| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32 | Very low | 38.4 | Very low | 156 Ų | 156 | 124.8 Ų | 124.8 | 77% | 0.768 | 64% | 0.638 | S | S | * | * | 0 | -47.6 | 0 | -76.5 | -166.6 | -131.8 | 0 | 0 | 113 | C3 C4 M33 | M1-C3 VanDerWaalsContact C-N 3.25Å; M1-C3 PolarHBondContact O-N 2.85Å; M1-C3 VanDerWaalsContact O-N 3.13Å; M1-C4 PolarHBondContact O-N 2.98Å; M1-C4 VanDerWaalsContact O-N 3.08Å; M1-M33 HydrophobicContact CE-SD 3.39Å; M1-M33 WeakPolarHBondContact CE-SD 3.43Å | |||
| 2 | V | 37.2 | Very low | 39.3 | Very low | 100 Ų | 100 | 116.1 Ų | 116.1 | 61% | 0.606 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -23.8 | -176.5 | -173.5 | 0 | 0 | 0 | 0 | 114.8 | C4 | V2-C4 PolarHBondContact O-N 3.46Š|
| 3 | C | 32 | Very low | 39.6 | Very low | 132 Ų | 132 | 110 Ų | 110 | 89% | 0.892 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -5 | 176.2 | -72.1 | 0 | 0 | 0 | 0 | 115.3 | M1 | M1-C3 VanDerWaalsContact C-N 3.25Å; M1-C3 PolarHBondContact O-N 2.85Å; M1-C3 VanDerWaalsContact O-N 3.13Å |
| 4 | C | 28.6 | Very low | 39.7 | Very low | 97 Ų | 97 | 108.3 Ų | 108.3 | 66% | 0.655 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -101.9 | 121.7 | -173.1 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | M1 V2 | M1-C4 PolarHBondContact O-N 2.98Å; M1-C4 VanDerWaalsContact O-N 3.08Å; V2-C4 PolarHBondContact O-N 3.46Å |
| 5 | R | 34.6 | Very low | 40.2 | Very low | 197 Ų | 197 | 103.3 Ų | 103.3 | 74% | 0.743 | 54% | 0.539 | S | S | * | . | trans | 86.7 | 73.5 | 172.6 | -56.1 | -175.9 | 176.1 | -179.4 | 3.4 | 117.1 | K7 E64 | R5-K7 PolarHBondContact O-N 3.39Å; R5-E64 IonicContact CZ-OE1 3.72Å; R5-E64 IonicContact NH1-OE1 3.25Å; R5-E64 PolarHBondContact NH1-OE1 3.32Å; R5-E64 IonicContact NH2-OE1 3.31Å | ||
| 6 | K | 34.8 | Very low | 40.6 | Very low | 223 Ų | 223 | 97.8 Ų | 97.8 | 97% | 0.97 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 4.1 | 160.1 | -89 | -172 | 175.8 | -176.7 | 0 | 115.2 | ||
| 7 | K | 39 | Very low | 40.4 | Very low | 183 Ų | 183 | 93.9 Ų | 93.9 | 80% | 0.796 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -20.8 | -170.4 | -100 | -173.1 | 175.7 | -176.3 | 0 | 114.9 | R5 | R5-K7 PolarHBondContact O-N 3.39Š|
| 8 | Y | 41.1 | Very low | 40.7 | Very low | 157 Ų | 157 | 94.5 Ų | 94.5 | 62% | 0.616 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -144.9 | 118.4 | 173.6 | -57.3 | -79.4 | 0 | 0 | 0 | 107.1 | S10 | Y8-S10 PolarHBondContact O-N 3.25Š|
| 9 | A | 43.4 | Very low | 40.9 | Very low | 74 Ų | 74 | 90.1 Ų | 90.1 | 61% | 0.612 | 48% | 0.475 | S | S | * | . | trans | -65.2 | 109.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | L14 | A9-L14 HydrophobicContact CB-CD1 4.03Å; A9-L14 HydrophobicContact CB-CG 4.37Å | ||
| 10 | S | 47.4 | Very low | 41.4 | Very low | 13 Ų | 13 | 91.2 Ų | 91.2 | 9% | 0.091 | 49% | 0.49 | C | S | . | . | trans | -69.2 | 137.6 | 177.4 | 144 | 0 | 0 | 0 | 0 | 109.4 | Y8 Y12 A13 L14 E61 | Y8-S10 PolarHBondContact O-N 3.25Å; S10-Y12 VanDerWaalsContact C-N 3.3Å; S10-Y12 PolarHBondContact O-N 3.15Å; S10-Y12 PolarHBondContact OG-N 3.38Å; S10-A13 VanDerWaalsContact CB-CB 3.48Å; S10-A13 CarbonylContact O-C 3.56Å; S10-A13 PolarHBondContact O-N 3.28Å; S10-A13 WeakPolarHBondContact OG-CB 3.22Å; S10-A13 PolarHBondContact OG-N 2.98Å; S10-L14 WeakPolarHBondContact O-CB 3.41Å; S10-L14 WeakPolarHBondContact O-CD1 3.46Å; S10-L14 VanDerWaalsContact O-CG 3.23Å; S10-L14 WeakPolarHBondContact O-CG 3.32Å; S10-L14 PolarHBondContact O-N 3.11Å; S10-E61 WeakPolarHBondContact CB-OE1 3.32Å; S10-E61 WeakPolarHBondContact CB-OE2 3.36Å; S10-E61 PolarHBondContact OG-OE1 3.41Å; S10-E61 PolarHBondContact OG-OE2 2.93Å | ||
| 11 | P | 52 | Low | 42.3 | Very low | 41 Ų | 41 | 88.5 Ų | 88.5 | 27% | 0.266 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -34.4 | 175.3 | 18.1 | -25.4 | 0 | 0 | 0 | 112.9 | L14 S15 | P11-L14 WeakPolarHBondContact O-CB 3.44Å; P11-L14 PolarHBondContact O-N 3.29Å; P11-S15 PolarHBondContact O-N 2.98Å |
| 12 | Y | 50.1 | Low | 44.4 | Very low | 20 Ų | 20 | 81.2 Ų | 81.2 | 8% | 0.078 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -80.2 | -31.7 | 175.6 | -60.1 | -69.4 | 0 | 0 | 0 | 112.7 | S10 L14 S15 I16 G17 M57 R485 | S10-Y12 VanDerWaalsContact C-N 3.3Å; S10-Y12 PolarHBondContact O-N 3.15Å; S10-Y12 PolarHBondContact OG-N 3.38Å; Y12-L14 PolarHBondContact O-N 3.37Å; Y12-S15 PolarHBondContact O-N 3.13Å; Y12-S15 PolarHBondContact O-OG 3.1Å; Y12-I16 PolarHBondContact O-N 3.32Å; Y12-G17 PolarHBondContact O-N 2.98Å; Y12-M57 HydrophobicContact CD1-CB 3.86Å; Y12-M57 HydrophobicContact CD2-CB 4.17Å; Y12-M57 HydrophobicContact CE1-CB 3.84Å; Y12-M57 HydrophobicContact CE1-CG 4.08Å; Y12-M57 HydrophobicContact CE2-CB 4.15Å; Y12-M57 HydrophobicContact CG-CB 4.03Å; Y12-R485 PolarHBondContact OH-NH1 3.5Å |
| 13 | A | 42.2 | Very low | 46.4 | Very low | 37 Ų | 37 | 83.9 Ų | 83.9 | 31% | 0.306 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73.1 | -9.9 | 167 | 0 | 0 | 0 | 0 | 0 | 112.1 | S10 G17 K18 L58 | S10-A13 VanDerWaalsContact CB-CB 3.48Å; S10-A13 CarbonylContact O-C 3.56Å; S10-A13 PolarHBondContact O-N 3.28Å; S10-A13 WeakPolarHBondContact OG-CB 3.22Å; S10-A13 PolarHBondContact OG-N 2.98Å; A13-G17 VanDerWaalsContact C-N 3.34Å; A13-G17 CarbonylContact O-C 3.51Å; A13-G17 WeakPolarHBondContact O-CA 3.31Å; A13-G17 PolarHBondContact O-N 3.07Å; A13-K18 PolarHBondContact O-N 2.94Å; A13-L58 HydrophobicContact CB-CD1 4.32Å |
| 14 | L | 41.3 | Very low | 48.9 | Very low | 86 Ų | 86 | 78.8 Ų | 78.8 | 45% | 0.45 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -87.6 | -38.2 | 167.6 | -78.1 | 161.4 | 0 | 0 | 0 | 110.7 | A9 S10 P11 Y12 | A9-L14 HydrophobicContact CB-CD1 4.03Å; A9-L14 HydrophobicContact CB-CG 4.37Å; S10-L14 WeakPolarHBondContact O-CB 3.41Å; S10-L14 WeakPolarHBondContact O-CD1 3.46Å; S10-L14 VanDerWaalsContact O-CG 3.23Å; S10-L14 WeakPolarHBondContact O-CG 3.32Å; S10-L14 PolarHBondContact O-N 3.11Å; P11-L14 WeakPolarHBondContact O-CB 3.44Å; P11-L14 PolarHBondContact O-N 3.29Å; Y12-L14 PolarHBondContact O-N 3.37Å |
| 15 | S | 47 | Very low | 51.6 | Low | 34 Ų | 34 | 74.3 Ų | 74.3 | 24% | 0.238 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -72.7 | -53.8 | 177.4 | 75.5 | 0 | 0 | 0 | 0 | 112.3 | P11 Y12 D54 | P11-S15 PolarHBondContact O-N 2.98Å; Y12-S15 PolarHBondContact O-N 3.13Å; Y12-S15 PolarHBondContact O-OG 3.1Å; S15-D54 PolarHBondContact OG-OD2 2.92Å |
| 16 | I | 46.7 | Very low | 54.1 | Low | 15 Ų | 15 | 67.9 Ų | 67.9 | 8% | 0.077 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -57.8 | 171.9 | -67.3 | 177.7 | 0 | 0 | 0 | 108.8 | Y12 K18 S19 A25 D54 L55 L58 | Y12-I16 PolarHBondContact O-N 3.32Å; I16-K18 CarbonylContact O-C 3.47Å; I16-K18 PolarHBondContact O-N 2.88Å; I16-S19 VanDerWaalsContact C-OG 3.31Å; I16-S19 WeakPolarHBondContact CG2-OG 3.33Å; I16-S19 WeakPolarHBondContact O-CA 3.22Å; I16-S19 WeakPolarHBondContact O-CB 3.31Å; I16-S19 PolarHBondContact O-N 3.43Å; I16-S19 PolarHBondContact O-OG 3.08Å; I16-A25 HydrophobicContact CG2-CB 4.35Å; I16-D54 HydrophobicContact CD1-CB 3.4Å; I16-D54 VanDerWaalsContact CD1-CB 3.4Å; I16-D54 WeakPolarHBondContact CD1-O 3.29Å; I16-D54 HydrophobicContact CG1-CB 3.79Å; I16-L55 HydrophobicContact CD1-CB 4.37Å; I16-L55 HydrophobicContact CD1-CD2 3.92Å; I16-L55 HydrophobicContact CD1-CG 3.91Å; I16-L55 VanDerWaalsContact CD1-N 3.34Å; I16-L58 HydrophobicContact CB-CD2 3.87Å; I16-L58 HydrophobicContact CD1-CB 4.4Å; I16-L58 HydrophobicContact CD1-CD2 4.17Å; I16-L58 HydrophobicContact CG2-CD2 3.54Å |
| 17 | G | 38.2 | Very low | 56.7 | Low | 31 Ų | 31 | 61.2 Ų | 61.2 | 32% | 0.32 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 3.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | Y12 A13 S19 | Y12-G17 PolarHBondContact O-N 2.98Å; A13-G17 VanDerWaalsContact C-N 3.34Å; A13-G17 CarbonylContact O-C 3.51Å; A13-G17 WeakPolarHBondContact O-CA 3.31Å; A13-G17 PolarHBondContact O-N 3.07Å; G17-S19 WeakPolarHBondContact CA-OG 3.47Å; G17-S19 PolarHBondContact O-N 3.49Å; G17-S19 VanDerWaalsContact O-N 3.16Å |
| 18 | K | 45.2 | Very low | 59.2 | Low | 105 Ų | 105 | 52.8 Ų | 52.8 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -15.3 | 148.1 | -78.4 | -177.5 | 179.5 | 180 | 0 | 111.3 | A13 I16 S20 Y21 | A13-K18 PolarHBondContact O-N 2.94Å; I16-K18 CarbonylContact O-C 3.47Å; I16-K18 PolarHBondContact O-N 2.88Å; K18-S20 VanDerWaalsContact C-N 3.31Å; K18-S20 PolarHBondContact O-N 3.33Å; K18-Y21 WeakPolarHBondContact O-CD1 2.96Å |
| 19 | S | 44.3 | Very low | 61.5 | Low | 11 Ų | 11 | 46.5 Ų | 46.5 | 8% | 0.077 | 27% | 0.265 | C | S | . | . | trans | -70.8 | 53.7 | 176.2 | 70.8 | 0 | 0 | 0 | 0 | 115.5 | I16 G17 Y21 | I16-S19 VanDerWaalsContact C-OG 3.31Å; I16-S19 WeakPolarHBondContact CG2-OG 3.33Å; I16-S19 WeakPolarHBondContact O-CA 3.22Å; I16-S19 WeakPolarHBondContact O-CB 3.31Å; I16-S19 PolarHBondContact O-N 3.43Å; I16-S19 PolarHBondContact O-OG 3.08Å; G17-S19 WeakPolarHBondContact CA-OG 3.47Å; G17-S19 PolarHBondContact O-N 3.49Å; G17-S19 VanDerWaalsContact O-N 3.16Å; S19-Y21 PolarHBondContact O-N 3.35Å | ||
| 20 | S | 51.4 | Low | 63.8 | Low | 112 Ų | 112 | 47.3 Ų | 47.3 | 78% | 0.783 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -61.5 | -17.9 | 147 | 69 | 0 | 0 | 0 | 0 | 111.1 | K18 | K18-S20 VanDerWaalsContact C-N 3.31Å; K18-S20 PolarHBondContact O-N 3.33Å |
| 21 | Y | 59.9 | Low | 66 | Low | 35 Ų | 35 | 48.5 Ų | 48.5 | 14% | 0.137 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -90.7 | -29.4 | -175 | 71.8 | -93.8 | 0 | 0 | 0 | 115.6 | K18 S19 R23 P205 D209 L210 H213 | K18-Y21 WeakPolarHBondContact O-CD1 2.96Å; S19-Y21 PolarHBondContact O-N 3.35Å; Y21-R23 PolarHBondContact O-N 3.19Å; Y21-R23 VanDerWaalsContact O-N 3.1Å; Y21-P205 HydrophobicContact CE2-CB 4.48Å; Y21-D209 HydrophobicContact CD2-CB 4.31Å; Y21-L210 HydrophobicContact CE2-CD1 4.07Å; Y21-H213 HydrophobicContact CD1-CB 3.75Å; Y21-H213 AromaticContact CD1-CD2 3.8Å; Y21-H213 AromaticContact CD1-CE1 3.9Å; Y21-H213 AromaticContact CD1-CG 3.36Å; Y21-H213 AromaticContact CD1-ND1 3.44Å; Y21-H213 WeakPolarHBondContact CD1-ND1 3.22Å; Y21-H213 HydrophobicContact CD2-CB 4.18Å; Y21-H213 HydrophobicContact CE1-CB 4.12Å; Y21-H213 AromaticContact CE1-CD2 3.35Å; Y21-H213 WeakPolarHBondContact CE1-CD2 3Å; Y21-H213 AromaticContact CE1-CE1 3.78Å; Y21-H213 AromaticContact CE1-CG 3.45Å; Y21-H213 VanDerWaalsContact CE1-CG 3.45Å; Y21-H213 AromaticContact CE1-ND1 3.73Å; Y21-H213 AromaticContact CE1-NE2 3.57Å; Y21-H213 HydrophobicContact CG-CB 3.79Å; Y21-H213 AromaticContact CG-CG 3.96Å; Y21-H213 AromaticContact CZ-CD2 3.8Å |
| 22 | D | 76 | Confident | 68 | Low | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.011 | 25% | 0.248 | C | C | . | . | trans | -85.3 | 90.2 | -171.4 | -165.9 | -15 | 0 | 0 | 0 | 112.7 | N24 A25 I26 R51 | D22-N24 PolarHBondContact O-N 3.04Å; D22-N24 WeakPolarHBondContact OD1-CB 3.5Å; D22-N24 PolarHBondContact OD1-N 3.36Å; D22-A25 HydrophobicContact CB-CB 3.99Å; D22-A25 PolarHBondContact O-N 3Å; D22-A25 PolarHBondContact OD1-N 3.48Å; D22-A25 VanDerWaalsContact OD1-N 3.16Å; D22-I26 PolarHBondContact O-N 2.96Å; D22-R51 IonicContact OD1-NH2 2.68Å; D22-R51 IonicContact OD2-CZ 2.7Å; D22-R51 IonicContact OD2-NH1 2.72Å; D22-R51 PolarHBondContact OD2-NH1 3.16Å; D22-R51 IonicContact OD2-NH2 2.72Å; D22-R51 PolarHBondContact OD2-NH2 2.86Å | ||
| 23 | R | 79 | Confident | 70.1 | Confident | 157 Ų | 157 | 49 Ų | 49 | 59% | 0.592 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.9 | -31.4 | 177.2 | -67.3 | -179.4 | 179.5 | -177.4 | 2 | 112.9 | Y21 I26 L27 | Y21-R23 PolarHBondContact O-N 3.19Å; Y21-R23 VanDerWaalsContact O-N 3.1Å; R23-I26 PolarHBondContact O-N 3.2Å; R23-L27 WeakPolarHBondContact O-CG 3.31Å; R23-L27 PolarHBondContact O-N 3.44Å |
| 24 | N | 85.6 | Confident | 72.6 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 13% | 0.134 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.2 | -43.5 | -178.7 | -71 | -18.7 | 0 | 0 | 0 | 110.3 | D22 I26 L27 D28 L204 | D22-N24 PolarHBondContact O-N 3.04Å; D22-N24 WeakPolarHBondContact OD1-CB 3.5Å; D22-N24 PolarHBondContact OD1-N 3.36Å; N24-I26 VanDerWaalsContact C-N 3.29Å; N24-I26 PolarHBondContact O-N 3.25Å; N24-L27 WeakPolarHBondContact O-CB 3.36Å; N24-L27 PolarHBondContact O-N 3.06Å; N24-D28 PolarHBondContact O-N 3.2Å; N24-L204 PolarHBondContact ND2-O 3.21Å |
| 25 | A | 84.9 | Confident | 75.1 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.5 | -41.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | I16 D22 L27 D28 L29 L55 | I16-A25 HydrophobicContact CG2-CB 4.35Å; D22-A25 HydrophobicContact CB-CB 3.99Å; D22-A25 PolarHBondContact O-N 3Å; D22-A25 PolarHBondContact OD1-N 3.48Å; D22-A25 VanDerWaalsContact OD1-N 3.16Å; A25-L27 PolarHBondContact O-N 2.97Å; A25-D28 PolarHBondContact O-N 3.17Å; A25-L29 WeakPolarHBondContact O-CG 3.18Å; A25-L29 PolarHBondContact O-N 3.29Å; A25-L55 HydrophobicContact CB-CD2 3.82Å |
| 26 | I | 85.6 | Confident | 77.3 | Confident | 63 Ų | 63 | 50.6 Ų | 50.6 | 32% | 0.323 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 176.5 | -63.2 | 172.7 | 0 | 0 | 0 | 111.2 | D22 R23 N24 D28 L29 Q30 | D22-I26 PolarHBondContact O-N 2.96Å; R23-I26 PolarHBondContact O-N 3.2Å; N24-I26 VanDerWaalsContact C-N 3.29Å; N24-I26 PolarHBondContact O-N 3.25Å; I26-D28 VanDerWaalsContact C-N 3.29Å; I26-D28 PolarHBondContact O-N 3.11Å; I26-L29 PolarHBondContact O-N 2.85Å; I26-Q30 WeakPolarHBondContact O-CB 3.41Å; I26-Q30 VanDerWaalsContact O-CG 3.29Å; I26-Q30 WeakPolarHBondContact O-CG 3.26Å; I26-Q30 PolarHBondContact O-N 2.59Å |
| 27 | L | 89.7 | Confident | 79.5 | Confident | 83 Ų | 83 | 54.5 Ų | 54.5 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.6 | -34.7 | 177.4 | -67.3 | 171.2 | 0 | 0 | 0 | 111.8 | R23 N24 A25 W31 R200 | R23-L27 WeakPolarHBondContact O-CG 3.31Å; R23-L27 PolarHBondContact O-N 3.44Å; N24-L27 WeakPolarHBondContact O-CB 3.36Å; N24-L27 PolarHBondContact O-N 3.06Å; A25-L27 PolarHBondContact O-N 2.97Å; L27-W31 WeakPolarHBondContact O-CB 3.5Å; L27-W31 PolarHBondContact O-N 3.32Å; L27-W31 VanDerWaalsContact O-N 3.09Å; L27-R200 PolarHBondContact O-NH1 3.03Å; L27-R200 PolarHBondContact O-NH2 2.88Å |
| 28 | D | 91.5 | Very high | 82.1 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.032 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.3 | -46.2 | 176.8 | -64 | -21.2 | 0 | 0 | 0 | 110.7 | N24 A25 I26 Q30 W31 L32 L55 R200 | N24-D28 PolarHBondContact O-N 3.2Å; A25-D28 PolarHBondContact O-N 3.17Å; I26-D28 VanDerWaalsContact C-N 3.29Å; I26-D28 PolarHBondContact O-N 3.11Å; D28-Q30 PolarHBondContact O-N 2.68Å; D28-W31 WeakPolarHBondContact O-CB 3.5Å; D28-W31 PolarHBondContact O-N 3.39Å; D28-W31 VanDerWaalsContact O-N 3.11Å; D28-L32 PolarHBondContact O-N 2.79Å; D28-L55 HydrophobicContact CB-CD1 4.16Å; D28-L55 HydrophobicContact CB-CD2 4.3Å; D28-R200 IonicContact OD1-CZ 3.73Å; D28-R200 IonicContact OD1-NE 2.82Å; D28-R200 PolarHBondContact OD1-NE 3.3Å; D28-R200 IonicContact OD1-NH2 2.97Å; D28-R200 PolarHBondContact OD1-NH2 2.81Å |
| 29 | L | 90.7 | Very high | 84.2 | Confident | 24 Ų | 24 | 57 Ų | 57 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 173.9 | -70.8 | 173.2 | 0 | 0 | 0 | 112.2 | A25 I26 W31 L32 M33 L55 L58 L62 | A25-L29 WeakPolarHBondContact O-CG 3.18Å; A25-L29 PolarHBondContact O-N 3.29Å; I26-L29 PolarHBondContact O-N 2.85Å; L29-W31 PolarHBondContact O-N 2.72Å; L29-L32 PolarHBondContact O-N 2.69Å; L29-M33 WeakPolarHBondContact O-CB 3.32Å; L29-M33 PolarHBondContact O-N 3.21Å; L29-L55 WeakPolarHBondContact CD2-O 3.32Å; L29-L55 HydrophobicContact CG-CD2 4.44Å; L29-L58 HydrophobicContact CD1-CD2 3.84Å; L29-L58 HydrophobicContact CD1-CG 4.42Å; L29-L58 HydrophobicContact CD2-CD2 4.42Å; L29-L58 HydrophobicContact CD2-CG 4.41Å; L29-L62 HydrophobicContact CD1-CD1 4.36Å |
| 30 | Q | 91.2 | Very high | 86.4 | Confident | 91 Ų | 91 | 60 Ų | 60 | 43% | 0.425 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.2 | -34.6 | 175 | -77.6 | 179.5 | 5.5 | 0 | 0 | 112 | I26 D28 K34 | I26-Q30 WeakPolarHBondContact O-CB 3.41Å; I26-Q30 VanDerWaalsContact O-CG 3.29Å; I26-Q30 WeakPolarHBondContact O-CG 3.26Å; I26-Q30 PolarHBondContact O-N 2.59Å; D28-Q30 PolarHBondContact O-N 2.68Å; Q30-K34 VanDerWaalsContact O-CG 3.25Å; Q30-K34 WeakPolarHBondContact O-CG 3.25Å; Q30-K34 PolarHBondContact O-N 3.31Å |
| 31 | W | 94.5 | Very high | 88.4 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 15% | 0.148 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -75.2 | -42.4 | 178 | 177.3 | 97.4 | 0 | 0 | 0 | 112.3 | L27 D28 L29 M33 K34 K35 A42 L44 Q198 R200 | L27-W31 WeakPolarHBondContact O-CB 3.5Å; L27-W31 PolarHBondContact O-N 3.32Å; L27-W31 VanDerWaalsContact O-N 3.09Å; D28-W31 WeakPolarHBondContact O-CB 3.5Å; D28-W31 PolarHBondContact O-N 3.39Å; D28-W31 VanDerWaalsContact O-N 3.11Å; L29-W31 PolarHBondContact O-N 2.72Å; W31-M33 VanDerWaalsContact C-N 3.29Å; W31-M33 PolarHBondContact O-N 3.36Å; W31-K34 PolarHBondContact O-N 3.23Å; W31-K34 VanDerWaalsContact O-N 3.16Å; W31-K35 HydrophobicContact CD2-CG 4Å; W31-K35 HydrophobicContact CE3-CG 4.2Å; W31-K35 HydrophobicContact CH2-CG 4.09Å; W31-K35 HydrophobicContact CZ2-CD 4.14Å; W31-K35 HydrophobicContact CZ2-CG 3.9Å; W31-K35 HydrophobicContact CZ3-CG 4.23Å; W31-K35 VanDerWaalsContact O-CG 3.3Å; W31-K35 WeakPolarHBondContact O-CG 3.36Å; W31-K35 PolarHBondContact O-N 2.97Å; W31-A42 HydrophobicContact CH2-CB 3.78Å; W31-A42 HydrophobicContact CZ3-CB 3.8Å; W31-L44 HydrophobicContact CE3-CD2 4.35Å; W31-L44 HydrophobicContact CH2-CD2 4.46Å; W31-L44 HydrophobicContact CZ3-CD2 3.71Å; W31-Q198 VanDerWaalsContact CH2-O 3.23Å; W31-Q198 WeakPolarHBondContact CH2-O 3.42Å; W31-Q198 HydrophobicContact CZ2-CB 4.21Å; W31-R200 HydrophobicContact CD2-CB 4.09Å; W31-R200 HydrophobicContact CD2-CG 4.37Å; W31-R200 HydrophobicContact CE3-CB 4.05Å; W31-R200 HydrophobicContact CE3-CG 4.47Å; W31-R200 VanDerWaalsContact CG-NH1 3.26Å; W31-R200 HydrophobicContact CH2-CB 3.69Å; W31-R200 HydrophobicContact CZ2-CB 3.7Å; W31-R200 HydrophobicContact CZ3-CB 3.86Å |
| 32 | L | 93.5 | Very high | 90.1 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56 | -46.9 | 171.8 | -76.3 | 171.7 | 0 | 0 | 0 | 110.7 | D28 L29 K34 K35 D36 A42 L44 V56 Y59 | D28-L32 PolarHBondContact O-N 2.79Å; L29-L32 PolarHBondContact O-N 2.69Å; L32-K34 PolarHBondContact O-N 2.68Å; L32-K35 PolarHBondContact O-N 3.32Å; L32-K35 VanDerWaalsContact O-N 3.11Å; L32-D36 PolarHBondContact O-N 3.42Å; L32-A42 HydrophobicContact CD2-CB 4.18Å; L32-L44 HydrophobicContact CD1-CD1 4.41Å; L32-L44 HydrophobicContact CD2-CD1 4.46Å; L32-L44 HydrophobicContact CD2-CD2 4.36Å; L32-V56 HydrophobicContact CD1-CG2 4.42Å; L32-Y59 HydrophobicContact CB-CD1 4.45Å; L32-Y59 HydrophobicContact CB-CD2 4.04Å; L32-Y59 HydrophobicContact CB-CE2 4.35Å; L32-Y59 HydrophobicContact CB-CG 4.1Å; L32-Y59 HydrophobicContact CD1-CG 4.3Å |
| 33 | M | 93 | Very high | 91 | Very high | 65 Ų | 65 | 54.2 Ų | 54.2 | 32% | 0.32 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 175.7 | -169.6 | -173.5 | 73.7 | 0 | 0 | 112.4 | M1 L29 W31 K35 D36 C37 Y59 | M1-M33 HydrophobicContact CE-SD 3.39Å; M1-M33 WeakPolarHBondContact CE-SD 3.43Å; L29-M33 WeakPolarHBondContact O-CB 3.32Å; L29-M33 PolarHBondContact O-N 3.21Å; W31-M33 VanDerWaalsContact C-N 3.29Å; W31-M33 PolarHBondContact O-N 3.36Å; M33-K35 VanDerWaalsContact C-N 3.28Å; M33-K35 PolarHBondContact O-N 3.45Å; M33-D36 PolarHBondContact O-N 3.46Å; M33-C37 WeakPolarHBondContact O-CB 3.31Å; M33-C37 PolarHBondContact O-N 2.87Å; M33-C37 PolarHBondContact O-SG 3.24Å; M33-Y59 HydrophobicContact CB-CE2 3.8Å; M33-Y59 HydrophobicContact CG-CE2 4.33Å |
| 34 | K | 94.8 | Very high | 91.7 | Very high | 128 Ų | 128 | 46.8 Ų | 46.8 | 56% | 0.557 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -61.1 | -37.6 | 177 | -77.8 | 172.6 | -177.2 | -178.7 | 0 | 112 | Q30 W31 L32 I38 | Q30-K34 VanDerWaalsContact O-CG 3.25Å; Q30-K34 WeakPolarHBondContact O-CG 3.25Å; Q30-K34 PolarHBondContact O-N 3.31Å; W31-K34 PolarHBondContact O-N 3.23Å; W31-K34 VanDerWaalsContact O-N 3.16Å; L32-K34 PolarHBondContact O-N 2.68Å; K34-I38 VanDerWaalsContact O-CG1 3.31Å; K34-I38 WeakPolarHBondContact O-CG1 3.14Å; K34-I38 PolarHBondContact O-N 2.98Å |
| 35 | K | 94.4 | Very high | 92.1 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.5 | -41.9 | 179.4 | -66.1 | -67.4 | 159.8 | -160.8 | 0 | 111.9 | W31 L32 M33 I38 N39 Q40 Q198 | W31-K35 HydrophobicContact CD2-CG 4Å; W31-K35 HydrophobicContact CE3-CG 4.2Å; W31-K35 HydrophobicContact CH2-CG 4.09Å; W31-K35 HydrophobicContact CZ2-CD 4.14Å; W31-K35 HydrophobicContact CZ2-CG 3.9Å; W31-K35 HydrophobicContact CZ3-CG 4.23Å; W31-K35 VanDerWaalsContact O-CG 3.3Å; W31-K35 WeakPolarHBondContact O-CG 3.36Å; W31-K35 PolarHBondContact O-N 2.97Å; L32-K35 PolarHBondContact O-N 3.32Å; L32-K35 VanDerWaalsContact O-N 3.11Å; M33-K35 VanDerWaalsContact C-N 3.28Å; M33-K35 PolarHBondContact O-N 3.45Å; K35-I38 HydrophobicContact CD-CD1 4.42Å; K35-I38 WeakPolarHBondContact O-CG1 3.28Å; K35-I38 PolarHBondContact O-N 2.82Å; K35-N39 PolarHBondContact O-N 2.82Å; K35-Q40 HydrophobicContact CB-CB 4.46Å; K35-Q40 HydrophobicContact CD-CB 4.12Å; K35-Q40 PolarHBondContact O-N 3.04Å; K35-Q198 HydrophobicContact CD-CB 4.11Å; K35-Q198 HydrophobicContact CD-CG 4.42Å |
| 36 | D | 93 | Very high | 92.3 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.9 | -48.2 | 174.4 | -170.1 | 14.5 | 0 | 0 | 0 | 112 | L32 M33 I38 N39 Y59 F108 R173 | L32-D36 PolarHBondContact O-N 3.42Å; M33-D36 PolarHBondContact O-N 3.46Å; D36-I38 PolarHBondContact O-N 2.84Å; D36-I38 VanDerWaalsContact O-N 3.09Å; D36-N39 PolarHBondContact O-N 2.9Å; D36-N39 PolarHBondContact O-OD1 3.13Å; D36-Y59 HydrophobicContact CB-CE1 4.47Å; D36-Y59 WeakPolarHBondContact CB-OH 3.4Å; D36-Y59 PolarHBondContact OD2-OH 2.85Å; D36-F108 HydrophobicContact CB-CZ 4.47Å; D36-R173 IonicContact OD1-NE 2.79Å |
| 37 | C | 93 | Very high | 92.4 | Very high | 97 Ų | 97 | 46.3 Ų | 46.3 | 66% | 0.655 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -58.2 | -25.8 | 178 | -71.1 | 0 | 0 | 0 | 0 | 114.8 | M33 | M33-C37 WeakPolarHBondContact O-CB 3.31Å; M33-C37 PolarHBondContact O-N 2.87Å; M33-C37 PolarHBondContact O-SG 3.24Å |
| 38 | I | 92.2 | Very high | 92.3 | Very high | 93 Ų | 93 | 43.1 Ų | 43.1 | 48% | 0.477 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 13.9 | 178 | 66 | -175.8 | 0 | 0 | 0 | 112.6 | K34 K35 D36 Q40 | K34-I38 VanDerWaalsContact O-CG1 3.31Å; K34-I38 WeakPolarHBondContact O-CG1 3.14Å; K34-I38 PolarHBondContact O-N 2.98Å; K35-I38 HydrophobicContact CD-CD1 4.42Å; K35-I38 WeakPolarHBondContact O-CG1 3.28Å; K35-I38 PolarHBondContact O-N 2.82Å; D36-I38 PolarHBondContact O-N 2.84Å; D36-I38 VanDerWaalsContact O-N 3.09Å; I38-Q40 VanDerWaalsContact C-N 3.32Å; I38-Q40 HydrophobicContact CD1-CB 4.49Å; I38-Q40 VanDerWaalsContact CD1-CD 3.42Å; I38-Q40 HydrophobicContact CD1-CG 4.06Å; I38-Q40 HydrophobicContact CG1-CB 4.07Å; I38-Q40 HydrophobicContact CG1-CG 3.82Å; I38-Q40 PolarHBondContact O-N 3.43Å |
| 39 | N | 89.4 | Confident | 92.1 | Very high | 95 Ų | 95 | 43.1 Ų | 43.1 | 51% | 0.508 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 37.7 | 177.1 | -52.1 | -21.1 | 0 | 0 | 0 | 114.4 | K35 D36 R173 | K35-N39 PolarHBondContact O-N 2.82Å; D36-N39 PolarHBondContact O-N 2.9Å; D36-N39 PolarHBondContact O-OD1 3.13Å; N39-R173 PolarHBondContact OD1-NH2 3.08Å |
| 40 | Q | 91.1 | Very high | 91.9 | Very high | 74 Ų | 74 | 43.4 Ų | 43.4 | 35% | 0.346 | 22% | 0.219 | S | C | . | . | trans | -103.8 | 138.4 | -179.4 | -78.5 | -178 | -6.7 | 0 | 0 | 112.4 | K35 I38 | K35-Q40 HydrophobicContact CB-CB 4.46Å; K35-Q40 HydrophobicContact CD-CB 4.12Å; K35-Q40 PolarHBondContact O-N 3.04Å; I38-Q40 VanDerWaalsContact C-N 3.32Å; I38-Q40 HydrophobicContact CD1-CB 4.49Å; I38-Q40 VanDerWaalsContact CD1-CD 3.42Å; I38-Q40 HydrophobicContact CD1-CG 4.06Å; I38-Q40 HydrophobicContact CG1-CB 4.07Å; I38-Q40 HydrophobicContact CG1-CG 3.82Å; I38-Q40 PolarHBondContact O-N 3.43Å | ||
| 41 | D | 94.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | trans | -75.1 | 144 | 171 | -63.8 | -21.3 | 0 | 0 | 0 | 110.7 | R132 V174 F197 Q198 | D41-R132 IonicContact OD1-CZ 2.68Å; D41-R132 IonicContact OD1-NH1 3.11Å; D41-R132 IonicContact OD1-NH2 2.72Å; D41-R132 PolarHBondContact OD1-NH2 3.34Å; D41-R132 IonicContact OD2-CZ 3.11Å; D41-R132 VanDerWaalsContact OD2-CZ 3.31Å; D41-R132 IonicContact OD2-NH1 3.69Å; D41-R132 PolarHBondContact OD2-NH1 3.16Å; D41-R132 IonicContact OD2-NH2 3.39Å; D41-R132 PolarHBondContact OD2-NH2 2.82Å; D41-V174 WeakPolarHBondContact CA-O 3.45Å; D41-V174 HydrophobicContact CB-CB 4.23Å; D41-V174 WeakPolarHBondContact CB-O 3.39Å; D41-V174 PolarHBondContact OD1-N 2.89Å; D41-F197 HydrophobicContact CB-CD1 3.92Å; D41-F197 HydrophobicContact CB-CE1 4.07Å; D41-Q198 PolarHBondContact O-N 3.49Å | ||
| 42 | A | 95.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 150.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W31 L32 V174 V175 A176 F197 | W31-A42 HydrophobicContact CH2-CB 3.78Å; W31-A42 HydrophobicContact CZ3-CB 3.8Å; L32-A42 HydrophobicContact CD2-CB 4.18Å; A42-V174 PolarHBondContact N-O 2.67Å; A42-V175 HydrophobicContact CB-CG1 4.48Å; A42-V175 HydrophobicContact CB-CG2 4.43Å; A42-V175 CarbonylContact O-C 3.49Å; A42-V175 WeakPolarHBondContact O-CA 3.38Å; A42-A176 PolarHBondContact O-N 3.28Å; A42-F197 WeakPolarHBondContact O-CD1 3.45Å |
| 43 | Y | 94.5 | Very high | 91.5 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 118.6 | 172 | -174.5 | -148.9 | 0 | 0 | 0 | 110.9 | L45 V114 A176 L189 F197 Q198 A199 R200 | Y43-L45 HydrophobicContact CD1-CD2 4.17Å; Y43-L45 HydrophobicContact CD1-CG 4.24Å; Y43-L45 HydrophobicContact CE1-CD2 3.53Å; Y43-L45 HydrophobicContact CE1-CG 4.1Å; Y43-L45 HydrophobicContact CE2-CD2 4.31Å; Y43-V114 HydrophobicContact CE2-CG2 4.33Å; Y43-A176 WeakPolarHBondContact CA-O 3.44Å; Y43-A176 HydrophobicContact CD2-CB 3.29Å; Y43-A176 WeakPolarHBondContact CD2-O 3.45Å; Y43-A176 HydrophobicContact CE2-CB 3.76Å; Y43-A176 HydrophobicContact CG-CB 4.15Å; Y43-L189 HydrophobicContact CD1-CD1 4.18Å; Y43-L189 HydrophobicContact CE1-CD1 3.35Å; Y43-F197 HydrophobicContact CG-CB 4.46Å; Y43-Q198 PolarHBondContact N-O 2.94Å; Y43-A199 HydrophobicContact CD1-CB 4.31Å; Y43-A199 CarbonylContact O-C 3.08Å; Y43-A199 WeakPolarHBondContact O-CA 3.42Å; Y43-R200 PolarHBondContact O-N 3.33Å |
| 44 | L | 94.7 | Very high | 91.3 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 115.8 | 178.2 | -61.2 | -174.2 | 0 | 0 | 0 | 110.3 | W31 L32 V56 A176 L177 G178 R200 V202 | W31-L44 HydrophobicContact CE3-CD2 4.35Å; W31-L44 HydrophobicContact CH2-CD2 4.46Å; W31-L44 HydrophobicContact CZ3-CD2 3.71Å; L32-L44 HydrophobicContact CD1-CD1 4.41Å; L32-L44 HydrophobicContact CD2-CD1 4.46Å; L32-L44 HydrophobicContact CD2-CD2 4.36Å; L44-V56 HydrophobicContact CD1-CG2 3.41Å; L44-V56 VanDerWaalsContact CD1-CG2 3.41Å; L44-V56 HydrophobicContact CG-CG2 4.5Å; L44-A176 PolarHBondContact N-O 3.42Å; L44-L177 HydrophobicContact CB-CD2 3.91Å; L44-L177 HydrophobicContact CD1-CD2 4.09Å; L44-L177 HydrophobicContact CG-CD2 4.33Å; L44-G178 PolarHBondContact O-N 3.38Å; L44-R200 WeakPolarHBondContact CA-O 3.32Å; L44-R200 HydrophobicContact CD2-CB 4.17Å; L44-V202 HydrophobicContact CB-CG2 4.04Å; L44-V202 HydrophobicContact CD1-CG2 4.27Å; L44-V202 HydrophobicContact CD2-CG2 4.21Å; L44-V202 HydrophobicContact CG-CG2 4.41Å |
| 45 | L | 92.5 | Very high | 91 | Very high | 38 Ų | 38 | 30.7 Ų | 30.7 | 20% | 0.199 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 148.8 | 173.6 | -67 | 171.9 | 0 | 0 | 0 | 109.7 | Y43 G178 A199 R200 L201 V202 | Y43-L45 HydrophobicContact CD1-CD2 4.17Å; Y43-L45 HydrophobicContact CD1-CG 4.24Å; Y43-L45 HydrophobicContact CE1-CD2 3.53Å; Y43-L45 HydrophobicContact CE1-CG 4.1Å; Y43-L45 HydrophobicContact CE2-CD2 4.31Å; L45-G178 WeakPolarHBondContact CA-O 3.26Å; L45-A199 HydrophobicContact CD1-CB 4.34Å; L45-R200 PolarHBondContact N-O 3.39Å; L45-L201 HydrophobicContact CB-CD1 4.09Å; L45-L201 CarbonylContact O-C 3.38Å; L45-L201 WeakPolarHBondContact O-CA 3.24Å; L45-V202 PolarHBondContact O-N 3.24Å |
| 46 | G | 89.8 | Confident | 90.9 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | trans | 173.6 | -178.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | L179 P180 | G46-L179 WeakPolarHBondContact O-CD2 3.19Å; G46-P180 WeakPolarHBondContact O-CD 3.31Å | ||
| 47 | Q | 88.4 | Confident | 90.8 | Very high | 38 Ų | 38 | 28 Ų | 28 | 18% | 0.178 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -69.1 | 158.9 | 178.8 | -54.5 | -168.6 | -36 | 0 | 0 | 111.3 | R52 Y184 | Q47-R52 PolarHBondContact O-NE 3.22Å; Q47-R52 VanDerWaalsContact O-NE 3.14Å; Q47-R52 PolarHBondContact O-NH2 2.89Å; Q47-R52 VanDerWaalsContact O-NH2 3.13Å; Q47-Y184 WeakPolarHBondContact CG-OH 3.42Å |
| 48 | P | 87.7 | Confident | 90.6 | Very high | 17 Ų | 17 | 24 Ų | 24 | 11% | 0.11 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -52.9 | 142 | 168.1 | -25.1 | 34.6 | 0 | 0 | 0 | 111.4 | L179 Y184 E534 | P48-L179 HydrophobicContact CB-CD2 4.41Å; P48-L179 HydrophobicContact CG-CD1 4.39Å; P48-L179 HydrophobicContact CG-CD2 3.86Å; P48-Y184 VanDerWaalsContact CD-CE1 3.45Å; P48-Y184 VanDerWaalsContact CD-CZ 3.47Å; P48-Y184 HydrophobicContact CG-CD1 3.91Å; P48-Y184 HydrophobicContact CG-CE1 3.86Å; P48-Y184 HydrophobicContact CG-CG 4.46Å; P48-E534 HydrophobicContact CB-CB 4.44Å; P48-E534 HydrophobicContact CB-CG 3.98Å; P48-E534 HydrophobicContact CG-CG 3.89Å |
| 49 | G | 85.6 | Confident | 90.6 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 5% | 0.052 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 129.2 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D252 | G49-D252 VanDerWaalsContact C-OD2 3.3Å; G49-D252 WeakPolarHBondContact CA-OD2 3.39Å |
| 50 | R | 86.9 | Confident | 90.7 | Very high | 31 Ų | 31 | 16.3 Ų | 16.3 | 12% | 0.117 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -81.1 | -19.9 | -173.1 | 70.1 | 177.4 | -179.8 | -142.2 | -4.8 | 114.5 | R52 R53 D54 D252 H468 | R50-R52 VanDerWaalsContact C-N 3.31Å; R50-R52 PolarHBondContact O-N 3.29Å; R50-R52 VanDerWaalsContact O-N 3.1Å; R50-R53 CarbonylContact O-C 3.59Å; R50-R53 WeakPolarHBondContact O-CA 3.41Å; R50-R53 VanDerWaalsContact O-CB 3.29Å; R50-R53 WeakPolarHBondContact O-CB 3.3Å; R50-R53 PolarHBondContact O-N 3.29Å; R50-D54 WeakPolarHBondContact CD-OD2 3.42Å; R50-D54 IonicContact NE-OD2 3.37Å; R50-D54 PolarHBondContact O-N 2.97Å; R50-D252 PolarHBondContact N-OD2 3.09Å; R50-H468 HydrophobicContact CB-CB 4.32Å |
| 51 | R | 87.7 | Confident | 90.4 | Very high | 39 Ų | 39 | 15.6 Ų | 15.6 | 15% | 0.147 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -50.1 | -42.9 | -171.4 | -174 | 174.5 | 172 | 91.3 | -1 | 115.1 | D22 D54 L55 V202 A203 P205 | D22-R51 IonicContact OD1-NH2 2.68Å; D22-R51 IonicContact OD2-CZ 2.7Å; D22-R51 IonicContact OD2-NH1 2.72Å; D22-R51 PolarHBondContact OD2-NH1 3.16Å; D22-R51 IonicContact OD2-NH2 2.72Å; D22-R51 PolarHBondContact OD2-NH2 2.86Å; R51-D54 PolarHBondContact O-N 2.82Å; R51-L55 WeakPolarHBondContact O-CG 3.32Å; R51-L55 PolarHBondContact O-N 2.62Å; R51-V202 HydrophobicContact CG-CG1 4.18Å; R51-A203 PolarHBondContact NE-O 3.25Å; R51-A203 VanDerWaalsContact NE-O 3.14Å; R51-A203 PolarHBondContact NH2-O 2.78Å; R51-P205 VanDerWaalsContact CZ-CD 3.45Å; R51-P205 VanDerWaalsContact NH1-CG 3.32Å |
| 52 | R | 91.4 | Very high | 90.1 | Very high | 11 Ų | 11 | 19 Ų | 19 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.5 | -72.9 | 175.1 | -79.8 | 147.6 | 12.6 | 111.6 | Q47 R50 V56 L177 G178 L179 V202 | Q47-R52 PolarHBondContact O-NE 3.22Å; Q47-R52 VanDerWaalsContact O-NE 3.14Å; Q47-R52 PolarHBondContact O-NH2 2.89Å; Q47-R52 VanDerWaalsContact O-NH2 3.13Å; R50-R52 VanDerWaalsContact C-N 3.31Å; R50-R52 PolarHBondContact O-N 3.29Å; R50-R52 VanDerWaalsContact O-N 3.1Å; R52-V56 PolarHBondContact O-N 2.93Å; R52-L177 HydrophobicContact CB-CD2 4.24Å; R52-G178 PolarHBondContact NH1-O 3.24Å; R52-L179 VanDerWaalsContact NH2-CD2 3.33Å; R52-V202 HydrophobicContact CG-CB 4.09Å; R52-V202 HydrophobicContact CG-CG1 4.43Å; R52-V202 HydrophobicContact CG-CG2 3.99Å |
| 53 | R | 91.2 | Very high | 89.7 | Confident | 5 Ų | 5 | 20.5 Ų | 20.5 | 2% | 0.019 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.9 | -48.4 | 177.9 | -169.8 | -172.1 | -55.1 | 141.4 | 9.4 | 110.5 | R50 L55 V56 M57 D112 L177 D469 | R50-R53 CarbonylContact O-C 3.59Å; R50-R53 WeakPolarHBondContact O-CA 3.41Å; R50-R53 VanDerWaalsContact O-CB 3.29Å; R50-R53 WeakPolarHBondContact O-CB 3.3Å; R50-R53 PolarHBondContact O-N 3.29Å; R53-L55 VanDerWaalsContact C-N 3.25Å; R53-L55 PolarHBondContact O-N 3.25Å; R53-V56 PolarHBondContact O-N 2.69Å; R53-M57 HydrophobicContact CG-CE 4.04Å; R53-M57 HydrophobicContact CG-CG 4.23Å; R53-M57 WeakPolarHBondContact O-CG 3.4Å; R53-M57 PolarHBondContact O-N 3.03Å; R53-D112 IonicContact CZ-OD2 3.58Å; R53-D112 IonicContact NE-OD2 2.73Å; R53-D112 PolarHBondContact NE-OD2 2.76Å; R53-D112 IonicContact NH2-OD2 3.57Å; R53-D112 PolarHBondContact NH2-OD2 3.47Å; R53-D112 VanDerWaalsContact NH2-OD2 3.12Å; R53-L177 HydrophobicContact CB-CD1 4Å; R53-L177 HydrophobicContact CG-CD1 4.3Å; R53-D469 VanDerWaalsContact CD-OD2 3.31Å; R53-D469 WeakPolarHBondContact CD-OD2 3.25Å; R53-D469 IonicContact CZ-OD2 3.19Å; R53-D469 IonicContact NE-OD2 2.66Å; R53-D469 IonicContact NH1-OD2 3.57Å; R53-D469 PolarHBondContact NH1-OD2 2.96Å |
| 54 | D | 89 | Confident | 89.4 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.032 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.5 | -40 | 178.4 | -74 | 10 | 0 | 0 | 0 | 111.4 | S15 I16 R50 R51 V56 M57 L58 | S15-D54 PolarHBondContact OG-OD2 2.92Å; I16-D54 HydrophobicContact CD1-CB 3.4Å; I16-D54 VanDerWaalsContact CD1-CB 3.4Å; I16-D54 WeakPolarHBondContact CD1-O 3.29Å; I16-D54 HydrophobicContact CG1-CB 3.79Å; R50-D54 WeakPolarHBondContact CD-OD2 3.42Å; R50-D54 IonicContact NE-OD2 3.37Å; R50-D54 PolarHBondContact O-N 2.97Å; R51-D54 PolarHBondContact O-N 2.82Å; D54-V56 PolarHBondContact O-N 3.31Å; D54-M57 PolarHBondContact O-N 3.18Å; D54-L58 WeakPolarHBondContact O-CB 3.45Å; D54-L58 PolarHBondContact O-N 2.77Å |
| 55 | L | 89.9 | Confident | 89.2 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 177 | -80.4 | 168.5 | 0 | 0 | 0 | 112.3 | I16 A25 D28 L29 R51 R53 Y59 V202 | I16-L55 HydrophobicContact CD1-CB 4.37Å; I16-L55 HydrophobicContact CD1-CD2 3.92Å; I16-L55 HydrophobicContact CD1-CG 3.91Å; I16-L55 VanDerWaalsContact CD1-N 3.34Å; A25-L55 HydrophobicContact CB-CD2 3.82Å; D28-L55 HydrophobicContact CB-CD1 4.16Å; D28-L55 HydrophobicContact CB-CD2 4.3Å; L29-L55 WeakPolarHBondContact CD2-O 3.32Å; L29-L55 HydrophobicContact CG-CD2 4.44Å; R51-L55 WeakPolarHBondContact O-CG 3.32Å; R51-L55 PolarHBondContact O-N 2.62Å; R53-L55 VanDerWaalsContact C-N 3.25Å; R53-L55 PolarHBondContact O-N 3.25Å; L55-Y59 WeakPolarHBondContact O-CB 3.35Å; L55-Y59 PolarHBondContact O-N 3.09Å; L55-V202 HydrophobicContact CD1-CB 4.33Å; L55-V202 HydrophobicContact CD1-CG1 3.4Å; L55-V202 VanDerWaalsContact CD1-CG1 3.4Å; L55-V202 HydrophobicContact CD1-CG2 3.94Å |
| 56 | V | 92.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.5 | -45.8 | 176.9 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | L32 L44 R52 R53 D54 L58 Y59 L60 I110 V175 L177 | L32-V56 HydrophobicContact CD1-CG2 4.42Å; L44-V56 HydrophobicContact CD1-CG2 3.41Å; L44-V56 VanDerWaalsContact CD1-CG2 3.41Å; L44-V56 HydrophobicContact CG-CG2 4.5Å; R52-V56 PolarHBondContact O-N 2.93Å; R53-V56 PolarHBondContact O-N 2.69Å; D54-V56 PolarHBondContact O-N 3.31Å; V56-L58 VanDerWaalsContact C-N 3.31Å; V56-L58 PolarHBondContact O-N 3.49Å; V56-Y59 WeakPolarHBondContact O-CB 3.35Å; V56-Y59 PolarHBondContact O-N 3.32Å; V56-Y59 VanDerWaalsContact O-N 3.17Å; V56-L60 HydrophobicContact CG1-CD1 3.85Å; V56-L60 HydrophobicContact CG1-CG 4.3Å; V56-L60 VanDerWaalsContact O-CG 3.25Å; V56-L60 WeakPolarHBondContact O-CG 3.39Å; V56-L60 PolarHBondContact O-N 2.93Å; V56-I110 HydrophobicContact CG1-CD1 3.84Å; V56-I110 HydrophobicContact CG1-CG1 4.14Å; V56-V175 HydrophobicContact CG1-CB 4.41Å; V56-V175 HydrophobicContact CG1-CG1 4.19Å; V56-V175 HydrophobicContact CG2-CG1 3.66Å; V56-L177 HydrophobicContact CG2-CD2 3.86Å |
| 57 | M | 90.5 | Very high | 89.4 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 178.6 | -65.6 | -57.8 | 177.1 | 0 | 0 | 111.6 | Y12 R53 D54 L60 E61 Y67 Y69 I110 | Y12-M57 HydrophobicContact CD1-CB 3.86Å; Y12-M57 HydrophobicContact CD2-CB 4.17Å; Y12-M57 HydrophobicContact CE1-CB 3.84Å; Y12-M57 HydrophobicContact CE1-CG 4.08Å; Y12-M57 HydrophobicContact CE2-CB 4.15Å; Y12-M57 HydrophobicContact CG-CB 4.03Å; R53-M57 HydrophobicContact CG-CE 4.04Å; R53-M57 HydrophobicContact CG-CG 4.23Å; R53-M57 WeakPolarHBondContact O-CG 3.4Å; R53-M57 PolarHBondContact O-N 3.03Å; D54-M57 PolarHBondContact O-N 3.18Å; M57-L60 PolarHBondContact O-N 2.99Å; M57-E61 WeakPolarHBondContact O-CB 3.46Å; M57-E61 PolarHBondContact O-N 3.39Å; M57-Y67 HydrophobicContact CE-CD2 4.44Å; M57-Y67 HydrophobicContact CE-CE2 3.8Å; M57-Y67 HydrophobicContact SD-CE1 4.18Å; M57-Y67 HydrophobicContact SD-CE2 3.94Å; M57-Y69 HydrophobicContact CE-CD2 4.21Å; M57-I110 HydrophobicContact CE-CD1 3.55Å; M57-I110 HydrophobicContact SD-CD1 4Å |
| 58 | L | 88.8 | Confident | 89.6 | Confident | 11 Ų | 11 | 32.3 Ų | 32.3 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 174.5 | 179.1 | 63.5 | 0 | 0 | 0 | 111.7 | A13 I16 L29 D54 V56 E61 L62 | A13-L58 HydrophobicContact CB-CD1 4.32Å; I16-L58 HydrophobicContact CB-CD2 3.87Å; I16-L58 HydrophobicContact CD1-CB 4.4Å; I16-L58 HydrophobicContact CD1-CD2 4.17Å; I16-L58 HydrophobicContact CG2-CD2 3.54Å; L29-L58 HydrophobicContact CD1-CD2 3.84Å; L29-L58 HydrophobicContact CD1-CG 4.42Å; L29-L58 HydrophobicContact CD2-CD2 4.42Å; L29-L58 HydrophobicContact CD2-CG 4.41Å; D54-L58 WeakPolarHBondContact O-CB 3.45Å; D54-L58 PolarHBondContact O-N 2.77Å; V56-L58 VanDerWaalsContact C-N 3.31Å; V56-L58 PolarHBondContact O-N 3.49Å; L58-E61 PolarHBondContact O-N 2.93Å; L58-L62 HydrophobicContact CD1-CD1 4.02Å; L58-L62 HydrophobicContact CD1-CG 4.05Å; L58-L62 HydrophobicContact CG-CD1 3.92Å; L58-L62 HydrophobicContact CG-CG 4.37Å; L58-L62 WeakPolarHBondContact O-CB 3.49Å; L58-L62 WeakPolarHBondContact O-CG 3.46Å; L58-L62 PolarHBondContact O-N 3.11Å |
| 59 | Y | 91.7 | Very high | 89.7 | Confident | 22 Ų | 22 | 32.5 Ų | 32.5 | 9% | 0.086 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.5 | -49.4 | 174.8 | 175.9 | -102.6 | 0 | 0 | 0 | 111.3 | L32 M33 D36 L55 V56 E61 L62 S63 F108 | L32-Y59 HydrophobicContact CB-CD1 4.45Å; L32-Y59 HydrophobicContact CB-CD2 4.04Å; L32-Y59 HydrophobicContact CB-CE2 4.35Å; L32-Y59 HydrophobicContact CB-CG 4.1Å; L32-Y59 HydrophobicContact CD1-CG 4.3Å; M33-Y59 HydrophobicContact CB-CE2 3.8Å; M33-Y59 HydrophobicContact CG-CE2 4.33Å; D36-Y59 HydrophobicContact CB-CE1 4.47Å; D36-Y59 WeakPolarHBondContact CB-OH 3.4Å; D36-Y59 PolarHBondContact OD2-OH 2.85Å; L55-Y59 WeakPolarHBondContact O-CB 3.35Å; L55-Y59 PolarHBondContact O-N 3.09Å; V56-Y59 WeakPolarHBondContact O-CB 3.35Å; V56-Y59 PolarHBondContact O-N 3.32Å; V56-Y59 VanDerWaalsContact O-N 3.17Å; Y59-E61 VanDerWaalsContact C-N 3.33Å; Y59-E61 PolarHBondContact O-N 3.38Å; Y59-L62 PolarHBondContact O-N 3.4Å; Y59-S63 WeakPolarHBondContact O-CB 3.45Å; Y59-S63 PolarHBondContact O-N 3.05Å; Y59-S63 PolarHBondContact O-OG 3.16Å; Y59-F108 HydrophobicContact CE1-CE1 4.35Å; Y59-F108 HydrophobicContact CE1-CZ 4.13Å |
| 60 | L | 91.7 | Very high | 89.9 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.9 | -38.9 | -179 | -66.2 | 171.4 | 0 | 0 | 0 | 111.8 | V56 M57 S63 E64 Q65 Y67 F108 I110 | V56-L60 HydrophobicContact CG1-CD1 3.85Å; V56-L60 HydrophobicContact CG1-CG 4.3Å; V56-L60 VanDerWaalsContact O-CG 3.25Å; V56-L60 WeakPolarHBondContact O-CG 3.39Å; V56-L60 PolarHBondContact O-N 2.93Å; M57-L60 PolarHBondContact O-N 2.99Å; L60-S63 WeakPolarHBondContact CA-OG 3.49Å; L60-S63 PolarHBondContact O-N 3.41Å; L60-S63 PolarHBondContact O-OG 3.03Å; L60-E64 WeakPolarHBondContact O-CA 3.29Å; L60-E64 PolarHBondContact O-N 3.11Å; L60-Q65 HydrophobicContact CD2-CB 3.84Å; L60-Q65 PolarHBondContact O-N 3.05Å; L60-Y67 HydrophobicContact CD1-CD1 3.97Å; L60-Y67 HydrophobicContact CD1-CG 3.91Å; L60-F108 HydrophobicContact CD1-CB 4.48Å; L60-F108 HydrophobicContact CD2-CB 3.75Å; L60-F108 HydrophobicContact CD2-CD1 3.76Å; L60-F108 HydrophobicContact CD2-CD2 3.57Å; L60-F108 HydrophobicContact CD2-CE1 4.24Å; L60-F108 HydrophobicContact CD2-CE2 4.08Å; L60-F108 HydrophobicContact CD2-CG 3.39Å; L60-F108 HydrophobicContact CD2-CZ 4.38Å; L60-I110 HydrophobicContact CD1-CD1 3.79Å; L60-I110 HydrophobicContact CD1-CG1 4.47Å |
| 61 | E | 85.8 | Confident | 90 | Very high | 60 Ų | 60 | 32.8 Ų | 32.8 | 28% | 0.28 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -67 | -44.4 | 175.8 | -175.6 | 172.4 | -163.6 | 0 | 0 | 112.2 | S10 M57 L58 Y59 S63 E64 | S10-E61 WeakPolarHBondContact CB-OE1 3.32Å; S10-E61 WeakPolarHBondContact CB-OE2 3.36Å; S10-E61 PolarHBondContact OG-OE1 3.41Å; S10-E61 PolarHBondContact OG-OE2 2.93Å; M57-E61 WeakPolarHBondContact O-CB 3.46Å; M57-E61 PolarHBondContact O-N 3.39Å; L58-E61 PolarHBondContact O-N 2.93Å; Y59-E61 VanDerWaalsContact C-N 3.33Å; Y59-E61 PolarHBondContact O-N 3.38Å; E61-S63 VanDerWaalsContact C-N 3.25Å; E61-S63 PolarHBondContact O-N 2.96Å; E61-E64 PolarHBondContact O-N 3.09Å |
| 62 | L | 86.2 | Confident | 90 | Very high | 79 Ų | 79 | 31.2 Ų | 31.2 | 41% | 0.414 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.5 | -29.5 | 178.4 | -72.9 | 173.6 | 0 | 0 | 0 | 112.9 | L29 L58 Y59 | L29-L62 HydrophobicContact CD1-CD1 4.36Å; L58-L62 HydrophobicContact CD1-CD1 4.02Å; L58-L62 HydrophobicContact CD1-CG 4.05Å; L58-L62 HydrophobicContact CG-CD1 3.92Å; L58-L62 HydrophobicContact CG-CG 4.37Å; L58-L62 WeakPolarHBondContact O-CB 3.49Å; L58-L62 WeakPolarHBondContact O-CG 3.46Å; L58-L62 PolarHBondContact O-N 3.11Å; Y59-L62 PolarHBondContact O-N 3.4Å |
| 63 | S | 88.2 | Confident | 89.6 | Confident | 36 Ų | 36 | 30.9 Ų | 30.9 | 25% | 0.252 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 0.7 | 179.1 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | Y59 L60 E61 Q65 | Y59-S63 WeakPolarHBondContact O-CB 3.45Å; Y59-S63 PolarHBondContact O-N 3.05Å; Y59-S63 PolarHBondContact O-OG 3.16Å; L60-S63 WeakPolarHBondContact CA-OG 3.49Å; L60-S63 PolarHBondContact O-N 3.41Å; L60-S63 PolarHBondContact O-OG 3.03Å; E61-S63 VanDerWaalsContact C-N 3.25Å; E61-S63 PolarHBondContact O-N 2.96Å; S63-Q65 PolarHBondContact O-N 3.18Å; S63-Q65 PolarHBondContact O-NE2 3.28Å; S63-Q65 VanDerWaalsContact OG-CG 3.29Å; S63-Q65 WeakPolarHBondContact OG-CG 3.34Å |
| 64 | E | 87.6 | Confident | 88.9 | Confident | 136 Ų | 136 | 33.4 Ų | 33.4 | 64% | 0.636 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 37.6 | -176.2 | -62.8 | -179 | 179.9 | 0 | 0 | 113 | R5 L60 E61 | R5-E64 IonicContact CZ-OE1 3.72Å; R5-E64 IonicContact NH1-OE1 3.25Å; R5-E64 PolarHBondContact NH1-OE1 3.32Å; R5-E64 IonicContact NH2-OE1 3.31Å; L60-E64 WeakPolarHBondContact O-CA 3.29Å; L60-E64 PolarHBondContact O-N 3.11Å; E61-E64 PolarHBondContact O-N 3.09Å |
| 65 | Q | 89.9 | Confident | 88.2 | Confident | 66 Ų | 66 | 33.6 Ų | 33.6 | 31% | 0.308 | 16% | 0.164 | S | C | . | . | trans | -90.7 | 140 | -179.4 | -63 | -58.8 | -48.8 | 0 | 0 | 111.8 | L60 S63 F108 | L60-Q65 HydrophobicContact CD2-CB 3.84Å; L60-Q65 PolarHBondContact O-N 3.05Å; S63-Q65 PolarHBondContact O-N 3.18Å; S63-Q65 PolarHBondContact O-NE2 3.28Å; S63-Q65 VanDerWaalsContact OG-CG 3.29Å; S63-Q65 WeakPolarHBondContact OG-CG 3.34Å; Q65-F108 HydrophobicContact CB-CD2 3.9Å; Q65-F108 HydrophobicContact CB-CE2 3.97Å; Q65-F108 HydrophobicContact CG-CD2 4.31Å; Q65-F108 HydrophobicContact CG-CE2 3.85Å | ||
| 66 | E | 92.2 | Very high | 87.8 | Confident | 113 Ų | 113 | 34 Ų | 34 | 53% | 0.528 | 17% | 0.167 | S | C | . | . | trans | -77.3 | 149.8 | 171.4 | -65.2 | -170.2 | 164.3 | 0 | 0 | 110.9 | R107 F108 | E66-R107 HydrophobicContact CB-CB 4.29Å; E66-R107 HydrophobicContact CB-CG 3.78Å; E66-R107 WeakPolarHBondContact O-CA 3.36Å; E66-R107 WeakPolarHBondContact O-CB 3.35Å; E66-R107 IonicContact OE2-CZ 3.17Å; E66-R107 IonicContact OE2-NE 3.54Å; E66-R107 PolarHBondContact OE2-NE 2.88Å; E66-R107 IonicContact OE2-NH2 3.95Å; E66-R107 PolarHBondContact OE2-NH2 2.94Å; E66-R107 VanDerWaalsContact OE2-NH2 3.11Å; E66-F108 PolarHBondContact O-N 2.97Å | ||
| 67 | Y | 94 | Very high | 87.3 | Confident | 27 Ų | 27 | 34.5 Ų | 34.5 | 11% | 0.106 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 156.5 | 178.1 | 71.2 | -84.2 | 0 | 0 | 0 | 113.6 | M57 L60 F108 I110 R479 R485 | M57-Y67 HydrophobicContact CE-CD2 4.44Å; M57-Y67 HydrophobicContact CE-CE2 3.8Å; M57-Y67 HydrophobicContact SD-CE1 4.18Å; M57-Y67 HydrophobicContact SD-CE2 3.94Å; L60-Y67 HydrophobicContact CD1-CD1 3.97Å; L60-Y67 HydrophobicContact CD1-CG 3.91Å; Y67-F108 CarbonylContact C-O 3.59Å; Y67-F108 WeakPolarHBondContact CA-O 3.33Å; Y67-F108 WeakPolarHBondContact CB-O 3.44Å; Y67-I110 HydrophobicContact CD2-CD1 3.81Å; Y67-I110 HydrophobicContact CE2-CD1 4.38Å; Y67-I110 HydrophobicContact CG-CD1 4.27Å; Y67-R479 PolarHBondContact O-NH2 3.04Å; Y67-R485 PolarHBondContact OH-NH1 3.39Å; Y67-R485 PolarHBondContact OH-NH2 3.39Å; Y67-R485 VanDerWaalsContact OH-NH2 3.12Å |
| 68 | E | 93.2 | Very high | 86.9 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 145.1 | 162.5 | -62.5 | -65.1 | 162 | 0 | 0 | 108.5 | A98 R101 A102 R107 F108 L109 I110 R479 | E68-A98 HydrophobicContact CB-CB 4.09Å; E68-R101 HydrophobicContact CG-CB 4.22Å; E68-R101 IonicContact OE2-CZ 3.08Å; E68-R101 IonicContact OE2-NE 2.65Å; E68-R101 IonicContact OE2-NH2 2.77Å; E68-A102 HydrophobicContact CB-CB 4.04Å; E68-A102 HydrophobicContact CG-CB 3.88Å; E68-R107 IonicContact OE1-CZ 3.42Å; E68-R107 IonicContact OE1-NH1 3.69Å; E68-R107 PolarHBondContact OE1-NH1 3.24Å; E68-F108 PolarHBondContact N-O 2.9Å; E68-L109 HydrophobicContact CB-CD1 4.29Å; E68-I110 PolarHBondContact O-N 3.42Å; E68-R479 VanDerWaalsContact CD-NH2 3.28Å; E68-R479 IonicContact OE1-NH2 3.99Å; E68-R479 PolarHBondContact OE1-NH2 3.08Å; E68-R479 IonicContact OE2-CZ 3.63Å; E68-R479 IonicContact OE2-NH2 3.08Å; E68-R479 PolarHBondContact OE2-NH2 2.96Å |
| 69 | Y | 90.9 | Very high | 86.7 | Confident | 20 Ų | 20 | 37.9 Ų | 37.9 | 8% | 0.078 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.9 | -178.7 | 177.1 | -85.3 | 0 | 0 | 0 | 109.2 | M57 A71 I110 D112 | M57-Y69 HydrophobicContact CE-CD2 4.21Å; Y69-A71 HydrophobicContact CE1-CB 3.83Å; Y69-I110 HydrophobicContact CD2-CB 3.88Å; Y69-I110 HydrophobicContact CD2-CD1 4.41Å; Y69-I110 HydrophobicContact CD2-CG2 3.75Å; Y69-I110 HydrophobicContact CE2-CG2 4.02Å; Y69-D112 HydrophobicContact CE2-CB 3.74Å; Y69-D112 VanDerWaalsContact OH-CB 3.27Å; Y69-D112 WeakPolarHBondContact OH-CB 3.4Å; Y69-D112 PolarHBondContact OH-OD2 2.77Å |
| 70 | L | 89.7 | Confident | 86.3 | Confident | 19 Ų | 19 | 38.1 Ų | 38.1 | 10% | 0.099 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 113.7 | 175.7 | 179.2 | 66 | 0 | 0 | 0 | 108.8 | I72 I81 A98 I110 L111 D112 | L70-I72 HydrophobicContact CD2-CG1 4.48Å; L70-I72 HydrophobicContact CG-CG1 4.39Å; L70-I81 HydrophobicContact CD2-CG1 3.97Å; L70-A98 HydrophobicContact CB-CB 4.19Å; L70-I110 PolarHBondContact N-O 3.28Å; L70-L111 HydrophobicContact CB-CD2 4.09Å; L70-L111 HydrophobicContact CD2-CD2 3.84Å; L70-L111 HydrophobicContact CG-CD2 4.42Å; L70-D112 PolarHBondContact O-N 2.9Å |
| 71 | A | 88.1 | Confident | 86.1 | Confident | 24 Ų | 24 | 38 Ų | 38 | 20% | 0.198 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 123.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y69 M462 | Y69-A71 HydrophobicContact CE1-CB 3.83Å; A71-M462 HydrophobicContact CB-CE 4.13Å; A71-M462 HydrophobicContact CB-SD 3.47Å; A71-M462 WeakPolarHBondContact CB-SD 3.29Å |
| 72 | I | 87.1 | Confident | 86.3 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | trans | -96.8 | 119.7 | 178.7 | -57.6 | 173.2 | 0 | 0 | 0 | 108.3 | L70 L111 D112 V114 A117 L122 | L70-I72 HydrophobicContact CD2-CG1 4.48Å; L70-I72 HydrophobicContact CG-CG1 4.39Å; I72-L111 HydrophobicContact CD1-CB 4.1Å; I72-L111 HydrophobicContact CD1-CD2 4.34Å; I72-D112 PolarHBondContact N-O 2.65Å; I72-V114 HydrophobicContact CD1-CG2 4.25Å; I72-A117 HydrophobicContact CG2-CB 3.51Å; I72-L122 HydrophobicContact CD1-CD2 4.28Å | ||
| 73 | T | 83.2 | Confident | 86.5 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | trans | -116.2 | 173.3 | 169.5 | 68 | 0 | 0 | 0 | 0 | 110.3 | D75 T76 M462 | T73-D75 PolarHBondContact O-N 3.23Å; T73-D75 VanDerWaalsContact O-N 3.16Å; T73-D75 PolarHBondContact OG1-N 3.01Å; T73-T76 PolarHBondContact N-OG1 3.22Å; T73-T76 WeakPolarHBondContact O-CB 3.23Å; T73-T76 PolarHBondContact O-N 3.01Å; T73-T76 VanDerWaalsContact O-N 3.14Å; T73-T76 PolarHBondContact O-OG1 2.97Å; T73-M462 HydrophobicContact CG2-CG 3.41Å; T73-M462 VanDerWaalsContact CG2-CG 3.41Å; T73-M462 HydrophobicContact CG2-SD 3.39Å; T73-M462 WeakPolarHBondContact CG2-SD 3.43Å | ||
| 74 | R | 76.1 | Confident | 86.4 | Confident | 59 Ų | 59 | 31.8 Ų | 31.8 | 22% | 0.223 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27.2 | 170.4 | 74.3 | 179.3 | -176.5 | -175.9 | -1.2 | 113.4 | T76 Q116 H456 S458 | R74-T76 VanDerWaalsContact C-N 3.34Å; R74-Q116 PolarHBondContact N-O 3.19Å; R74-H456 PolarHBondContact NH1-CD2 3.03Å; R74-H456 PolarHBondContact NH1-ND1 2.94Å; R74-S458 WeakPolarHBondContact CD-OG 3.38Å; R74-S458 WeakPolarHBondContact CG-OG 3.29Å |
| 75 | D | 75 | Confident | 86.4 | Confident | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.048 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -1.1 | -176 | -52.5 | -47.3 | 0 | 0 | 0 | 112.9 | T73 T77 N414 S415 H1184 | T73-D75 PolarHBondContact O-N 3.23Å; T73-D75 VanDerWaalsContact O-N 3.16Å; T73-D75 PolarHBondContact OG1-N 3.01Å; D75-T77 PolarHBondContact O-N 2.89Å; D75-N414 PolarHBondContact OD1-OD1 3.36Å; D75-N414 WeakPolarHBondContact OD2-CA 3.41Å; D75-N414 VanDerWaalsContact OD2-CB 3.32Å; D75-N414 WeakPolarHBondContact OD2-CB 3.37Å; D75-S415 PolarHBondContact OD2-N 3.27Å; D75-S415 VanDerWaalsContact OD2-N 3.13Å; D75-H1184 IonicContact OD1-CD2 3.42Å; D75-H1184 IonicContact OD1-CE1 3.91Å; D75-H1184 IonicContact OD1-NE2 3.76Å; D75-H1184 PolarHBondContact OD1-NE2 3.13Å |
| 76 | T | 82.7 | Confident | 86.1 | Confident | 10 Ų | 10 | 27 Ų | 27 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | trans | -67 | 124.8 | -176.9 | -45 | 0 | 0 | 0 | 0 | 109.8 | T73 R74 D80 I81 V121 | T73-T76 PolarHBondContact N-OG1 3.22Å; T73-T76 WeakPolarHBondContact O-CB 3.23Å; T73-T76 PolarHBondContact O-N 3.01Å; T73-T76 VanDerWaalsContact O-N 3.14Å; T73-T76 PolarHBondContact O-OG1 2.97Å; R74-T76 VanDerWaalsContact C-N 3.34Å; T76-D80 HydrophobicContact CG2-CB 4.1Å; T76-I81 HydrophobicContact CG2-CD1 4.31Å; T76-I81 HydrophobicContact CG2-CG1 4.11Å; T76-V121 HydrophobicContact CG2-CG1 4.29Å; T76-V121 WeakPolarHBondContact O-CG2 3.38Å | ||
| 77 | T | 80.6 | Confident | 85.7 | Confident | 13 Ų | 13 | 23 Ų | 23 | 8% | 0.08 | 11% | 0.11 | C | C | . | . | trans | -108.3 | 172.5 | -179.9 | 65.6 | 0 | 0 | 0 | 0 | 111.8 | D75 A79 D80 I81 | D75-T77 PolarHBondContact O-N 2.89Å; T77-A79 PolarHBondContact O-N 3.23Å; T77-A79 PolarHBondContact OG1-N 3.13Å; T77-D80 PolarHBondContact N-OD2 2.89Å; T77-D80 PolarHBondContact O-N 3.26Å; T77-D80 VanDerWaalsContact O-N 3.13Å; T77-D80 PolarHBondContact OG1-OD2 2.82Å; T77-I81 PolarHBondContact O-N 3.06Å | ||
| 78 | E | 82.7 | Confident | 85.2 | Confident | 69 Ų | 69 | 24 Ų | 24 | 32% | 0.322 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -54.6 | -37.2 | 171 | -174.4 | 160.8 | -164.2 | 0 | 0 | 112.6 | D80 I81 K82 I124 | E78-D80 PolarHBondContact O-N 3.23Å; E78-I81 PolarHBondContact O-N 2.97Å; E78-I81 VanDerWaalsContact O-N 3.17Å; E78-K82 HydrophobicContact CG-CD 3.88Å; E78-K82 HydrophobicContact CG-CG 4.18Å; E78-K82 PolarHBondContact O-N 2.98Å; E78-K82 WeakPolarHBondContact OE1-CD 3.22Å; E78-K82 WeakPolarHBondContact OE1-CE 3.48Å; E78-K82 IonicContact OE1-NZ 3.13Å; E78-K82 PolarHBondContact OE1-NZ 3.32Å; E78-I124 HydrophobicContact CB-CD1 3.81Å; E78-I124 HydrophobicContact CG-CD1 4.21Å; E78-I124 HydrophobicContact CG-CG2 4.06Å |
| 79 | A | 83.5 | Confident | 84.6 | Confident | 17 Ų | 17 | 28.9 Ų | 28.9 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.6 | -27.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T77 Q83 R84 Q97 | T77-A79 PolarHBondContact O-N 3.23Å; T77-A79 PolarHBondContact OG1-N 3.13Å; A79-Q83 WeakPolarHBondContact CA-O 3.38Å; A79-Q83 CarbonylContact O-C 3.21Å; A79-Q83 VanDerWaalsContact O-C 3.29Å; A79-R84 PolarHBondContact O-N 3.47Å; A79-Q97 WeakPolarHBondContact O-CG 3.44Å |
| 80 | D | 84.1 | Confident | 83.9 | Confident | 28 Ų | 28 | 31.1 Ų | 31.1 | 15% | 0.15 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -82.2 | -21.5 | 178.8 | -53.5 | -54.6 | 0 | 0 | 0 | 112 | T76 T77 E78 Q97 R416 | T76-D80 HydrophobicContact CG2-CB 4.1Å; T77-D80 PolarHBondContact N-OD2 2.89Å; T77-D80 PolarHBondContact O-N 3.26Å; T77-D80 VanDerWaalsContact O-N 3.13Å; T77-D80 PolarHBondContact OG1-OD2 2.82Å; E78-D80 PolarHBondContact O-N 3.23Å; D80-Q97 VanDerWaalsContact O-CB 3.32Å; D80-Q97 WeakPolarHBondContact O-CB 3.5Å; D80-R416 IonicContact OD1-CZ 2.68Å; D80-R416 IonicContact OD1-NH2 3.47Å; D80-R416 PolarHBondContact OD1-NH2 3.34Å; D80-R416 IonicContact OD2-NH2 3.11Å; D80-R416 PolarHBondContact OD2-NH2 3.19Å; D80-R416 VanDerWaalsContact OD2-NH2 3.15Å |
| 81 | I | 87.9 | Confident | 83.5 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -93.6 | -51 | -179.4 | -61.2 | 177.2 | 0 | 0 | 0 | 111.1 | L70 T76 T77 E78 A99 V121 V125 | L70-I81 HydrophobicContact CD2-CG1 3.97Å; T76-I81 HydrophobicContact CG2-CD1 4.31Å; T76-I81 HydrophobicContact CG2-CG1 4.11Å; T77-I81 PolarHBondContact O-N 3.06Å; E78-I81 PolarHBondContact O-N 2.97Å; E78-I81 VanDerWaalsContact O-N 3.17Å; I81-A99 HydrophobicContact CG2-CB 4Å; I81-A99 WeakPolarHBondContact O-CB 3.48Å; I81-V121 HydrophobicContact CD1-CG1 3.51Å; I81-V125 HydrophobicContact CD1-CG2 4.06Å; I81-V125 HydrophobicContact CG2-CG1 4.41Å; I81-V125 HydrophobicContact CG2-CG2 4.09Å |
| 82 | K | 90.5 | Very high | 83.3 | Confident | 24 Ų | 24 | 37.8 Ų | 37.8 | 10% | 0.104 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -90.6 | -83.5 | -173.3 | -65.3 | -169.3 | 178 | 173.1 | 0 | 111.6 | E78 Q97 V100 I124 M134 Q135 L136 | E78-K82 HydrophobicContact CG-CD 3.88Å; E78-K82 HydrophobicContact CG-CG 4.18Å; E78-K82 PolarHBondContact O-N 2.98Å; E78-K82 WeakPolarHBondContact OE1-CD 3.22Å; E78-K82 WeakPolarHBondContact OE1-CE 3.48Å; E78-K82 IonicContact OE1-NZ 3.13Å; E78-K82 PolarHBondContact OE1-NZ 3.32Å; K82-Q97 WeakPolarHBondContact O-CB 3.41Å; K82-Q97 PolarHBondContact O-N 3.26Å; K82-V100 WeakPolarHBondContact O-CG2 3.29Å; K82-I124 HydrophobicContact CD-CG2 4.28Å; K82-I124 VanDerWaalsContact CE-CG2 3.5Å; K82-I124 HydrophobicContact CG-CG2 4.23Å; K82-M134 HydrophobicContact CD-CG 4.29Å; K82-M134 HydrophobicContact CD-SD 4.28Å; K82-M134 HydrophobicContact CG-CE 4.08Å; K82-M134 HydrophobicContact CG-CG 4.43Å; K82-M134 HydrophobicContact CG-SD 3.77Å; K82-Q135 WeakPolarHBondContact CE-O 3.19Å; K82-Q135 PolarHBondContact NZ-O 2.67Å; K82-L136 HydrophobicContact CB-CD2 4.43Å |
| 83 | Q | 89.6 | Confident | 83.3 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 137.1 | -174 | -69.1 | -179.2 | -36.8 | 0 | 0 | 109 | A79 V95 D96 L136 E137 D138 | A79-Q83 WeakPolarHBondContact CA-O 3.38Å; A79-Q83 CarbonylContact O-C 3.21Å; A79-Q83 VanDerWaalsContact O-C 3.29Å; Q83-V95 WeakPolarHBondContact CA-O 3.14Å; Q83-D96 PolarHBondContact NE2-OD1 2.68Å; Q83-L136 HydrophobicContact CG-CD2 4.37Å; Q83-E137 VanDerWaalsContact OE1-N 3.1Å; Q83-D138 PolarHBondContact NE2-OD1 2.83Å; Q83-D138 PolarHBondContact NE2-OD2 3.43Å |
| 84 | R | 86.7 | Confident | 83.5 | Confident | 14 Ų | 14 | 49 Ų | 49 | 5% | 0.053 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 150.3 | 170 | 73 | -170.7 | -172.9 | -118.9 | 2 | 109.8 | A79 E86 Y94 V95 Q97 C475 D476 | A79-R84 PolarHBondContact O-N 3.47Å; R84-E86 HydrophobicContact CG-CG 4.49Å; R84-E86 IonicContact CZ-OE1 3.42Å; R84-E86 VanDerWaalsContact CZ-OE1 3.29Å; R84-E86 IonicContact NE-OE1 3.81Å; R84-E86 PolarHBondContact NE-OE1 2.86Å; R84-E86 IonicContact NH2-OE1 3.75Å; R84-E86 PolarHBondContact NH2-OE1 3.08Å; R84-Y94 WeakPolarHBondContact O-CA 3.46Å; R84-V95 HydrophobicContact CG-CB 3.97Å; R84-V95 PolarHBondContact N-O 2.97Å; R84-V95 PolarHBondContact O-N 3.37Å; R84-Q97 VanDerWaalsContact CD-NE2 3.26Å; R84-Q97 VanDerWaalsContact CG-NE2 3.31Å; R84-Q97 VanDerWaalsContact NH1-OE1 3.15Å; R84-C475 PolarHBondContact NH1-O 3.22Å; R84-D476 VanDerWaalsContact NH2-C 3.3Å; R84-D476 PolarHBondContact NH2-O 3.49Å |
| 85 | R | 85.9 | Confident | 84.1 | Confident | 78 Ų | 78 | 47.8 Ų | 47.8 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.4 | 175.5 | -167.5 | 173.2 | 80.8 | -177.6 | 4.9 | 109.6 | A92 Y94 I1199 T1200 G1201 | R85-A92 HydrophobicContact CG-CB 4.02Å; R85-Y94 HydrophobicContact CB-CD1 4.39Å; R85-Y94 HydrophobicContact CB-CE1 4.24Å; R85-Y94 HydrophobicContact CG-CE1 4.19Å; R85-I1199 PolarHBondContact NH2-O 3.45Å; R85-T1200 WeakPolarHBondContact CB-O 3.14Å; R85-T1200 VanDerWaalsContact CZ-C 3.47Å; R85-T1200 PolarHBondContact NE-O 3.15Å; R85-T1200 PolarHBondContact NH2-O 2.96Å; R85-G1201 VanDerWaalsContact NH2-CA 3.26Å |
| 86 | E | 85.4 | Confident | 84.9 | Confident | 24 Ų | 24 | 49 Ų | 49 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 144.5 | 175.4 | -66.2 | -178.5 | 175.9 | 0 | 0 | 109.3 | R84 A92 R93 V95 W432 | R84-E86 HydrophobicContact CG-CG 4.49Å; R84-E86 IonicContact CZ-OE1 3.42Å; R84-E86 VanDerWaalsContact CZ-OE1 3.29Å; R84-E86 IonicContact NE-OE1 3.81Å; R84-E86 PolarHBondContact NE-OE1 2.86Å; R84-E86 IonicContact NH2-OE1 3.75Å; R84-E86 PolarHBondContact NH2-OE1 3.08Å; E86-A92 CarbonylContact O-C 3.18Å; E86-A92 WeakPolarHBondContact O-CA 3.4Å; E86-R93 PolarHBondContact N-O 3.18Å; E86-R93 PolarHBondContact O-N 2.93Å; E86-V95 HydrophobicContact CG-CG2 4.4Å; E86-W432 PolarHBondContact OE1-NE1 3.13Å |
| 87 | I | 83.2 | Confident | 85.3 | Confident | 28 Ų | 28 | 49.2 Ų | 49.2 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120 | 175.9 | -59.9 | 171.6 | 0 | 0 | 0 | 107.5 | N91 D429 T430 I1199 T1200 | I87-N91 WeakPolarHBondContact CA-O 3.33Å; I87-D429 CarbonylContact O-C 3.48Å; I87-D429 WeakPolarHBondContact O-CA 3.34Å; I87-T430 HydrophobicContact CB-CG2 3.99Å; I87-T430 HydrophobicContact CD1-CG2 4.34Å; I87-T430 HydrophobicContact CG1-CG2 4.25Å; I87-T430 PolarHBondContact N-OG1 2.99Å; I87-T430 PolarHBondContact O-N 2.88Å; I87-T430 PolarHBondContact O-OG1 2.84Å; I87-I1199 HydrophobicContact CD1-CG2 3.68Å; I87-T1200 HydrophobicContact CD1-CG2 4.19Å; I87-T1200 HydrophobicContact CG1-CG2 4.35Å |
| 88 | C | 82.8 | Confident | 85.8 | Confident | 47 Ų | 47 | 48.9 Ų | 48.9 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 121 | -179.9 | -64.1 | 0 | 0 | 0 | 0 | 110.1 | G90 N91 | C88-G90 PolarHBondContact O-N 3.34Å; C88-N91 PolarHBondContact N-O 3.48Å; C88-N91 PolarHBondContact O-N 2.9Å |
| 89 | S | 81.4 | Confident | 86.2 | Confident | 106 Ų | 106 | 45.6 Ų | 45.6 | 74% | 0.741 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 41.7 | -177.6 | -55.5 | 0 | 0 | 0 | 0 | 112.8 | N91 D429 | S89-N91 PolarHBondContact O-N 3.45Å; S89-D429 WeakPolarHBondContact CA-OD1 3.44Å; S89-D429 PolarHBondContact N-OD1 2.9Å |
| 90 | G | 75.3 | Confident | 86.7 | Confident | 66 Ų | 66 | 44.8 Ų | 44.8 | 68% | 0.68 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | -5.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | C88 | C88-G90 PolarHBondContact O-N 3.34Š|
| 91 | N | 82.1 | Confident | 87.1 | Confident | 124 Ų | 124 | 46.2 Ų | 46.2 | 66% | 0.663 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 143.6 | 177.2 | -70.8 | -32 | 0 | 0 | 0 | 111.5 | I87 C88 S89 | I87-N91 WeakPolarHBondContact CA-O 3.33Å; C88-N91 PolarHBondContact N-O 3.48Å; C88-N91 PolarHBondContact O-N 2.9Å; S89-N91 PolarHBondContact O-N 3.45Å |
| 92 | A | 83.7 | Confident | 87.4 | Confident | 59 Ų | 59 | 46.1 Ų | 46.1 | 49% | 0.488 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 125.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | R85 E86 | R85-A92 HydrophobicContact CG-CB 4.02Å; E86-A92 CarbonylContact O-C 3.18Å; E86-A92 WeakPolarHBondContact O-CA 3.4Å |
| 93 | R | 86.4 | Confident | 87.7 | Confident | 162 Ų | 162 | 45 Ų | 45 | 61% | 0.611 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.1 | 175.5 | -177 | -179.3 | -179.6 | -179.4 | 0.5 | 109.5 | E86 | E86-R93 PolarHBondContact N-O 3.18Å; E86-R93 PolarHBondContact O-N 2.93Å |
| 94 | Y | 88.7 | Confident | 87.9 | Confident | 84 Ų | 84 | 46.9 Ų | 46.9 | 33% | 0.329 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 137 | 173.2 | -66 | -90.4 | 0 | 0 | 0 | 110.4 | R84 R85 E137 D138 | R84-Y94 WeakPolarHBondContact O-CA 3.46Å; R85-Y94 HydrophobicContact CB-CD1 4.39Å; R85-Y94 HydrophobicContact CB-CE1 4.24Å; R85-Y94 HydrophobicContact CG-CE1 4.19Å; Y94-E137 HydrophobicContact CD1-CB 4.09Å; Y94-E137 HydrophobicContact CE1-CB 3.66Å; Y94-D138 HydrophobicContact CD1-CB 4.48Å; Y94-D138 HydrophobicContact CD2-CB 3.86Å; Y94-D138 HydrophobicContact CE2-CB 4.45Å; Y94-D138 HydrophobicContact CG-CB 3.88Å |
| 95 | V | 88.1 | Confident | 88.3 | Confident | 33 Ų | 33 | 49.9 Ų | 49.9 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120.6 | -179.9 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | Q83 R84 E86 Q97 | Q83-V95 WeakPolarHBondContact CA-O 3.14Å; R84-V95 HydrophobicContact CG-CB 3.97Å; R84-V95 PolarHBondContact N-O 2.97Å; R84-V95 PolarHBondContact O-N 3.37Å; E86-V95 HydrophobicContact CG-CG2 4.4Å; V95-Q97 PolarHBondContact O-N 2.7Å; V95-Q97 PolarHBondContact O-NE2 2.89Å |
| 96 | D | 91.8 | Very high | 88.6 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 127.1 | -179.4 | -68.3 | -15.5 | 0 | 0 | 0 | 111.9 | Q83 V100 R101 R140 | Q83-D96 PolarHBondContact NE2-OD1 2.68Å; D96-V100 HydrophobicContact CB-CB 4.16Å; D96-V100 HydrophobicContact CB-CG1 3.88Å; D96-R101 HydrophobicContact CB-CG 3.94Å; D96-R101 WeakPolarHBondContact O-CD 3.14Å; D96-R101 PolarHBondContact O-NE 3.4Å; D96-R140 VanDerWaalsContact CG-NH2 3.29Å; D96-R140 IonicContact OD1-CZ 3.57Å; D96-R140 IonicContact OD1-NH1 3.43Å; D96-R140 IonicContact OD1-NH2 3.71Å; D96-R140 PolarHBondContact OD1-NH2 3.32Å; D96-R140 IonicContact OD2-CZ 2.82Å; D96-R140 IonicContact OD2-NH1 4Å; D96-R140 PolarHBondContact OD2-NH1 2.82Å; D96-R140 VanDerWaalsContact OD2-NH1 3.08Å; D96-R140 IonicContact OD2-NH2 3.7Å; D96-R140 PolarHBondContact OD2-NH2 3.13Å; D96-R140 VanDerWaalsContact OD2-NH2 3.07Å |
| 97 | Q | 91.5 | Very high | 89.1 | Confident | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | trans | -91.6 | -176.2 | 178.2 | -63.6 | -45.4 | -61.3 | 0 | 0 | 112.8 | A79 D80 K82 R84 V95 A99 V100 R101 | A79-Q97 WeakPolarHBondContact O-CG 3.44Å; D80-Q97 VanDerWaalsContact O-CB 3.32Å; D80-Q97 WeakPolarHBondContact O-CB 3.5Å; K82-Q97 WeakPolarHBondContact O-CB 3.41Å; K82-Q97 PolarHBondContact O-N 3.26Å; R84-Q97 VanDerWaalsContact CD-NE2 3.26Å; R84-Q97 VanDerWaalsContact CG-NE2 3.31Å; R84-Q97 VanDerWaalsContact NH1-OE1 3.15Å; V95-Q97 PolarHBondContact O-N 2.7Å; V95-Q97 PolarHBondContact O-NE2 2.89Å; Q97-A99 PolarHBondContact O-N 3.25Å; Q97-V100 PolarHBondContact O-N 3.47Å; Q97-R101 WeakPolarHBondContact O-CB 3.22Å; Q97-R101 WeakPolarHBondContact O-CG 3.24Å; Q97-R101 PolarHBondContact O-N 3.06Å | ||
| 98 | A | 90.3 | Very high | 89.7 | Confident | 5 Ų | 5 | 47 Ų | 47 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -51.6 | -46.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E68 L70 A102 L109 | E68-A98 HydrophobicContact CB-CB 4.09Å; L70-A98 HydrophobicContact CB-CB 4.19Å; A98-A102 VanDerWaalsContact O-CB 3.24Å; A98-A102 WeakPolarHBondContact O-CB 3.37Å; A98-A102 PolarHBondContact O-N 3.2Å; A98-L109 HydrophobicContact CB-CD1 4.16Å |
| 99 | A | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.6 | -41.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I81 Q97 A103 L109 L128 | I81-A99 HydrophobicContact CG2-CB 4Å; I81-A99 WeakPolarHBondContact O-CB 3.48Å; Q97-A99 PolarHBondContact O-N 3.25Å; A99-A103 WeakPolarHBondContact O-CB 3.11Å; A99-A103 PolarHBondContact O-N 2.72Å; A99-L109 HydrophobicContact CB-CD2 3.8Å; A99-L128 HydrophobicContact CB-CD2 4.02Å |
| 100 | V | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70 | -46 | 179.3 | 179.6 | 0 | 0 | 0 | 0 | 111 | K82 D96 Q97 A102 A103 L104 M134 L136 L142 | K82-V100 WeakPolarHBondContact O-CG2 3.29Å; D96-V100 HydrophobicContact CB-CB 4.16Å; D96-V100 HydrophobicContact CB-CG1 3.88Å; Q97-V100 PolarHBondContact O-N 3.47Å; V100-A102 VanDerWaalsContact C-N 3.27Å; V100-A102 PolarHBondContact O-N 3.48Å; V100-A103 PolarHBondContact O-N 2.72Å; V100-L104 HydrophobicContact CG1-CD1 3.8Å; V100-L104 HydrophobicContact CG1-CG 4.3Å; V100-L104 WeakPolarHBondContact O-CB 3.28Å; V100-L104 WeakPolarHBondContact O-CG 3.3Å; V100-L104 PolarHBondContact O-N 3.07Å; V100-M134 HydrophobicContact CG2-SD 4.16Å; V100-L136 HydrophobicContact CG1-CD1 3.93Å; V100-L136 HydrophobicContact CG1-CD2 4.47Å; V100-L136 HydrophobicContact CG2-CD2 3.59Å; V100-L142 HydrophobicContact CG1-CD1 4.4Å |
| 101 | R | 92.8 | Very high | 91.8 | Very high | 59 Ų | 59 | 36.8 Ų | 36.8 | 22% | 0.223 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.1 | -37.4 | 176.3 | -71 | -171.9 | -65 | 177.1 | -2.1 | 112.1 | E68 D96 Q97 N105 | E68-R101 HydrophobicContact CG-CB 4.22Å; E68-R101 IonicContact OE2-CZ 3.08Å; E68-R101 IonicContact OE2-NE 2.65Å; E68-R101 IonicContact OE2-NH2 2.77Å; D96-R101 HydrophobicContact CB-CG 3.94Å; D96-R101 WeakPolarHBondContact O-CD 3.14Å; D96-R101 PolarHBondContact O-NE 3.4Å; Q97-R101 WeakPolarHBondContact O-CB 3.22Å; Q97-R101 WeakPolarHBondContact O-CG 3.24Å; Q97-R101 PolarHBondContact O-N 3.06Å; R101-N105 WeakPolarHBondContact O-CB 3.25Å; R101-N105 PolarHBondContact O-N 2.84Å; R101-N105 PolarHBondContact O-ND2 2.79Å |
| 102 | A | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.1 | -44.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E68 A98 V100 G106 R107 L109 F172 | E68-A102 HydrophobicContact CB-CB 4.04Å; E68-A102 HydrophobicContact CG-CB 3.88Å; A98-A102 VanDerWaalsContact O-CB 3.24Å; A98-A102 WeakPolarHBondContact O-CB 3.37Å; A98-A102 PolarHBondContact O-N 3.2Å; V100-A102 VanDerWaalsContact C-N 3.27Å; V100-A102 PolarHBondContact O-N 3.48Å; A102-G106 PolarHBondContact O-N 2.88Å; A102-R107 HydrophobicContact CB-CB 4.23Å; A102-R107 PolarHBondContact O-N 3.49Å; A102-L109 HydrophobicContact CB-CB 3.94Å; A102-L109 HydrophobicContact CB-CD1 4.39Å; A102-F172 VanDerWaalsContact C-CD2 3.4Å; A102-F172 HydrophobicContact CB-CD2 3.94Å; A102-F172 HydrophobicContact CB-CE2 3.62Å; A102-F172 WeakPolarHBondContact O-CD2 3.47Å |
| 103 | A | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A99 V100 L128 L142 V168 D169 F172 | A99-A103 WeakPolarHBondContact O-CB 3.11Å; A99-A103 PolarHBondContact O-N 2.72Å; V100-A103 PolarHBondContact O-N 2.72Å; A103-L128 HydrophobicContact CB-CD1 4.13Å; A103-L142 HydrophobicContact CB-CD1 4.05Å; A103-V168 HydrophobicContact CB-CG1 4.04Å; A103-V168 HydrophobicContact CB-CG2 4.22Å; A103-D169 PolarHBondContact O-N 3.16Å; A103-F172 VanDerWaalsContact CA-CD2 3.49Å; A103-F172 HydrophobicContact CB-CD2 4.24Å; A103-F172 HydrophobicContact CB-CE2 4.22Å; A103-F172 HydrophobicContact CB-CG 4.38Å; A103-F172 HydrophobicContact CB-CZ 4.36Å |
| 104 | L | 94.4 | Very high | 92.5 | Very high | 47 Ų | 47 | 21.2 Ų | 21.2 | 25% | 0.246 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.8 | -38.4 | -179.1 | -70.6 | 174.4 | 0 | 0 | 0 | 112.9 | V100 L142 C166 | V100-L104 HydrophobicContact CG1-CD1 3.8Å; V100-L104 HydrophobicContact CG1-CG 4.3Å; V100-L104 WeakPolarHBondContact O-CB 3.28Å; V100-L104 WeakPolarHBondContact O-CG 3.3Å; V100-L104 PolarHBondContact O-N 3.07Å; L104-L142 HydrophobicContact CD2-CD2 3.63Å; L104-L142 HydrophobicContact CG-CD2 4.2Å; L104-C166 HydrophobicContact CD2-CB 3.87Å |
| 105 | N | 94.5 | Very high | 92.4 | Very high | 76 Ų | 76 | 17.4 Ų | 17.4 | 41% | 0.406 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -97.4 | -1.5 | -173.8 | -61 | -55.7 | 0 | 0 | 0 | 114 | R101 R107 | R101-N105 WeakPolarHBondContact O-CB 3.25Å; R101-N105 PolarHBondContact O-N 2.84Å; R101-N105 PolarHBondContact O-ND2 2.79Å; N105-R107 HydrophobicContact CB-CG 3.93Å |
| 106 | G | 93.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 16 Ų | 16 | 5% | 0.052 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 35.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A102 D169 R171 | A102-G106 PolarHBondContact O-N 2.88Å; G106-D169 VanDerWaalsContact CA-CB 3.42Å; G106-D169 VanDerWaalsContact CA-CG 3.48Å; G106-R171 WeakPolarHBondContact O-CB 3.35Å |
| 107 | R | 95.5 | Very high | 91.5 | Very high | 58 Ų | 58 | 14.5 Ų | 14.5 | 22% | 0.219 | 7% | 0.071 | C | C | . | . | P | Polyproline II helix | trans | -92.3 | 160.7 | 179.5 | -52.4 | -179.4 | 166.9 | 156.3 | 3.8 | 110.8 | E66 E68 A102 N105 F172 | E66-R107 HydrophobicContact CB-CB 4.29Å; E66-R107 HydrophobicContact CB-CG 3.78Å; E66-R107 WeakPolarHBondContact O-CA 3.36Å; E66-R107 WeakPolarHBondContact O-CB 3.35Å; E66-R107 IonicContact OE2-CZ 3.17Å; E66-R107 IonicContact OE2-NE 3.54Å; E66-R107 PolarHBondContact OE2-NE 2.88Å; E66-R107 IonicContact OE2-NH2 3.95Å; E66-R107 PolarHBondContact OE2-NH2 2.94Å; E66-R107 VanDerWaalsContact OE2-NH2 3.11Å; E68-R107 IonicContact OE1-CZ 3.42Å; E68-R107 IonicContact OE1-NH1 3.69Å; E68-R107 PolarHBondContact OE1-NH1 3.24Å; A102-R107 HydrophobicContact CB-CB 4.23Å; A102-R107 PolarHBondContact O-N 3.49Å; N105-R107 HydrophobicContact CB-CG 3.93Å; R107-F172 WeakPolarHBondContact O-CD2 3.35Å |
| 108 | F | 96.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 16.9 Ų | 16.9 | 3% | 0.026 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 131.1 | 166.8 | -83.2 | -105.3 | 0 | 0 | 0 | 110.6 | D36 Y59 L60 Q65 E66 Y67 E68 R173 V175 | D36-F108 HydrophobicContact CB-CZ 4.47Å; Y59-F108 HydrophobicContact CE1-CE1 4.35Å; Y59-F108 HydrophobicContact CE1-CZ 4.13Å; L60-F108 HydrophobicContact CD1-CB 4.48Å; L60-F108 HydrophobicContact CD2-CB 3.75Å; L60-F108 HydrophobicContact CD2-CD1 3.76Å; L60-F108 HydrophobicContact CD2-CD2 3.57Å; L60-F108 HydrophobicContact CD2-CE1 4.24Å; L60-F108 HydrophobicContact CD2-CE2 4.08Å; L60-F108 HydrophobicContact CD2-CG 3.39Å; L60-F108 HydrophobicContact CD2-CZ 4.38Å; Q65-F108 HydrophobicContact CB-CD2 3.9Å; Q65-F108 HydrophobicContact CB-CE2 3.97Å; Q65-F108 HydrophobicContact CG-CD2 4.31Å; Q65-F108 HydrophobicContact CG-CE2 3.85Å; E66-F108 PolarHBondContact O-N 2.97Å; Y67-F108 CarbonylContact C-O 3.59Å; Y67-F108 WeakPolarHBondContact CA-O 3.33Å; Y67-F108 WeakPolarHBondContact CB-O 3.44Å; E68-F108 PolarHBondContact N-O 2.9Å; F108-R173 CarbonylContact C-O 3.59Å; F108-R173 WeakPolarHBondContact CA-O 3.43Å; F108-R173 HydrophobicContact CD1-CB 3.68Å; F108-R173 HydrophobicContact CD2-CB 4.48Å; F108-R173 HydrophobicContact CE1-CB 3.48Å; F108-R173 VanDerWaalsContact CE1-CB 3.48Å; F108-R173 HydrophobicContact CE1-CG 3.93Å; F108-R173 HydrophobicContact CE2-CB 4.3Å; F108-R173 HydrophobicContact CE2-CG 4.25Å; F108-R173 HydrophobicContact CG-CB 4.19Å; F108-R173 HydrophobicContact CZ-CB 3.81Å; F108-R173 HydrophobicContact CZ-CG 3.76Å; F108-V175 HydrophobicContact CD1-CG2 3.92Å; F108-V175 HydrophobicContact CE1-CG2 4.22Å |
| 109 | L | 95.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 116.7 | 169.3 | 178.9 | 64.5 | 0 | 0 | 0 | 109.4 | E68 A98 A99 A102 L111 F172 R173 V174 V175 | E68-L109 HydrophobicContact CB-CD1 4.29Å; A98-L109 HydrophobicContact CB-CD1 4.16Å; A99-L109 HydrophobicContact CB-CD2 3.8Å; A102-L109 HydrophobicContact CB-CB 3.94Å; A102-L109 HydrophobicContact CB-CD1 4.39Å; L109-L111 HydrophobicContact CD1-CD2 4.25Å; L109-L111 HydrophobicContact CD2-CD2 3.91Å; L109-L111 HydrophobicContact CD2-CG 4.38Å; L109-L111 HydrophobicContact CG-CD2 3.86Å; L109-L111 HydrophobicContact CG-CG 4.26Å; L109-F172 HydrophobicContact CB-CE2 3.86Å; L109-F172 HydrophobicContact CB-CZ 4.35Å; L109-F172 HydrophobicContact CD2-CE2 4.41Å; L109-F172 HydrophobicContact CD2-CZ 4.26Å; L109-R173 PolarHBondContact N-O 3.3Å; L109-V174 HydrophobicContact CB-CG1 4.45Å; L109-V174 HydrophobicContact CB-CG2 4.19Å; L109-V174 HydrophobicContact CD2-CG1 4.46Å; L109-V174 HydrophobicContact CD2-CG2 4.31Å; L109-V174 WeakPolarHBondContact O-CA 3.32Å; L109-V175 PolarHBondContact O-N 3.11Å |
| 110 | I | 95.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 118.6 | 174.5 | -54.5 | 174.3 | 0 | 0 | 0 | 108.6 | V56 M57 L60 Y67 E68 Y69 L70 V175 L177 | V56-I110 HydrophobicContact CG1-CD1 3.84Å; V56-I110 HydrophobicContact CG1-CG1 4.14Å; M57-I110 HydrophobicContact CE-CD1 3.55Å; M57-I110 HydrophobicContact SD-CD1 4Å; L60-I110 HydrophobicContact CD1-CD1 3.79Å; L60-I110 HydrophobicContact CD1-CG1 4.47Å; Y67-I110 HydrophobicContact CD2-CD1 3.81Å; Y67-I110 HydrophobicContact CE2-CD1 4.38Å; Y67-I110 HydrophobicContact CG-CD1 4.27Å; E68-I110 PolarHBondContact O-N 3.42Å; Y69-I110 HydrophobicContact CD2-CB 3.88Å; Y69-I110 HydrophobicContact CD2-CD1 4.41Å; Y69-I110 HydrophobicContact CD2-CG2 3.75Å; Y69-I110 HydrophobicContact CE2-CG2 4.02Å; L70-I110 PolarHBondContact N-O 3.28Å; I110-V175 VanDerWaalsContact CA-O 3.3Å; I110-V175 WeakPolarHBondContact CA-O 3.47Å; I110-L177 HydrophobicContact CG2-CD1 3.97Å; I110-L177 HydrophobicContact CG2-CG 4.19Å |
| 111 | L | 92.8 | Very high | 88 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 106.3 | 174.8 | -59.7 | -179.2 | 0 | 0 | 0 | 109 | L70 I72 L109 V114 V174 V175 A176 L177 | L70-L111 HydrophobicContact CB-CD2 4.09Å; L70-L111 HydrophobicContact CD2-CD2 3.84Å; L70-L111 HydrophobicContact CG-CD2 4.42Å; I72-L111 HydrophobicContact CD1-CB 4.1Å; I72-L111 HydrophobicContact CD1-CD2 4.34Å; L109-L111 HydrophobicContact CD1-CD2 4.25Å; L109-L111 HydrophobicContact CD2-CD2 3.91Å; L109-L111 HydrophobicContact CD2-CG 4.38Å; L109-L111 HydrophobicContact CG-CD2 3.86Å; L109-L111 HydrophobicContact CG-CG 4.26Å; L111-V114 HydrophobicContact CB-CG2 4.12Å; L111-V174 HydrophobicContact CD1-CG1 3.78Å; L111-V174 HydrophobicContact CG-CG1 3.98Å; L111-V175 PolarHBondContact N-O 2.75Å; L111-A176 HydrophobicContact CB-CB 4.3Å; L111-A176 CarbonylContact O-C 3.37Å; L111-A176 WeakPolarHBondContact O-CA 3.45Å; L111-L177 PolarHBondContact O-N 2.95Å |
| 112 | D | 91.3 | Very high | 87.3 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 129 | -177.7 | -161.1 | 0 | 0 | 0 | 0 | 110.6 | R53 Y69 L70 I72 L177 | R53-D112 IonicContact CZ-OD2 3.58Å; R53-D112 IonicContact NE-OD2 2.73Å; R53-D112 PolarHBondContact NE-OD2 2.76Å; R53-D112 IonicContact NH2-OD2 3.57Å; R53-D112 PolarHBondContact NH2-OD2 3.47Å; R53-D112 VanDerWaalsContact NH2-OD2 3.12Å; Y69-D112 HydrophobicContact CE2-CB 3.74Å; Y69-D112 VanDerWaalsContact OH-CB 3.27Å; Y69-D112 WeakPolarHBondContact OH-CB 3.4Å; Y69-D112 PolarHBondContact OH-OD2 2.77Å; L70-D112 PolarHBondContact O-N 2.9Å; I72-D112 PolarHBondContact N-O 2.65Å; D112-L177 HydrophobicContact CB-CB 4.49Å; D112-L177 HydrophobicContact CB-CD1 4.29Å |
| 113 | G | 88.7 | Confident | 86.8 | Confident | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | trans | 87.2 | 32.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E115 Q116 L177 | G113-E115 PolarHBondContact O-N 2.77Å; G113-E115 VanDerWaalsContact O-N 3.17Å; G113-Q116 WeakPolarHBondContact O-CB 3.5Å; G113-Q116 PolarHBondContact O-N 2.86Å; G113-L177 PolarHBondContact N-O 3.11Å | ||
| 114 | V | 86.9 | Confident | 86.2 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -57.9 | -31.5 | -177.8 | -166.2 | 0 | 0 | 0 | 0 | 112.5 | Y43 I72 L111 Q116 A117 L122 A176 L189 L193 | Y43-V114 HydrophobicContact CE2-CG2 4.33Å; I72-V114 HydrophobicContact CD1-CG2 4.25Å; L111-V114 HydrophobicContact CB-CG2 4.12Å; V114-Q116 PolarHBondContact O-N 2.65Å; V114-A117 WeakPolarHBondContact O-CB 3.35Å; V114-A117 PolarHBondContact O-N 2.99Å; V114-L122 HydrophobicContact CG1-CD1 3.92Å; V114-L122 HydrophobicContact CG1-CD2 3.62Å; V114-L122 HydrophobicContact CG1-CG 4.44Å; V114-A176 HydrophobicContact CG2-CB 3.9Å; V114-L189 HydrophobicContact CB-CD2 4.12Å; V114-L189 HydrophobicContact CG1-CD2 3.41Å; V114-L189 VanDerWaalsContact CG1-CD2 3.41Å; V114-L193 HydrophobicContact CG1-CD2 3.95Å |
| 115 | E | 86 | Confident | 85.8 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -66.3 | -17 | 175.2 | 70.2 | -74.2 | 170.8 | 0 | 0 | 114.2 | G113 G178 L179 V181 H187 | G113-E115 PolarHBondContact O-N 2.77Å; G113-E115 VanDerWaalsContact O-N 3.17Å; E115-G178 WeakPolarHBondContact OE2-CA 3.21Å; E115-L179 HydrophobicContact CG-CB 4.19Å; E115-L179 PolarHBondContact OE2-N 3.47Å; E115-L179 VanDerWaalsContact OE2-N 3.11Å; E115-V181 HydrophobicContact CB-CG2 4.05Å; E115-H187 PolarHBondContact O-N 3.08Å; E115-H187 PolarHBondContact O-ND1 3.31Å |
| 116 | Q | 82.9 | Confident | 85.4 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -92.9 | -9.6 | -178.3 | -55.5 | -160.2 | -32.4 | 0 | 0 | 113.3 | R74 G113 V114 N461 | R74-Q116 PolarHBondContact N-O 3.19Å; G113-Q116 WeakPolarHBondContact O-CB 3.5Å; G113-Q116 PolarHBondContact O-N 2.86Å; V114-Q116 PolarHBondContact O-N 2.65Å; Q116-N461 PolarHBondContact NE2-ND2 2.98Å; Q116-N461 PolarHBondContact OE1-ND2 3.18Å |
| 117 | A | 77.7 | Confident | 85.1 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -64.5 | 143.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I72 V114 V121 L122 H187 | I72-A117 HydrophobicContact CG2-CB 3.51Å; V114-A117 WeakPolarHBondContact O-CB 3.35Å; V114-A117 PolarHBondContact O-N 2.99Å; A117-V121 HydrophobicContact CB-CB 4.5Å; A117-L122 HydrophobicContact CB-CD1 3.8Å; A117-L122 HydrophobicContact CB-CD2 3.73Å; A117-L122 HydrophobicContact CB-CG 3.53Å; A117-H187 PolarHBondContact O-ND1 3.31Å |
| 118 | E | 73.6 | Confident | 84.9 | Confident | 66 Ų | 66 | 30 Ų | 30 | 31% | 0.308 | 15% | 0.148 | S | C | . | . | trans | -68.7 | 154.4 | 164.1 | -71 | -166.8 | 165.8 | 0 | 0 | 111 | N120 V121 | E118-N120 WeakPolarHBondContact CB-OD1 3.48Å; E118-N120 PolarHBondContact O-N 2.93Å; E118-N120 VanDerWaalsContact O-N 3.1Å; E118-N120 PolarHBondContact OE2-OD1 2.88Å; E118-V121 HydrophobicContact CB-CG2 4.12Å; E118-V121 PolarHBondContact O-N 3.45Å | ||
| 119 | R | 71.1 | Confident | 84.6 | Confident | 192 Ų | 192 | 30.2 Ų | 30.2 | 73% | 0.725 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.7 | -173.6 | -65.3 | -172.9 | -177.7 | -171.5 | 1.4 | 114.3 | P123 | R119-P123 WeakPolarHBondContact O-CD 3.45Å; R119-P123 VanDerWaalsContact O-CG 3.28Å; R119-P123 WeakPolarHBondContact O-CG 3.42Å |
| 120 | N | 71.6 | Confident | 84.2 | Confident | 78 Ų | 78 | 34.1 Ų | 34.1 | 42% | 0.417 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -19.6 | 178.4 | 55.8 | -16.6 | 0 | 0 | 0 | 113.7 | E118 I124 | E118-N120 WeakPolarHBondContact CB-OD1 3.48Å; E118-N120 PolarHBondContact O-N 2.93Å; E118-N120 VanDerWaalsContact O-N 3.1Å; E118-N120 PolarHBondContact OE2-OD1 2.88Å; N120-I124 WeakPolarHBondContact O-CG1 3.44Å |
| 121 | V | 78 | Confident | 84 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -47.9 | -173.4 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | T76 I81 A117 E118 I124 | T76-V121 HydrophobicContact CG2-CG1 4.29Å; T76-V121 WeakPolarHBondContact O-CG2 3.38Å; I81-V121 HydrophobicContact CD1-CG1 3.51Å; A117-V121 HydrophobicContact CB-CB 4.5Å; E118-V121 HydrophobicContact CB-CG2 4.12Å; E118-V121 PolarHBondContact O-N 3.45Å; V121-I124 VanDerWaalsContact O-CB 3.22Å; V121-I124 WeakPolarHBondContact O-CB 3.32Å; V121-I124 VanDerWaalsContact O-CG1 3.29Å; V121-I124 WeakPolarHBondContact O-CG1 3.42Å; V121-I124 PolarHBondContact O-N 2.92Å |
| 122 | L | 79.2 | Confident | 84 | Confident | 17 Ų | 17 | 39.5 Ų | 39.5 | 9% | 0.089 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -36.1 | -175.8 | -66.1 | 177.6 | 0 | 0 | 0 | 114.8 | I72 V114 A117 I124 V125 L189 L193 | I72-L122 HydrophobicContact CD1-CD2 4.28Å; V114-L122 HydrophobicContact CG1-CD1 3.92Å; V114-L122 HydrophobicContact CG1-CD2 3.62Å; V114-L122 HydrophobicContact CG1-CG 4.44Å; A117-L122 HydrophobicContact CB-CD1 3.8Å; A117-L122 HydrophobicContact CB-CD2 3.73Å; A117-L122 HydrophobicContact CB-CG 3.53Å; L122-I124 PolarHBondContact O-N 2.75Å; L122-V125 PolarHBondContact O-N 2.86Å; L122-L189 HydrophobicContact CD1-CD2 4.09Å; L122-L193 HydrophobicContact CB-CD2 4.01Å; L122-L193 HydrophobicContact CD1-CD2 3.7Å; L122-L193 HydrophobicContact CD2-CD2 4.07Å; L122-L193 HydrophobicContact CG-CD2 4.13Å |
| 123 | P | 82.7 | Confident | 84.1 | Confident | 67 Ų | 67 | 41 Ų | 41 | 44% | 0.435 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -56.8 | -28.6 | 173.5 | -29.1 | 37.1 | 0 | 0 | 0 | 114.3 | R119 V125 N126 | R119-P123 WeakPolarHBondContact O-CD 3.45Å; R119-P123 VanDerWaalsContact O-CG 3.28Å; R119-P123 WeakPolarHBondContact O-CG 3.42Å; P123-V125 PolarHBondContact O-N 3.43Å; P123-N126 VanDerWaalsContact O-CB 3.29Å; P123-N126 WeakPolarHBondContact O-CB 3.33Å; P123-N126 PolarHBondContact O-N 3.38Å; P123-N126 VanDerWaalsContact O-N 3.13Å |
| 124 | I | 82.9 | Confident | 84.3 | Confident | 39 Ų | 39 | 41.3 Ų | 41.3 | 20% | 0.2 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -34.6 | -178.8 | -56.7 | 172.6 | 0 | 0 | 0 | 111.2 | E78 K82 N120 V121 L122 | E78-I124 HydrophobicContact CB-CD1 3.81Å; E78-I124 HydrophobicContact CG-CD1 4.21Å; E78-I124 HydrophobicContact CG-CG2 4.06Å; K82-I124 HydrophobicContact CD-CG2 4.28Å; K82-I124 VanDerWaalsContact CE-CG2 3.5Å; K82-I124 HydrophobicContact CG-CG2 4.23Å; N120-I124 WeakPolarHBondContact O-CG1 3.44Å; V121-I124 VanDerWaalsContact O-CB 3.22Å; V121-I124 WeakPolarHBondContact O-CB 3.32Å; V121-I124 VanDerWaalsContact O-CG1 3.29Å; V121-I124 WeakPolarHBondContact O-CG1 3.42Å; V121-I124 PolarHBondContact O-N 2.92Å; L122-I124 PolarHBondContact O-N 2.75Å |
| 125 | V | 85.1 | Confident | 84.5 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -91.3 | -11.2 | -177.6 | -139.4 | 0 | 0 | 0 | 0 | 112.3 | I81 L122 P123 N127 L128 L129 M134 | I81-V125 HydrophobicContact CD1-CG2 4.06Å; I81-V125 HydrophobicContact CG2-CG1 4.41Å; I81-V125 HydrophobicContact CG2-CG2 4.09Å; L122-V125 PolarHBondContact O-N 2.86Å; P123-V125 PolarHBondContact O-N 3.43Å; V125-N127 PolarHBondContact O-N 3.07Å; V125-L128 HydrophobicContact CG1-CB 4.37Å; V125-L128 HydrophobicContact CG1-CD2 4.17Å; V125-L128 WeakPolarHBondContact O-CB 3.33Å; V125-L128 PolarHBondContact O-N 3.47Å; V125-L129 HydrophobicContact CB-CD1 4.45Å; V125-L129 HydrophobicContact CG1-CG 4.41Å; V125-L129 WeakPolarHBondContact O-CG 3.46Å; V125-L129 PolarHBondContact O-N 2.89Å; V125-M134 HydrophobicContact CG1-CE 4.35Å |
| 126 | N | 86.2 | Confident | 84.8 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 16% | 0.16 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -42.7 | -170.4 | -168.1 | 23 | 0 | 0 | 0 | 112.6 | P123 L128 L129 E130 R196 | P123-N126 VanDerWaalsContact O-CB 3.29Å; P123-N126 WeakPolarHBondContact O-CB 3.33Å; P123-N126 PolarHBondContact O-N 3.38Å; P123-N126 VanDerWaalsContact O-N 3.13Å; N126-L128 VanDerWaalsContact C-N 3.35Å; N126-L128 PolarHBondContact O-N 3.48Å; N126-L129 PolarHBondContact O-N 3.41Å; N126-E130 WeakPolarHBondContact O-CB 3.49Å; N126-E130 PolarHBondContact O-N 3.17Å; N126-R196 PolarHBondContact OD1-NE 3.48Å |
| 127 | N | 88 | Confident | 85 | Confident | 93 Ų | 93 | 52.9 Ų | 52.9 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.4 | -32.7 | 177.3 | -75.3 | -8.7 | 0 | 0 | 0 | 112.9 | V125 L129 N131 R132 E133 | V125-N127 PolarHBondContact O-N 3.07Å; N127-L129 VanDerWaalsContact C-N 3.34Å; N127-N131 PolarHBondContact O-N 3.38Å; N127-R132 PolarHBondContact O-N 2.99Å; N127-E133 CarbonylContact C-O 3.37Å; N127-E133 WeakPolarHBondContact CB-O 3.4Å; N127-E133 PolarHBondContact O-N 3.5Å |
| 128 | L | 91.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.7 | -34.5 | 175.6 | -179.3 | 65.5 | 0 | 0 | 0 | 111.1 | A99 A103 V125 N126 R132 E133 M134 L142 F172 | A99-L128 HydrophobicContact CB-CD2 4.02Å; A103-L128 HydrophobicContact CB-CD1 4.13Å; V125-L128 HydrophobicContact CG1-CB 4.37Å; V125-L128 HydrophobicContact CG1-CD2 4.17Å; V125-L128 WeakPolarHBondContact O-CB 3.33Å; V125-L128 PolarHBondContact O-N 3.47Å; N126-L128 VanDerWaalsContact C-N 3.35Å; N126-L128 PolarHBondContact O-N 3.48Å; L128-R132 VanDerWaalsContact O-CA 3.31Å; L128-R132 WeakPolarHBondContact O-CA 3.38Å; L128-R132 WeakPolarHBondContact O-CD 3.35Å; L128-R132 PolarHBondContact O-N 3.39Å; L128-R132 PolarHBondContact O-NH1 3.07Å; L128-E133 WeakPolarHBondContact CA-O 3.47Å; L128-E133 PolarHBondContact N-O 3.07Å; L128-E133 VanDerWaalsContact N-O 3.08Å; L128-M134 HydrophobicContact CB-CB 4.34Å; L128-M134 HydrophobicContact CB-CE 3.77Å; L128-M134 HydrophobicContact CD1-CB 4.29Å; L128-M134 HydrophobicContact CD2-CE 3.58Å; L128-M134 HydrophobicContact CD2-SD 4.08Å; L128-M134 HydrophobicContact CG-CE 4.24Å; L128-L142 HydrophobicContact CD1-CD1 4.41Å; L128-F172 HydrophobicContact CD1-CE1 4.29Å; L128-F172 HydrophobicContact CD2-CZ 4.2Å; L128-F172 HydrophobicContact CG-CE1 4.17Å; L128-F172 HydrophobicContact CG-CZ 4.3Å |
| 129 | L | 89.3 | Confident | 86.2 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.3 | -40.3 | 175.4 | -63 | 175.3 | 0 | 0 | 0 | 111.9 | V125 N126 N127 R132 V174 L193 R196 F197 | V125-L129 HydrophobicContact CB-CD1 4.45Å; V125-L129 HydrophobicContact CG1-CG 4.41Å; V125-L129 WeakPolarHBondContact O-CG 3.46Å; V125-L129 PolarHBondContact O-N 2.89Å; N126-L129 PolarHBondContact O-N 3.41Å; N127-L129 VanDerWaalsContact C-N 3.34Å; L129-R132 PolarHBondContact O-NH1 2.74Å; L129-V174 HydrophobicContact CD2-CB 3.76Å; L129-V174 HydrophobicContact CD2-CG1 3.81Å; L129-V174 HydrophobicContact CD2-CG2 3.44Å; L129-V174 VanDerWaalsContact CD2-CG2 3.44Å; L129-L193 HydrophobicContact CD1-CD1 3.51Å; L129-R196 HydrophobicContact CB-CB 4.33Å; L129-R196 HydrophobicContact CB-CG 4.28Å; L129-F197 HydrophobicContact CD1-CE2 3.97Å; L129-F197 HydrophobicContact CD1-CZ 3.67Å; L129-F197 HydrophobicContact CD2-CZ 4.2Å |
| 130 | E | 88.7 | Confident | 87.3 | Confident | 83 Ų | 83 | 48.6 Ų | 48.6 | 39% | 0.388 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -77.1 | -64.7 | -178.9 | 179 | 169.5 | -137.1 | 0 | 0 | 113.4 | N126 R196 | N126-E130 WeakPolarHBondContact O-CB 3.49Å; N126-E130 PolarHBondContact O-N 3.17Å; E130-R196 VanDerWaalsContact CB-CZ 3.45Å; E130-R196 VanDerWaalsContact CG-CZ 3.46Å; E130-R196 IonicContact OE1-CZ 2.66Å; E130-R196 IonicContact OE1-NH1 3.34Å; E130-R196 PolarHBondContact OE1-NH1 3.33Å; E130-R196 IonicContact OE1-NH2 3.85Å; E130-R196 PolarHBondContact OE1-NH2 3.3Å; E130-R196 IonicContact OE2-CZ 3.7Å; E130-R196 IonicContact OE2-NH1 2.67Å; E130-R196 IonicContact OE2-NH2 2.85Å; E130-R196 PolarHBondContact OE2-NH2 3.43Å |
| 131 | N | 89.6 | Confident | 88.3 | Confident | 76 Ų | 76 | 47.7 Ų | 47.7 | 41% | 0.406 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -1.8 | -166.7 | -69.2 | -45.3 | 0 | 0 | 0 | 112.3 | N127 E133 S144 | N127-N131 PolarHBondContact O-N 3.38Å; N131-E133 HydrophobicContact CB-CB 4.08Å; N131-E133 HydrophobicContact CB-CG 4.08Å; N131-E133 PolarHBondContact O-N 3.43Å; N131-S144 WeakPolarHBondContact O-CB 3.15Å |
| 132 | R | 93.9 | Very high | 89.1 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 16% | 0.155 | 25% | 0.25 | C | C | . | . | S | Bend | trans | 54.1 | 40.3 | -166.6 | -49 | -48.1 | -168.3 | -170.6 | 0.4 | 110.9 | D41 N127 L128 L129 V143 S144 V168 | D41-R132 IonicContact OD1-CZ 2.68Å; D41-R132 IonicContact OD1-NH1 3.11Å; D41-R132 IonicContact OD1-NH2 2.72Å; D41-R132 PolarHBondContact OD1-NH2 3.34Å; D41-R132 IonicContact OD2-CZ 3.11Å; D41-R132 VanDerWaalsContact OD2-CZ 3.31Å; D41-R132 IonicContact OD2-NH1 3.69Å; D41-R132 PolarHBondContact OD2-NH1 3.16Å; D41-R132 IonicContact OD2-NH2 3.39Å; D41-R132 PolarHBondContact OD2-NH2 2.82Å; N127-R132 PolarHBondContact O-N 2.99Å; L128-R132 VanDerWaalsContact O-CA 3.31Å; L128-R132 WeakPolarHBondContact O-CA 3.38Å; L128-R132 WeakPolarHBondContact O-CD 3.35Å; L128-R132 PolarHBondContact O-N 3.39Å; L128-R132 PolarHBondContact O-NH1 3.07Å; L129-R132 PolarHBondContact O-NH1 2.74Å; R132-V143 CarbonylContact O-C 3.57Å; R132-S144 PolarHBondContact O-N 2.72Å; R132-V168 HydrophobicContact CB-CB 4.24Å; R132-V168 HydrophobicContact CB-CG1 4.08Å; R132-V168 HydrophobicContact CB-CG2 4.38Å; R132-V168 WeakPolarHBondContact O-CG2 3.12Å |
| 133 | E | 92.1 | Very high | 89.8 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | trans | -123.5 | 135.3 | -178.4 | -74.9 | 179.9 | -169.8 | 0 | 0 | 111.1 | N127 L128 N131 L142 R147 | N127-E133 CarbonylContact C-O 3.37Å; N127-E133 WeakPolarHBondContact CB-O 3.4Å; N127-E133 PolarHBondContact O-N 3.5Å; L128-E133 WeakPolarHBondContact CA-O 3.47Å; L128-E133 PolarHBondContact N-O 3.07Å; L128-E133 VanDerWaalsContact N-O 3.08Å; N131-E133 HydrophobicContact CB-CB 4.08Å; N131-E133 HydrophobicContact CB-CG 4.08Å; N131-E133 PolarHBondContact O-N 3.43Å; E133-L142 VanDerWaalsContact CA-O 3.26Å; E133-L142 WeakPolarHBondContact CA-O 3.32Å; E133-R147 WeakPolarHBondContact OE1-CD 3.38Å; E133-R147 IonicContact OE1-CZ 2.98Å; E133-R147 IonicContact OE1-NE 3.65Å; E133-R147 IonicContact OE1-NH1 3.6Å; E133-R147 PolarHBondContact OE1-NH1 2.97Å; E133-R147 IonicContact OE2-NH1 3.81Å; E133-R147 PolarHBondContact OE2-NH1 3.46Å; E133-R147 VanDerWaalsContact OE2-NH1 3.11Å | ||
| 134 | M | 93.2 | Very high | 90.4 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 128.7 | 179 | -178.1 | 178.3 | -93.6 | 0 | 0 | 110 | K82 V100 V125 L128 L136 L142 | K82-M134 HydrophobicContact CD-CG 4.29Å; K82-M134 HydrophobicContact CD-SD 4.28Å; K82-M134 HydrophobicContact CG-CE 4.08Å; K82-M134 HydrophobicContact CG-CG 4.43Å; K82-M134 HydrophobicContact CG-SD 3.77Å; V100-M134 HydrophobicContact CG2-SD 4.16Å; V125-M134 HydrophobicContact CG1-CE 4.35Å; L128-M134 HydrophobicContact CB-CB 4.34Å; L128-M134 HydrophobicContact CB-CE 3.77Å; L128-M134 HydrophobicContact CD1-CB 4.29Å; L128-M134 HydrophobicContact CD2-CE 3.58Å; L128-M134 HydrophobicContact CD2-SD 4.08Å; L128-M134 HydrophobicContact CG-CE 4.24Å; M134-L136 HydrophobicContact CG-CD2 4.09Å; M134-L136 HydrophobicContact SD-CD2 4.09Å; M134-L142 HydrophobicContact CB-CB 4.2Å; M134-L142 HydrophobicContact CB-CD1 4.11Å; M134-L142 HydrophobicContact CB-CG 4.34Å; M134-L142 PolarHBondContact N-O 3.1Å; M134-L142 WeakPolarHBondContact O-CB 3.4Å; M134-L142 PolarHBondContact O-N 3.27Å |
| 135 | Q | 91.8 | Very high | 90.7 | Very high | 140 Ų | 140 | 43.3 Ų | 43.3 | 65% | 0.654 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.9 | 171.8 | -171.3 | 170.9 | 11.5 | 0 | 0 | 109.9 | K82 L141 | K82-Q135 WeakPolarHBondContact CE-O 3.19Å; K82-Q135 PolarHBondContact NZ-O 2.67Å; Q135-L141 HydrophobicContact CB-CD1 4.32Å |
| 136 | L | 92.4 | Very high | 91 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | trans | -104.5 | 154.1 | -179.1 | -57.6 | -176.3 | 0 | 0 | 0 | 110.8 | K82 Q83 V100 M134 D138 G139 R140 L142 | K82-L136 HydrophobicContact CB-CD2 4.43Å; Q83-L136 HydrophobicContact CG-CD2 4.37Å; V100-L136 HydrophobicContact CG1-CD1 3.93Å; V100-L136 HydrophobicContact CG1-CD2 4.47Å; V100-L136 HydrophobicContact CG2-CD2 3.59Å; M134-L136 HydrophobicContact CG-CD2 4.09Å; M134-L136 HydrophobicContact SD-CD2 4.09Å; L136-D138 VanDerWaalsContact C-N 3.32Å; L136-D138 WeakPolarHBondContact CB-OD1 3.43Å; L136-D138 PolarHBondContact O-N 2.76Å; L136-G139 PolarHBondContact O-N 3.06Å; L136-R140 HydrophobicContact CB-CB 4.16Å; L136-R140 WeakPolarHBondContact CB-O 3.1Å; L136-R140 HydrophobicContact CD1-CB 3.86Å; L136-R140 HydrophobicContact CG-CB 4.37Å; L136-R140 PolarHBondContact N-O 3.49Å; L136-L142 HydrophobicContact CD1-CD2 4.02Å; L136-L142 HydrophobicContact CD1-CG 4.1Å; L136-L142 HydrophobicContact CG-CG 4.36Å | ||
| 137 | E | 86.6 | Confident | 91.2 | Very high | 107 Ų | 107 | 57.3 Ų | 57.3 | 50% | 0.5 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -25.2 | -174.2 | -68.9 | -60.3 | 137.6 | 0 | 0 | 112.7 | Q83 Y94 G139 | Q83-E137 VanDerWaalsContact OE1-N 3.1Å; Y94-E137 HydrophobicContact CD1-CB 4.09Å; Y94-E137 HydrophobicContact CE1-CB 3.66Å; E137-G139 PolarHBondContact O-N 2.92Å |
| 138 | D | 88.5 | Confident | 91.3 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 32% | 0.316 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 4.9 | 172.2 | 67.1 | 1.6 | 0 | 0 | 0 | 113.8 | Q83 Y94 L136 R140 | Q83-D138 PolarHBondContact NE2-OD1 2.83Å; Q83-D138 PolarHBondContact NE2-OD2 3.43Å; Y94-D138 HydrophobicContact CD1-CB 4.48Å; Y94-D138 HydrophobicContact CD2-CB 3.86Å; Y94-D138 HydrophobicContact CE2-CB 4.45Å; Y94-D138 HydrophobicContact CG-CB 3.88Å; L136-D138 VanDerWaalsContact C-N 3.32Å; L136-D138 WeakPolarHBondContact CB-OD1 3.43Å; L136-D138 PolarHBondContact O-N 2.76Å; D138-R140 WeakPolarHBondContact OD1-CB 3.09Å; D138-R140 PolarHBondContact OD1-N 3.47Å; D138-R140 IonicContact OD1-NE 2.75Å; D138-R140 PolarHBondContact OD1-NE 2.86Å; D138-R140 IonicContact OD2-CZ 2.69Å; D138-R140 IonicContact OD2-NE 3.94Å; D138-R140 PolarHBondContact OD2-NE 3.34Å; D138-R140 IonicContact OD2-NH2 2.77Å; D138-R140 PolarHBondContact OD2-NH2 3.45Å |
| 139 | G | 87.9 | Confident | 91.3 | Very high | 53 Ų | 53 | 56.3 Ų | 56.3 | 55% | 0.546 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 90.3 | -5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L136 E137 | L136-G139 PolarHBondContact O-N 3.06Å; E137-G139 PolarHBondContact O-N 2.92Å |
| 140 | R | 93.5 | Very high | 91.5 | Very high | 59 Ų | 59 | 58.2 Ų | 58.2 | 22% | 0.223 | 29% | 0.291 | C | S | . | . | trans | -68.8 | 148 | 174.6 | -72.3 | -175.3 | -75.2 | 162.3 | -5.6 | 111.7 | D96 L136 D138 G164 C166 | D96-R140 VanDerWaalsContact CG-NH2 3.29Å; D96-R140 IonicContact OD1-CZ 3.57Å; D96-R140 IonicContact OD1-NH1 3.43Å; D96-R140 IonicContact OD1-NH2 3.71Å; D96-R140 PolarHBondContact OD1-NH2 3.32Å; D96-R140 IonicContact OD2-CZ 2.82Å; D96-R140 IonicContact OD2-NH1 4Å; D96-R140 PolarHBondContact OD2-NH1 2.82Å; D96-R140 VanDerWaalsContact OD2-NH1 3.08Å; D96-R140 IonicContact OD2-NH2 3.7Å; D96-R140 PolarHBondContact OD2-NH2 3.13Å; D96-R140 VanDerWaalsContact OD2-NH2 3.07Å; L136-R140 HydrophobicContact CB-CB 4.16Å; L136-R140 WeakPolarHBondContact CB-O 3.1Å; L136-R140 HydrophobicContact CD1-CB 3.86Å; L136-R140 HydrophobicContact CG-CB 4.37Å; L136-R140 PolarHBondContact N-O 3.49Å; D138-R140 WeakPolarHBondContact OD1-CB 3.09Å; D138-R140 PolarHBondContact OD1-N 3.47Å; D138-R140 IonicContact OD1-NE 2.75Å; D138-R140 PolarHBondContact OD1-NE 2.86Å; D138-R140 IonicContact OD2-CZ 2.69Å; D138-R140 IonicContact OD2-NE 3.94Å; D138-R140 PolarHBondContact OD2-NE 3.34Å; D138-R140 IonicContact OD2-NH2 2.77Å; D138-R140 PolarHBondContact OD2-NH2 3.45Å; R140-G164 CarbonylContact C-O 3.56Å; R140-G164 WeakPolarHBondContact CA-O 3.47Å; R140-C166 VanDerWaalsContact CD-SG 3.58Å | ||
| 141 | L | 94 | Very high | 91.6 | Very high | 60 Ų | 60 | 56.2 Ų | 56.2 | 31% | 0.314 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 113.7 | 173.8 | -180 | 65.3 | 0 | 0 | 0 | 109.7 | Q135 V143 G164 C166 | Q135-L141 HydrophobicContact CB-CD1 4.32Å; L141-V143 HydrophobicContact CD2-CG1 4.04Å; L141-V143 HydrophobicContact CG-CG1 3.98Å; L141-G164 PolarHBondContact N-O 2.88Å; L141-C166 PolarHBondContact O-N 3.04Å |
| 142 | L | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 131.5 | 169.7 | -57.8 | -170 | 0 | 0 | 0 | 109.2 | V100 A103 L104 L128 E133 M134 L136 C166 V168 | V100-L142 HydrophobicContact CG1-CD1 4.4Å; A103-L142 HydrophobicContact CB-CD1 4.05Å; L104-L142 HydrophobicContact CD2-CD2 3.63Å; L104-L142 HydrophobicContact CG-CD2 4.2Å; L128-L142 HydrophobicContact CD1-CD1 4.41Å; E133-L142 VanDerWaalsContact CA-O 3.26Å; E133-L142 WeakPolarHBondContact CA-O 3.32Å; M134-L142 HydrophobicContact CB-CB 4.2Å; M134-L142 HydrophobicContact CB-CD1 4.11Å; M134-L142 HydrophobicContact CB-CG 4.34Å; M134-L142 PolarHBondContact N-O 3.1Å; M134-L142 WeakPolarHBondContact O-CB 3.4Å; M134-L142 PolarHBondContact O-N 3.27Å; L136-L142 HydrophobicContact CD1-CD2 4.02Å; L136-L142 HydrophobicContact CD1-CG 4.1Å; L136-L142 HydrophobicContact CG-CG 4.36Å; L142-C166 WeakPolarHBondContact CA-O 2.85Å; L142-C166 HydrophobicContact CD2-CB 3.82Å; L142-V168 HydrophobicContact CB-CG2 3.81Å; L142-V168 HydrophobicContact CD1-CG2 4.45Å |
| 143 | V | 94.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 150.9 | 175.2 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | R132 L141 Y148 I165 C166 V168 | R132-V143 CarbonylContact O-C 3.57Å; L141-V143 HydrophobicContact CD2-CG1 4.04Å; L141-V143 HydrophobicContact CG-CG1 3.98Å; V143-Y148 HydrophobicContact CG2-CD2 3.93Å; V143-Y148 HydrophobicContact CG2-CG 4.5Å; V143-I165 HydrophobicContact CG1-CG2 4.17Å; V143-I165 HydrophobicContact CG2-CG2 3.5Å; V143-C166 PolarHBondContact N-O 2.9Å; V143-V168 PolarHBondContact O-N 3.17Å |
| 144 | S | 93.8 | Very high | 91.5 | Very high | 27 Ų | 27 | 67.9 Ų | 67.9 | 19% | 0.189 | 34% | 0.336 | C | S | . | . | trans | -56.6 | 146.6 | 175.7 | 67 | 0 | 0 | 0 | 0 | 112.2 | N131 R132 R146 R147 Y148 | N131-S144 WeakPolarHBondContact O-CB 3.15Å; R132-S144 PolarHBondContact O-N 2.72Å; S144-R146 PolarHBondContact O-N 2.88Å; S144-R147 PolarHBondContact O-N 3.47Å; S144-R147 VanDerWaalsContact OG-CB 3.31Å; S144-R147 WeakPolarHBondContact OG-CB 3.29Å; S144-R147 PolarHBondContact OG-N 3.41Å; S144-Y148 PolarHBondContact O-N 3.12Å | ||
| 145 | S | 90.1 | Very high | 91.2 | Very high | 7 Ų | 7 | 71 Ų | 71 | 5% | 0.049 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -49.8 | -42.7 | 175.5 | -179.7 | 0 | 0 | 0 | 0 | 113.1 | Y148 S149 K167 D170 | S145-Y148 PolarHBondContact O-N 3.04Å; S145-S149 PolarHBondContact O-N 3.47Å; S145-S149 PolarHBondContact O-OG 2.98Å; S145-S149 VanDerWaalsContact O-OG 3.07Å; S145-K167 WeakPolarHBondContact OG-CE 3.32Å; S145-K167 PolarHBondContact OG-NZ 3.22Å; S145-D170 WeakPolarHBondContact CB-OD1 3.45Å; S145-D170 VanDerWaalsContact CB-OD2 3.22Å; S145-D170 WeakPolarHBondContact CB-OD2 3.42Å; S145-D170 PolarHBondContact OG-OD1 3.32Å; S145-D170 PolarHBondContact OG-OD2 2.66Å |
| 146 | R | 90.6 | Very high | 91 | Very high | 211 Ų | 211 | 67 Ų | 67 | 80% | 0.796 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.6 | -44.7 | 178.1 | -65.9 | -177.4 | -178.1 | 176.8 | 0.1 | 112.2 | S144 S149 A150 | S144-R146 PolarHBondContact O-N 2.88Å; R146-S149 PolarHBondContact O-N 3.1Å; R146-A150 PolarHBondContact O-N 3.42Å; R146-A150 VanDerWaalsContact O-N 3.08Å |
| 147 | R | 91 | Very high | 90.8 | Very high | 118 Ų | 118 | 71.9 Ų | 71.9 | 45% | 0.445 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 177.7 | -176.1 | 173.8 | 178.9 | 169.6 | -1.7 | 111.1 | E133 S144 A150 L151 | E133-R147 WeakPolarHBondContact OE1-CD 3.38Å; E133-R147 IonicContact OE1-CZ 2.98Å; E133-R147 IonicContact OE1-NE 3.65Å; E133-R147 IonicContact OE1-NH1 3.6Å; E133-R147 PolarHBondContact OE1-NH1 2.97Å; E133-R147 IonicContact OE2-NH1 3.81Å; E133-R147 PolarHBondContact OE2-NH1 3.46Å; E133-R147 VanDerWaalsContact OE2-NH1 3.11Å; S144-R147 PolarHBondContact O-N 3.47Å; S144-R147 VanDerWaalsContact OG-CB 3.31Å; S144-R147 WeakPolarHBondContact OG-CB 3.29Å; S144-R147 PolarHBondContact OG-N 3.41Å; R147-A150 PolarHBondContact O-N 3.31Å; R147-L151 HydrophobicContact CG-CD1 4.29Å; R147-L151 VanDerWaalsContact O-CG 3.32Å; R147-L151 WeakPolarHBondContact O-CG 3.47Å; R147-L151 PolarHBondContact O-N 3.19Å |
| 148 | Y | 91 | Very high | 90.9 | Very high | 19 Ų | 19 | 72.1 Ų | 72.1 | 8% | 0.075 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 175.8 | -167.4 | -95.4 | 0 | 0 | 0 | 111.7 | V143 S144 S145 A150 L151 L152 L160 I165 K167 | V143-Y148 HydrophobicContact CG2-CD2 3.93Å; V143-Y148 HydrophobicContact CG2-CG 4.5Å; S144-Y148 PolarHBondContact O-N 3.12Å; S145-Y148 PolarHBondContact O-N 3.04Å; Y148-A150 VanDerWaalsContact C-N 3.35Å; Y148-A150 PolarHBondContact O-N 2.53Å; Y148-L151 WeakPolarHBondContact O-CB 3.33Å; Y148-L151 PolarHBondContact O-N 3.07Å; Y148-L151 VanDerWaalsContact O-N 3.11Å; Y148-L152 HydrophobicContact CD1-CD1 3.78Å; Y148-L152 HydrophobicContact CD1-CG 4.15Å; Y148-L152 HydrophobicContact CE1-CD1 3.61Å; Y148-L152 HydrophobicContact CE1-CD2 4.3Å; Y148-L152 HydrophobicContact CE1-CG 3.96Å; Y148-L152 PolarHBondContact O-N 3.26Å; Y148-L160 HydrophobicContact CD2-CD1 4.45Å; Y148-L160 HydrophobicContact CE2-CB 4.45Å; Y148-L160 HydrophobicContact CE2-CD1 3.99Å; Y148-I165 HydrophobicContact CD2-CG2 4.03Å; Y148-I165 HydrophobicContact CE2-CG2 4.22Å; Y148-K167 HydrophobicContact CD1-CB 3.9Å; Y148-K167 HydrophobicContact CD1-CD 3.8Å; Y148-K167 HydrophobicContact CD1-CG 4.12Å; Y148-K167 HydrophobicContact CD2-CB 3.83Å; Y148-K167 HydrophobicContact CE1-CB 4.19Å; Y148-K167 HydrophobicContact CE1-CD 4.34Å; Y148-K167 HydrophobicContact CE2-CB 4.16Å; Y148-K167 HydrophobicContact CG-CB 3.69Å; Y148-K167 HydrophobicContact CG-CD 4.22Å; Y148-K167 HydrophobicContact CG-CG 4.03Å |
| 149 | S | 91.4 | Very high | 90.9 | Very high | 54 Ų | 54 | 73.4 Ų | 73.4 | 38% | 0.378 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 175.8 | -60 | 0 | 0 | 0 | 0 | 112.4 | S145 R146 L151 L152 E153 | S145-S149 PolarHBondContact O-N 3.47Å; S145-S149 PolarHBondContact O-OG 2.98Å; S145-S149 VanDerWaalsContact O-OG 3.07Å; R146-S149 PolarHBondContact O-N 3.1Å; S149-L151 VanDerWaalsContact C-N 3.26Å; S149-L151 PolarHBondContact O-N 2.87Å; S149-L152 PolarHBondContact O-N 3.43Å; S149-E153 PolarHBondContact O-N 3.39Å |
| 150 | A | 92.3 | Very high | 90.9 | Very high | 48 Ų | 48 | 71 Ų | 71 | 40% | 0.397 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.5 | -27.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R146 R147 Y148 | R146-A150 PolarHBondContact O-N 3.42Å; R146-A150 VanDerWaalsContact O-N 3.08Å; R147-A150 PolarHBondContact O-N 3.31Å; Y148-A150 VanDerWaalsContact C-N 3.35Å; Y148-A150 PolarHBondContact O-N 2.53Å |
| 151 | L | 91.3 | Very high | 90.6 | Very high | 41 Ų | 41 | 73.9 Ų | 73.9 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -76.4 | -36.9 | 174.5 | -73.1 | 170.2 | 0 | 0 | 0 | 111.8 | R147 Y148 S149 E153 K154 H155 L160 I165 | R147-L151 HydrophobicContact CG-CD1 4.29Å; R147-L151 VanDerWaalsContact O-CG 3.32Å; R147-L151 WeakPolarHBondContact O-CG 3.47Å; R147-L151 PolarHBondContact O-N 3.19Å; Y148-L151 WeakPolarHBondContact O-CB 3.33Å; Y148-L151 PolarHBondContact O-N 3.07Å; Y148-L151 VanDerWaalsContact O-N 3.11Å; S149-L151 VanDerWaalsContact C-N 3.26Å; S149-L151 PolarHBondContact O-N 2.87Å; L151-E153 PolarHBondContact O-N 3.28Å; L151-K154 PolarHBondContact O-N 3.17Å; L151-H155 PolarHBondContact O-N 3.17Å; L151-L160 HydrophobicContact CB-CD1 4.06Å; L151-L160 HydrophobicContact CB-CD2 3.98Å; L151-L160 HydrophobicContact CD1-CD2 4.42Å; L151-I165 HydrophobicContact CD1-CD1 4.34Å; L151-I165 HydrophobicContact CD1-CG2 4.37Å |
| 152 | L | 91.3 | Very high | 90.3 | Very high | 70 Ų | 70 | 79.8 Ų | 79.8 | 37% | 0.366 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.3 | -23.2 | 174.7 | -76.1 | 173.4 | 0 | 0 | 0 | 113.3 | Y148 S149 K154 H155 E157 L160 | Y148-L152 HydrophobicContact CD1-CD1 3.78Å; Y148-L152 HydrophobicContact CD1-CG 4.15Å; Y148-L152 HydrophobicContact CE1-CD1 3.61Å; Y148-L152 HydrophobicContact CE1-CD2 4.3Å; Y148-L152 HydrophobicContact CE1-CG 3.96Å; Y148-L152 PolarHBondContact O-N 3.26Å; S149-L152 PolarHBondContact O-N 3.43Å; L152-K154 PolarHBondContact O-N 2.92Å; L152-H155 CarbonylContact C-O 3.57Å; L152-H155 WeakPolarHBondContact CA-O 3.17Å; L152-H155 VanDerWaalsContact O-O 3.11Å; L152-E157 HydrophobicContact CD2-CB 3.93Å; L152-E157 HydrophobicContact CD2-CG 4.42Å; L152-L160 HydrophobicContact CD2-CD1 3.65Å; L152-L160 HydrophobicContact CG-CD1 3.91Å |
| 153 | E | 91.3 | Very high | 90.1 | Very high | 168 Ų | 168 | 85 Ų | 85 | 79% | 0.785 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -23.4 | 172.7 | -67.8 | 178.2 | -179.3 | 0 | 0 | 112.7 | S149 L151 | S149-E153 PolarHBondContact O-N 3.39Å; L151-E153 PolarHBondContact O-N 3.28Å |
| 154 | K | 90.4 | Very high | 89.9 | Confident | 171 Ų | 171 | 85.7 Ų | 85.7 | 74% | 0.743 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -26.7 | -175.6 | -64.8 | -177.2 | -178.8 | 178.8 | 0 | 113.9 | L151 L152 | L151-K154 PolarHBondContact O-N 3.17Å; L152-K154 PolarHBondContact O-N 2.92Å |
| 155 | H | 88.1 | Confident | 89.8 | Confident | 74 Ų | 74 | 85.6 Ų | 85.6 | 34% | 0.343 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -128.2 | 148.5 | -174.3 | -66.8 | -69.7 | 0 | 0 | 0 | 110.2 | L151 L152 E159 L160 | L151-H155 PolarHBondContact O-N 3.17Å; L152-H155 CarbonylContact C-O 3.57Å; L152-H155 WeakPolarHBondContact CA-O 3.17Å; L152-H155 VanDerWaalsContact O-O 3.11Å; H155-E159 HydrophobicContact CB-CB 4.36Å; H155-E159 IonicContact CG-OE2 3.44Å; H155-E159 IonicContact ND1-OE2 2.75Å; H155-E159 PolarHBondContact ND1-OE2 3.41Å; H155-L160 HydrophobicContact CB-CD2 3.91Å; H155-L160 HydrophobicContact CB-CG 4.13Å |
| 156 | S | 87.5 | Confident | 89.9 | Confident | 54 Ų | 54 | 86.7 Ų | 86.7 | 38% | 0.378 | 42% | 0.422 | S | S | . | . | trans | -69.7 | 154.3 | 170.2 | 60.2 | 0 | 0 | 0 | 0 | 111.1 | D158 E159 L160 | S156-D158 PolarHBondContact O-N 3.39Å; S156-E159 WeakPolarHBondContact O-CB 3.03Å; S156-E159 PolarHBondContact O-N 2.84Å; S156-E159 VanDerWaalsContact O-N 3.1Å; S156-E159 VanDerWaalsContact OG-CD 3.26Å; S156-E159 VanDerWaalsContact OG-CG 3.22Å; S156-E159 WeakPolarHBondContact OG-CG 3.38Å; S156-E159 PolarHBondContact OG-N 2.83Å; S156-E159 PolarHBondContact OG-OE1 3.21Å; S156-L160 PolarHBondContact O-N 2.8Å; S156-L160 VanDerWaalsContact O-N 3.13Å | ||
| 157 | E | 87.9 | Confident | 90 | Very high | 109 Ų | 109 | 80.6 Ų | 80.6 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.8 | -37.8 | 176.5 | -173.4 | 168.4 | -165.1 | 0 | 0 | 111.7 | L152 E159 L160 Q161 | L152-E157 HydrophobicContact CD2-CB 3.93Å; L152-E157 HydrophobicContact CD2-CG 4.42Å; E157-E159 VanDerWaalsContact C-N 3.34Å; E157-E159 PolarHBondContact O-N 3.27Å; E157-L160 PolarHBondContact O-N 3.36Å; E157-Q161 WeakPolarHBondContact O-CG 3.37Å; E157-Q161 PolarHBondContact O-N 3.31Å |
| 158 | D | 87.4 | Confident | 90.2 | Very high | 111 Ų | 111 | 75.1 Ų | 75.1 | 59% | 0.594 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.3 | -36.3 | 175.4 | -70.2 | -19 | 0 | 0 | 0 | 112.8 | S156 K162 | S156-D158 PolarHBondContact O-N 3.39Å; D158-K162 WeakPolarHBondContact O-CG 2.78Å; D158-K162 PolarHBondContact O-N 3.5Å |
| 159 | E | 88.7 | Confident | 90.3 | Very high | 87 Ų | 87 | 76 Ų | 76 | 41% | 0.407 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 173.3 | -79.9 | 165.1 | -145.7 | 0 | 0 | 111.2 | H155 S156 E157 Q161 K162 L163 | H155-E159 HydrophobicContact CB-CB 4.36Å; H155-E159 IonicContact CG-OE2 3.44Å; H155-E159 IonicContact ND1-OE2 2.75Å; H155-E159 PolarHBondContact ND1-OE2 3.41Å; S156-E159 WeakPolarHBondContact O-CB 3.03Å; S156-E159 PolarHBondContact O-N 2.84Å; S156-E159 VanDerWaalsContact O-N 3.1Å; S156-E159 VanDerWaalsContact OG-CD 3.26Å; S156-E159 VanDerWaalsContact OG-CG 3.22Å; S156-E159 WeakPolarHBondContact OG-CG 3.38Å; S156-E159 PolarHBondContact OG-N 2.83Å; S156-E159 PolarHBondContact OG-OE1 3.21Å; E157-E159 VanDerWaalsContact C-N 3.34Å; E157-E159 PolarHBondContact O-N 3.27Å; E159-Q161 VanDerWaalsContact C-N 3.35Å; E159-Q161 PolarHBondContact O-N 3.2Å; E159-K162 PolarHBondContact O-N 2.83Å; E159-L163 VanDerWaalsContact O-CG 3.31Å; E159-L163 WeakPolarHBondContact O-CG 3.38Å; E159-L163 PolarHBondContact O-N 2.8Å |
| 160 | L | 88.5 | Confident | 90.3 | Very high | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 179 | -63.7 | 179.8 | 0 | 0 | 0 | 112 | Y148 L151 L152 H155 S156 E157 L163 G164 I165 | Y148-L160 HydrophobicContact CD2-CD1 4.45Å; Y148-L160 HydrophobicContact CE2-CB 4.45Å; Y148-L160 HydrophobicContact CE2-CD1 3.99Å; L151-L160 HydrophobicContact CB-CD1 4.06Å; L151-L160 HydrophobicContact CB-CD2 3.98Å; L151-L160 HydrophobicContact CD1-CD2 4.42Å; L152-L160 HydrophobicContact CD2-CD1 3.65Å; L152-L160 HydrophobicContact CG-CD1 3.91Å; H155-L160 HydrophobicContact CB-CD2 3.91Å; H155-L160 HydrophobicContact CB-CG 4.13Å; S156-L160 PolarHBondContact O-N 2.8Å; S156-L160 VanDerWaalsContact O-N 3.13Å; E157-L160 PolarHBondContact O-N 3.36Å; L160-L163 CarbonylContact O-C 3.53Å; L160-L163 PolarHBondContact O-N 3.11Å; L160-G164 PolarHBondContact O-N 3.49Å; L160-I165 HydrophobicContact CB-CB 4.45Å; L160-I165 HydrophobicContact CD2-CD1 3.92Å; L160-I165 PolarHBondContact O-N 2.85Å |
| 161 | Q | 86.9 | Confident | 90.3 | Very high | 120 Ų | 120 | 82.4 Ų | 82.4 | 56% | 0.561 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 174.2 | -72.3 | -175.2 | 9.6 | 0 | 0 | 112 | E157 E159 L163 G164 | E157-Q161 WeakPolarHBondContact O-CG 3.37Å; E157-Q161 PolarHBondContact O-N 3.31Å; E159-Q161 VanDerWaalsContact C-N 3.35Å; E159-Q161 PolarHBondContact O-N 3.2Å; Q161-L163 PolarHBondContact O-N 2.75Å; Q161-G164 PolarHBondContact O-N 3.46Å |
| 162 | K | 88.1 | Confident | 90.5 | Very high | 184 Ų | 184 | 80.5 Ų | 80.5 | 80% | 0.8 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.6 | -29.8 | 174.1 | -76.4 | 175.3 | -175.7 | 173.5 | 0 | 113 | D158 E159 | D158-K162 WeakPolarHBondContact O-CG 2.78Å; D158-K162 PolarHBondContact O-N 3.5Å; E159-K162 PolarHBondContact O-N 2.83Å |
| 163 | L | 90 | Very high | 90.6 | Very high | 110 Ų | 110 | 78.1 Ų | 78.1 | 58% | 0.576 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -3.7 | 173.1 | -66.7 | 171.8 | 0 | 0 | 0 | 113.1 | E159 L160 Q161 I165 | E159-L163 VanDerWaalsContact O-CG 3.31Å; E159-L163 WeakPolarHBondContact O-CG 3.38Å; E159-L163 PolarHBondContact O-N 2.8Å; L160-L163 CarbonylContact O-C 3.53Å; L160-L163 PolarHBondContact O-N 3.11Å; Q161-L163 PolarHBondContact O-N 2.75Å; L163-I165 VanDerWaalsContact C-N 3.26Å; L163-I165 HydrophobicContact CB-CD1 3.94Å; L163-I165 HydrophobicContact CB-CG1 3.97Å; L163-I165 HydrophobicContact CD1-CD1 4.1Å; L163-I165 PolarHBondContact O-N 3.14Å |
| 164 | G | 89.9 | Confident | 90.8 | Very high | 16 Ų | 16 | 70.1 Ų | 70.1 | 17% | 0.165 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 17.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | R140 L141 L160 Q161 C166 | R140-G164 CarbonylContact C-O 3.56Å; R140-G164 WeakPolarHBondContact CA-O 3.47Å; L141-G164 PolarHBondContact N-O 2.88Å; L160-G164 PolarHBondContact O-N 3.49Å; Q161-G164 PolarHBondContact O-N 3.46Å; G164-C166 PolarHBondContact O-N 3.1Å |
| 165 | I | 92.4 | Very high | 91.1 | Very high | 25 Ų | 25 | 62.3 Ų | 62.3 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 120.3 | -177.8 | -61 | 173.2 | 0 | 0 | 0 | 109 | V143 Y148 L151 L160 L163 | V143-I165 HydrophobicContact CG1-CG2 4.17Å; V143-I165 HydrophobicContact CG2-CG2 3.5Å; Y148-I165 HydrophobicContact CD2-CG2 4.03Å; Y148-I165 HydrophobicContact CE2-CG2 4.22Å; L151-I165 HydrophobicContact CD1-CD1 4.34Å; L151-I165 HydrophobicContact CD1-CG2 4.37Å; L160-I165 HydrophobicContact CB-CB 4.45Å; L160-I165 HydrophobicContact CD2-CD1 3.92Å; L160-I165 PolarHBondContact O-N 2.85Å; L163-I165 VanDerWaalsContact C-N 3.26Å; L163-I165 HydrophobicContact CB-CD1 3.94Å; L163-I165 HydrophobicContact CB-CG1 3.97Å; L163-I165 HydrophobicContact CD1-CD1 4.1Å; L163-I165 PolarHBondContact O-N 3.14Å |
| 166 | C | 91.8 | Very high | 91.4 | Very high | 29 Ų | 29 | 58.8 Ų | 58.8 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 136.8 | 179.8 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | L104 R140 L141 L142 V143 G164 | L104-C166 HydrophobicContact CD2-CB 3.87Å; R140-C166 VanDerWaalsContact CD-SG 3.58Å; L141-C166 PolarHBondContact O-N 3.04Å; L142-C166 WeakPolarHBondContact CA-O 2.85Å; L142-C166 HydrophobicContact CD2-CB 3.82Å; V143-C166 PolarHBondContact N-O 2.9Å; G164-C166 PolarHBondContact O-N 3.1Å |
| 167 | K | 93.7 | Very high | 91.7 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 36% | 0.361 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 127.9 | 177.8 | -179.1 | 177.1 | 172.3 | 170.2 | 0 | 111 | S145 Y148 | S145-K167 WeakPolarHBondContact OG-CE 3.32Å; S145-K167 PolarHBondContact OG-NZ 3.22Å; Y148-K167 HydrophobicContact CD1-CB 3.9Å; Y148-K167 HydrophobicContact CD1-CD 3.8Å; Y148-K167 HydrophobicContact CD1-CG 4.12Å; Y148-K167 HydrophobicContact CD2-CB 3.83Å; Y148-K167 HydrophobicContact CE1-CB 4.19Å; Y148-K167 HydrophobicContact CE1-CD 4.34Å; Y148-K167 HydrophobicContact CE2-CB 4.16Å; Y148-K167 HydrophobicContact CG-CB 3.69Å; Y148-K167 HydrophobicContact CG-CD 4.22Å; Y148-K167 HydrophobicContact CG-CG 4.03Å |
| 168 | V | 94 | Very high | 91.8 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -77.4 | 128.6 | 161.8 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | A103 R132 L142 V143 F172 | A103-V168 HydrophobicContact CB-CG1 4.04Å; A103-V168 HydrophobicContact CB-CG2 4.22Å; R132-V168 HydrophobicContact CB-CB 4.24Å; R132-V168 HydrophobicContact CB-CG1 4.08Å; R132-V168 HydrophobicContact CB-CG2 4.38Å; R132-V168 WeakPolarHBondContact O-CG2 3.12Å; L142-V168 HydrophobicContact CB-CG2 3.81Å; L142-V168 HydrophobicContact CD1-CG2 4.45Å; V143-V168 PolarHBondContact O-N 3.17Å; V168-F172 HydrophobicContact CG1-CB 4.05Å; V168-F172 HydrophobicContact CG1-CD1 4.02Å; V168-F172 HydrophobicContact CG1-CG 4.24Å |
| 169 | D | 94 | Very high | 91.9 | Very high | 38 Ų | 38 | 46 Ų | 46 | 20% | 0.203 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 138.6 | 179.5 | -174 | -53.1 | 0 | 0 | 0 | 110.5 | A103 G106 R171 F172 | A103-D169 PolarHBondContact O-N 3.16Å; G106-D169 VanDerWaalsContact CA-CB 3.42Å; G106-D169 VanDerWaalsContact CA-CG 3.48Å; D169-R171 PolarHBondContact O-N 2.91Å; D169-R171 VanDerWaalsContact O-N 3.16Å; D169-R171 VanDerWaalsContact OD1-CB 3.25Å; D169-R171 WeakPolarHBondContact OD1-CB 3.45Å; D169-R171 WeakPolarHBondContact OD1-CG 3.19Å; D169-R171 IonicContact OD1-CZ 2.62Å; D169-R171 PolarHBondContact OD1-N 3Å; D169-R171 IonicContact OD1-NE 2.67Å; D169-R171 PolarHBondContact OD1-NE 2.82Å; D169-R171 VanDerWaalsContact OD1-NE 3.13Å; D169-R171 IonicContact OD1-NH2 3.14Å; D169-R171 IonicContact OD2-CZ 3.52Å; D169-R171 IonicContact OD2-NE 3.42Å; D169-R171 PolarHBondContact OD2-NE 2.69Å; D169-R171 IonicContact OD2-NH2 2.87Å; D169-R171 PolarHBondContact OD2-NH2 2.72Å; D169-F172 VanDerWaalsContact O-CB 3.28Å; D169-F172 WeakPolarHBondContact O-CB 3.42Å; D169-F172 PolarHBondContact O-N 3Å; D169-F172 VanDerWaalsContact O-N 3.09Å |
| 170 | D | 91.7 | Very high | 91.7 | Very high | 93 Ų | 93 | 43.5 Ų | 43.5 | 50% | 0.497 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.6 | -177.9 | -80.9 | -45.8 | 0 | 0 | 0 | 113.8 | S145 F172 R173 | S145-D170 WeakPolarHBondContact CB-OD1 3.45Å; S145-D170 VanDerWaalsContact CB-OD2 3.22Å; S145-D170 WeakPolarHBondContact CB-OD2 3.42Å; S145-D170 PolarHBondContact OG-OD1 3.32Å; S145-D170 PolarHBondContact OG-OD2 2.66Å; D170-F172 VanDerWaalsContact C-N 3.33Å; D170-R173 VanDerWaalsContact O-CZ 3.26Å; D170-R173 PolarHBondContact O-NH1 3.05Å; D170-R173 PolarHBondContact O-NH2 2.89Å |
| 171 | R | 91.7 | Very high | 91.3 | Very high | 143 Ų | 143 | 46.4 Ų | 46.4 | 54% | 0.54 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -9.9 | 177 | -62 | 174.5 | -69.1 | 165.7 | 2.4 | 113.3 | G106 D169 R173 | G106-R171 WeakPolarHBondContact O-CB 3.35Å; D169-R171 PolarHBondContact O-N 2.91Å; D169-R171 VanDerWaalsContact O-N 3.16Å; D169-R171 VanDerWaalsContact OD1-CB 3.25Å; D169-R171 WeakPolarHBondContact OD1-CB 3.45Å; D169-R171 WeakPolarHBondContact OD1-CG 3.19Å; D169-R171 IonicContact OD1-CZ 2.62Å; D169-R171 PolarHBondContact OD1-N 3Å; D169-R171 IonicContact OD1-NE 2.67Å; D169-R171 PolarHBondContact OD1-NE 2.82Å; D169-R171 VanDerWaalsContact OD1-NE 3.13Å; D169-R171 IonicContact OD1-NH2 3.14Å; D169-R171 IonicContact OD2-CZ 3.52Å; D169-R171 IonicContact OD2-NE 3.42Å; D169-R171 PolarHBondContact OD2-NE 2.69Å; D169-R171 IonicContact OD2-NH2 2.87Å; D169-R171 PolarHBondContact OD2-NH2 2.72Å; R171-R173 PolarHBondContact O-N 3.14Å |
| 172 | F | 95 | Very high | 90.6 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | trans | -60.2 | 122.5 | 178.6 | 172.9 | -112.4 | 0 | 0 | 0 | 111.8 | A102 A103 R107 L109 L128 V168 D169 D170 V174 | A102-F172 VanDerWaalsContact C-CD2 3.4Å; A102-F172 HydrophobicContact CB-CD2 3.94Å; A102-F172 HydrophobicContact CB-CE2 3.62Å; A102-F172 WeakPolarHBondContact O-CD2 3.47Å; A103-F172 VanDerWaalsContact CA-CD2 3.49Å; A103-F172 HydrophobicContact CB-CD2 4.24Å; A103-F172 HydrophobicContact CB-CE2 4.22Å; A103-F172 HydrophobicContact CB-CG 4.38Å; A103-F172 HydrophobicContact CB-CZ 4.36Å; R107-F172 WeakPolarHBondContact O-CD2 3.35Å; L109-F172 HydrophobicContact CB-CE2 3.86Å; L109-F172 HydrophobicContact CB-CZ 4.35Å; L109-F172 HydrophobicContact CD2-CE2 4.41Å; L109-F172 HydrophobicContact CD2-CZ 4.26Å; L128-F172 HydrophobicContact CD1-CE1 4.29Å; L128-F172 HydrophobicContact CD2-CZ 4.2Å; L128-F172 HydrophobicContact CG-CE1 4.17Å; L128-F172 HydrophobicContact CG-CZ 4.3Å; V168-F172 HydrophobicContact CG1-CB 4.05Å; V168-F172 HydrophobicContact CG1-CD1 4.02Å; V168-F172 HydrophobicContact CG1-CG 4.24Å; D169-F172 VanDerWaalsContact O-CB 3.28Å; D169-F172 WeakPolarHBondContact O-CB 3.42Å; D169-F172 PolarHBondContact O-N 3Å; D169-F172 VanDerWaalsContact O-N 3.09Å; D170-F172 VanDerWaalsContact C-N 3.33Å; F172-V174 HydrophobicContact CE1-CG2 3.85Å; F172-V174 HydrophobicContact CE2-CG2 4.2Å; F172-V174 HydrophobicContact CZ-CG2 3.51Å | ||
| 173 | R | 94.3 | Very high | 90 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 150.3 | 178.7 | -62.9 | -65.2 | 170 | -94.4 | -8.8 | 110.2 | D36 N39 F108 L109 D170 R171 | D36-R173 IonicContact OD1-NE 2.79Å; N39-R173 PolarHBondContact OD1-NH2 3.08Å; F108-R173 CarbonylContact C-O 3.59Å; F108-R173 WeakPolarHBondContact CA-O 3.43Å; F108-R173 HydrophobicContact CD1-CB 3.68Å; F108-R173 HydrophobicContact CD2-CB 4.48Å; F108-R173 HydrophobicContact CE1-CB 3.48Å; F108-R173 VanDerWaalsContact CE1-CB 3.48Å; F108-R173 HydrophobicContact CE1-CG 3.93Å; F108-R173 HydrophobicContact CE2-CB 4.3Å; F108-R173 HydrophobicContact CE2-CG 4.25Å; F108-R173 HydrophobicContact CG-CB 4.19Å; F108-R173 HydrophobicContact CZ-CB 3.81Å; F108-R173 HydrophobicContact CZ-CG 3.76Å; L109-R173 PolarHBondContact N-O 3.3Å; D170-R173 VanDerWaalsContact O-CZ 3.26Å; D170-R173 PolarHBondContact O-NH1 3.05Å; D170-R173 PolarHBondContact O-NH2 2.89Å; R171-R173 PolarHBondContact O-N 3.14Å |
| 174 | V | 95.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131.8 | 175.1 | -171.5 | 0 | 0 | 0 | 0 | 110.9 | D41 A42 L109 L111 L129 F172 F197 | D41-V174 WeakPolarHBondContact CA-O 3.45Å; D41-V174 HydrophobicContact CB-CB 4.23Å; D41-V174 WeakPolarHBondContact CB-O 3.39Å; D41-V174 PolarHBondContact OD1-N 2.89Å; A42-V174 PolarHBondContact N-O 2.67Å; L109-V174 HydrophobicContact CB-CG1 4.45Å; L109-V174 HydrophobicContact CB-CG2 4.19Å; L109-V174 HydrophobicContact CD2-CG1 4.46Å; L109-V174 HydrophobicContact CD2-CG2 4.31Å; L109-V174 WeakPolarHBondContact O-CA 3.32Å; L111-V174 HydrophobicContact CD1-CG1 3.78Å; L111-V174 HydrophobicContact CG-CG1 3.98Å; L129-V174 HydrophobicContact CD2-CB 3.76Å; L129-V174 HydrophobicContact CD2-CG1 3.81Å; L129-V174 HydrophobicContact CD2-CG2 3.44Å; L129-V174 VanDerWaalsContact CD2-CG2 3.44Å; F172-V174 HydrophobicContact CE1-CG2 3.85Å; F172-V174 HydrophobicContact CE2-CG2 4.2Å; F172-V174 HydrophobicContact CZ-CG2 3.51Å; V174-F197 HydrophobicContact CB-CE1 4.31Å; V174-F197 HydrophobicContact CG1-CE1 3.95Å; V174-F197 HydrophobicContact CG1-CZ 4.27Å |
| 175 | V | 95.7 | Very high | 88.9 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 109.8 | 171.3 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | A42 V56 F108 L109 I110 L111 L177 | A42-V175 HydrophobicContact CB-CG1 4.48Å; A42-V175 HydrophobicContact CB-CG2 4.43Å; A42-V175 CarbonylContact O-C 3.49Å; A42-V175 WeakPolarHBondContact O-CA 3.38Å; V56-V175 HydrophobicContact CG1-CB 4.41Å; V56-V175 HydrophobicContact CG1-CG1 4.19Å; V56-V175 HydrophobicContact CG2-CG1 3.66Å; F108-V175 HydrophobicContact CD1-CG2 3.92Å; F108-V175 HydrophobicContact CE1-CG2 4.22Å; L109-V175 PolarHBondContact O-N 3.11Å; I110-V175 VanDerWaalsContact CA-O 3.3Å; I110-V175 WeakPolarHBondContact CA-O 3.47Å; L111-V175 PolarHBondContact N-O 2.75Å; V175-L177 HydrophobicContact CG1-CD2 4.4Å |
| 176 | A | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 146.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A42 Y43 L44 L111 V114 F197 | A42-A176 PolarHBondContact O-N 3.28Å; Y43-A176 WeakPolarHBondContact CA-O 3.44Å; Y43-A176 HydrophobicContact CD2-CB 3.29Å; Y43-A176 WeakPolarHBondContact CD2-O 3.45Å; Y43-A176 HydrophobicContact CE2-CB 3.76Å; Y43-A176 HydrophobicContact CG-CB 4.15Å; L44-A176 PolarHBondContact N-O 3.42Å; L111-A176 HydrophobicContact CB-CB 4.3Å; L111-A176 CarbonylContact O-C 3.37Å; L111-A176 WeakPolarHBondContact O-CA 3.45Å; V114-A176 HydrophobicContact CG2-CB 3.9Å; A176-F197 HydrophobicContact CB-CD1 4.35Å; A176-F197 HydrophobicContact CB-CE1 3.92Å; A176-F197 HydrophobicContact CB-CE2 4.37Å; A176-F197 HydrophobicContact CB-CZ 3.92Å |
| 177 | L | 93.7 | Very high | 87.8 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.4 | 171.9 | -50.5 | 179.7 | 0 | 0 | 0 | 107.6 | L44 R52 R53 V56 I110 L111 D112 G113 V175 | L44-L177 HydrophobicContact CB-CD2 3.91Å; L44-L177 HydrophobicContact CD1-CD2 4.09Å; L44-L177 HydrophobicContact CG-CD2 4.33Å; R52-L177 HydrophobicContact CB-CD2 4.24Å; R53-L177 HydrophobicContact CB-CD1 4Å; R53-L177 HydrophobicContact CG-CD1 4.3Å; V56-L177 HydrophobicContact CG2-CD2 3.86Å; I110-L177 HydrophobicContact CG2-CD1 3.97Å; I110-L177 HydrophobicContact CG2-CG 4.19Å; L111-L177 PolarHBondContact O-N 2.95Å; D112-L177 HydrophobicContact CB-CB 4.49Å; D112-L177 HydrophobicContact CB-CD1 4.29Å; G113-L177 PolarHBondContact N-O 3.11Å; V175-L177 HydrophobicContact CG1-CD2 4.4Å |
| 178 | G | 90.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 168.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L44 L45 R52 E115 | L44-G178 PolarHBondContact O-N 3.38Å; L45-G178 WeakPolarHBondContact CA-O 3.26Å; R52-G178 PolarHBondContact NH1-O 3.24Å; E115-G178 WeakPolarHBondContact OE2-CA 3.21Å |
| 179 | L | 88.8 | Confident | 86.4 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | trans | -93.9 | 144.1 | -177.3 | -62.5 | 174.4 | 0 | 0 | 0 | 110.9 | G46 P48 R52 E115 V181 Y184 E534 | G46-L179 WeakPolarHBondContact O-CD2 3.19Å; P48-L179 HydrophobicContact CB-CD2 4.41Å; P48-L179 HydrophobicContact CG-CD1 4.39Å; P48-L179 HydrophobicContact CG-CD2 3.86Å; R52-L179 VanDerWaalsContact NH2-CD2 3.33Å; E115-L179 HydrophobicContact CG-CB 4.19Å; E115-L179 PolarHBondContact OE2-N 3.47Å; E115-L179 VanDerWaalsContact OE2-N 3.11Å; L179-V181 PolarHBondContact O-N 2.73Å; L179-Y184 HydrophobicContact CB-CD2 3.97Å; L179-Y184 HydrophobicContact CB-CG 4.31Å; L179-Y184 HydrophobicContact CD1-CG 4.45Å; L179-Y184 HydrophobicContact CD2-CD2 4.28Å; L179-E534 HydrophobicContact CD1-CG 4.27Å; L179-E534 WeakPolarHBondContact CD1-OE1 3.39Å | ||
| 180 | P | 86.4 | Confident | 85.6 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | trans | -70.9 | 100.9 | 174.1 | 27.8 | -34.1 | 0 | 0 | 0 | 111.4 | G46 R183 Y184 | G46-P180 WeakPolarHBondContact O-CD 3.31Å; P180-R183 WeakPolarHBondContact O-CB 3.48Å; P180-R183 PolarHBondContact O-N 2.95Å; P180-R183 VanDerWaalsContact O-N 3.08Å; P180-Y184 HydrophobicContact CG-CD2 3.67Å; P180-Y184 HydrophobicContact CG-CE2 3.52Å; P180-Y184 PolarHBondContact O-N 3.2Å | ||
| 181 | V | 79.6 | Confident | 85.1 | Confident | 61 Ų | 61 | 48.4 Ų | 48.4 | 37% | 0.37 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 129.1 | 170.2 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | E115 L179 G186 | E115-V181 HydrophobicContact CB-CG2 4.05Å; L179-V181 PolarHBondContact O-N 2.73Å; V181-G186 WeakPolarHBondContact CG1-O 3.26Å |
| 182 | S | 70.7 | Confident | 84.5 | Confident | 117 Ų | 117 | 44.7 Ų | 44.7 | 82% | 0.818 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -98.4 | 4.9 | 20.9 | 61.8 | 0 | 0 | 0 | 0 | 117.1 | Y184 | S182-Y184 VanDerWaalsContact C-N 3.31Å; S182-Y184 PolarHBondContact O-N 2.89Å |
| 183 | R | 76.3 | Confident | 83.8 | Confident | 102 Ų | 102 | 45.1 Ų | 45.1 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -40.1 | -178.8 | 179.8 | 176.4 | 176.5 | 154.7 | 1.8 | 111.3 | P180 S242 D248 | P180-R183 WeakPolarHBondContact O-CB 3.48Å; P180-R183 PolarHBondContact O-N 2.95Å; P180-R183 VanDerWaalsContact O-N 3.08Å; R183-S242 PolarHBondContact NH2-OG 3.23Å; R183-D248 IonicContact CZ-OD1 3.72Å; R183-D248 IonicContact CZ-OD2 2.89Å; R183-D248 IonicContact NE-OD2 2.98Å; R183-D248 PolarHBondContact NE-OD2 2.86Å; R183-D248 IonicContact NH2-OD1 3.75Å; R183-D248 PolarHBondContact NH2-OD1 3.46Å; R183-D248 IonicContact NH2-OD2 2.82Å; R183-D248 PolarHBondContact NH2-OD2 3.3Å; R183-D248 VanDerWaalsContact NH2-OD2 3.16Å |
| 184 | Y | 81.7 | Confident | 83.4 | Confident | 19 Ų | 19 | 53 Ų | 53 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -110.4 | 162.4 | 174 | -52.9 | -73.6 | 0 | 0 | 0 | 111.1 | Q47 P48 L179 P180 S182 D248 | Q47-Y184 WeakPolarHBondContact CG-OH 3.42Å; P48-Y184 VanDerWaalsContact CD-CE1 3.45Å; P48-Y184 VanDerWaalsContact CD-CZ 3.47Å; P48-Y184 HydrophobicContact CG-CD1 3.91Å; P48-Y184 HydrophobicContact CG-CE1 3.86Å; P48-Y184 HydrophobicContact CG-CG 4.46Å; L179-Y184 HydrophobicContact CB-CD2 3.97Å; L179-Y184 HydrophobicContact CB-CG 4.31Å; L179-Y184 HydrophobicContact CD1-CG 4.45Å; L179-Y184 HydrophobicContact CD2-CD2 4.28Å; P180-Y184 HydrophobicContact CG-CD2 3.67Å; P180-Y184 HydrophobicContact CG-CE2 3.52Å; P180-Y184 PolarHBondContact O-N 3.2Å; S182-Y184 VanDerWaalsContact C-N 3.31Å; S182-Y184 PolarHBondContact O-N 2.89Å; Y184-D248 WeakPolarHBondContact CE1-OD2 3.19Å; Y184-D248 PolarHBondContact OH-OD2 3.36Å |
| 185 | R | 75.3 | Confident | 83 | Confident | 110 Ų | 110 | 56.7 Ų | 56.7 | 42% | 0.415 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -67.4 | 138.8 | 176.4 | -67.6 | -173.3 | 179.2 | -173.9 | 1.1 | 110.1 | Y457 F527 | R185-Y457 HydrophobicContact CB-CE2 4.49Å; R185-F527 PolarHBondContact NH2-O 3.23Å |
| 186 | G | 79.6 | Confident | 82.6 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 25% | 0.247 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 152.7 | 171.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V181 | V181-G186 WeakPolarHBondContact CG1-O 3.26Š|
| 187 | H | 81 | Confident | 82.4 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 40% | 0.398 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 137.1 | 175.9 | -57.5 | 103.1 | 0 | 0 | 0 | 110.6 | E115 A117 L189 | E115-H187 PolarHBondContact O-N 3.08Å; E115-H187 PolarHBondContact O-ND1 3.31Å; A117-H187 PolarHBondContact O-ND1 3.31Å; H187-L189 PolarHBondContact O-N 2.79Å |
| 188 | S | 80.5 | Confident | 82.4 | Confident | 89 Ų | 89 | 64.4 Ų | 64.4 | 62% | 0.622 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 135.3 | 168.6 | 55.8 | 0 | 0 | 0 | 0 | 109.9 | D190 | S188-D190 PolarHBondContact O-N 3.19Š|
| 189 | L | 78.7 | Confident | 82.5 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 136.2 | 174.4 | -59.2 | -176.9 | 0 | 0 | 0 | 110.8 | Y43 V114 L122 H187 L193 R194 | Y43-L189 HydrophobicContact CD1-CD1 4.18Å; Y43-L189 HydrophobicContact CE1-CD1 3.35Å; V114-L189 HydrophobicContact CB-CD2 4.12Å; V114-L189 HydrophobicContact CG1-CD2 3.41Å; V114-L189 VanDerWaalsContact CG1-CD2 3.41Å; L122-L189 HydrophobicContact CD1-CD2 4.09Å; H187-L189 PolarHBondContact O-N 2.79Å; L189-L193 HydrophobicContact CD2-CD2 4.06Å; L189-R194 HydrophobicContact CB-CB 4.4Å |
| 190 | D | 77.7 | Confident | 82.7 | Confident | 62 Ų | 62 | 70 Ų | 70 | 33% | 0.332 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 144.9 | 174.8 | -67.7 | -34.5 | 0 | 0 | 0 | 110.7 | S188 P192 L193 R194 | S188-D190 PolarHBondContact O-N 3.19Å; D190-P192 VanDerWaalsContact C-N 3.33Å; D190-L193 PolarHBondContact O-N 3.41Å; D190-L193 VanDerWaalsContact O-N 3.15Å; D190-R194 PolarHBondContact O-N 3.45Å |
| 191 | P | 79.8 | Confident | 83 | Confident | 105 Ų | 105 | 73.7 Ų | 73.7 | 68% | 0.682 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -50.9 | -41.2 | -178.2 | -25.6 | 32.2 | 0 | 0 | 0 | 115.2 | R194 S195 | P191-R194 PolarHBondContact O-N 3.31Å; P191-S195 PolarHBondContact O-N 2.99Å |
| 192 | P | 78.7 | Confident | 83.5 | Confident | 65 Ų | 65 | 71.3 Ų | 71.3 | 42% | 0.422 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 178.2 | -24.4 | 35.6 | 0 | 0 | 0 | 112.6 | D190 S195 | D190-P192 VanDerWaalsContact C-N 3.33Å; P192-S195 PolarHBondContact O-N 3.06Å; P192-S195 PolarHBondContact O-OG 3.06Å |
| 193 | L | 80.9 | Confident | 84.2 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 179.5 | -173.8 | 76.7 | 0 | 0 | 0 | 111 | V114 L122 L129 L189 D190 S195 R196 F197 | V114-L193 HydrophobicContact CG1-CD2 3.95Å; L122-L193 HydrophobicContact CB-CD2 4.01Å; L122-L193 HydrophobicContact CD1-CD2 3.7Å; L122-L193 HydrophobicContact CD2-CD2 4.07Å; L122-L193 HydrophobicContact CG-CD2 4.13Å; L129-L193 HydrophobicContact CD1-CD1 3.51Å; L189-L193 HydrophobicContact CD2-CD2 4.06Å; D190-L193 PolarHBondContact O-N 3.41Å; D190-L193 VanDerWaalsContact O-N 3.15Å; L193-S195 PolarHBondContact O-N 3.08Å; L193-R196 WeakPolarHBondContact O-CB 3.27Å; L193-R196 PolarHBondContact O-N 3.23Å; L193-F197 HydrophobicContact CD1-CE2 4.02Å; L193-F197 HydrophobicContact CG-CE2 4.03Å |
| 194 | R | 85.2 | Confident | 84.8 | Confident | 184 Ų | 184 | 64.6 Ų | 64.6 | 69% | 0.694 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -56.2 | -37.1 | 177.7 | -176.5 | 179.3 | 174.2 | 179.1 | -0.6 | 112.1 | L189 D190 P191 R196 F197 | L189-R194 HydrophobicContact CB-CB 4.4Å; D190-R194 PolarHBondContact O-N 3.45Å; P191-R194 PolarHBondContact O-N 3.31Å; R194-R196 PolarHBondContact O-N 2.74Å; R194-F197 PolarHBondContact O-N 2.76Å |
| 195 | S | 86.9 | Confident | 84.9 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 56% | 0.559 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -68.7 | -17.6 | 179.8 | 77 | 0 | 0 | 0 | 0 | 114.5 | P191 P192 L193 | P191-S195 PolarHBondContact O-N 2.99Å; P192-S195 PolarHBondContact O-N 3.06Å; P192-S195 PolarHBondContact O-OG 3.06Å; L193-S195 PolarHBondContact O-N 3.08Å |
| 196 | R | 87.9 | Confident | 85.5 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 25% | 0.249 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -78.3 | -24.9 | -179.6 | -55.1 | -54.6 | 175 | -169.8 | -4.6 | 113.7 | N126 L129 E130 L193 R194 | N126-R196 PolarHBondContact OD1-NE 3.48Å; L129-R196 HydrophobicContact CB-CB 4.33Å; L129-R196 HydrophobicContact CB-CG 4.28Å; E130-R196 VanDerWaalsContact CB-CZ 3.45Å; E130-R196 VanDerWaalsContact CG-CZ 3.46Å; E130-R196 IonicContact OE1-CZ 2.66Å; E130-R196 IonicContact OE1-NH1 3.34Å; E130-R196 PolarHBondContact OE1-NH1 3.33Å; E130-R196 IonicContact OE1-NH2 3.85Å; E130-R196 PolarHBondContact OE1-NH2 3.3Å; E130-R196 IonicContact OE2-CZ 3.7Å; E130-R196 IonicContact OE2-NH1 2.67Å; E130-R196 IonicContact OE2-NH2 2.85Å; E130-R196 PolarHBondContact OE2-NH2 3.43Å; L193-R196 WeakPolarHBondContact O-CB 3.27Å; L193-R196 PolarHBondContact O-N 3.23Å; R194-R196 PolarHBondContact O-N 2.74Å |
| 197 | F | 91.1 | Very high | 86 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 5% | 0.053 | 35% | 0.353 | C | S | . | . | trans | -105.7 | 145.3 | -174.4 | -64.5 | -73.2 | 0 | 0 | 0 | 112.2 | D41 A42 Y43 L129 V174 A176 L193 R194 | D41-F197 HydrophobicContact CB-CD1 3.92Å; D41-F197 HydrophobicContact CB-CE1 4.07Å; A42-F197 WeakPolarHBondContact O-CD1 3.45Å; Y43-F197 HydrophobicContact CG-CB 4.46Å; L129-F197 HydrophobicContact CD1-CE2 3.97Å; L129-F197 HydrophobicContact CD1-CZ 3.67Å; L129-F197 HydrophobicContact CD2-CZ 4.2Å; V174-F197 HydrophobicContact CB-CE1 4.31Å; V174-F197 HydrophobicContact CG1-CE1 3.95Å; V174-F197 HydrophobicContact CG1-CZ 4.27Å; A176-F197 HydrophobicContact CB-CD1 4.35Å; A176-F197 HydrophobicContact CB-CE1 3.92Å; A176-F197 HydrophobicContact CB-CE2 4.37Å; A176-F197 HydrophobicContact CB-CZ 3.92Å; L193-F197 HydrophobicContact CD1-CE2 4.02Å; L193-F197 HydrophobicContact CG-CE2 4.03Å; R194-F197 PolarHBondContact O-N 2.76Å | ||
| 198 | Q | 92.4 | Very high | 86.3 | Confident | 91 Ų | 91 | 68.1 Ų | 68.1 | 43% | 0.425 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 117.1 | 160.9 | -67 | -63.8 | -49.1 | 0 | 0 | 108.5 | W31 K35 D41 Y43 | W31-Q198 VanDerWaalsContact CH2-O 3.23Å; W31-Q198 WeakPolarHBondContact CH2-O 3.42Å; W31-Q198 HydrophobicContact CZ2-CB 4.21Å; K35-Q198 HydrophobicContact CD-CB 4.11Å; K35-Q198 HydrophobicContact CD-CG 4.42Å; D41-Q198 PolarHBondContact O-N 3.49Å; Y43-Q198 PolarHBondContact N-O 2.94Å |
| 199 | A | 92.7 | Very high | 86.6 | Confident | 60 Ų | 60 | 65.2 Ų | 65.2 | 50% | 0.496 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 146.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y43 L45 | Y43-A199 HydrophobicContact CD1-CB 4.31Å; Y43-A199 CarbonylContact O-C 3.08Å; Y43-A199 WeakPolarHBondContact O-CA 3.42Å; L45-A199 HydrophobicContact CD1-CB 4.34Å |
| 200 | R | 93.6 | Very high | 86.9 | Confident | 61 Ų | 61 | 63.8 Ų | 63.8 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 133.4 | 169.4 | 179.8 | 167.6 | 179.3 | 131.8 | -2.4 | 110.3 | L27 D28 W31 Y43 L44 L45 | L27-R200 PolarHBondContact O-NH1 3.03Å; L27-R200 PolarHBondContact O-NH2 2.88Å; D28-R200 IonicContact OD1-CZ 3.73Å; D28-R200 IonicContact OD1-NE 2.82Å; D28-R200 PolarHBondContact OD1-NE 3.3Å; D28-R200 IonicContact OD1-NH2 2.97Å; D28-R200 PolarHBondContact OD1-NH2 2.81Å; W31-R200 HydrophobicContact CD2-CB 4.09Å; W31-R200 HydrophobicContact CD2-CG 4.37Å; W31-R200 HydrophobicContact CE3-CB 4.05Å; W31-R200 HydrophobicContact CE3-CG 4.47Å; W31-R200 VanDerWaalsContact CG-NH1 3.26Å; W31-R200 HydrophobicContact CH2-CB 3.69Å; W31-R200 HydrophobicContact CZ2-CB 3.7Å; W31-R200 HydrophobicContact CZ3-CB 3.86Å; Y43-R200 PolarHBondContact O-N 3.33Å; L44-R200 WeakPolarHBondContact CA-O 3.32Å; L44-R200 HydrophobicContact CD2-CB 4.17Å; L45-R200 PolarHBondContact N-O 3.39Å |
| 201 | L | 92.6 | Very high | 87.5 | Confident | 114 Ų | 114 | 62.1 Ų | 62.1 | 60% | 0.597 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 119.2 | 172.2 | -175.6 | 67.9 | 0 | 0 | 0 | 109.3 | L45 A203 | L45-L201 HydrophobicContact CB-CD1 4.09Å; L45-L201 CarbonylContact O-C 3.38Å; L45-L201 WeakPolarHBondContact O-CA 3.24Å; L201-A203 PolarHBondContact O-N 3.33Å |
| 202 | V | 90.2 | Very high | 87.9 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | trans | -76.9 | 106.4 | 173.1 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | L44 L45 R51 R52 L55 | L44-V202 HydrophobicContact CB-CG2 4.04Å; L44-V202 HydrophobicContact CD1-CG2 4.27Å; L44-V202 HydrophobicContact CD2-CG2 4.21Å; L44-V202 HydrophobicContact CG-CG2 4.41Å; L45-V202 PolarHBondContact O-N 3.24Å; R51-V202 HydrophobicContact CG-CG1 4.18Å; R52-V202 HydrophobicContact CG-CB 4.09Å; R52-V202 HydrophobicContact CG-CG1 4.43Å; R52-V202 HydrophobicContact CG-CG2 3.99Å; L55-V202 HydrophobicContact CD1-CB 4.33Å; L55-V202 HydrophobicContact CD1-CG1 3.4Å; L55-V202 VanDerWaalsContact CD1-CG1 3.4Å; L55-V202 HydrophobicContact CD1-CG2 3.94Å | ||
| 203 | A | 86.5 | Confident | 88.2 | Confident | 44 Ų | 44 | 58.6 Ų | 58.6 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 151.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R51 L201 | R51-A203 PolarHBondContact NE-O 3.25Å; R51-A203 VanDerWaalsContact NE-O 3.14Å; R51-A203 PolarHBondContact NH2-O 2.78Å; L201-A203 PolarHBondContact O-N 3.33Å |
| 204 | L | 87.3 | Confident | 88.5 | Confident | 34 Ų | 34 | 58.1 Ų | 58.1 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 161 | 167.4 | -65.6 | 176.3 | 0 | 0 | 0 | 110.8 | N24 L237 F251 | N24-L204 PolarHBondContact ND2-O 3.21Å; L204-L237 HydrophobicContact CD1-CD1 3.71Å; L204-F251 HydrophobicContact CD1-CD2 4.16Å; L204-F251 HydrophobicContact CD2-CB 4.01Å; L204-F251 HydrophobicContact CD2-CD1 3.86Å; L204-F251 HydrophobicContact CD2-CD2 4Å; L204-F251 HydrophobicContact CD2-CE1 4.36Å; L204-F251 HydrophobicContact CD2-CE2 4.47Å; L204-F251 HydrophobicContact CD2-CG 3.67Å |
| 205 | P | 85.4 | Confident | 88.6 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 159.1 | 168.4 | -20.3 | 33.7 | 0 | 0 | 0 | 110.4 | Y21 R51 L210 Y234 F251 | Y21-P205 HydrophobicContact CE2-CB 4.48Å; R51-P205 VanDerWaalsContact CZ-CD 3.45Å; R51-P205 VanDerWaalsContact NH1-CG 3.32Å; P205-L210 HydrophobicContact CB-CB 4.44Å; P205-Y234 PolarHBondContact O-OH 2.73Å; P205-F251 HydrophobicContact CB-CZ 4.47Å; P205-F251 VanDerWaalsContact CD-CZ 3.42Å; P205-F251 HydrophobicContact CG-CE1 3.79Å; P205-F251 HydrophobicContact CG-CZ 3.72Å |
| 206 | R | 87.3 | Confident | 88.6 | Confident | 142 Ų | 142 | 55.8 Ų | 55.8 | 54% | 0.536 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 144.9 | 170.8 | -61.4 | 179.1 | -179.4 | -171.1 | -2.3 | 108.9 | Q208 D209 L210 | R206-Q208 PolarHBondContact O-N 2.9Å; R206-D209 HydrophobicContact CB-CB 4.44Å; R206-D209 PolarHBondContact O-N 2.88Å; R206-L210 PolarHBondContact O-N 3.22Å |
| 207 | F | 88.8 | Confident | 88.4 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 29% | 0.285 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -47 | -48.9 | 175.9 | 175.6 | -88.9 | 0 | 0 | 0 | 112.3 | D209 L210 F211 L230 A231 Y234 | F207-D209 PolarHBondContact O-N 2.92Å; F207-L210 PolarHBondContact O-N 3.03Å; F207-F211 HydrophobicContact CE1-CB 4.33Å; F207-F211 WeakPolarHBondContact O-CB 3.4Å; F207-F211 PolarHBondContact O-N 3.29Å; F207-L230 HydrophobicContact CD2-CB 4.13Å; F207-L230 HydrophobicContact CE2-CB 3.54Å; F207-L230 HydrophobicContact CZ-CB 4.38Å; F207-A231 HydrophobicContact CE2-CB 4.33Å; F207-Y234 HydrophobicContact CB-CD2 4.34Å; F207-Y234 HydrophobicContact CB-CE1 4.3Å; F207-Y234 HydrophobicContact CB-CE2 4.1Å; F207-Y234 AromaticContact CD2-CD2 3.68Å; F207-Y234 HydrophobicContact CD2-CD2 3.68Å; F207-Y234 AromaticContact CD2-CE2 3.92Å; F207-Y234 HydrophobicContact CD2-CE2 3.92Å; F207-Y234 HydrophobicContact CD2-CG 4.29Å; F207-Y234 HydrophobicContact CG-CE2 4.49Å; F207-Y234 PolarHBondContact N-OH 3.01Å |
| 208 | Q | 88.2 | Confident | 88.1 | Confident | 103 Ų | 103 | 56 Ų | 56 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | -178 | -168.5 | 66 | 43.4 | 0 | 0 | 113 | R206 N212 | R206-Q208 PolarHBondContact O-N 2.9Å; Q208-N212 PolarHBondContact NE2-OD1 3.43Å; Q208-N212 VanDerWaalsContact O-CB 3.26Å; Q208-N212 WeakPolarHBondContact O-CB 3.38Å; Q208-N212 PolarHBondContact O-N 2.8Å; Q208-N212 PolarHBondContact O-ND2 3.01Å |
| 209 | D | 86.2 | Confident | 87.6 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.3 | -43.3 | -178.3 | -64.2 | -29.7 | 0 | 0 | 0 | 109.9 | Y21 R206 F207 H213 | Y21-D209 HydrophobicContact CD2-CB 4.31Å; R206-D209 HydrophobicContact CB-CB 4.44Å; R206-D209 PolarHBondContact O-N 2.88Å; F207-D209 PolarHBondContact O-N 2.92Å; D209-H213 WeakPolarHBondContact O-CB 3.42Å; D209-H213 PolarHBondContact O-N 3.01Å; D209-H213 VanDerWaalsContact O-N 3.08Å |
| 210 | L | 86.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.6 | -46.6 | 177.8 | -170 | 73.7 | 0 | 0 | 0 | 112.2 | Y21 P205 R206 F207 N212 H213 F214 L230 Y234 F251 V254 | Y21-L210 HydrophobicContact CE2-CD1 4.07Å; P205-L210 HydrophobicContact CB-CB 4.44Å; R206-L210 PolarHBondContact O-N 3.22Å; F207-L210 PolarHBondContact O-N 3.03Å; L210-N212 PolarHBondContact O-N 3.03Å; L210-H213 WeakPolarHBondContact O-CB 3.29Å; L210-H213 PolarHBondContact O-N 3.26Å; L210-F214 HydrophobicContact CD1-CD2 4.32Å; L210-F214 HydrophobicContact CD1-CE1 4.46Å; L210-F214 HydrophobicContact CD1-CE2 3.57Å; L210-F214 HydrophobicContact CD1-CZ 3.65Å; L210-F214 HydrophobicContact CD2-CE2 3.85Å; L210-F214 HydrophobicContact CG-CD2 3.91Å; L210-F214 HydrophobicContact CG-CE2 3.45Å; L210-F214 VanDerWaalsContact CG-CE2 3.45Å; L210-F214 HydrophobicContact CG-CZ 4.1Å; L210-F214 PolarHBondContact O-N 2.73Å; L210-L230 HydrophobicContact CD2-CD1 4.46Å; L210-L230 HydrophobicContact CD2-CD2 3.9Å; L210-Y234 HydrophobicContact CD2-CE2 4.13Å; L210-F251 HydrophobicContact CD1-CZ 4.29Å; L210-F251 HydrophobicContact CD2-CE2 4Å; L210-F251 HydrophobicContact CD2-CZ 3.72Å; L210-V254 HydrophobicContact CD2-CG1 4.48Å |
| 211 | F | 89.1 | Confident | 86.9 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 178.6 | 174.4 | -102.1 | 0 | 0 | 0 | 111.6 | F207 H213 F214 N215 I223 L226 L230 | F207-F211 HydrophobicContact CE1-CB 4.33Å; F207-F211 WeakPolarHBondContact O-CB 3.4Å; F207-F211 PolarHBondContact O-N 3.29Å; F211-H213 VanDerWaalsContact C-N 3.3Å; F211-H213 PolarHBondContact O-N 2.9Å; F211-F214 PolarHBondContact O-N 2.82Å; F211-N215 WeakPolarHBondContact O-CB 3.33Å; F211-N215 PolarHBondContact O-N 2.81Å; F211-I223 HydrophobicContact CE2-CG2 4.26Å; F211-I223 HydrophobicContact CZ-CG2 3.56Å; F211-L226 HydrophobicContact CD2-CD2 4.15Å; F211-L226 HydrophobicContact CD2-CG 4.12Å; F211-L226 HydrophobicContact CE2-CB 4.42Å; F211-L226 HydrophobicContact CE2-CD2 4.19Å; F211-L226 HydrophobicContact CE2-CG 4.21Å; F211-L230 HydrophobicContact CB-CD1 3.96Å; F211-L230 HydrophobicContact CD2-CD1 4.07Å |
| 212 | N | 87.8 | Confident | 86.7 | Confident | 67 Ų | 67 | 50.5 Ų | 50.5 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 176.2 | -71.5 | -14.5 | 0 | 0 | 0 | 111.1 | Q208 L210 M216 | Q208-N212 PolarHBondContact NE2-OD1 3.43Å; Q208-N212 VanDerWaalsContact O-CB 3.26Å; Q208-N212 WeakPolarHBondContact O-CB 3.38Å; Q208-N212 PolarHBondContact O-N 2.8Å; Q208-N212 PolarHBondContact O-ND2 3.01Å; L210-N212 PolarHBondContact O-N 3.03Å; N212-M216 WeakPolarHBondContact O-CB 3.46Å; N212-M216 VanDerWaalsContact O-CG 3.25Å; N212-M216 WeakPolarHBondContact O-CG 3.35Å; N212-M216 PolarHBondContact O-N 3.42Å |
| 213 | H | 85.8 | Confident | 86.6 | Confident | 28 Ų | 28 | 54.5 Ų | 54.5 | 13% | 0.13 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.9 | -50.9 | 178.2 | 176.8 | 61 | 0 | 0 | 0 | 112.3 | Y21 D209 L210 F211 M216 T217 | Y21-H213 HydrophobicContact CD1-CB 3.75Å; Y21-H213 AromaticContact CD1-CD2 3.8Å; Y21-H213 AromaticContact CD1-CE1 3.9Å; Y21-H213 AromaticContact CD1-CG 3.36Å; Y21-H213 AromaticContact CD1-ND1 3.44Å; Y21-H213 WeakPolarHBondContact CD1-ND1 3.22Å; Y21-H213 HydrophobicContact CD2-CB 4.18Å; Y21-H213 HydrophobicContact CE1-CB 4.12Å; Y21-H213 AromaticContact CE1-CD2 3.35Å; Y21-H213 WeakPolarHBondContact CE1-CD2 3Å; Y21-H213 AromaticContact CE1-CE1 3.78Å; Y21-H213 AromaticContact CE1-CG 3.45Å; Y21-H213 VanDerWaalsContact CE1-CG 3.45Å; Y21-H213 AromaticContact CE1-ND1 3.73Å; Y21-H213 AromaticContact CE1-NE2 3.57Å; Y21-H213 HydrophobicContact CG-CB 3.79Å; Y21-H213 AromaticContact CG-CG 3.96Å; Y21-H213 AromaticContact CZ-CD2 3.8Å; D209-H213 WeakPolarHBondContact O-CB 3.42Å; D209-H213 PolarHBondContact O-N 3.01Å; D209-H213 VanDerWaalsContact O-N 3.08Å; L210-H213 WeakPolarHBondContact O-CB 3.29Å; L210-H213 PolarHBondContact O-N 3.26Å; F211-H213 VanDerWaalsContact C-N 3.3Å; F211-H213 PolarHBondContact O-N 2.9Å; H213-M216 PolarHBondContact O-N 2.75Å; H213-T217 PolarHBondContact CE1-OG1 2.92Å; H213-T217 VanDerWaalsContact CE1-OG1 3.3Å; H213-T217 WeakPolarHBondContact O-CB 3.45Å; H213-T217 PolarHBondContact O-N 3.18Å; H213-T217 PolarHBondContact O-OG1 3.36Å |
| 214 | F | 87.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68 | -37.6 | 179.9 | -68.4 | -34.1 | 0 | 0 | 0 | 112.7 | L210 F211 M216 T217 Y218 L226 L230 V254 D255 T258 | L210-F214 HydrophobicContact CD1-CD2 4.32Å; L210-F214 HydrophobicContact CD1-CE1 4.46Å; L210-F214 HydrophobicContact CD1-CE2 3.57Å; L210-F214 HydrophobicContact CD1-CZ 3.65Å; L210-F214 HydrophobicContact CD2-CE2 3.85Å; L210-F214 HydrophobicContact CG-CD2 3.91Å; L210-F214 HydrophobicContact CG-CE2 3.45Å; L210-F214 VanDerWaalsContact CG-CE2 3.45Å; L210-F214 HydrophobicContact CG-CZ 4.1Å; L210-F214 PolarHBondContact O-N 2.73Å; F211-F214 PolarHBondContact O-N 2.82Å; F214-M216 VanDerWaalsContact C-N 3.29Å; F214-M216 PolarHBondContact O-N 2.88Å; F214-T217 PolarHBondContact O-N 2.87Å; F214-Y218 HydrophobicContact CB-CD2 4.39Å; F214-Y218 AromaticContact CD1-CD2 3.94Å; F214-Y218 HydrophobicContact CD1-CD2 3.94Å; F214-Y218 AromaticContact CD1-CE2 3.85Å; F214-Y218 HydrophobicContact CD1-CE2 3.85Å; F214-Y218 HydrophobicContact CE1-CE2 4.29Å; F214-Y218 WeakPolarHBondContact O-CA 3.38Å; F214-Y218 WeakPolarHBondContact O-CB 3.4Å; F214-Y218 PolarHBondContact O-N 3.01Å; F214-L226 HydrophobicContact CB-CD1 4.19Å; F214-L226 HydrophobicContact CB-CD2 3.82Å; F214-L226 HydrophobicContact CD2-CD1 4.37Å; F214-L230 HydrophobicContact CD2-CD1 4.17Å; F214-L230 HydrophobicContact CD2-CD2 4.34Å; F214-L230 HydrophobicContact CE2-CD2 4.21Å; F214-V254 HydrophobicContact CE2-CG1 3.57Å; F214-V254 HydrophobicContact CZ-CG1 3.9Å; F214-D255 VanDerWaalsContact CE1-OD1 3.22Å; F214-D255 WeakPolarHBondContact CE1-OD1 3.22Å; F214-D255 WeakPolarHBondContact CZ-OD1 3.35Å; F214-T258 HydrophobicContact CD2-CG2 3.95Å; F214-T258 HydrophobicContact CE2-CG2 3.97Å; F214-T258 HydrophobicContact CG-CG2 4.24Å; F214-T258 HydrophobicContact CZ-CG2 4.27Å |
| 215 | N | 86.8 | Confident | 86.8 | Confident | 51 Ų | 51 | 62.9 Ų | 62.9 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 175.5 | -171.6 | 29.6 | 0 | 0 | 0 | 111.9 | F211 L226 | F211-N215 WeakPolarHBondContact O-CB 3.33Å; F211-N215 PolarHBondContact O-N 2.81Å; N215-L226 HydrophobicContact CB-CD2 4.33Å |
| 216 | M | 85.7 | Confident | 87 | Confident | 164 Ų | 164 | 62.8 Ų | 62.8 | 81% | 0.808 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -74.6 | -34.7 | 175.5 | -69.5 | -177 | 85.6 | 0 | 0 | 113.2 | N212 H213 F214 | N212-M216 WeakPolarHBondContact O-CB 3.46Å; N212-M216 VanDerWaalsContact O-CG 3.25Å; N212-M216 WeakPolarHBondContact O-CG 3.35Å; N212-M216 PolarHBondContact O-N 3.42Å; H213-M216 PolarHBondContact O-N 2.75Å; F214-M216 VanDerWaalsContact C-N 3.29Å; F214-M216 PolarHBondContact O-N 2.88Å |
| 217 | T | 84.1 | Confident | 87.2 | Confident | 62 Ų | 62 | 57.8 Ų | 57.8 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -84.8 | -37.3 | -174 | -51.4 | 0 | 0 | 0 | 0 | 112.2 | H213 F214 | H213-T217 PolarHBondContact CE1-OG1 2.92Å; H213-T217 VanDerWaalsContact CE1-OG1 3.3Å; H213-T217 WeakPolarHBondContact O-CB 3.45Å; H213-T217 PolarHBondContact O-N 3.18Å; H213-T217 PolarHBondContact O-OG1 3.36Å; F214-T217 PolarHBondContact O-N 2.87Å |
| 218 | Y | 85.8 | Confident | 87.2 | Confident | 21 Ų | 21 | 59.2 Ų | 59.2 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | trans | -122.6 | 70 | -172 | -58.3 | -59.8 | 0 | 0 | 0 | 111.1 | F214 S220 I221 H262 | F214-Y218 HydrophobicContact CB-CD2 4.39Å; F214-Y218 AromaticContact CD1-CD2 3.94Å; F214-Y218 HydrophobicContact CD1-CD2 3.94Å; F214-Y218 AromaticContact CD1-CE2 3.85Å; F214-Y218 HydrophobicContact CD1-CE2 3.85Å; F214-Y218 HydrophobicContact CE1-CE2 4.29Å; F214-Y218 WeakPolarHBondContact O-CA 3.38Å; F214-Y218 WeakPolarHBondContact O-CB 3.4Å; F214-Y218 PolarHBondContact O-N 3.01Å; Y218-S220 PolarHBondContact O-N 3.38Å; Y218-S220 VanDerWaalsContact O-N 3.07Å; Y218-I221 HydrophobicContact CG-CD1 4.44Å; Y218-I221 PolarHBondContact O-N 3.39Å; Y218-H262 HydrophobicContact CD1-CB 3.48Å; Y218-H262 VanDerWaalsContact CD1-CB 3.48Å; Y218-H262 AromaticContact CD1-CD2 4Å; Y218-H262 AromaticContact CD1-CG 3.49Å; Y218-H262 VanDerWaalsContact CD1-CG 3.49Å; Y218-H262 AromaticContact CD1-ND1 3.86Å; Y218-H262 HydrophobicContact CE1-CB 4.09Å; Y218-H262 HydrophobicContact CG-CB 4.07Å | ||
| 219 | S | 81.9 | Confident | 87.3 | Confident | 104 Ų | 104 | 54.3 Ų | 54.3 | 73% | 0.727 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -10.3 | -176.3 | 64.3 | 0 | 0 | 0 | 0 | 115 | I221 | S219-I221 VanDerWaalsContact C-N 3.32Š|
| 220 | S | 83.9 | Confident | 87.6 | Confident | 44 Ų | 44 | 53 Ų | 53 | 31% | 0.308 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -18.4 | 177.4 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | Y218 H262 | Y218-S220 PolarHBondContact O-N 3.38Å; Y218-S220 VanDerWaalsContact O-N 3.07Å; S220-H262 WeakPolarHBondContact OG-CA 3.15Å; S220-H262 PolarHBondContact OG-ND1 2.9Å; S220-H262 PolarHBondContact OG-O 3.09Å |
| 221 | I | 87 | Confident | 87.8 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -87.1 | 125.9 | -177 | -53.7 | 171.6 | 0 | 0 | 0 | 108.8 | Y218 S219 I223 L226 W261 | Y218-I221 HydrophobicContact CG-CD1 4.44Å; Y218-I221 PolarHBondContact O-N 3.39Å; S219-I221 VanDerWaalsContact C-N 3.32Å; I221-I223 PolarHBondContact O-N 2.7Å; I221-L226 HydrophobicContact CG2-CB 4.04Å; I221-W261 HydrophobicContact CD1-CB 3.86Å; I221-W261 HydrophobicContact CD1-CD2 4.36Å; I221-W261 HydrophobicContact CD1-CE3 4.42Å; I221-W261 HydrophobicContact CD1-CG 4.12Å; I221-W261 HydrophobicContact CG1-CB 4.26Å; I221-W261 HydrophobicContact CG1-CD2 4.45Å; I221-W261 HydrophobicContact CG1-CG 4.14Å; I221-W261 HydrophobicContact CG2-CD2 3.82Å; I221-W261 HydrophobicContact CG2-CE3 3.92Å; I221-W261 HydrophobicContact CG2-CG 4.35Å; I221-W261 HydrophobicContact CG2-CZ2 4.41Å; I221-W261 HydrophobicContact CG2-CZ3 4.27Å |
| 222 | P | 88 | Confident | 87.9 | Confident | 58 Ų | 58 | 53 Ų | 53 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | trans | -58.2 | 129.1 | 175.8 | -25.5 | 34.8 | 0 | 0 | 0 | 112.2 | E224 R225 L226 | P222-E224 VanDerWaalsContact C-N 3.28Å; P222-E224 PolarHBondContact O-N 3.02Å; P222-R225 HydrophobicContact CB-CB 4.34Å; P222-R225 HydrophobicContact CB-CG 4.17Å; P222-R225 PolarHBondContact O-N 2.88Å; P222-L226 PolarHBondContact O-N 2.94Å | ||
| 223 | I | 88.8 | Confident | 88.1 | Confident | 94 Ų | 94 | 49.8 Ų | 49.8 | 48% | 0.482 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -53.2 | -43.7 | -174.5 | -58.7 | 178.9 | 0 | 0 | 0 | 112.1 | F211 I221 R225 L226 S227 | F211-I223 HydrophobicContact CE2-CG2 4.26Å; F211-I223 HydrophobicContact CZ-CG2 3.56Å; I221-I223 PolarHBondContact O-N 2.7Å; I223-R225 PolarHBondContact O-N 2.99Å; I223-L226 PolarHBondContact O-N 3.48Å; I223-S227 PolarHBondContact O-N 3.33Å; I223-S227 PolarHBondContact O-OG 3.3Å |
| 224 | E | 89.2 | Confident | 88.3 | Confident | 130 Ų | 130 | 50.9 Ų | 50.9 | 61% | 0.607 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -66.4 | -34.6 | 179 | -66.4 | -173.7 | -168.6 | 0 | 0 | 113.4 | P222 S227 R228 | P222-E224 VanDerWaalsContact C-N 3.28Å; P222-E224 PolarHBondContact O-N 3.02Å; E224-S227 PolarHBondContact O-OG 3.02Å; E224-R228 VanDerWaalsContact O-CG 3.24Å; E224-R228 WeakPolarHBondContact O-CG 3.2Å; E224-R228 PolarHBondContact O-N 3.43Å; E224-R228 IonicContact OE2-NH2 3.42Å; E224-R228 PolarHBondContact OE2-NH2 3.29Å |
| 225 | R | 88.1 | Confident | 88.4 | Confident | 125 Ų | 125 | 51.8 Ų | 51.8 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -73.6 | -41.8 | 179 | -68.6 | -174 | 178.3 | -178.3 | -2.2 | 110.7 | P222 I223 S227 R228 F229 W261 | P222-R225 HydrophobicContact CB-CB 4.34Å; P222-R225 HydrophobicContact CB-CG 4.17Å; P222-R225 PolarHBondContact O-N 2.88Å; I223-R225 PolarHBondContact O-N 2.99Å; R225-S227 VanDerWaalsContact C-N 3.34Å; R225-R228 PolarHBondContact O-N 2.94Å; R225-F229 WeakPolarHBondContact O-CB 3.47Å; R225-F229 PolarHBondContact O-N 2.88Å; R225-W261 HydrophobicContact CB-CH2 3.8Å; R225-W261 HydrophobicContact CB-CZ2 3.87Å |
| 226 | L | 90.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 174.7 | -179.2 | 63.6 | 0 | 0 | 0 | 111 | F211 F214 N215 I221 P222 I223 F229 L230 T258 | F211-L226 HydrophobicContact CD2-CD2 4.15Å; F211-L226 HydrophobicContact CD2-CG 4.12Å; F211-L226 HydrophobicContact CE2-CB 4.42Å; F211-L226 HydrophobicContact CE2-CD2 4.19Å; F211-L226 HydrophobicContact CE2-CG 4.21Å; F214-L226 HydrophobicContact CB-CD1 4.19Å; F214-L226 HydrophobicContact CB-CD2 3.82Å; F214-L226 HydrophobicContact CD2-CD1 4.37Å; N215-L226 HydrophobicContact CB-CD2 4.33Å; I221-L226 HydrophobicContact CG2-CB 4.04Å; P222-L226 PolarHBondContact O-N 2.94Å; I223-L226 PolarHBondContact O-N 3.48Å; L226-F229 PolarHBondContact O-N 3.15Å; L226-L230 HydrophobicContact CD1-CD1 4.19Å; L226-L230 HydrophobicContact CD1-CG 4.26Å; L226-L230 HydrophobicContact CG-CD1 4.25Å; L226-L230 WeakPolarHBondContact O-CB 3.46Å; L226-L230 WeakPolarHBondContact O-CG 3.33Å; L226-L230 PolarHBondContact O-N 3.46Å; L226-T258 HydrophobicContact CD1-CG2 4.22Å |
| 227 | S | 91.1 | Very high | 88.6 | Confident | 36 Ų | 36 | 42.4 Ų | 42.4 | 25% | 0.252 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.7 | -44 | -179.8 | 70.1 | 0 | 0 | 0 | 0 | 112.2 | I223 E224 R225 A231 | I223-S227 PolarHBondContact O-N 3.33Å; I223-S227 PolarHBondContact O-OG 3.3Å; E224-S227 PolarHBondContact O-OG 3.02Å; R225-S227 VanDerWaalsContact C-N 3.34Å; S227-A231 VanDerWaalsContact O-CB 3.24Å; S227-A231 WeakPolarHBondContact O-CB 2.98Å; S227-A231 PolarHBondContact O-N 2.9Å |
| 228 | R | 90 | Very high | 88.6 | Confident | 95 Ų | 95 | 41 Ų | 41 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65 | -44.8 | 177.8 | -68.9 | 174 | -156.7 | -158.2 | 0.4 | 112.4 | E224 R225 A231 F232 D297 | E224-R228 VanDerWaalsContact O-CG 3.24Å; E224-R228 WeakPolarHBondContact O-CG 3.2Å; E224-R228 PolarHBondContact O-N 3.43Å; E224-R228 IonicContact OE2-NH2 3.42Å; E224-R228 PolarHBondContact OE2-NH2 3.29Å; R225-R228 PolarHBondContact O-N 2.94Å; R228-A231 PolarHBondContact O-N 3.44Å; R228-F232 PolarHBondContact O-N 2.74Å; R228-D297 IonicContact CZ-OD2 3.64Å; R228-D297 IonicContact NH1-OD2 3.55Å; R228-D297 PolarHBondContact NH1-OD2 2.81Å |
| 229 | F | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 177.2 | 174.1 | -106.3 | 0 | 0 | 0 | 111.3 | R225 L226 A231 F232 V233 F249 L257 W261 A269 L272 L273 | R225-F229 WeakPolarHBondContact O-CB 3.47Å; R225-F229 PolarHBondContact O-N 2.88Å; L226-F229 PolarHBondContact O-N 3.15Å; F229-A231 VanDerWaalsContact C-N 3.34Å; F229-A231 PolarHBondContact O-N 3.49Å; F229-F232 PolarHBondContact O-N 2.87Å; F229-V233 HydrophobicContact CE1-CG2 4.28Å; F229-V233 HydrophobicContact CE2-CG2 4.4Å; F229-V233 HydrophobicContact CZ-CG2 4.13Å; F229-V233 WeakPolarHBondContact O-CG2 3.39Å; F229-V233 PolarHBondContact O-N 3.41Å; F229-V233 VanDerWaalsContact O-N 3.08Å; F229-F249 HydrophobicContact CZ-CZ 4.34Å; F229-L257 HydrophobicContact CZ-CD1 4Å; F229-W261 HydrophobicContact CB-CH2 4.22Å; F229-W261 HydrophobicContact CB-CZ3 3.88Å; F229-W261 HydrophobicContact CD1-CZ3 4.22Å; F229-W261 HydrophobicContact CG-CZ3 4.02Å; F229-A269 HydrophobicContact CB-CB 4.49Å; F229-A269 HydrophobicContact CD2-CB 4.23Å; F229-L272 HydrophobicContact CE2-CB 4.42Å; F229-L273 HydrophobicContact CE2-CD2 3.89Å; F229-L273 HydrophobicContact CE2-CG 4.31Å |
| 230 | L | 91.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 176 | -66.9 | -179 | 0 | 0 | 0 | 111.6 | F207 L210 F211 F214 L226 F232 V233 Y234 V254 | F207-L230 HydrophobicContact CD2-CB 4.13Å; F207-L230 HydrophobicContact CE2-CB 3.54Å; F207-L230 HydrophobicContact CZ-CB 4.38Å; L210-L230 HydrophobicContact CD2-CD1 4.46Å; L210-L230 HydrophobicContact CD2-CD2 3.9Å; F211-L230 HydrophobicContact CB-CD1 3.96Å; F211-L230 HydrophobicContact CD2-CD1 4.07Å; F214-L230 HydrophobicContact CD2-CD1 4.17Å; F214-L230 HydrophobicContact CD2-CD2 4.34Å; F214-L230 HydrophobicContact CE2-CD2 4.21Å; L226-L230 HydrophobicContact CD1-CD1 4.19Å; L226-L230 HydrophobicContact CD1-CG 4.26Å; L226-L230 HydrophobicContact CG-CD1 4.25Å; L226-L230 WeakPolarHBondContact O-CB 3.46Å; L226-L230 WeakPolarHBondContact O-CG 3.33Å; L226-L230 PolarHBondContact O-N 3.46Å; L230-F232 VanDerWaalsContact C-N 3.3Å; L230-F232 PolarHBondContact O-N 3.31Å; L230-V233 WeakPolarHBondContact O-CB 3.35Å; L230-V233 PolarHBondContact O-N 3.04Å; L230-V233 VanDerWaalsContact O-N 3.15Å; L230-Y234 VanDerWaalsContact O-CD2 3.31Å; L230-Y234 WeakPolarHBondContact O-CD2 3.39Å; L230-Y234 PolarHBondContact O-N 2.74Å; L230-V254 HydrophobicContact CD2-CG1 3.9Å |
| 231 | A | 91.5 | Very high | 87.4 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 22% | 0.223 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F207 S227 R228 F229 Y234 A235 F296 | F207-A231 HydrophobicContact CE2-CB 4.33Å; S227-A231 VanDerWaalsContact O-CB 3.24Å; S227-A231 WeakPolarHBondContact O-CB 2.98Å; S227-A231 PolarHBondContact O-N 2.9Å; R228-A231 PolarHBondContact O-N 3.44Å; F229-A231 VanDerWaalsContact C-N 3.34Å; F229-A231 PolarHBondContact O-N 3.49Å; A231-Y234 PolarHBondContact O-N 2.84Å; A231-A235 WeakPolarHBondContact O-CB 3.47Å; A231-A235 PolarHBondContact O-N 3.46Å; A231-F296 HydrophobicContact CB-CD1 3.89Å; A231-F296 HydrophobicContact CB-CE1 3.64Å |
| 232 | F | 90.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -46.2 | 172.2 | 172.9 | -98.2 | 0 | 0 | 0 | 112.4 | R228 F229 L230 Y234 A235 I236 L273 L292 C293 F296 L298 | R228-F232 PolarHBondContact O-N 2.74Å; F229-F232 PolarHBondContact O-N 2.87Å; L230-F232 VanDerWaalsContact C-N 3.3Å; L230-F232 PolarHBondContact O-N 3.31Å; F232-Y234 PolarHBondContact O-N 3.33Å; F232-A235 PolarHBondContact O-N 2.83Å; F232-A235 VanDerWaalsContact O-N 3.16Å; F232-I236 HydrophobicContact CD1-CD1 4.25Å; F232-I236 HydrophobicContact CE1-CD1 3.42Å; F232-I236 VanDerWaalsContact CE1-CD1 3.42Å; F232-I236 HydrophobicContact CE1-CG1 4.3Å; F232-I236 HydrophobicContact CE2-CD1 3.76Å; F232-I236 HydrophobicContact CE2-CG1 4.18Å; F232-I236 HydrophobicContact CZ-CD1 3.17Å; F232-I236 HydrophobicContact CZ-CG1 4.05Å; F232-I236 PolarHBondContact O-N 2.9Å; F232-L273 HydrophobicContact CD1-CD1 4.13Å; F232-L273 HydrophobicContact CD1-CD2 3.92Å; F232-L273 HydrophobicContact CE1-CD1 3.67Å; F232-L273 HydrophobicContact CE1-CD2 3.46Å; F232-L273 VanDerWaalsContact CE1-CD2 3.46Å; F232-L273 HydrophobicContact CE1-CG 4.23Å; F232-L273 HydrophobicContact CZ-CD1 4.06Å; F232-L273 HydrophobicContact CZ-CD2 4.45Å; F232-L292 HydrophobicContact CE2-CD2 4.34Å; F232-L292 HydrophobicContact CE2-CG 4.42Å; F232-C293 HydrophobicContact CE2-CB 4.45Å; F232-C293 WeakPolarHBondContact CE2-SG 3.31Å; F232-F296 HydrophobicContact CB-CB 4.28Å; F232-F296 HydrophobicContact CB-CD2 4.04Å; F232-F296 HydrophobicContact CB-CG 4.12Å; F232-F296 AromaticContact CD2-CD2 3.95Å; F232-F296 HydrophobicContact CD2-CD2 3.95Å; F232-L298 HydrophobicContact CB-CD1 3.76Å; F232-L298 HydrophobicContact CD1-CD1 4.04Å; F232-L298 HydrophobicContact CD2-CD1 3.59Å; F232-L298 HydrophobicContact CE2-CD1 4.12Å; F232-L298 HydrophobicContact CG-CD1 3.51Å |
| 233 | V | 90.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.1 | -48 | 177.2 | 170 | 0 | 0 | 0 | 0 | 111 | F229 L230 A235 I236 L237 F249 F251 V254 | F229-V233 HydrophobicContact CE1-CG2 4.28Å; F229-V233 HydrophobicContact CE2-CG2 4.4Å; F229-V233 HydrophobicContact CZ-CG2 4.13Å; F229-V233 WeakPolarHBondContact O-CG2 3.39Å; F229-V233 PolarHBondContact O-N 3.41Å; F229-V233 VanDerWaalsContact O-N 3.08Å; L230-V233 WeakPolarHBondContact O-CB 3.35Å; L230-V233 PolarHBondContact O-N 3.04Å; L230-V233 VanDerWaalsContact O-N 3.15Å; V233-A235 VanDerWaalsContact C-N 3.34Å; V233-A235 PolarHBondContact O-N 2.84Å; V233-I236 PolarHBondContact O-N 3.2Å; V233-L237 HydrophobicContact CG1-CD1 3.8Å; V233-L237 WeakPolarHBondContact O-CD1 3.31Å; V233-L237 VanDerWaalsContact O-CG 3.27Å; V233-L237 WeakPolarHBondContact O-CG 3.37Å; V233-L237 PolarHBondContact O-N 3.39Å; V233-F249 HydrophobicContact CB-CD1 4.38Å; V233-F249 HydrophobicContact CG1-CB 4.45Å; V233-F249 HydrophobicContact CG1-CD1 3.62Å; V233-F249 HydrophobicContact CG1-CE1 4.11Å; V233-F249 HydrophobicContact CG1-CG 4.08Å; V233-F249 HydrophobicContact CG2-CD1 3.98Å; V233-F249 HydrophobicContact CG2-CD2 4.27Å; V233-F249 HydrophobicContact CG2-CE1 3.82Å; V233-F249 HydrophobicContact CG2-CE2 4.11Å; V233-F249 HydrophobicContact CG2-CG 4.21Å; V233-F249 HydrophobicContact CG2-CZ 3.88Å; V233-F251 HydrophobicContact CG1-CD2 4.44Å; V233-V254 HydrophobicContact CG1-CG2 4.29Å |
| 234 | Y | 91.6 | Very high | 85.1 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.2 | -30.5 | 178.1 | -81.8 | -95 | 0 | 0 | 0 | 113 | P205 F207 L210 L230 A231 F232 L237 S238 F251 | P205-Y234 PolarHBondContact O-OH 2.73Å; F207-Y234 HydrophobicContact CB-CD2 4.34Å; F207-Y234 HydrophobicContact CB-CE1 4.3Å; F207-Y234 HydrophobicContact CB-CE2 4.1Å; F207-Y234 AromaticContact CD2-CD2 3.68Å; F207-Y234 HydrophobicContact CD2-CD2 3.68Å; F207-Y234 AromaticContact CD2-CE2 3.92Å; F207-Y234 HydrophobicContact CD2-CE2 3.92Å; F207-Y234 HydrophobicContact CD2-CG 4.29Å; F207-Y234 HydrophobicContact CG-CE2 4.49Å; F207-Y234 PolarHBondContact N-OH 3.01Å; L210-Y234 HydrophobicContact CD2-CE2 4.13Å; L230-Y234 VanDerWaalsContact O-CD2 3.31Å; L230-Y234 WeakPolarHBondContact O-CD2 3.39Å; L230-Y234 PolarHBondContact O-N 2.74Å; A231-Y234 PolarHBondContact O-N 2.84Å; F232-Y234 PolarHBondContact O-N 3.33Å; Y234-L237 PolarHBondContact O-N 3.01Å; Y234-S238 PolarHBondContact O-N 2.72Å; Y234-F251 HydrophobicContact CE2-CE2 4.46Å |
| 235 | A | 89.1 | Confident | 84.3 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A231 F232 V233 L237 S238 S241 L292 F296 | A231-A235 WeakPolarHBondContact O-CB 3.47Å; A231-A235 PolarHBondContact O-N 3.46Å; F232-A235 PolarHBondContact O-N 2.83Å; F232-A235 VanDerWaalsContact O-N 3.16Å; V233-A235 VanDerWaalsContact C-N 3.34Å; V233-A235 PolarHBondContact O-N 2.84Å; A235-L237 VanDerWaalsContact C-N 3.26Å; A235-L237 PolarHBondContact O-N 2.97Å; A235-S238 VanDerWaalsContact O-CB 3.3Å; A235-S238 WeakPolarHBondContact O-CB 3.49Å; A235-S238 PolarHBondContact O-N 2.82Å; A235-S238 PolarHBondContact O-OG 3.14Å; A235-S241 PolarHBondContact O-OG 2.76Å; A235-L292 HydrophobicContact CB-CD1 4.2Å; A235-F296 HydrophobicContact CB-CE2 3.46Å; A235-F296 VanDerWaalsContact CB-CE2 3.46Å; A235-F296 HydrophobicContact CB-CZ 3.56Å |
| 236 | I | 87.6 | Confident | 83.9 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.6 | -32 | 172.9 | -73.5 | -172.2 | 0 | 0 | 0 | 111.9 | F232 V233 S238 S241 F249 Y277 L289 L292 | F232-I236 HydrophobicContact CD1-CD1 4.25Å; F232-I236 HydrophobicContact CE1-CD1 3.42Å; F232-I236 VanDerWaalsContact CE1-CD1 3.42Å; F232-I236 HydrophobicContact CE1-CG1 4.3Å; F232-I236 HydrophobicContact CE2-CD1 3.76Å; F232-I236 HydrophobicContact CE2-CG1 4.18Å; F232-I236 HydrophobicContact CZ-CD1 3.17Å; F232-I236 HydrophobicContact CZ-CG1 4.05Å; F232-I236 PolarHBondContact O-N 2.9Å; V233-I236 PolarHBondContact O-N 3.2Å; I236-S238 VanDerWaalsContact C-N 3.28Å; I236-S238 PolarHBondContact O-N 3.47Å; I236-S241 VanDerWaalsContact C-OG 3.23Å; I236-S241 WeakPolarHBondContact O-CB 3.27Å; I236-S241 PolarHBondContact O-OG 2.89Å; I236-F249 HydrophobicContact CB-CB 4.42Å; I236-F249 HydrophobicContact CG2-CB 3.89Å; I236-Y277 HydrophobicContact CD1-CD1 4.29Å; I236-Y277 HydrophobicContact CD1-CE1 3.97Å; I236-L289 HydrophobicContact CD1-CD1 4.11Å; I236-L292 HydrophobicContact CG1-CD2 3.66Å |
| 237 | L | 88.4 | Confident | 83.7 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 8% | 0.079 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.2 | -179.5 | -66.6 | 165.5 | 0 | 0 | 0 | 113.8 | L204 V233 Y234 A235 D248 F249 F251 | L204-L237 HydrophobicContact CD1-CD1 3.71Å; V233-L237 HydrophobicContact CG1-CD1 3.8Å; V233-L237 WeakPolarHBondContact O-CD1 3.31Å; V233-L237 VanDerWaalsContact O-CG 3.27Å; V233-L237 WeakPolarHBondContact O-CG 3.37Å; V233-L237 PolarHBondContact O-N 3.39Å; Y234-L237 PolarHBondContact O-N 3.01Å; A235-L237 VanDerWaalsContact C-N 3.26Å; A235-L237 PolarHBondContact O-N 2.97Å; L237-D248 HydrophobicContact CD2-CB 3.76Å; L237-F249 HydrophobicContact CD1-CB 4.5Å; L237-F249 HydrophobicContact CD2-CB 4.27Å; L237-F249 HydrophobicContact CG-CB 4.22Å; L237-F251 HydrophobicContact CD1-CD2 4.11Å |
| 238 | S | 85.8 | Confident | 83.5 | Confident | 34 Ų | 34 | 48 Ų | 48 | 24% | 0.238 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -66.9 | 164.2 | -178.9 | 73.3 | 0 | 0 | 0 | 0 | 113 | Y234 A235 I236 E240 S241 S242 | Y234-S238 PolarHBondContact O-N 2.72Å; A235-S238 VanDerWaalsContact O-CB 3.3Å; A235-S238 WeakPolarHBondContact O-CB 3.49Å; A235-S238 PolarHBondContact O-N 2.82Å; A235-S238 PolarHBondContact O-OG 3.14Å; I236-S238 VanDerWaalsContact C-N 3.28Å; I236-S238 PolarHBondContact O-N 3.47Å; S238-E240 VanDerWaalsContact C-N 3.25Å; S238-E240 PolarHBondContact O-N 3.25Å; S238-S241 PolarHBondContact N-OG 2.66Å; S238-S241 PolarHBondContact O-OG 3.42Å; S238-S241 PolarHBondContact OG-N 3.16Å; S238-S241 PolarHBondContact OG-OG 2.59Å; S238-S242 PolarHBondContact O-N 2.74Å; S238-S242 PolarHBondContact O-OG 2.74Å |
| 239 | E | 75.9 | Confident | 83.6 | Confident | 156 Ų | 156 | 43.7 Ų | 43.7 | 73% | 0.729 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -70.2 | -26.4 | 173.9 | -66.4 | -172.9 | 169 | 0 | 0 | 111.9 | S242 Q243 | E239-S242 WeakPolarHBondContact O-CB 3.23Å; E239-S242 PolarHBondContact O-N 3.22Å; E239-Q243 PolarHBondContact O-N 3.41Å |
| 240 | E | 74.9 | Confident | 83.6 | Confident | 154 Ų | 154 | 43.9 Ų | 43.9 | 72% | 0.72 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -67.3 | -45 | 179.4 | -63.4 | 172 | 177.3 | 0 | 0 | 111.3 | S238 S242 Q243 | S238-E240 VanDerWaalsContact C-N 3.25Å; S238-E240 PolarHBondContact O-N 3.25Å; E240-S242 VanDerWaalsContact C-N 3.27Å; E240-S242 PolarHBondContact O-N 3.45Å; E240-Q243 WeakPolarHBondContact O-CB 3.41Å; E240-Q243 PolarHBondContact O-N 3.26Å |
| 241 | S | 74.7 | Confident | 83.4 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.5 | -29.5 | 173.8 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | A235 I236 S238 Q243 L244 Q245 | A235-S241 PolarHBondContact O-OG 2.76Å; I236-S241 VanDerWaalsContact C-OG 3.23Å; I236-S241 WeakPolarHBondContact O-CB 3.27Å; I236-S241 PolarHBondContact O-OG 2.89Å; S238-S241 PolarHBondContact N-OG 2.66Å; S238-S241 PolarHBondContact O-OG 3.42Å; S238-S241 PolarHBondContact OG-N 3.16Å; S238-S241 PolarHBondContact OG-OG 2.59Å; S241-Q243 PolarHBondContact O-N 2.79Å; S241-L244 WeakPolarHBondContact O-CA 3.4Å; S241-L244 WeakPolarHBondContact O-CB 2.93Å; S241-L244 PolarHBondContact O-N 3.38Å; S241-Q245 PolarHBondContact O-N 2.79Å |
| 242 | S | 71.6 | Confident | 83 | Confident | 37 Ų | 37 | 44.2 Ų | 44.2 | 26% | 0.259 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.3 | -30.9 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | R183 S238 E239 E240 L244 Q245 | R183-S242 PolarHBondContact NH2-OG 3.23Å; S238-S242 PolarHBondContact O-N 2.74Å; S238-S242 PolarHBondContact O-OG 2.74Å; E239-S242 WeakPolarHBondContact O-CB 3.23Å; E239-S242 PolarHBondContact O-N 3.22Å; E240-S242 VanDerWaalsContact C-N 3.27Å; E240-S242 PolarHBondContact O-N 3.45Å; S242-L244 VanDerWaalsContact C-N 3.28Å; S242-L244 PolarHBondContact O-N 3.26Å; S242-Q245 PolarHBondContact O-N 3.12Å; S242-Q245 VanDerWaalsContact O-N 3.16Å |
| 243 | Q | 70.5 | Confident | 83 | Confident | 160 Ų | 160 | 44.3 Ų | 44.3 | 75% | 0.748 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -69.7 | -27 | 174 | -62.5 | 179.4 | 6 | 0 | 0 | 112.4 | E239 E240 S241 Q245 | E239-Q243 PolarHBondContact O-N 3.41Å; E240-Q243 WeakPolarHBondContact O-CB 3.41Å; E240-Q243 PolarHBondContact O-N 3.26Å; S241-Q243 PolarHBondContact O-N 2.79Å; Q243-Q245 PolarHBondContact O-N 3.04Å |
| 244 | L | 73.7 | Confident | 82.9 | Confident | 89 Ų | 89 | 44.3 Ų | 44.3 | 47% | 0.466 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -2.6 | 173.4 | -57.9 | 175 | 0 | 0 | 0 | 112.8 | S241 S242 F246 P288 | S241-L244 WeakPolarHBondContact O-CA 3.4Å; S241-L244 WeakPolarHBondContact O-CB 2.93Å; S241-L244 PolarHBondContact O-N 3.38Å; S242-L244 VanDerWaalsContact C-N 3.28Å; S242-L244 PolarHBondContact O-N 3.26Å; L244-F246 HydrophobicContact CB-CD2 3.75Å; L244-F246 HydrophobicContact CB-CE2 3.62Å; L244-F246 HydrophobicContact CB-CG 4.45Å; L244-F246 HydrophobicContact CB-CZ 4.2Å; L244-F246 HydrophobicContact CD1-CD2 4.25Å; L244-F246 HydrophobicContact CD1-CE2 3.7Å; L244-F246 HydrophobicContact CG-CE2 4.3Å; L244-F246 PolarHBondContact O-N 3.13Å; L244-P288 HydrophobicContact CD1-CB 4.15Å |
| 245 | Q | 72.2 | Confident | 82.7 | Confident | 111 Ų | 111 | 44 Ų | 44 | 52% | 0.519 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 26.4 | 176.4 | -56.8 | 175.7 | -9.3 | 0 | 0 | 114.3 | S241 S242 Q243 | S241-Q245 PolarHBondContact O-N 2.79Å; S242-Q245 PolarHBondContact O-N 3.12Å; S242-Q245 VanDerWaalsContact O-N 3.16Å; Q243-Q245 PolarHBondContact O-N 3.04Å |
| 246 | F | 80 | Confident | 82.6 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 9% | 0.092 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 145.4 | 169.8 | -62.4 | -44.1 | 0 | 0 | 0 | 110.8 | L244 D248 P286 P288 L289 | L244-F246 HydrophobicContact CB-CD2 3.75Å; L244-F246 HydrophobicContact CB-CE2 3.62Å; L244-F246 HydrophobicContact CB-CG 4.45Å; L244-F246 HydrophobicContact CB-CZ 4.2Å; L244-F246 HydrophobicContact CD1-CD2 4.25Å; L244-F246 HydrophobicContact CD1-CE2 3.7Å; L244-F246 HydrophobicContact CG-CE2 4.3Å; L244-F246 PolarHBondContact O-N 3.13Å; F246-D248 PolarHBondContact O-N 2.9Å; F246-P286 HydrophobicContact CE1-CB 3.73Å; F246-P286 HydrophobicContact CE1-CG 3.83Å; F246-P286 HydrophobicContact CZ-CB 4Å; F246-P288 HydrophobicContact CE2-CB 4.17Å; F246-P288 HydrophobicContact CZ-CB 3.97Å; F246-P288 HydrophobicContact CZ-CG 4.44Å; F246-L289 HydrophobicContact CE1-CB 4.3Å; F246-L289 HydrophobicContact CE2-CB 4.12Å; F246-L289 HydrophobicContact CZ-CB 3.89Å |
| 247 | P | 84.9 | Confident | 82.7 | Confident | 21 Ų | 21 | 44.4 Ų | 44.4 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -64 | 138.1 | 172.1 | 28.1 | -33.3 | 0 | 0 | 0 | 109.9 | Y277 L536 | P247-Y277 WeakPolarHBondContact CD-OH 3.48Å; P247-Y277 HydrophobicContact CG-CE2 4.1Å; P247-Y277 WeakPolarHBondContact O-CE2 3.49Å; P247-Y277 PolarHBondContact O-OH 2.76Å; P247-L536 HydrophobicContact CB-CD1 3.8Å; P247-L536 HydrophobicContact CG-CD1 3.82Å |
| 248 | D | 88 | Confident | 82.7 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.043 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 144.1 | 173.4 | -71.4 | -27.9 | 0 | 0 | 0 | 111.6 | R183 Y184 L237 F246 S533 | R183-D248 IonicContact CZ-OD1 3.72Å; R183-D248 IonicContact CZ-OD2 2.89Å; R183-D248 IonicContact NE-OD2 2.98Å; R183-D248 PolarHBondContact NE-OD2 2.86Å; R183-D248 IonicContact NH2-OD1 3.75Å; R183-D248 PolarHBondContact NH2-OD1 3.46Å; R183-D248 IonicContact NH2-OD2 2.82Å; R183-D248 PolarHBondContact NH2-OD2 3.3Å; R183-D248 VanDerWaalsContact NH2-OD2 3.16Å; Y184-D248 WeakPolarHBondContact CE1-OD2 3.19Å; Y184-D248 PolarHBondContact OH-OD2 3.36Å; L237-D248 HydrophobicContact CD2-CB 3.76Å; F246-D248 PolarHBondContact O-N 2.9Å; D248-S533 PolarHBondContact N-OG 3.43Å |
| 249 | F | 91 | Very high | 82.8 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 135.3 | 174.8 | -173.5 | -85.1 | 0 | 0 | 0 | 110.9 | F229 V233 I236 L237 F251 V254 L257 L273 S276 Y277 | F229-F249 HydrophobicContact CZ-CZ 4.34Å; V233-F249 HydrophobicContact CB-CD1 4.38Å; V233-F249 HydrophobicContact CG1-CB 4.45Å; V233-F249 HydrophobicContact CG1-CD1 3.62Å; V233-F249 HydrophobicContact CG1-CE1 4.11Å; V233-F249 HydrophobicContact CG1-CG 4.08Å; V233-F249 HydrophobicContact CG2-CD1 3.98Å; V233-F249 HydrophobicContact CG2-CD2 4.27Å; V233-F249 HydrophobicContact CG2-CE1 3.82Å; V233-F249 HydrophobicContact CG2-CE2 4.11Å; V233-F249 HydrophobicContact CG2-CG 4.21Å; V233-F249 HydrophobicContact CG2-CZ 3.88Å; I236-F249 HydrophobicContact CB-CB 4.42Å; I236-F249 HydrophobicContact CG2-CB 3.89Å; L237-F249 HydrophobicContact CD1-CB 4.5Å; L237-F249 HydrophobicContact CD2-CB 4.27Å; L237-F249 HydrophobicContact CG-CB 4.22Å; F249-F251 PolarHBondContact O-N 3.03Å; F249-V254 HydrophobicContact CD1-CG2 4.27Å; F249-V254 HydrophobicContact CE1-CG2 3.63Å; F249-L257 HydrophobicContact CZ-CD1 4.13Å; F249-L273 HydrophobicContact CE2-CD2 3.79Å; F249-S276 WeakPolarHBondContact CE2-OG 3.3Å; F249-S276 WeakPolarHBondContact CZ-OG 3.49Å; F249-Y277 HydrophobicContact CD2-CD2 4.07Å; F249-Y277 HydrophobicContact CD2-CG 4.22Å |
| 250 | P | 90.4 | Very high | 83.4 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | trans | -73.5 | 92.5 | -179.6 | 30.7 | -35.6 | 0 | 0 | 0 | 111.4 | D252 H253 S276 L536 A537 | P250-D252 PolarHBondContact O-N 3.47Å; P250-D252 VanDerWaalsContact O-N 3.15Å; P250-H253 PolarHBondContact O-N 2.5Å; P250-S276 VanDerWaalsContact CG-O 3.31Å; P250-S276 WeakPolarHBondContact CG-O 2.78Å; P250-L536 HydrophobicContact CB-CB 4.32Å; P250-L536 WeakPolarHBondContact CB-O 3.35Å; P250-L536 HydrophobicContact CG-CB 4.21Å; P250-L536 WeakPolarHBondContact CG-O 3.29Å; P250-A537 HydrophobicContact CB-CB 4.42Å | ||
| 251 | F | 88.5 | Confident | 84.2 | Confident | 19 Ų | 19 | 30.1 Ų | 30.1 | 8% | 0.083 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -59 | -30.5 | -174.4 | -167.2 | -90.6 | 0 | 0 | 0 | 113.4 | L204 P205 L210 V233 Y234 L237 F249 H253 V254 | L204-F251 HydrophobicContact CD1-CD2 4.16Å; L204-F251 HydrophobicContact CD2-CB 4.01Å; L204-F251 HydrophobicContact CD2-CD1 3.86Å; L204-F251 HydrophobicContact CD2-CD2 4Å; L204-F251 HydrophobicContact CD2-CE1 4.36Å; L204-F251 HydrophobicContact CD2-CE2 4.47Å; L204-F251 HydrophobicContact CD2-CG 3.67Å; P205-F251 HydrophobicContact CB-CZ 4.47Å; P205-F251 VanDerWaalsContact CD-CZ 3.42Å; P205-F251 HydrophobicContact CG-CE1 3.79Å; P205-F251 HydrophobicContact CG-CZ 3.72Å; L210-F251 HydrophobicContact CD1-CZ 4.29Å; L210-F251 HydrophobicContact CD2-CE2 4Å; L210-F251 HydrophobicContact CD2-CZ 3.72Å; V233-F251 HydrophobicContact CG1-CD2 4.44Å; Y234-F251 HydrophobicContact CE2-CE2 4.46Å; L237-F251 HydrophobicContact CD1-CD2 4.11Å; F249-F251 PolarHBondContact O-N 3.03Å; F251-H253 PolarHBondContact O-N 3.43Å; F251-H253 VanDerWaalsContact O-N 3.15Å; F251-V254 HydrophobicContact CD2-CG2 4.3Å; F251-V254 WeakPolarHBondContact O-CB 3.48Å; F251-V254 VanDerWaalsContact O-CG2 3.3Å; F251-V254 WeakPolarHBondContact O-CG2 3.4Å; F251-V254 PolarHBondContact O-N 3.16Å |
| 252 | D | 83.7 | Confident | 84.9 | Confident | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.08 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -63.6 | -18.6 | 178.1 | -66.2 | -26.5 | 0 | 0 | 0 | 113.7 | G49 R50 P250 H256 | G49-D252 VanDerWaalsContact C-OD2 3.3Å; G49-D252 WeakPolarHBondContact CA-OD2 3.39Å; R50-D252 PolarHBondContact N-OD2 3.09Å; P250-D252 PolarHBondContact O-N 3.47Å; P250-D252 VanDerWaalsContact O-N 3.15Å; D252-H256 PolarHBondContact O-ND1 3.48Å |
| 253 | H | 89.2 | Confident | 85.6 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -85.4 | -15.1 | 176.6 | -63.9 | -28.3 | 0 | 0 | 0 | 112.9 | P250 F251 D255 H256 L257 L536 A537 F539 L540 | P250-H253 PolarHBondContact O-N 2.5Å; F251-H253 PolarHBondContact O-N 3.43Å; F251-H253 VanDerWaalsContact O-N 3.15Å; H253-D255 PolarHBondContact O-N 2.72Å; H253-H256 PolarHBondContact O-N 3.18Å; H253-H256 VanDerWaalsContact O-N 3.12Å; H253-L257 HydrophobicContact CB-CD1 4.32Å; H253-L257 HydrophobicContact CB-CG 4.48Å; H253-L257 WeakPolarHBondContact O-CB 3.32Å; H253-L257 WeakPolarHBondContact O-CG 3.2Å; H253-L257 PolarHBondContact O-N 3.48Å; H253-L536 PolarHBondContact CD2-O 3.49Å; H253-L536 PolarHBondContact NE2-O 3.41Å; H253-L536 VanDerWaalsContact NE2-O 3.14Å; H253-A537 PolarHBondContact CE1-O 3.04Å; H253-A537 VanDerWaalsContact CE1-O 3.25Å; H253-A537 PolarHBondContact NE2-O 3.37Å; H253-F539 PolarHBondContact NE2-O 3.14Å; H253-L540 HydrophobicContact CB-CD2 4.2Å |
| 254 | V | 89.8 | Confident | 86.5 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | -176.1 | -179.6 | 0 | 0 | 0 | 0 | 112 | L210 F214 L230 V233 F249 F251 H256 L257 T258 | L210-V254 HydrophobicContact CD2-CG1 4.48Å; F214-V254 HydrophobicContact CE2-CG1 3.57Å; F214-V254 HydrophobicContact CZ-CG1 3.9Å; L230-V254 HydrophobicContact CD2-CG1 3.9Å; V233-V254 HydrophobicContact CG1-CG2 4.29Å; F249-V254 HydrophobicContact CD1-CG2 4.27Å; F249-V254 HydrophobicContact CE1-CG2 3.63Å; F251-V254 HydrophobicContact CD2-CG2 4.3Å; F251-V254 WeakPolarHBondContact O-CB 3.48Å; F251-V254 VanDerWaalsContact O-CG2 3.3Å; F251-V254 WeakPolarHBondContact O-CG2 3.4Å; F251-V254 PolarHBondContact O-N 3.16Å; V254-H256 PolarHBondContact O-N 2.83Å; V254-L257 PolarHBondContact O-N 2.87Å; V254-T258 HydrophobicContact CG1-CG2 4.43Å; V254-T258 WeakPolarHBondContact O-CB 3.34Å; V254-T258 WeakPolarHBondContact O-CG2 3.47Å; V254-T258 PolarHBondContact O-N 3.42Å; V254-T258 PolarHBondContact O-OG1 2.97Å |
| 255 | D | 85.9 | Confident | 87.1 | Confident | 45 Ų | 45 | 25 Ų | 25 | 24% | 0.241 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.7 | -69.5 | -34.1 | 0 | 0 | 0 | 111.7 | F214 H253 T258 Q259 | F214-D255 VanDerWaalsContact CE1-OD1 3.22Å; F214-D255 WeakPolarHBondContact CE1-OD1 3.22Å; F214-D255 WeakPolarHBondContact CZ-OD1 3.35Å; H253-D255 PolarHBondContact O-N 2.72Å; D255-T258 WeakPolarHBondContact CA-OG1 3.45Å; D255-T258 PolarHBondContact O-OG1 2.92Å; D255-Q259 WeakPolarHBondContact O-CB 3.33Å; D255-Q259 PolarHBondContact O-N 3.32Å |
| 256 | H | 87.4 | Confident | 87.8 | Confident | 31 Ų | 31 | 20.8 Ų | 20.8 | 14% | 0.144 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.6 | -42.6 | 179.6 | -60.1 | 101 | 0 | 0 | 0 | 111.5 | D252 H253 V254 Q259 L260 L376 | D252-H256 PolarHBondContact O-ND1 3.48Å; H253-H256 PolarHBondContact O-N 3.18Å; H253-H256 VanDerWaalsContact O-N 3.12Å; V254-H256 PolarHBondContact O-N 2.83Å; H256-Q259 PolarHBondContact O-N 2.96Å; H256-L260 PolarHBondContact O-N 3.16Å; H256-L376 HydrophobicContact CB-CB 4.27Å; H256-L376 HydrophobicContact CB-CD1 4.24Å; H256-L376 HydrophobicContact CB-CD2 4.12Å; H256-L376 HydrophobicContact CB-CG 4.45Å; H256-L376 WeakPolarHBondContact O-CD2 3.18Å |
| 257 | L | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.8 | -40.4 | 178.9 | -66.1 | 169.6 | 0 | 0 | 0 | 112 | F229 F249 H253 V254 Q259 L260 W261 L272 F275 S276 L376 | F229-L257 HydrophobicContact CZ-CD1 4Å; F249-L257 HydrophobicContact CZ-CD1 4.13Å; H253-L257 HydrophobicContact CB-CD1 4.32Å; H253-L257 HydrophobicContact CB-CG 4.48Å; H253-L257 WeakPolarHBondContact O-CB 3.32Å; H253-L257 WeakPolarHBondContact O-CG 3.2Å; H253-L257 PolarHBondContact O-N 3.48Å; V254-L257 PolarHBondContact O-N 2.87Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-L260 PolarHBondContact O-N 3.42Å; L257-W261 WeakPolarHBondContact O-CB 3.33Å; L257-W261 PolarHBondContact O-N 3.38Å; L257-L272 HydrophobicContact CB-CD2 4.42Å; L257-L272 HydrophobicContact CD2-CB 4.34Å; L257-L272 HydrophobicContact CD2-CD2 4.25Å; L257-F275 HydrophobicContact CD2-CB 4.1Å; L257-S276 WeakPolarHBondContact CD1-OG 3.45Å; L257-L376 HydrophobicContact CD2-CD1 4.49Å |
| 258 | T | 89.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.1 | -35.9 | 176.3 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | F214 L226 V254 D255 W261 H262 | F214-T258 HydrophobicContact CD2-CG2 3.95Å; F214-T258 HydrophobicContact CE2-CG2 3.97Å; F214-T258 HydrophobicContact CG-CG2 4.24Å; F214-T258 HydrophobicContact CZ-CG2 4.27Å; L226-T258 HydrophobicContact CD1-CG2 4.22Å; V254-T258 HydrophobicContact CG1-CG2 4.43Å; V254-T258 WeakPolarHBondContact O-CB 3.34Å; V254-T258 WeakPolarHBondContact O-CG2 3.47Å; V254-T258 PolarHBondContact O-N 3.42Å; V254-T258 PolarHBondContact O-OG1 2.97Å; D255-T258 WeakPolarHBondContact CA-OG1 3.45Å; D255-T258 PolarHBondContact O-OG1 2.92Å; T258-W261 PolarHBondContact O-N 2.93Å; T258-H262 PolarHBondContact O-N 3.17Å |
| 259 | Q | 87.8 | Confident | 88.3 | Confident | 58 Ų | 58 | 20.9 Ų | 20.9 | 27% | 0.271 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 169.7 | -177.1 | 173 | 6 | 0 | 0 | 112 | D255 H256 L257 W261 H262 D263 | D255-Q259 WeakPolarHBondContact O-CB 3.33Å; D255-Q259 PolarHBondContact O-N 3.32Å; H256-Q259 PolarHBondContact O-N 2.96Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; Q259-W261 VanDerWaalsContact C-N 3.29Å; Q259-W261 PolarHBondContact O-N 3.41Å; Q259-H262 WeakPolarHBondContact O-CB 3.39Å; Q259-H262 PolarHBondContact O-N 3.31Å; Q259-D263 PolarHBondContact O-N 2.85Å |
| 260 | L | 88.5 | Confident | 88 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 175.5 | -173.9 | 64.3 | 0 | 0 | 0 | 112 | H256 L257 H262 D263 C264 L267 L272 F275 L338 M372 L376 | H256-L260 PolarHBondContact O-N 3.16Å; L257-L260 PolarHBondContact O-N 3.42Å; L260-H262 VanDerWaalsContact C-N 3.26Å; L260-H262 PolarHBondContact O-N 3.49Å; L260-D263 PolarHBondContact O-N 3.22Å; L260-C264 PolarHBondContact O-N 3.01Å; L260-L267 HydrophobicContact CD2-CD1 3.91Å; L260-L267 HydrophobicContact CG-CD1 3.7Å; L260-L272 HydrophobicContact CD2-CD2 4.24Å; L260-F275 HydrophobicContact CD2-CD2 4.31Å; L260-F275 HydrophobicContact CD2-CE2 4.04Å; L260-L338 HydrophobicContact CD1-CD1 4.41Å; L260-M372 HydrophobicContact CD1-CB 4.41Å; L260-M372 HydrophobicContact CD2-CB 4.33Å; L260-L376 HydrophobicContact CB-CD1 3.88Å; L260-L376 HydrophobicContact CB-CD2 4Å; L260-L376 HydrophobicContact CB-CG 4.25Å; L260-L376 HydrophobicContact CD2-CD1 3.82Å; L260-L376 HydrophobicContact CG-CD1 4.34Å |
| 261 | W | 90.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.5 | -32.3 | 177.9 | -156.6 | -0.5 | 0 | 0 | 0 | 111.9 | I221 R225 F229 L257 T258 Q259 C264 P265 L267 A269 L272 | I221-W261 HydrophobicContact CD1-CB 3.86Å; I221-W261 HydrophobicContact CD1-CD2 4.36Å; I221-W261 HydrophobicContact CD1-CE3 4.42Å; I221-W261 HydrophobicContact CD1-CG 4.12Å; I221-W261 HydrophobicContact CG1-CB 4.26Å; I221-W261 HydrophobicContact CG1-CD2 4.45Å; I221-W261 HydrophobicContact CG1-CG 4.14Å; I221-W261 HydrophobicContact CG2-CD2 3.82Å; I221-W261 HydrophobicContact CG2-CE3 3.92Å; I221-W261 HydrophobicContact CG2-CG 4.35Å; I221-W261 HydrophobicContact CG2-CZ2 4.41Å; I221-W261 HydrophobicContact CG2-CZ3 4.27Å; R225-W261 HydrophobicContact CB-CH2 3.8Å; R225-W261 HydrophobicContact CB-CZ2 3.87Å; F229-W261 HydrophobicContact CB-CH2 4.22Å; F229-W261 HydrophobicContact CB-CZ3 3.88Å; F229-W261 HydrophobicContact CD1-CZ3 4.22Å; F229-W261 HydrophobicContact CG-CZ3 4.02Å; L257-W261 WeakPolarHBondContact O-CB 3.33Å; L257-W261 PolarHBondContact O-N 3.38Å; T258-W261 PolarHBondContact O-N 2.93Å; Q259-W261 VanDerWaalsContact C-N 3.29Å; Q259-W261 PolarHBondContact O-N 3.41Å; W261-C264 CarbonylContact O-C 3.48Å; W261-P265 VanDerWaalsContact O-CA 3.31Å; W261-P265 WeakPolarHBondContact O-CA 3.27Å; W261-L267 PolarHBondContact NE1-O 3.44Å; W261-A269 HydrophobicContact CH2-CB 4.07Å; W261-L272 HydrophobicContact CB-CD1 3.98Å; W261-L272 HydrophobicContact CD2-CD1 3.45Å; W261-L272 VanDerWaalsContact CD2-CD1 3.45Å; W261-L272 HydrophobicContact CE3-CD1 3.28Å; W261-L272 HydrophobicContact CG-CD1 3.81Å; W261-L272 HydrophobicContact CH2-CD1 4.4Å; W261-L272 HydrophobicContact CZ3-CD1 3.8Å |
| 262 | H | 89.7 | Confident | 87.9 | Confident | 69 Ų | 69 | 21.2 Ų | 21.2 | 32% | 0.319 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -67.2 | -46.6 | 171.8 | 179.2 | 70.7 | 0 | 0 | 0 | 112 | Y218 S220 T258 Q259 L260 C264 | Y218-H262 HydrophobicContact CD1-CB 3.48Å; Y218-H262 VanDerWaalsContact CD1-CB 3.48Å; Y218-H262 AromaticContact CD1-CD2 4Å; Y218-H262 AromaticContact CD1-CG 3.49Å; Y218-H262 VanDerWaalsContact CD1-CG 3.49Å; Y218-H262 AromaticContact CD1-ND1 3.86Å; Y218-H262 HydrophobicContact CE1-CB 4.09Å; Y218-H262 HydrophobicContact CG-CB 4.07Å; S220-H262 WeakPolarHBondContact OG-CA 3.15Å; S220-H262 PolarHBondContact OG-ND1 2.9Å; S220-H262 PolarHBondContact OG-O 3.09Å; T258-H262 PolarHBondContact O-N 3.17Å; Q259-H262 WeakPolarHBondContact O-CB 3.39Å; Q259-H262 PolarHBondContact O-N 3.31Å; L260-H262 VanDerWaalsContact C-N 3.26Å; L260-H262 PolarHBondContact O-N 3.49Å; H262-C264 VanDerWaalsContact C-N 3.3Å; H262-C264 PolarHBondContact O-N 2.97Å |
| 263 | D | 87 | Confident | 88.1 | Confident | 56 Ų | 56 | 20.5 Ų | 20.5 | 30% | 0.299 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -67.4 | -31.1 | 179.5 | -67.3 | -10.6 | 0 | 0 | 0 | 111.6 | Q259 L260 L338 | Q259-D263 PolarHBondContact O-N 2.85Å; L260-D263 PolarHBondContact O-N 3.22Å; D263-L338 HydrophobicContact CB-CD2 3.89Å |
| 264 | C | 88.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -133 | 81.7 | 178.5 | -166.9 | 0 | 0 | 0 | 0 | 111.7 | L260 W261 H262 S266 L267 C336 | L260-C264 PolarHBondContact O-N 3.01Å; W261-C264 CarbonylContact O-C 3.48Å; H262-C264 VanDerWaalsContact C-N 3.3Å; H262-C264 PolarHBondContact O-N 2.97Å; C264-S266 PolarHBondContact O-N 2.93Å; C264-S266 VanDerWaalsContact O-N 3.1Å; C264-S266 PolarHBondContact SG-OG 2.64Å; C264-L267 HydrophobicContact CB-CD1 3.79Å; C264-L267 HydrophobicContact CB-CG 4.09Å; C264-L267 WeakPolarHBondContact O-CB 3.31Å; C264-L267 PolarHBondContact O-N 2.93Å; C264-L267 VanDerWaalsContact O-N 3.14Å; C264-C336 HydrophobicContact CB-CB 4.25Å | ||
| 265 | P | 86 | Confident | 87.9 | Confident | 61 Ų | 61 | 20.7 Ų | 20.7 | 40% | 0.396 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -15.2 | -177.6 | -24 | 35 | 0 | 0 | 0 | 115 | W261 L267 | W261-P265 VanDerWaalsContact O-CA 3.31Å; W261-P265 WeakPolarHBondContact O-CA 3.27Å; P265-L267 PolarHBondContact O-N 2.6Å |
| 266 | S | 86.5 | Confident | 88.1 | Confident | 23 Ų | 23 | 18.6 Ų | 18.6 | 16% | 0.161 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15.5 | 176.4 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | C264 | C264-S266 PolarHBondContact O-N 2.93Å; C264-S266 VanDerWaalsContact O-N 3.1Å; C264-S266 PolarHBondContact SG-OG 2.64Å |
| 267 | L | 88.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -62.2 | 141.9 | 173.9 | -70.4 | 167.7 | 0 | 0 | 0 | 111.2 | L260 W261 C264 P265 N271 L272 F308 V331 M372 | L260-L267 HydrophobicContact CD2-CD1 3.91Å; L260-L267 HydrophobicContact CG-CD1 3.7Å; W261-L267 PolarHBondContact NE1-O 3.44Å; C264-L267 HydrophobicContact CB-CD1 3.79Å; C264-L267 HydrophobicContact CB-CG 4.09Å; C264-L267 WeakPolarHBondContact O-CB 3.31Å; C264-L267 PolarHBondContact O-N 2.93Å; C264-L267 VanDerWaalsContact O-N 3.14Å; P265-L267 PolarHBondContact O-N 2.6Å; L267-N271 HydrophobicContact CD2-CB 3.87Å; L267-L272 HydrophobicContact CD1-CD2 4.1Å; L267-F308 HydrophobicContact CD2-CE1 3.92Å; L267-F308 HydrophobicContact CD2-CZ 4.45Å; L267-V331 HydrophobicContact CD2-CG1 3.96Å; L267-V331 HydrophobicContact CD2-CG2 4.41Å; L267-M372 HydrophobicContact CD1-SD 4.47Å; L267-M372 HydrophobicContact CD2-SD 4.24Å | ||
| 268 | T | 87.6 | Confident | 88 | Confident | 38 Ų | 38 | 17.5 Ų | 17.5 | 23% | 0.233 | 10% | 0.097 | C | C | . | . | trans | -93.8 | 163.6 | 169.9 | 76.8 | 0 | 0 | 0 | 0 | 110.5 | E270 N271 L272 | T268-E270 WeakPolarHBondContact CB-OE2 3.21Å; T268-E270 PolarHBondContact O-N 3.24Å; T268-E270 PolarHBondContact OG1-N 3.42Å; T268-E270 PolarHBondContact OG1-OE2 3.38Å; T268-N271 PolarHBondContact O-N 3.37Å; T268-N271 VanDerWaalsContact O-N 3.15Å; T268-N271 PolarHBondContact OG1-N 3.21Å; T268-L272 PolarHBondContact O-N 3.25Å | ||
| 269 | A | 87 | Confident | 87.6 | Confident | 13 Ų | 13 | 19.3 Ų | 19.3 | 11% | 0.107 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.2 | -33.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F229 W261 N271 L272 L273 L298 | F229-A269 HydrophobicContact CB-CB 4.49Å; F229-A269 HydrophobicContact CD2-CB 4.23Å; W261-A269 HydrophobicContact CH2-CB 4.07Å; A269-N271 VanDerWaalsContact C-N 3.34Å; A269-N271 PolarHBondContact O-N 3.34Å; A269-L272 PolarHBondContact O-N 3.33Å; A269-L273 WeakPolarHBondContact O-CG 3.21Å; A269-L273 PolarHBondContact O-N 2.7Å; A269-L298 HydrophobicContact CB-CD2 3.45Å; A269-L298 VanDerWaalsContact CB-CD2 3.45Å |
| 270 | E | 86.2 | Confident | 87.2 | Confident | 30 Ų | 30 | 16.5 Ų | 16.5 | 14% | 0.14 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.2 | -34.6 | 176.4 | -53.9 | 86.9 | 168.8 | 0 | 0 | 112.6 | T268 L272 L273 Q274 Q299 N304 | T268-E270 WeakPolarHBondContact CB-OE2 3.21Å; T268-E270 PolarHBondContact O-N 3.24Å; T268-E270 PolarHBondContact OG1-N 3.42Å; T268-E270 PolarHBondContact OG1-OE2 3.38Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L273 PolarHBondContact O-N 3.29Å; E270-Q274 PolarHBondContact O-N 3.16Å; E270-Q299 PolarHBondContact OE1-N 3.29Å; E270-N304 WeakPolarHBondContact CB-ND2 3.36Å; E270-N304 PolarHBondContact O-ND2 3.2Å; E270-N304 VanDerWaalsContact O-ND2 3.12Å |
| 271 | N | 87 | Confident | 86.4 | Confident | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.6 | -35.9 | 174.2 | -63.2 | -13.1 | 0 | 0 | 0 | 111 | L267 T268 A269 Q274 F275 F308 H332 | L267-N271 HydrophobicContact CD2-CB 3.87Å; T268-N271 PolarHBondContact O-N 3.37Å; T268-N271 VanDerWaalsContact O-N 3.15Å; T268-N271 PolarHBondContact OG1-N 3.21Å; A269-N271 VanDerWaalsContact C-N 3.34Å; A269-N271 PolarHBondContact O-N 3.34Å; N271-Q274 WeakPolarHBondContact O-CB 3.09Å; N271-Q274 PolarHBondContact O-N 2.83Å; N271-F275 VanDerWaalsContact O-CD2 3.32Å; N271-F275 WeakPolarHBondContact O-CD2 3.35Å; N271-F308 HydrophobicContact CB-CZ 4.35Å; N271-H332 PolarHBondContact ND2-NE2 3.42Å |
| 272 | L | 88.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -70.7 | -37.7 | 175.6 | -63 | 175.5 | 0 | 0 | 0 | 112.5 | F229 L257 L260 W261 L267 T268 A269 E270 Q274 F275 S276 | F229-L272 HydrophobicContact CE2-CB 4.42Å; L257-L272 HydrophobicContact CB-CD2 4.42Å; L257-L272 HydrophobicContact CD2-CB 4.34Å; L257-L272 HydrophobicContact CD2-CD2 4.25Å; L260-L272 HydrophobicContact CD2-CD2 4.24Å; W261-L272 HydrophobicContact CB-CD1 3.98Å; W261-L272 HydrophobicContact CD2-CD1 3.45Å; W261-L272 VanDerWaalsContact CD2-CD1 3.45Å; W261-L272 HydrophobicContact CE3-CD1 3.28Å; W261-L272 HydrophobicContact CG-CD1 3.81Å; W261-L272 HydrophobicContact CH2-CD1 4.4Å; W261-L272 HydrophobicContact CZ3-CD1 3.8Å; L267-L272 HydrophobicContact CD1-CD2 4.1Å; T268-L272 PolarHBondContact O-N 3.25Å; A269-L272 PolarHBondContact O-N 3.33Å; E270-L272 VanDerWaalsContact C-N 3.33Å; L272-Q274 VanDerWaalsContact C-N 3.26Å; L272-Q274 PolarHBondContact O-N 3.49Å; L272-F275 PolarHBondContact O-N 2.9Å; L272-S276 PolarHBondContact O-N 3.44Å; L272-S276 PolarHBondContact O-OG 3.27Å |
| 273 | L | 88.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.7 | -30.8 | 175.9 | -72.2 | 178.3 | 0 | 0 | 0 | 112.4 | F229 F232 F249 A269 E270 F275 S276 Y277 L298 | F229-L273 HydrophobicContact CE2-CD2 3.89Å; F229-L273 HydrophobicContact CE2-CG 4.31Å; F232-L273 HydrophobicContact CD1-CD1 4.13Å; F232-L273 HydrophobicContact CD1-CD2 3.92Å; F232-L273 HydrophobicContact CE1-CD1 3.67Å; F232-L273 HydrophobicContact CE1-CD2 3.46Å; F232-L273 VanDerWaalsContact CE1-CD2 3.46Å; F232-L273 HydrophobicContact CE1-CG 4.23Å; F232-L273 HydrophobicContact CZ-CD1 4.06Å; F232-L273 HydrophobicContact CZ-CD2 4.45Å; F249-L273 HydrophobicContact CE2-CD2 3.79Å; A269-L273 WeakPolarHBondContact O-CG 3.21Å; A269-L273 PolarHBondContact O-N 2.7Å; E270-L273 PolarHBondContact O-N 3.29Å; L273-F275 PolarHBondContact O-N 3.19Å; L273-S276 PolarHBondContact O-N 2.74Å; L273-Y277 CarbonylContact O-C 3.15Å; L273-Y277 WeakPolarHBondContact O-CA 3.3Å; L273-Y277 PolarHBondContact O-N 2.67Å; L273-L298 HydrophobicContact CD1-CD1 3.93Å |
| 274 | Q | 86.4 | Confident | 83.4 | Confident | 7 Ų | 7 | 22.1 Ų | 22.1 | 3% | 0.033 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.3 | -37.7 | 174 | -177 | -179 | -9.4 | 0 | 0 | 112.2 | E270 N271 L272 S281 | E270-Q274 PolarHBondContact O-N 3.16Å; N271-Q274 WeakPolarHBondContact O-CB 3.09Å; N271-Q274 PolarHBondContact O-N 2.83Å; L272-Q274 VanDerWaalsContact C-N 3.26Å; L272-Q274 PolarHBondContact O-N 3.49Å; Q274-S281 WeakPolarHBondContact CA-OG 3.25Å |
| 275 | F | 90.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -77.2 | -31.7 | -178.9 | -63.9 | -60.7 | 0 | 0 | 0 | 113.9 | L257 L260 N271 L272 L273 F308 A369 M372 A373 L540 F541 V542 | L257-F275 HydrophobicContact CD2-CB 4.1Å; L260-F275 HydrophobicContact CD2-CD2 4.31Å; L260-F275 HydrophobicContact CD2-CE2 4.04Å; N271-F275 VanDerWaalsContact O-CD2 3.32Å; N271-F275 WeakPolarHBondContact O-CD2 3.35Å; L272-F275 PolarHBondContact O-N 2.9Å; L273-F275 PolarHBondContact O-N 3.19Å; F275-F308 HydrophobicContact CE2-CZ 4.28Å; F275-F308 HydrophobicContact CZ-CE1 4.35Å; F275-F308 AromaticContact CZ-CZ 3.98Å; F275-F308 HydrophobicContact CZ-CZ 3.98Å; F275-A369 HydrophobicContact CE1-CB 4.19Å; F275-A369 WeakPolarHBondContact CE1-O 3.19Å; F275-A369 HydrophobicContact CZ-CB 4.37Å; F275-M372 HydrophobicContact CZ-CB 3.99Å; F275-A373 HydrophobicContact CD1-CB 4.17Å; F275-A373 HydrophobicContact CE1-CB 4.18Å; F275-L540 HydrophobicContact CB-CB 4.48Å; F275-L540 HydrophobicContact CB-CD2 4.28Å; F275-L540 CarbonylContact O-C 3.41Å; F275-L540 WeakPolarHBondContact O-CA 3.33Å; F275-F541 WeakPolarHBondContact CA-O 3.31Å; F275-F541 PolarHBondContact O-N 2.99Å; F275-V542 HydrophobicContact CD1-CG2 4.29Å; F275-V542 HydrophobicContact CE1-CG2 4.15Å |
| 276 | S | 89 | Confident | 82.1 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -109.5 | -25.2 | -172.2 | 48.1 | 0 | 0 | 0 | 0 | 114.1 | F249 P250 L257 L272 L273 | F249-S276 WeakPolarHBondContact CE2-OG 3.3Å; F249-S276 WeakPolarHBondContact CZ-OG 3.49Å; P250-S276 VanDerWaalsContact CG-O 3.31Å; P250-S276 WeakPolarHBondContact CG-O 2.78Å; L257-S276 WeakPolarHBondContact CD1-OG 3.45Å; L272-S276 PolarHBondContact O-N 3.44Å; L272-S276 PolarHBondContact O-OG 3.27Å; L273-S276 PolarHBondContact O-N 2.74Å |
| 277 | Y | 89.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -143.4 | 67.4 | -172.6 | -154.8 | -99.7 | 0 | 0 | 0 | 110.7 | I236 P247 F249 L273 L279 A280 L289 L536 | I236-Y277 HydrophobicContact CD1-CD1 4.29Å; I236-Y277 HydrophobicContact CD1-CE1 3.97Å; P247-Y277 WeakPolarHBondContact CD-OH 3.48Å; P247-Y277 HydrophobicContact CG-CE2 4.1Å; P247-Y277 WeakPolarHBondContact O-CE2 3.49Å; P247-Y277 PolarHBondContact O-OH 2.76Å; F249-Y277 HydrophobicContact CD2-CD2 4.07Å; F249-Y277 HydrophobicContact CD2-CG 4.22Å; L273-Y277 CarbonylContact O-C 3.15Å; L273-Y277 WeakPolarHBondContact O-CA 3.3Å; L273-Y277 PolarHBondContact O-N 2.67Å; Y277-L279 HydrophobicContact CD1-CB 4.25Å; Y277-L279 HydrophobicContact CE1-CB 3.92Å; Y277-L279 PolarHBondContact O-N 2.79Å; Y277-A280 HydrophobicContact CD1-CB 3.89Å; Y277-A280 PolarHBondContact O-N 2.87Å; Y277-L289 HydrophobicContact CE1-CD1 4.03Å; Y277-L289 HydrophobicContact CE1-CD2 3.95Å; Y277-L536 HydrophobicContact CD2-CD1 3.81Å; Y277-L536 HydrophobicContact CE2-CD1 3.68Å | ||
| 278 | P | 85 | Confident | 81.5 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.6 | -172.8 | 26.4 | -37.2 | 0 | 0 | 0 | 113.9 | A280 S281 S282 L382 L531 L536 F541 | P278-A280 VanDerWaalsContact C-N 3.29Å; P278-A280 PolarHBondContact O-N 3.22Å; P278-S281 PolarHBondContact O-N 3.3Å; P278-S282 PolarHBondContact O-N 2.89Å; P278-L382 HydrophobicContact CB-CD1 3.71Å; P278-L382 HydrophobicContact CG-CD1 3.66Å; P278-L531 HydrophobicContact CG-CD1 4.31Å; P278-L536 HydrophobicContact CG-CD2 4.37Å; P278-F541 HydrophobicContact CB-CB 4.05Å; P278-F541 HydrophobicContact CB-CG 4.48Å; P278-F541 HydrophobicContact CG-CB 3.81Å; P278-F541 HydrophobicContact CG-CD1 4.33Å; P278-F541 HydrophobicContact CG-CD2 3.83Å; P278-F541 HydrophobicContact CG-CG 3.71Å |
| 279 | L | 81.2 | Confident | 81.2 | Confident | 37 Ų | 37 | 29 Ų | 29 | 19% | 0.194 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -36.9 | 174.9 | -131.3 | 91.2 | 0 | 0 | 0 | 112.2 | Y277 S282 A285 L289 L531 | Y277-L279 HydrophobicContact CD1-CB 4.25Å; Y277-L279 HydrophobicContact CE1-CB 3.92Å; Y277-L279 PolarHBondContact O-N 2.79Å; L279-S282 PolarHBondContact O-N 3.46Å; L279-A285 VanDerWaalsContact O-CB 3.28Å; L279-A285 WeakPolarHBondContact O-CB 3.45Å; L279-L289 HydrophobicContact CB-CD2 4.17Å; L279-L289 HydrophobicContact CD2-CD2 4.16Å; L279-L531 HydrophobicContact CD1-CD1 3.99Å |
| 280 | A | 79.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -28.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y277 P278 S282 L289 C300 G301 | Y277-A280 HydrophobicContact CD1-CB 3.89Å; Y277-A280 PolarHBondContact O-N 2.87Å; P278-A280 VanDerWaalsContact C-N 3.29Å; P278-A280 PolarHBondContact O-N 3.22Å; A280-S282 VanDerWaalsContact C-N 3.32Å; A280-L289 HydrophobicContact CB-CD2 4.22Å; A280-C300 WeakPolarHBondContact O-CB 3.23Å; A280-G301 PolarHBondContact O-N 3.31Å; A280-G301 VanDerWaalsContact O-N 3.13Å |
| 281 | S | 73 | Confident | 81.1 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -4.6 | 178.5 | -52.7 | 0 | 0 | 0 | 0 | 113.3 | Q274 P278 | Q274-S281 WeakPolarHBondContact CA-OG 3.25Å; P278-S281 PolarHBondContact O-N 3.3Å |
| 282 | S | 70.8 | Confident | 81 | Confident | 17 Ų | 17 | 34.4 Ų | 34.4 | 12% | 0.119 | 19% | 0.188 | C | C | . | . | trans | -73.2 | 142.2 | -179.7 | -165.2 | 0 | 0 | 0 | 0 | 112 | P278 L279 A280 D284 A285 R543 | P278-S282 PolarHBondContact O-N 2.89Å; L279-S282 PolarHBondContact O-N 3.46Å; A280-S282 VanDerWaalsContact C-N 3.32Å; S282-D284 PolarHBondContact O-N 3.42Å; S282-D284 PolarHBondContact OG-N 3.24Å; S282-A285 VanDerWaalsContact O-CB 3.27Å; S282-A285 WeakPolarHBondContact O-CB 3.35Å; S282-A285 PolarHBondContact O-N 3.26Å; S282-R543 VanDerWaalsContact CB-NH1 3.34Å; S282-R543 PolarHBondContact OG-NH1 3.38Å | ||
| 283 | S | 67.1 | Low | 80.9 | Confident | 80 Ų | 80 | 34.4 Ų | 34.4 | 56% | 0.559 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.9 | 166.7 | 54.7 | 0 | 0 | 0 | 0 | 112 | A285 | S283-A285 VanDerWaalsContact C-N 3.29Š|
| 284 | D | 65.9 | Low | 80.8 | Confident | 133 Ų | 133 | 40.8 Ų | 40.8 | 71% | 0.711 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98 | 21.4 | -175.5 | -47.8 | -25.7 | 0 | 0 | 0 | 110.9 | S282 | S282-D284 PolarHBondContact O-N 3.42Å; S282-D284 PolarHBondContact OG-N 3.24Å |
| 285 | A | 72.3 | Confident | 80.8 | Confident | 10 Ų | 10 | 44 Ų | 44 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | trans | -60.4 | 135.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L279 S282 S283 R287 L290 | L279-A285 VanDerWaalsContact O-CB 3.28Å; L279-A285 WeakPolarHBondContact O-CB 3.45Å; S282-A285 VanDerWaalsContact O-CB 3.27Å; S282-A285 WeakPolarHBondContact O-CB 3.35Å; S282-A285 PolarHBondContact O-N 3.26Å; S283-A285 VanDerWaalsContact C-N 3.29Å; A285-R287 PolarHBondContact O-N 2.97Å; A285-L290 HydrophobicContact CB-CD1 4.24Å; A285-L290 HydrophobicContact CB-CD2 3.84Å; A285-L290 HydrophobicContact CB-CG 3.87Å | ||
| 286 | P | 74.9 | Confident | 80.6 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | trans | -54.8 | 134.8 | 177.3 | -26.4 | 34.8 | 0 | 0 | 0 | 111.5 | F246 P288 L289 L290 | F246-P286 HydrophobicContact CE1-CB 3.73Å; F246-P286 HydrophobicContact CE1-CG 3.83Å; F246-P286 HydrophobicContact CZ-CB 4Å; P286-P288 VanDerWaalsContact C-N 3.33Å; P286-L289 HydrophobicContact CB-CB 4.47Å; P286-L289 WeakPolarHBondContact O-CA 3.31Å; P286-L289 WeakPolarHBondContact O-CB 3.39Å; P286-L289 PolarHBondContact O-N 3.43Å; P286-L290 PolarHBondContact O-N 3.29Å; P286-L290 VanDerWaalsContact O-N 3.12Å | ||
| 287 | R | 79.1 | Confident | 80.4 | Confident | 151 Ų | 151 | 51.7 Ų | 51.7 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -51.1 | -42.9 | -179.8 | -67.6 | -176.2 | -175.7 | 151.3 | 8.2 | 114 | A285 L289 L290 D291 S1363 | A285-R287 PolarHBondContact O-N 2.97Å; R287-L289 PolarHBondContact O-N 2.84Å; R287-L290 PolarHBondContact O-N 3.44Å; R287-L290 VanDerWaalsContact O-N 3.11Å; R287-D291 PolarHBondContact O-N 3.3Å; R287-S1363 PolarHBondContact NH1-O 2.86Å |
| 288 | P | 82.6 | Confident | 80.1 | Confident | 63 Ų | 63 | 52 Ų | 52 | 41% | 0.409 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.5 | -32.8 | 178.1 | -19.8 | 31.3 | 0 | 0 | 0 | 113 | L244 F246 P286 L292 | L244-P288 HydrophobicContact CD1-CB 4.15Å; F246-P288 HydrophobicContact CE2-CB 4.17Å; F246-P288 HydrophobicContact CZ-CB 3.97Å; F246-P288 HydrophobicContact CZ-CG 4.44Å; P286-P288 VanDerWaalsContact C-N 3.33Å; P288-L292 WeakPolarHBondContact O-CB 3.35Å; P288-L292 PolarHBondContact O-N 2.85Å |
| 289 | L | 82.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.5 | -43.5 | 174.5 | 179 | 63.7 | 0 | 0 | 0 | 111 | I236 F246 Y277 L279 A280 P286 R287 D291 L292 C293 | I236-L289 HydrophobicContact CD1-CD1 4.11Å; F246-L289 HydrophobicContact CE1-CB 4.3Å; F246-L289 HydrophobicContact CE2-CB 4.12Å; F246-L289 HydrophobicContact CZ-CB 3.89Å; Y277-L289 HydrophobicContact CE1-CD1 4.03Å; Y277-L289 HydrophobicContact CE1-CD2 3.95Å; L279-L289 HydrophobicContact CB-CD2 4.17Å; L279-L289 HydrophobicContact CD2-CD2 4.16Å; A280-L289 HydrophobicContact CB-CD2 4.22Å; P286-L289 HydrophobicContact CB-CB 4.47Å; P286-L289 WeakPolarHBondContact O-CA 3.31Å; P286-L289 WeakPolarHBondContact O-CB 3.39Å; P286-L289 PolarHBondContact O-N 3.43Å; R287-L289 PolarHBondContact O-N 2.84Å; L289-D291 VanDerWaalsContact C-N 3.31Å; L289-D291 PolarHBondContact O-N 3.3Å; L289-L292 WeakPolarHBondContact O-CB 3.25Å; L289-L292 PolarHBondContact O-N 2.9Å; L289-C293 PolarHBondContact O-N 3.36Å; L289-C293 PolarHBondContact O-SG 3.01Å |
| 290 | L | 84 | Confident | 79.6 | Confident | 34 Ų | 34 | 57.4 Ų | 57.4 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 176.4 | -69.3 | 173.7 | 0 | 0 | 0 | 112.2 | A285 P286 R287 C293 K294 C300 | A285-L290 HydrophobicContact CB-CD1 4.24Å; A285-L290 HydrophobicContact CB-CD2 3.84Å; A285-L290 HydrophobicContact CB-CG 3.87Å; P286-L290 PolarHBondContact O-N 3.29Å; P286-L290 VanDerWaalsContact O-N 3.12Å; R287-L290 PolarHBondContact O-N 3.44Å; R287-L290 VanDerWaalsContact O-N 3.11Å; L290-C293 WeakPolarHBondContact O-CB 3.46Å; L290-C293 PolarHBondContact O-N 2.81Å; L290-K294 WeakPolarHBondContact O-CG 3.43Å; L290-K294 PolarHBondContact O-N 3.04Å; L290-C300 HydrophobicContact CD2-CB 4.15Å |
| 291 | D | 85.5 | Confident | 78.9 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.3 | -36.1 | 177.1 | -66.8 | -25.1 | 0 | 0 | 0 | 111.6 | R287 L289 K294 A295 | R287-D291 PolarHBondContact O-N 3.3Å; L289-D291 VanDerWaalsContact C-N 3.31Å; L289-D291 PolarHBondContact O-N 3.3Å; D291-K294 PolarHBondContact O-N 2.95Å; D291-K294 IonicContact OD1-NZ 3.52Å; D291-K294 PolarHBondContact OD1-NZ 2.88Å; D291-A295 PolarHBondContact O-N 3.13Å |
| 292 | L | 84.8 | Confident | 78.5 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 23% | 0.225 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 169 | -171.3 | 69.6 | 0 | 0 | 0 | 111.3 | F232 A235 I236 P288 L289 K294 A295 F296 | F232-L292 HydrophobicContact CE2-CD2 4.34Å; F232-L292 HydrophobicContact CE2-CG 4.42Å; A235-L292 HydrophobicContact CB-CD1 4.2Å; I236-L292 HydrophobicContact CG1-CD2 3.66Å; P288-L292 WeakPolarHBondContact O-CB 3.35Å; P288-L292 PolarHBondContact O-N 2.85Å; L289-L292 WeakPolarHBondContact O-CB 3.25Å; L289-L292 PolarHBondContact O-N 2.9Å; L292-K294 PolarHBondContact O-N 3.5Å; L292-A295 WeakPolarHBondContact O-CB 3.39Å; L292-A295 PolarHBondContact O-N 3.43Å; L292-F296 HydrophobicContact CD1-CD2 4.47Å; L292-F296 HydrophobicContact CD1-CE2 3.83Å; L292-F296 HydrophobicContact CG-CD2 4.48Å; L292-F296 HydrophobicContact CG-CE2 4.25Å; L292-F296 VanDerWaalsContact O-CD2 3.24Å; L292-F296 WeakPolarHBondContact O-CD2 3.22Å; L292-F296 PolarHBondContact O-N 2.62Å |
| 293 | C | 86 | Confident | 78 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | 175.4 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | F232 L289 L290 A295 F296 D297 L298 C300 | F232-C293 HydrophobicContact CE2-CB 4.45Å; F232-C293 WeakPolarHBondContact CE2-SG 3.31Å; L289-C293 PolarHBondContact O-N 3.36Å; L289-C293 PolarHBondContact O-SG 3.01Å; L290-C293 WeakPolarHBondContact O-CB 3.46Å; L290-C293 PolarHBondContact O-N 2.81Å; C293-A295 VanDerWaalsContact C-N 3.31Å; C293-A295 PolarHBondContact O-N 2.86Å; C293-F296 CarbonylContact O-C 3.49Å; C293-F296 PolarHBondContact O-N 2.76Å; C293-F296 VanDerWaalsContact O-N 3.13Å; C293-D297 PolarHBondContact O-N 3.37Å; C293-L298 CarbonylContact C-O 3.52Å; C293-L298 HydrophobicContact CB-CB 4.09Å; C293-L298 WeakPolarHBondContact O-CB 3.36Å; C293-L298 PolarHBondContact O-N 2.87Å; C293-C300 HydrophobicContact CB-CB 3.65Å; C293-C300 VanDerWaalsContact SG-CB 3.59Å; C293-C300 PolarHBondContact SG-SG 3.26Å |
| 294 | K | 86.8 | Confident | 77.9 | Confident | 133 Ų | 133 | 67 Ų | 67 | 58% | 0.578 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.3 | -37.8 | 176.8 | -70.8 | 171.6 | -161.6 | 155 | 0 | 112.5 | L290 D291 L292 F296 D297 | L290-K294 WeakPolarHBondContact O-CG 3.43Å; L290-K294 PolarHBondContact O-N 3.04Å; D291-K294 PolarHBondContact O-N 2.95Å; D291-K294 IonicContact OD1-NZ 3.52Å; D291-K294 PolarHBondContact OD1-NZ 2.88Å; L292-K294 PolarHBondContact O-N 3.5Å; K294-F296 PolarHBondContact O-N 3.32Å; K294-F296 VanDerWaalsContact O-N 3.16Å; K294-D297 PolarHBondContact O-N 2.73Å |
| 295 | A | 87.1 | Confident | 78.5 | Confident | 76 Ų | 76 | 61 Ų | 61 | 63% | 0.628 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.8 | -22.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | D291 L292 C293 | D291-A295 PolarHBondContact O-N 3.13Å; L292-A295 WeakPolarHBondContact O-CB 3.39Å; L292-A295 PolarHBondContact O-N 3.43Å; C293-A295 VanDerWaalsContact C-N 3.31Å; C293-A295 PolarHBondContact O-N 2.86Å |
| 296 | F | 85 | Confident | 78.6 | Confident | 52 Ų | 52 | 65 Ų | 65 | 23% | 0.228 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 19.2 | 175.5 | -65.1 | -71.8 | 0 | 0 | 0 | 113.6 | A231 F232 A235 L292 C293 K294 L298 | A231-F296 HydrophobicContact CB-CD1 3.89Å; A231-F296 HydrophobicContact CB-CE1 3.64Å; F232-F296 HydrophobicContact CB-CB 4.28Å; F232-F296 HydrophobicContact CB-CD2 4.04Å; F232-F296 HydrophobicContact CB-CG 4.12Å; F232-F296 AromaticContact CD2-CD2 3.95Å; F232-F296 HydrophobicContact CD2-CD2 3.95Å; A235-F296 HydrophobicContact CB-CE2 3.46Å; A235-F296 VanDerWaalsContact CB-CE2 3.46Å; A235-F296 HydrophobicContact CB-CZ 3.56Å; L292-F296 HydrophobicContact CD1-CD2 4.47Å; L292-F296 HydrophobicContact CD1-CE2 3.83Å; L292-F296 HydrophobicContact CG-CD2 4.48Å; L292-F296 HydrophobicContact CG-CE2 4.25Å; L292-F296 VanDerWaalsContact O-CD2 3.24Å; L292-F296 WeakPolarHBondContact O-CD2 3.22Å; L292-F296 PolarHBondContact O-N 2.62Å; C293-F296 CarbonylContact O-C 3.49Å; C293-F296 PolarHBondContact O-N 2.76Å; C293-F296 VanDerWaalsContact O-N 3.13Å; K294-F296 PolarHBondContact O-N 3.32Å; K294-F296 VanDerWaalsContact O-N 3.16Å; F296-L298 HydrophobicContact CB-CD1 4.16Å; F296-L298 HydrophobicContact CB-CG 4.3Å; F296-L298 PolarHBondContact O-N 2.85Å |
| 297 | D | 84.5 | Confident | 78.8 | Confident | 108 Ų | 108 | 63.2 Ų | 63.2 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 29.4 | -177.1 | -68.1 | -27.6 | 0 | 0 | 0 | 114.4 | R228 C293 K294 | R228-D297 IonicContact CZ-OD2 3.64Å; R228-D297 IonicContact NH1-OD2 3.55Å; R228-D297 PolarHBondContact NH1-OD2 2.81Å; C293-D297 PolarHBondContact O-N 3.37Å; K294-D297 PolarHBondContact O-N 2.73Å |
| 298 | L | 83.3 | Confident | 79.3 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | trans | -96.6 | 120.9 | 177.6 | -59.5 | 167.6 | 0 | 0 | 0 | 110.2 | F232 A269 L273 C293 F296 C300 | F232-L298 HydrophobicContact CB-CD1 3.76Å; F232-L298 HydrophobicContact CD1-CD1 4.04Å; F232-L298 HydrophobicContact CD2-CD1 3.59Å; F232-L298 HydrophobicContact CE2-CD1 4.12Å; F232-L298 HydrophobicContact CG-CD1 3.51Å; A269-L298 HydrophobicContact CB-CD2 3.45Å; A269-L298 VanDerWaalsContact CB-CD2 3.45Å; L273-L298 HydrophobicContact CD1-CD1 3.93Å; C293-L298 CarbonylContact C-O 3.52Å; C293-L298 HydrophobicContact CB-CB 4.09Å; C293-L298 WeakPolarHBondContact O-CB 3.36Å; C293-L298 PolarHBondContact O-N 2.87Å; F296-L298 HydrophobicContact CB-CD1 4.16Å; F296-L298 HydrophobicContact CB-CG 4.3Å; F296-L298 PolarHBondContact O-N 2.85Å; L298-C300 VanDerWaalsContact C-N 3.26Å; L298-C300 PolarHBondContact O-N 3.46Å | ||
| 299 | Q | 77.7 | Confident | 79.5 | Confident | 137 Ų | 137 | 55.2 Ų | 55.2 | 64% | 0.64 | 30% | 0.296 | S | S | * | . | trans | -83.5 | 66.4 | 178.8 | -64.3 | -167 | 11.9 | 0 | 0 | 112.1 | E270 | E270-Q299 PolarHBondContact OE1-N 3.29Š| ||
| 300 | C | 78.3 | Confident | 79.6 | Confident | 21 Ų | 21 | 58 Ų | 58 | 14% | 0.142 | 31% | 0.314 | C | S | . | . | trans | -78.3 | 165.3 | 178.2 | -68.3 | 0 | 0 | 0 | 0 | 112.7 | A280 L290 C293 L298 | A280-C300 WeakPolarHBondContact O-CB 3.23Å; L290-C300 HydrophobicContact CD2-CB 4.15Å; C293-C300 HydrophobicContact CB-CB 3.65Å; C293-C300 VanDerWaalsContact SG-CB 3.59Å; C293-C300 PolarHBondContact SG-SG 3.26Å; L298-C300 VanDerWaalsContact C-N 3.26Å; L298-C300 PolarHBondContact O-N 3.46Å | ||
| 301 | G | 66 | Low | 79.7 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 26% | 0.258 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 86.4 | 13.3 | -179 | 0 | 0 | 0 | 0 | 0 | 116.3 | A280 | A280-G301 PolarHBondContact O-N 3.31Å; A280-G301 VanDerWaalsContact O-N 3.13Å |
| 302 | K | 65.1 | Low | 79.7 | Confident | 135 Ų | 135 | 59.9 Ų | 59.9 | 59% | 0.587 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -121 | 154 | 173.7 | -68.4 | -178.6 | -177.3 | 172.7 | 0 | 111.4 | N304 | K302-N304 PolarHBondContact O-N 2.87Å; K302-N304 VanDerWaalsContact O-N 3.17Å; K302-N304 PolarHBondContact O-OD1 2.91Å |
| 303 | Q | 60.2 | Low | 79.7 | Confident | 128 Ų | 128 | 63 Ų | 63 | 60% | 0.598 | 33% | 0.331 | S | S | * | . | trans | -68.1 | 105.9 | 177.6 | -71.6 | 179.5 | -37.1 | 0 | 0 | 111.1 | S306 D545 | Q303-S306 PolarHBondContact O-OG 2.9Å; Q303-D545 PolarHBondContact NE2-OD2 3.03Å | ||
| 304 | N | 64.8 | Low | 79.7 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -87.5 | -5.6 | -174.3 | -73.9 | -8 | 0 | 0 | 0 | 114.9 | E270 K302 S306 A307 | E270-N304 WeakPolarHBondContact CB-ND2 3.36Å; E270-N304 PolarHBondContact O-ND2 3.2Å; E270-N304 VanDerWaalsContact O-ND2 3.12Å; K302-N304 PolarHBondContact O-N 2.87Å; K302-N304 VanDerWaalsContact O-N 3.17Å; K302-N304 PolarHBondContact O-OD1 2.91Å; N304-S306 PolarHBondContact O-N 3.31Å; N304-S306 VanDerWaalsContact O-N 3.1Å; N304-A307 WeakPolarHBondContact O-CB 3.43Å; N304-A307 PolarHBondContact O-N 3.03Å; N304-A307 VanDerWaalsContact O-N 3.09Å |
| 305 | L | 76.8 | Confident | 79.6 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -61.1 | -24.3 | 177.6 | -77 | 179.9 | 0 | 0 | 0 | 113.2 | A307 F308 Q365 A366 A369 R543 | L305-A307 PolarHBondContact O-N 2.76Å; L305-A307 VanDerWaalsContact O-N 3.12Å; L305-F308 HydrophobicContact CD2-CD2 4.02Å; L305-F308 HydrophobicContact CD2-CE2 4.23Å; L305-F308 WeakPolarHBondContact O-CD2 3.34Å; L305-F308 PolarHBondContact O-N 2.91Å; L305-Q365 HydrophobicContact CB-CB 4.41Å; L305-A366 HydrophobicContact CD1-CB 4.48Å; L305-A369 HydrophobicContact CD2-CB 3.78Å; L305-R543 VanDerWaalsContact CD1-O 3.3Å; L305-R543 WeakPolarHBondContact CD1-O 3.25Å |
| 306 | S | 75.3 | Confident | 79.4 | Confident | 93 Ų | 93 | 60.5 Ų | 60.5 | 65% | 0.65 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -60 | -19.6 | 176.3 | 61.1 | 0 | 0 | 0 | 0 | 114.4 | Q303 N304 F308 | Q303-S306 PolarHBondContact O-OG 2.9Å; N304-S306 PolarHBondContact O-N 3.31Å; N304-S306 VanDerWaalsContact O-N 3.1Å; S306-F308 VanDerWaalsContact C-N 3.3Å |
| 307 | A | 80 | Confident | 79.2 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -70.4 | -25.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N304 L305 V331 H332 | N304-A307 WeakPolarHBondContact O-CB 3.43Å; N304-A307 PolarHBondContact O-N 3.03Å; N304-A307 VanDerWaalsContact O-N 3.09Å; L305-A307 PolarHBondContact O-N 2.76Å; L305-A307 VanDerWaalsContact O-N 3.12Å; A307-V331 WeakPolarHBondContact O-CA 3.33Å; A307-H332 WeakPolarHBondContact CB-CE1 3.22Å; A307-H332 WeakPolarHBondContact CB-NE2 3.47Å; A307-H332 PolarHBondContact O-N 3.21Å |
| 308 | F | 87.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -91 | 146.8 | -177.3 | -53 | -75.4 | 0 | 0 | 0 | 110.4 | L267 N271 F275 L305 S306 V331 Q365 T368 A369 M372 | L267-F308 HydrophobicContact CD2-CE1 3.92Å; L267-F308 HydrophobicContact CD2-CZ 4.45Å; N271-F308 HydrophobicContact CB-CZ 4.35Å; F275-F308 HydrophobicContact CE2-CZ 4.28Å; F275-F308 HydrophobicContact CZ-CE1 4.35Å; F275-F308 AromaticContact CZ-CZ 3.98Å; F275-F308 HydrophobicContact CZ-CZ 3.98Å; L305-F308 HydrophobicContact CD2-CD2 4.02Å; L305-F308 HydrophobicContact CD2-CE2 4.23Å; L305-F308 WeakPolarHBondContact O-CD2 3.34Å; L305-F308 PolarHBondContact O-N 2.91Å; S306-F308 VanDerWaalsContact C-N 3.3Å; F308-V331 HydrophobicContact CD1-CG2 3.97Å; F308-V331 HydrophobicContact CE1-CG2 4.4Å; F308-Q365 HydrophobicContact CB-CB 4.48Å; F308-Q365 VanDerWaalsContact O-CG 3.24Å; F308-Q365 WeakPolarHBondContact O-CG 3.32Å; F308-Q365 PolarHBondContact O-NE2 3.08Å; F308-T368 HydrophobicContact CB-CG2 3.83Å; F308-T368 HydrophobicContact CD1-CG2 4.1Å; F308-T368 HydrophobicContact CG-CG2 4.31Å; F308-A369 HydrophobicContact CD2-CB 4.2Å; F308-A369 HydrophobicContact CE2-CB 4.2Å; F308-M372 HydrophobicContact CD1-CE 4.4Å; F308-M372 HydrophobicContact CD1-SD 4.04Å; F308-M372 HydrophobicContact CE1-CE 4.5Å; F308-M372 HydrophobicContact CE1-SD 3.66Å |
| 309 | E | 87.2 | Confident | 78.1 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | trans | -113.4 | 161.5 | 174.6 | -74.9 | 168.5 | -141.7 | 0 | 0 | 111 | S330 N333 T368 | E309-S330 WeakPolarHBondContact CB-OG 3.49Å; E309-S330 PolarHBondContact N-O 3.04Å; E309-S330 VanDerWaalsContact N-O 3.1Å; E309-S330 WeakPolarHBondContact OE2-CB 3.28Å; E309-S330 PolarHBondContact OE2-OG 3.01Å; E309-N333 WeakPolarHBondContact OE1-CA 3.36Å; E309-N333 PolarHBondContact OE1-N 3.36Å; E309-N333 PolarHBondContact OE1-OD1 3.15Å; E309-N333 VanDerWaalsContact OE1-OD1 3.06Å; E309-T368 WeakPolarHBondContact O-CB 2.88Å; E309-T368 PolarHBondContact O-OG1 2.81Å | ||
| 310 | P | 86.3 | Confident | 77.6 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 38% | 0.383 | 34% | 0.339 | S | S | . | . | trans | -55.1 | 144.2 | 174.7 | -25.2 | 34.5 | 0 | 0 | 0 | 113 | K312 E364 | P310-K312 PolarHBondContact O-N 2.83Å; P310-E364 HydrophobicContact CB-CB 3.8Å; P310-E364 HydrophobicContact CB-CG 4.24Å; P310-E364 HydrophobicContact CG-CB 3.83Å; P310-E364 HydrophobicContact CG-CG 4.4Å | ||
| 311 | I | 85.5 | Confident | 77.2 | Confident | 30 Ų | 30 | 62.7 Ų | 62.7 | 15% | 0.154 | 36% | 0.362 | C | S | . | . | trans | -61.5 | 127.6 | 177.8 | -53.2 | -176.8 | 0 | 0 | 0 | 109.6 | I314 V327 L329 L367 T368 T371 | I311-I314 HydrophobicContact CD1-CD1 4.49Å; I311-I314 HydrophobicContact CG2-CD1 4.04Å; I311-I314 HydrophobicContact CG2-CG1 3.7Å; I311-V327 HydrophobicContact CG2-CG1 3.54Å; I311-L329 HydrophobicContact CB-CD2 4.06Å; I311-L329 HydrophobicContact CD1-CD2 4.23Å; I311-L329 HydrophobicContact CG1-CD2 3.6Å; I311-L329 HydrophobicContact CG2-CD2 3.91Å; I311-L367 HydrophobicContact CD1-CB 4.43Å; I311-T368 WeakPolarHBondContact CG1-OG1 3.47Å; I311-T371 WeakPolarHBondContact CD1-OG1 3.45Å | ||
| 312 | K | 85.1 | Confident | 77.6 | Confident | 127 Ų | 127 | 64.3 Ų | 64.3 | 55% | 0.552 | 36% | 0.364 | S | S | * | . | trans | -82.7 | -48.4 | -176.5 | -67 | -178.1 | -178.8 | 174.8 | 0 | 112.3 | P310 Q328 S330 | P310-K312 PolarHBondContact O-N 2.83Å; K312-Q328 HydrophobicContact CB-CB 4.35Å; K312-Q328 PolarHBondContact N-O 3.49Å; K312-S330 VanDerWaalsContact CE-OG 3.29Å; K312-S330 WeakPolarHBondContact CE-OG 3.29Å | ||
| 313 | E | 85.4 | Confident | 78.5 | Confident | 108 Ų | 108 | 59.7 Ų | 59.7 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 142.3 | -175.4 | -166.6 | 177.4 | -174.3 | 0 | 0 | 110.4 | V327 Q328 | E313-V327 WeakPolarHBondContact O-CA 3.48Å; E313-Q328 HydrophobicContact CB-CB 4.43Å; E313-Q328 HydrophobicContact CB-CG 4.41Å; E313-Q328 PolarHBondContact O-N 3.45Å |
| 314 | I | 86.2 | Confident | 79.8 | Confident | 47 Ų | 47 | 56 Ų | 56 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.2 | 172.7 | -58.7 | 174.1 | 0 | 0 | 0 | 107.1 | I311 I316 A325 V327 L399 F400 | I311-I314 HydrophobicContact CD1-CD1 4.49Å; I311-I314 HydrophobicContact CG2-CD1 4.04Å; I311-I314 HydrophobicContact CG2-CG1 3.7Å; I314-I316 HydrophobicContact CG2-CG1 4.19Å; I314-A325 HydrophobicContact CG2-CB 4.12Å; I314-V327 HydrophobicContact CG1-CG1 4.07Å; I314-V327 HydrophobicContact CG1-CG2 4.37Å; I314-V327 HydrophobicContact CG2-CG2 4.46Å; I314-L399 HydrophobicContact CD1-CB 3.96Å; I314-L399 HydrophobicContact CD1-CD1 4.31Å; I314-L399 HydrophobicContact CD1-CD2 4Å; I314-L399 HydrophobicContact CD1-CG 4.3Å; I314-F400 HydrophobicContact CD1-CE1 4.49Å; I314-F400 HydrophobicContact CD1-CZ 4.4Å; I314-F400 HydrophobicContact CG2-CE1 4.4Å |
| 315 | S | 84.7 | Confident | 80.9 | Confident | 52 Ų | 52 | 55 Ų | 55 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 116.5 | 173.6 | 45.8 | 0 | 0 | 0 | 0 | 109.8 | A325 S326 | S315-A325 CarbonylContact O-C 3.59Å; S315-A325 WeakPolarHBondContact O-CA 3.41Å; S315-S326 PolarHBondContact N-O 3.12Å; S315-S326 PolarHBondContact O-N 3.19Å; S315-S326 PolarHBondContact O-OG 3.16Å; S315-S326 PolarHBondContact OG-O 3.08Å; S315-S326 PolarHBondContact OG-OG 3.24Å |
| 316 | I | 83.2 | Confident | 81.5 | Confident | 59 Ų | 59 | 56.7 Ų | 56.7 | 30% | 0.303 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128.3 | -179.6 | -56.7 | 177.4 | 0 | 0 | 0 | 108.6 | I314 R323 T324 A325 A342 N401 | I314-I316 HydrophobicContact CG2-CG1 4.19Å; I316-R323 HydrophobicContact CG2-CB 4.39Å; I316-T324 WeakPolarHBondContact CA-O 3.48Å; I316-A325 HydrophobicContact CG1-CB 3.97Å; I316-A342 HydrophobicContact CD1-CB 4.43Å; I316-A342 HydrophobicContact CG2-CB 3.9Å; I316-N401 HydrophobicContact CD1-CB 4.23Å |
| 317 | S | 80.5 | Confident | 82.2 | Confident | 69 Ų | 69 | 52.3 Ų | 52.3 | 48% | 0.483 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 159.1 | 179.1 | 67 | 0 | 0 | 0 | 0 | 111.3 | T324 | S317-T324 PolarHBondContact N-O 3.49Å; S317-T324 PolarHBondContact O-N 3.13Å |
| 318 | G | 73.6 | Confident | 82.7 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 49% | 0.485 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 112.3 | 166 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 319 | P | 70.7 | Confident | 82.7 | Confident | 91 Ų | 91 | 55.9 Ų | 55.9 | 59% | 0.591 | 32% | 0.322 | S | S | * | . | trans | -65.8 | 155.4 | 177.2 | 29.7 | -34.1 | 0 | 0 | 0 | 110.7 | D321 D322 R323 | P319-D321 PolarHBondContact O-N 3.3Å; P319-D321 VanDerWaalsContact O-N 3.08Å; P319-D322 HydrophobicContact CG-CB 4.13Å; P319-D322 CarbonylContact O-C 3.57Å; P319-D322 PolarHBondContact O-N 2.88Å; P319-R323 WeakPolarHBondContact O-CG 3.37Å; P319-R323 PolarHBondContact O-N 3.26Å; P319-R323 VanDerWaalsContact O-N 3.16Å | ||
| 320 | A | 67.4 | Low | 82.6 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 41% | 0.405 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -51.4 | -36.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N344 | A320-N344 PolarHBondContact O-OD1 3.02Š|
| 321 | D | 68.6 | Low | 82.5 | Confident | 116 Ų | 116 | 50.9 Ų | 50.9 | 62% | 0.62 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -82.3 | -11.3 | -177.2 | -55.9 | -18.7 | 0 | 0 | 0 | 114 | P319 | P319-D321 PolarHBondContact O-N 3.3Å; P319-D321 VanDerWaalsContact O-N 3.08Å |
| 322 | D | 75.8 | Confident | 82.4 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 31% | 0.31 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -145.7 | 47.7 | -176.9 | -159.9 | 36.8 | 0 | 0 | 0 | 112 | P319 R510 | P319-D322 HydrophobicContact CG-CB 4.13Å; P319-D322 CarbonylContact O-C 3.57Å; P319-D322 PolarHBondContact O-N 2.88Å; D322-R510 WeakPolarHBondContact OD1-CD 3.48Å; D322-R510 IonicContact OD1-CZ 2.75Å; D322-R510 IonicContact OD1-NE 3.02Å; D322-R510 IonicContact OD1-NH1 3.3Å; D322-R510 PolarHBondContact OD1-NH1 3.38Å; D322-R510 VanDerWaalsContact OD1-NH1 3.12Å; D322-R510 IonicContact OD2-NH1 3.94Å; D322-R510 PolarHBondContact OD2-NH1 3.28Å |
| 323 | R | 83.1 | Confident | 82.2 | Confident | 38 Ų | 38 | 54 Ų | 54 | 14% | 0.143 | 31% | 0.314 | C | S | . | . | trans | -70.9 | 138.2 | 178.8 | -69.5 | -173.3 | 169.8 | 174.4 | -3.7 | 111.8 | I316 P319 A342 G343 N344 L345 N346 | I316-R323 HydrophobicContact CG2-CB 4.39Å; P319-R323 WeakPolarHBondContact O-CG 3.37Å; P319-R323 PolarHBondContact O-N 3.26Å; P319-R323 VanDerWaalsContact O-N 3.16Å; R323-A342 HydrophobicContact CB-CB 3.95Å; R323-A342 PolarHBondContact O-N 3.07Å; R323-G343 WeakPolarHBondContact CD-O 3.45Å; R323-N344 PolarHBondContact NH1-O 3.3Å; R323-L345 PolarHBondContact NH1-O 3.27Å; R323-N346 PolarHBondContact NH1-OD1 2.91Å; R323-N346 PolarHBondContact NH2-OD1 3.21Å | ||
| 324 | T | 88 | Confident | 82.2 | Confident | 52 Ų | 52 | 53.4 Ų | 53.4 | 32% | 0.319 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 144.8 | 172.9 | 60.7 | 0 | 0 | 0 | 0 | 110.2 | I316 S317 V340 | I316-T324 WeakPolarHBondContact CA-O 3.48Å; S317-T324 PolarHBondContact N-O 3.49Å; S317-T324 PolarHBondContact O-N 3.13Å; T324-V340 CarbonylContact C-O 3.53Å; T324-V340 VanDerWaalsContact CA-O 3.24Å; T324-V340 WeakPolarHBondContact CA-O 3.3Å; T324-V340 WeakPolarHBondContact CB-O 3.45Å |
| 325 | A | 87.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109 | I314 S315 I316 V327 T339 V340 A342 F400 | I314-A325 HydrophobicContact CG2-CB 4.12Å; S315-A325 CarbonylContact O-C 3.59Å; S315-A325 WeakPolarHBondContact O-CA 3.41Å; I316-A325 HydrophobicContact CG1-CB 3.97Å; A325-V327 HydrophobicContact CB-CG2 4.32Å; A325-T339 WeakPolarHBondContact O-CA 3.46Å; A325-V340 HydrophobicContact CB-CG2 3.89Å; A325-V340 PolarHBondContact N-O 3.44Å; A325-V340 PolarHBondContact O-N 3.31Å; A325-A342 HydrophobicContact CB-CB 4.31Å; A325-F400 HydrophobicContact CB-CD1 3.86Å; A325-F400 HydrophobicContact CB-CE1 3.98Å |
| 326 | S | 89.5 | Confident | 82.3 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 32% | 0.315 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.2 | 162.8 | 34 | 0 | 0 | 0 | 0 | 109 | S315 | S315-S326 PolarHBondContact N-O 3.12Å; S315-S326 PolarHBondContact O-N 3.19Å; S315-S326 PolarHBondContact O-OG 3.16Å; S315-S326 PolarHBondContact OG-O 3.08Å; S315-S326 PolarHBondContact OG-OG 3.24Å |
| 327 | V | 90.3 | Very high | 82.6 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.5 | -176.4 | -169.8 | 0 | 0 | 0 | 0 | 109.5 | I311 E313 I314 A325 L329 N337 L338 V340 T371 F400 | I311-V327 HydrophobicContact CG2-CG1 3.54Å; E313-V327 WeakPolarHBondContact O-CA 3.48Å; I314-V327 HydrophobicContact CG1-CG1 4.07Å; I314-V327 HydrophobicContact CG1-CG2 4.37Å; I314-V327 HydrophobicContact CG2-CG2 4.46Å; A325-V327 HydrophobicContact CB-CG2 4.32Å; V327-L329 HydrophobicContact CB-CG 4.47Å; V327-L329 HydrophobicContact CG1-CD1 4.37Å; V327-L329 HydrophobicContact CG1-CD2 3.45Å; V327-L329 VanDerWaalsContact CG1-CD2 3.45Å; V327-L329 HydrophobicContact CG1-CG 3.76Å; V327-N337 WeakPolarHBondContact O-CA 3.26Å; V327-L338 PolarHBondContact N-O 3.41Å; V327-L338 PolarHBondContact O-N 3.48Å; V327-V340 HydrophobicContact CG2-CG2 3.92Å; V327-T371 HydrophobicContact CB-CG2 4.4Å; V327-T371 HydrophobicContact CG1-CG2 4.2Å; V327-T371 HydrophobicContact CG2-CG2 4.18Å; V327-F400 HydrophobicContact CG2-CE1 3.67Å; V327-F400 HydrophobicContact CG2-CZ 4.07Å |
| 328 | Q | 88.9 | Confident | 83 | Confident | 79 Ų | 79 | 53 Ų | 53 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119 | 171.9 | -56.3 | -167 | 5.8 | 0 | 0 | 109.8 | K312 E313 N337 | K312-Q328 HydrophobicContact CB-CB 4.35Å; K312-Q328 PolarHBondContact N-O 3.49Å; E313-Q328 HydrophobicContact CB-CB 4.43Å; E313-Q328 HydrophobicContact CB-CG 4.41Å; E313-Q328 PolarHBondContact O-N 3.45Å; Q328-N337 WeakPolarHBondContact CG-OD1 3.23Å |
| 329 | L | 89.7 | Confident | 83.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 160.8 | -176.3 | -53.6 | 168.2 | 0 | 0 | 0 | 109.6 | I311 V327 S335 C336 L338 T368 T371 M372 | I311-L329 HydrophobicContact CB-CD2 4.06Å; I311-L329 HydrophobicContact CD1-CD2 4.23Å; I311-L329 HydrophobicContact CG1-CD2 3.6Å; I311-L329 HydrophobicContact CG2-CD2 3.91Å; V327-L329 HydrophobicContact CB-CG 4.47Å; V327-L329 HydrophobicContact CG1-CD1 4.37Å; V327-L329 HydrophobicContact CG1-CD2 3.45Å; V327-L329 VanDerWaalsContact CG1-CD2 3.45Å; V327-L329 HydrophobicContact CG1-CG 3.76Å; L329-S335 CarbonylContact O-C 3.53Å; L329-S335 VanDerWaalsContact O-CA 3.32Å; L329-S335 WeakPolarHBondContact O-CA 3.32Å; L329-C336 PolarHBondContact N-O 2.88Å; L329-C336 PolarHBondContact O-N 3.38Å; L329-C336 VanDerWaalsContact O-O 3.08Å; L329-L338 HydrophobicContact CD1-CB 4.5Å; L329-L338 HydrophobicContact CD1-CD1 3.54Å; L329-L338 HydrophobicContact CD1-CG 4.09Å; L329-T368 HydrophobicContact CB-CG2 4.47Å; L329-T368 HydrophobicContact CD2-CG2 4.05Å; L329-T371 HydrophobicContact CD1-CG2 4.28Å; L329-M372 HydrophobicContact CB-CE 4.5Å; L329-M372 HydrophobicContact CD1-CE 3.97Å; L329-M372 HydrophobicContact CD1-CG 4.2Å |
| 330 | S | 84.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.6 | 166.1 | 31.1 | 0 | 0 | 0 | 0 | 111.9 | E309 K312 N334 | E309-S330 WeakPolarHBondContact CB-OG 3.49Å; E309-S330 PolarHBondContact N-O 3.04Å; E309-S330 VanDerWaalsContact N-O 3.1Å; E309-S330 WeakPolarHBondContact OE2-CB 3.28Å; E309-S330 PolarHBondContact OE2-OG 3.01Å; K312-S330 VanDerWaalsContact CE-OG 3.29Å; K312-S330 WeakPolarHBondContact CE-OG 3.29Å; S330-N334 VanDerWaalsContact CA-O 3.29Å; S330-N334 WeakPolarHBondContact CA-O 3.39Å |
| 331 | V | 83.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123 | 175.1 | 177.7 | 0 | 0 | 0 | 0 | 107.7 | L267 A307 F308 N333 N334 M372 | L267-V331 HydrophobicContact CD2-CG1 3.96Å; L267-V331 HydrophobicContact CD2-CG2 4.41Å; A307-V331 WeakPolarHBondContact O-CA 3.33Å; F308-V331 HydrophobicContact CD1-CG2 3.97Å; F308-V331 HydrophobicContact CE1-CG2 4.4Å; V331-N333 VanDerWaalsContact C-N 3.29Å; V331-N333 PolarHBondContact O-N 3.39Å; V331-N334 PolarHBondContact N-O 3.11Å; V331-N334 WeakPolarHBondContact O-CB 3.5Å; V331-N334 PolarHBondContact O-N 3.48Å; V331-M372 HydrophobicContact CG2-CE 3.27Å; V331-M372 HydrophobicContact CG2-SD 4.31Å |
| 332 | H | 82.8 | Confident | 86.6 | Confident | 86 Ų | 86 | 46.3 Ų | 46.3 | 40% | 0.398 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 47.1 | -172.8 | -59.6 | -64.4 | 0 | 0 | 0 | 112.9 | N271 A307 N334 | N271-H332 PolarHBondContact ND2-NE2 3.42Å; A307-H332 WeakPolarHBondContact CB-CE1 3.22Å; A307-H332 WeakPolarHBondContact CB-NE2 3.47Å; A307-H332 PolarHBondContact O-N 3.21Å; H332-N334 PolarHBondContact O-N 2.83Å; H332-N334 VanDerWaalsContact O-N 3.13Å |
| 333 | N | 81.9 | Confident | 87.1 | Confident | 137 Ų | 137 | 43.5 Ų | 43.5 | 73% | 0.733 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | 2.7 | -174.2 | -60.8 | -56 | 0 | 0 | 0 | 116.7 | E309 V331 | E309-N333 WeakPolarHBondContact OE1-CA 3.36Å; E309-N333 PolarHBondContact OE1-N 3.36Å; E309-N333 PolarHBondContact OE1-OD1 3.15Å; E309-N333 VanDerWaalsContact OE1-OD1 3.06Å; V331-N333 VanDerWaalsContact C-N 3.29Å; V331-N333 PolarHBondContact O-N 3.39Å |
| 334 | N | 85 | Confident | 86.9 | Confident | 95 Ų | 95 | 44.3 Ų | 44.3 | 51% | 0.508 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 121.5 | 175.9 | -69 | -38.5 | 0 | 0 | 0 | 110.1 | S330 V331 H332 | S330-N334 VanDerWaalsContact CA-O 3.29Å; S330-N334 WeakPolarHBondContact CA-O 3.39Å; V331-N334 PolarHBondContact N-O 3.11Å; V331-N334 WeakPolarHBondContact O-CB 3.5Å; V331-N334 PolarHBondContact O-N 3.48Å; H332-N334 PolarHBondContact O-N 2.83Å; H332-N334 VanDerWaalsContact O-N 3.13Å |
| 335 | S | 85.6 | Confident | 86.3 | Confident | 94 Ų | 94 | 44.6 Ų | 44.6 | 66% | 0.657 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 135.4 | 177.6 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | L329 | L329-S335 CarbonylContact O-C 3.53Å; L329-S335 VanDerWaalsContact O-CA 3.32Å; L329-S335 WeakPolarHBondContact O-CA 3.32Å |
| 336 | C | 86.9 | Confident | 85.3 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 146.1 | 170.5 | 65.3 | 0 | 0 | 0 | 0 | 109.6 | C264 L329 | C264-C336 HydrophobicContact CB-CB 4.25Å; L329-C336 PolarHBondContact N-O 2.88Å; L329-C336 PolarHBondContact O-N 3.38Å; L329-C336 VanDerWaalsContact O-O 3.08Å |
| 337 | N | 89.7 | Confident | 84 | Confident | 111 Ų | 111 | 51.5 Ų | 51.5 | 59% | 0.594 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.8 | 178 | -69 | -10.1 | 0 | 0 | 0 | 108.4 | V327 Q328 | V327-N337 WeakPolarHBondContact O-CA 3.26Å; Q328-N337 WeakPolarHBondContact CG-OD1 3.23Å |
| 338 | L | 88.7 | Confident | 81.8 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 142.7 | 178 | -62.2 | -178.2 | 0 | 0 | 0 | 109.8 | L260 D263 V327 L329 M372 | L260-L338 HydrophobicContact CD1-CD1 4.41Å; D263-L338 HydrophobicContact CB-CD2 3.89Å; V327-L338 PolarHBondContact N-O 3.41Å; V327-L338 PolarHBondContact O-N 3.48Å; L329-L338 HydrophobicContact CD1-CB 4.5Å; L329-L338 HydrophobicContact CD1-CD1 3.54Å; L329-L338 HydrophobicContact CD1-CG 4.09Å; L338-M372 HydrophobicContact CD1-CE 4.42Å; L338-M372 HydrophobicContact CD1-CG 3.92Å |
| 339 | T | 89.4 | Confident | 79.5 | Confident | 88 Ų | 88 | 60.2 Ų | 60.2 | 54% | 0.54 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 112.7 | 171.4 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | A325 R375 | A325-T339 WeakPolarHBondContact O-CA 3.46Å; T339-R375 WeakPolarHBondContact O-CD 3.3Å; T339-R375 PolarHBondContact O-NE 2.97Å |
| 340 | V | 89.8 | Confident | 76.9 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.024 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 162.9 | -179.7 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | T324 A325 V327 T371 R375 F400 | T324-V340 CarbonylContact C-O 3.53Å; T324-V340 VanDerWaalsContact CA-O 3.24Å; T324-V340 WeakPolarHBondContact CA-O 3.3Å; T324-V340 WeakPolarHBondContact CB-O 3.45Å; A325-V340 HydrophobicContact CB-CG2 3.89Å; A325-V340 PolarHBondContact N-O 3.44Å; A325-V340 PolarHBondContact O-N 3.31Å; V327-V340 HydrophobicContact CG2-CG2 3.92Å; V340-T371 HydrophobicContact CG1-CG2 4.31Å; V340-R375 HydrophobicContact CG1-CB 3.79Å; V340-R375 HydrophobicContact CG1-CG 4.46Å; V340-F400 HydrophobicContact CG2-CD1 3.81Å; V340-F400 HydrophobicContact CG2-CE1 3.37Å; V340-F400 HydrophobicContact CG2-CZ 4.09Å |
| 341 | R | 89.4 | Confident | 74.4 | Confident | 70 Ų | 70 | 74.1 Ų | 74.1 | 26% | 0.264 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 146.5 | 175 | -65.1 | -159.4 | -178.9 | 170.6 | -4.5 | 110.5 | H374 Y402 E484 R510 | R341-H374 PolarHBondContact O-CE1 2.71Å; R341-Y402 VanDerWaalsContact C-OH 3.3Å; R341-Y402 PolarHBondContact O-OH 2.96Å; R341-E484 IonicContact NH2-OE1 3.06Å; R341-R510 WeakPolarHBondContact CD-O 3.33Å; R341-R510 PolarHBondContact NH1-O 3.19Å |
| 342 | A | 88.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 43% | 0.433 | C | S | . | . | trans | -118.1 | 156.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | I316 R323 A325 F400 S511 | I316-A342 HydrophobicContact CD1-CB 4.43Å; I316-A342 HydrophobicContact CG2-CB 3.9Å; R323-A342 HydrophobicContact CB-CB 3.95Å; R323-A342 PolarHBondContact O-N 3.07Å; A325-A342 HydrophobicContact CB-CB 4.31Å; A342-F400 CarbonylContact C-O 3.48Å; A342-F400 WeakPolarHBondContact CA-O 3.37Å; A342-S511 VanDerWaalsContact O-CB 3.22Å; A342-S511 WeakPolarHBondContact O-CB 3.49Å | ||
| 343 | G | 85.6 | Confident | 69.6 | Low | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 44% | 0.443 | C | S | . | . | trans | -79.6 | 176.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R323 F400 N401 | R323-G343 WeakPolarHBondContact CD-O 3.45Å; G343-F400 PolarHBondContact N-O 3.19Å; G343-N401 CarbonylContact C-O 3.08Å; G343-N401 WeakPolarHBondContact CA-O 3.34Å | ||
| 344 | N | 79.5 | Confident | 67.4 | Low | 54 Ų | 54 | 82.1 Ų | 82.1 | 29% | 0.289 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -93.7 | -8.3 | -166.4 | -59.4 | 14 | 0 | 0 | 0 | 113.2 | A320 R323 N401 H509 S511 | A320-N344 PolarHBondContact O-OD1 3.02Å; R323-N344 PolarHBondContact NH1-O 3.3Å; N344-N401 PolarHBondContact N-O 2.91Å; N344-H509 PolarHBondContact ND2-CE1 3.08Å; N344-H509 PolarHBondContact ND2-NE2 3.44Å; N344-H509 PolarHBondContact OD1-CE1 2.83Å; N344-H509 VanDerWaalsContact OD1-CE1 3.27Å; N344-S511 PolarHBondContact OD1-OG 3.38Å |
| 345 | L | 75.2 | Confident | 65.5 | Low | 59 Ų | 59 | 82.7 Ų | 82.7 | 31% | 0.309 | 45% | 0.453 | S | S | . | . | trans | -70.9 | 151 | 179.9 | -84 | 158.9 | 0 | 0 | 0 | 111.4 | R323 Y347 N401 E403 | R323-L345 PolarHBondContact NH1-O 3.27Å; L345-Y347 HydrophobicContact CB-CE2 4.36Å; L345-N401 WeakPolarHBondContact CB-O 3.49Å; L345-N401 PolarHBondContact N-O 2.95Å; L345-N401 VanDerWaalsContact N-O 3.12Å; L345-N401 WeakPolarHBondContact O-CB 3.37Å; L345-N401 VanDerWaalsContact O-CG 3.28Å; L345-N401 PolarHBondContact O-ND2 3.2Å; L345-E403 VanDerWaalsContact CD1-CA 3.48Å; L345-E403 HydrophobicContact CD1-CB 3.52Å; L345-E403 HydrophobicContact CD1-CG 4Å; L345-E403 HydrophobicContact CG-CB 4.41Å | ||
| 346 | N | 67 | Low | 64.2 | Low | 84 Ų | 84 | 85.3 Ų | 85.3 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | trans | -110.9 | 98.7 | 166 | -84.2 | -1.2 | 0 | 0 | 0 | 107.9 | R323 E348 | R323-N346 PolarHBondContact NH1-OD1 2.91Å; R323-N346 PolarHBondContact NH2-OD1 3.21Å; N346-E348 HydrophobicContact CB-CG 4.35Å; N346-E348 PolarHBondContact O-N 3.25Å | ||
| 347 | Y | 62.2 | Low | 63.4 | Low | 106 Ų | 106 | 86.9 Ų | 86.9 | 42% | 0.416 | 46% | 0.46 | S | S | . | . | trans | -74 | 51.9 | 164.8 | -66.4 | -71.5 | 0 | 0 | 0 | 110.1 | L345 S349 R398 N401 Y402 | L345-Y347 HydrophobicContact CB-CE2 4.36Å; Y347-S349 PolarHBondContact O-N 2.94Å; Y347-R398 HydrophobicContact CE1-CG 4.4Å; Y347-R398 HydrophobicContact CE2-CB 4.36Å; Y347-R398 HydrophobicContact CE2-CG 4.24Å; Y347-N401 WeakPolarHBondContact CD2-OD1 3.19Å; Y347-Y402 PolarHBondContact OH-O 2.85Å | ||
| 348 | E | 44.9 | Very low | 62.4 | Low | 141 Ų | 141 | 82.4 Ų | 82.4 | 66% | 0.659 | 44% | 0.437 | S | S | * | . | trans | -76.8 | 104.8 | 172.6 | -77.4 | -175.6 | 178.6 | 0 | 0 | 108.6 | N346 V350 | N346-E348 HydrophobicContact CB-CG 4.35Å; N346-E348 PolarHBondContact O-N 3.25Å; E348-V350 VanDerWaalsContact C-N 3.34Å; E348-V350 PolarHBondContact O-N 3.11Å; E348-V350 VanDerWaalsContact O-N 3.14Å | ||
| 349 | S | 39 | Very low | 61.8 | Low | 121 Ų | 121 | 84.6 Ų | 84.6 | 85% | 0.846 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 58.7 | 29.3 | 162.3 | 57.7 | 0 | 0 | 0 | 0 | 117.6 | Y347 E351 | Y347-S349 PolarHBondContact O-N 2.94Å; S349-E351 PolarHBondContact O-N 3.09Å |
| 350 | V | 35.4 | Very low | 61.3 | Low | 97 Ų | 97 | 80.6 Ų | 80.6 | 59% | 0.588 | 43% | 0.428 | S | S | * | . | trans | -91.8 | 80.3 | 169.7 | -173 | 0 | 0 | 0 | 0 | 108.4 | E348 F352 | E348-V350 VanDerWaalsContact C-N 3.34Å; E348-V350 PolarHBondContact O-N 3.11Å; E348-V350 VanDerWaalsContact O-N 3.14Å; V350-F352 HydrophobicContact CB-CD2 4.44Å; V350-F352 HydrophobicContact CG1-CB 3.69Å; V350-F352 HydrophobicContact CG1-CD2 3.31Å; V350-F352 HydrophobicContact CG1-CE2 4.22Å; V350-F352 HydrophobicContact CG1-CG 3.81Å; V350-F352 PolarHBondContact O-N 2.89Å | ||
| 351 | E | 32.6 | Very low | 60.9 | Low | 197 Ų | 197 | 86.1 Ų | 86.1 | 92% | 0.921 | 46% | 0.456 | S | S | * | . | trans | -69.4 | 61.8 | 160.3 | -72.5 | -172.6 | 168.8 | 0 | 0 | 109.4 | S349 | S349-E351 PolarHBondContact O-N 3.09Š| ||
| 352 | F | 28.8 | Very low | 60.6 | Low | 188 Ų | 188 | 83.8 Ų | 83.8 | 83% | 0.825 | 45% | 0.448 | S | S | * | . | trans | -103.1 | 123.4 | 171 | -84.6 | -107.6 | 0 | 0 | 0 | 110.8 | V350 | V350-F352 HydrophobicContact CB-CD2 4.44Å; V350-F352 HydrophobicContact CG1-CB 3.69Å; V350-F352 HydrophobicContact CG1-CD2 3.31Å; V350-F352 HydrophobicContact CG1-CE2 4.22Å; V350-F352 HydrophobicContact CG1-CG 3.81Å; V350-F352 PolarHBondContact O-N 2.89Å | ||
| 353 | G | 36.6 | Very low | 60.5 | Low | 59 Ų | 59 | 84.1 Ų | 84.1 | 61% | 0.608 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 84.4 | 71 | 149.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | N355 | G353-N355 PolarHBondContact O-N 2.68Š|
| 354 | T | 35.8 | Very low | 60.6 | Low | 144 Ų | 144 | 85.2 Ų | 85.2 | 88% | 0.883 | 46% | 0.455 | S | S | * | . | trans | 34.6 | 49 | 133.4 | 61.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 355 | N | 46.1 | Very low | 61.1 | Low | 106 Ų | 106 | 84.1 Ų | 84.1 | 57% | 0.567 | 45% | 0.448 | S | S | * | . | trans | -130.2 | 76.1 | 152.3 | -94.5 | -19.1 | 0 | 0 | 0 | 107.4 | G353 Y357 | G353-N355 PolarHBondContact O-N 2.68Å; N355-Y357 PolarHBondContact O-N 2.85Å | ||
| 356 | E | 57.3 | Low | 61.7 | Low | 149 Ų | 149 | 81.3 Ų | 81.3 | 70% | 0.696 | 43% | 0.433 | S | S | * | . | trans | -52.9 | 110.1 | 173.4 | -86.8 | -176.2 | 145.7 | 0 | 0 | 109 | V358 | E356-V358 PolarHBondContact O-N 3.02Š| ||
| 357 | Y | 69.9 | Low | 62.9 | Low | 44 Ų | 44 | 77.3 Ų | 77.3 | 17% | 0.173 | 41% | 0.412 | C | S | . | . | trans | -64.1 | 117.1 | 170.8 | 168.4 | -98.4 | 0 | 0 | 0 | 108.2 | N355 S359 F363 E364 L367 T391 R395 | N355-Y357 PolarHBondContact O-N 2.85Å; Y357-S359 PolarHBondContact O-N 3.29Å; Y357-F363 HydrophobicContact CE2-CD2 4.44Å; Y357-F363 WeakPolarHBondContact OH-CB 3.42Å; Y357-E364 WeakPolarHBondContact CE1-OE1 3.37Å; Y357-E364 PolarHBondContact OH-OE1 2.73Å; Y357-L367 WeakPolarHBondContact OH-CD1 3.39Å; Y357-T391 HydrophobicContact CD2-CG2 3.93Å; Y357-T391 HydrophobicContact CE2-CG2 4.3Å; Y357-R395 HydrophobicContact CD1-CG 4.25Å; Y357-R395 HydrophobicContact CD2-CB 4.01Å; Y357-R395 HydrophobicContact CD2-CG 4.12Å; Y357-R395 HydrophobicContact CE1-CG 4.02Å; Y357-R395 HydrophobicContact CE2-CB 3.9Å; Y357-R395 HydrophobicContact CE2-CG 3.89Å; Y357-R395 HydrophobicContact CG-CG 4.3Å | ||
| 358 | V | 69.3 | Low | 64.3 | Low | 17 Ų | 17 | 72.3 Ų | 72.3 | 10% | 0.103 | 39% | 0.392 | C | S | . | . | trans | -89.3 | 101.7 | 178.3 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | E356 T360 L555 K558 | E356-V358 PolarHBondContact O-N 3.02Å; V358-T360 PolarHBondContact O-N 3.39Å; V358-L555 HydrophobicContact CB-CD1 4.18Å; V358-L555 HydrophobicContact CB-CG 4.36Å; V358-L555 HydrophobicContact CG1-CB 4.47Å; V358-L555 HydrophobicContact CG1-CD1 4.34Å; V358-L555 HydrophobicContact CG1-CG 4.35Å; V358-K558 HydrophobicContact CG1-CB 4.02Å; V358-K558 HydrophobicContact CG1-CD 3.43Å; V358-K558 VanDerWaalsContact CG1-CD 3.43Å; V358-K558 HydrophobicContact CG1-CG 4.35Å; V358-K558 HydrophobicContact CG2-CB 4.09Å | ||
| 359 | S | 75 | Confident | 66.5 | Low | 48 Ų | 48 | 65.6 Ų | 65.6 | 34% | 0.336 | 36% | 0.36 | S | S | . | . | trans | -65.6 | 128.8 | 175.1 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | Y357 E364 K558 | Y357-S359 PolarHBondContact O-N 3.29Å; S359-E364 VanDerWaalsContact CB-OE1 3.3Å; S359-E364 WeakPolarHBondContact CB-OE1 3.28Å; S359-E364 VanDerWaalsContact OG-CD 3.24Å; S359-E364 VanDerWaalsContact OG-CG 3.23Å; S359-E364 WeakPolarHBondContact OG-CG 3.41Å; S359-E364 PolarHBondContact OG-OE1 3.41Å; S359-K558 PolarHBondContact O-NZ 3.38Å | ||
| 360 | T | 79.3 | Confident | 69.1 | Low | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | trans | -121.7 | 155.6 | 168.2 | 63.8 | 0 | 0 | 0 | 0 | 108.8 | V358 H362 F363 E364 E551 | V358-T360 PolarHBondContact O-N 3.39Å; T360-H362 VanDerWaalsContact C-N 3.31Å; T360-H362 PolarHBondContact O-N 3.01Å; T360-F363 PolarHBondContact O-N 3.29Å; T360-F363 WeakPolarHBondContact OG1-CB 3.34Å; T360-F363 WeakPolarHBondContact OG1-CD2 3.49Å; T360-F363 VanDerWaalsContact OG1-CG 3.25Å; T360-F363 WeakPolarHBondContact OG1-CG 3.39Å; T360-F363 PolarHBondContact OG1-N 3.25Å; T360-E364 WeakPolarHBondContact O-CG 3.33Å; T360-E364 PolarHBondContact O-N 3.45Å; T360-E551 HydrophobicContact CG2-CB 4.49Å | ||
| 361 | I | 82.3 | Confident | 71.8 | Confident | 120 Ų | 120 | 55.2 Ų | 55.2 | 62% | 0.615 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.3 | -47.8 | -179.6 | -64.2 | 169.4 | 0 | 0 | 0 | 110.1 | F363 E364 Q365 | I361-F363 VanDerWaalsContact C-N 3.32Å; I361-F363 PolarHBondContact O-N 3.45Å; I361-E364 PolarHBondContact O-N 2.73Å; I361-E364 VanDerWaalsContact O-N 3.17Å; I361-Q365 HydrophobicContact CG2-CG 4.27Å; I361-Q365 VanDerWaalsContact O-CG 3.27Å; I361-Q365 WeakPolarHBondContact O-CG 3.31Å; I361-Q365 PolarHBondContact O-N 3.48Å |
| 362 | H | 82.3 | Confident | 74.6 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.9 | -40.5 | 178.5 | -176.6 | 68.1 | 0 | 0 | 0 | 113.5 | T360 Q365 A366 D545 E551 | T360-H362 VanDerWaalsContact C-N 3.31Å; T360-H362 PolarHBondContact O-N 3.01Å; H362-Q365 PolarHBondContact O-N 3.13Å; H362-A366 WeakPolarHBondContact O-CB 3.47Å; H362-A366 PolarHBondContact O-N 3.15Å; H362-D545 PolarHBondContact NE2-N 2.94Å; H362-D545 PolarHBondContact NE2-O 3Å; H362-E551 VanDerWaalsContact CB-OE1 3.26Å; H362-E551 WeakPolarHBondContact CB-OE1 3.36Å |
| 363 | F | 85.7 | Confident | 77.6 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.3 | -38.2 | 176.9 | -73.9 | -8.7 | 0 | 0 | 0 | 112.8 | Y357 T360 I361 Q365 A366 L367 C387 L392 L547 L555 | Y357-F363 HydrophobicContact CE2-CD2 4.44Å; Y357-F363 WeakPolarHBondContact OH-CB 3.42Å; T360-F363 PolarHBondContact O-N 3.29Å; T360-F363 WeakPolarHBondContact OG1-CB 3.34Å; T360-F363 WeakPolarHBondContact OG1-CD2 3.49Å; T360-F363 VanDerWaalsContact OG1-CG 3.25Å; T360-F363 WeakPolarHBondContact OG1-CG 3.39Å; T360-F363 PolarHBondContact OG1-N 3.25Å; I361-F363 VanDerWaalsContact C-N 3.32Å; I361-F363 PolarHBondContact O-N 3.45Å; F363-Q365 VanDerWaalsContact C-N 3.33Å; F363-A366 PolarHBondContact O-N 3.04Å; F363-L367 WeakPolarHBondContact O-CB 3.23Å; F363-L367 VanDerWaalsContact O-CG 3.29Å; F363-L367 WeakPolarHBondContact O-CG 3.18Å; F363-L367 PolarHBondContact O-N 3.15Å; F363-C387 WeakPolarHBondContact CE1-O 3.44Å; F363-L392 HydrophobicContact CB-CD2 3.82Å; F363-L392 HydrophobicContact CD1-CD1 4.18Å; F363-L392 HydrophobicContact CD1-CD2 4.11Å; F363-L392 HydrophobicContact CD1-CG 4.32Å; F363-L392 HydrophobicContact CE1-CD1 4.41Å; F363-L392 HydrophobicContact CG-CD2 3.95Å; F363-L547 HydrophobicContact CD1-CD2 4.48Å; F363-L547 HydrophobicContact CE1-CD2 3.83Å; F363-L547 HydrophobicContact CE1-CG 4.45Å; F363-L547 HydrophobicContact CE2-CD2 4.45Å; F363-L547 HydrophobicContact CZ-CD1 4.19Å; F363-L547 HydrophobicContact CZ-CD2 3.81Å; F363-L547 HydrophobicContact CZ-CG 4.27Å; F363-L555 HydrophobicContact CE2-CD1 4.4Å |
| 364 | E | 88.1 | Confident | 80.3 | Confident | 24 Ų | 24 | 34.1 Ų | 34.1 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 174 | -62.9 | -52.7 | 141.6 | 0 | 0 | 111.9 | P310 Y357 S359 T360 I361 L367 T368 | P310-E364 HydrophobicContact CB-CB 3.8Å; P310-E364 HydrophobicContact CB-CG 4.24Å; P310-E364 HydrophobicContact CG-CB 3.83Å; P310-E364 HydrophobicContact CG-CG 4.4Å; Y357-E364 WeakPolarHBondContact CE1-OE1 3.37Å; Y357-E364 PolarHBondContact OH-OE1 2.73Å; S359-E364 VanDerWaalsContact CB-OE1 3.3Å; S359-E364 WeakPolarHBondContact CB-OE1 3.28Å; S359-E364 VanDerWaalsContact OG-CD 3.24Å; S359-E364 VanDerWaalsContact OG-CG 3.23Å; S359-E364 WeakPolarHBondContact OG-CG 3.41Å; S359-E364 PolarHBondContact OG-OE1 3.41Å; T360-E364 WeakPolarHBondContact O-CG 3.33Å; T360-E364 PolarHBondContact O-N 3.45Å; I361-E364 PolarHBondContact O-N 2.73Å; I361-E364 VanDerWaalsContact O-N 3.17Å; E364-L367 PolarHBondContact O-N 3.34Å; E364-T368 PolarHBondContact O-N 2.73Å; E364-T368 PolarHBondContact O-OG1 3.37Å |
| 365 | Q | 89.4 | Confident | 82.9 | Confident | 31 Ų | 31 | 30.4 Ų | 30.4 | 15% | 0.145 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 173.7 | -67.6 | -176.2 | -37.4 | 0 | 0 | 111.9 | L305 F308 I361 H362 F363 T368 A369 | L305-Q365 HydrophobicContact CB-CB 4.41Å; F308-Q365 HydrophobicContact CB-CB 4.48Å; F308-Q365 VanDerWaalsContact O-CG 3.24Å; F308-Q365 WeakPolarHBondContact O-CG 3.32Å; F308-Q365 PolarHBondContact O-NE2 3.08Å; I361-Q365 HydrophobicContact CG2-CG 4.27Å; I361-Q365 VanDerWaalsContact O-CG 3.27Å; I361-Q365 WeakPolarHBondContact O-CG 3.31Å; I361-Q365 PolarHBondContact O-N 3.48Å; H362-Q365 PolarHBondContact O-N 3.13Å; F363-Q365 VanDerWaalsContact C-N 3.33Å; Q365-T368 PolarHBondContact O-N 3.2Å; Q365-A369 PolarHBondContact O-N 3.2Å |
| 366 | A | 89.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.5 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L305 H362 F363 T368 A369 M370 L392 | L305-A366 HydrophobicContact CD1-CB 4.48Å; H362-A366 WeakPolarHBondContact O-CB 3.47Å; H362-A366 PolarHBondContact O-N 3.15Å; F363-A366 PolarHBondContact O-N 3.04Å; A366-T368 VanDerWaalsContact C-N 3.35Å; A366-T368 PolarHBondContact O-N 2.99Å; A366-A369 PolarHBondContact O-N 2.85Å; A366-M370 WeakPolarHBondContact O-CB 3.12Å; A366-M370 WeakPolarHBondContact O-CG 3.49Å; A366-M370 PolarHBondContact O-N 2.91Å; A366-L392 HydrophobicContact CB-CD1 4.14Å; A366-L392 HydrophobicContact CB-CD2 4.46Å |
| 367 | L | 91 | Very high | 86.4 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 175.2 | -75.9 | 169.4 | 0 | 0 | 0 | 112.3 | I311 Y357 F363 E364 M370 T371 L392 R395 F396 L399 | I311-L367 HydrophobicContact CD1-CB 4.43Å; Y357-L367 WeakPolarHBondContact OH-CD1 3.39Å; F363-L367 WeakPolarHBondContact O-CB 3.23Å; F363-L367 VanDerWaalsContact O-CG 3.29Å; F363-L367 WeakPolarHBondContact O-CG 3.18Å; F363-L367 PolarHBondContact O-N 3.15Å; E364-L367 PolarHBondContact O-N 3.34Å; L367-M370 HydrophobicContact CD2-SD 4.26Å; L367-M370 PolarHBondContact O-N 3.19Å; L367-T371 WeakPolarHBondContact O-CB 2.96Å; L367-T371 PolarHBondContact O-N 2.81Å; L367-T371 PolarHBondContact O-OG1 3.43Å; L367-L392 HydrophobicContact CD2-CD2 4.21Å; L367-L392 HydrophobicContact CG-CD2 3.94Å; L367-R395 HydrophobicContact CD1-CG 3.76Å; L367-R395 HydrophobicContact CD2-CB 4.44Å; L367-R395 HydrophobicContact CD2-CG 4.2Å; L367-F396 HydrophobicContact CD2-CB 4.1Å; L367-L399 HydrophobicContact CD1-CD1 4.39Å |
| 368 | T | 91.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 173.7 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | F308 E309 I311 L329 E364 Q365 A366 M370 T371 M372 | F308-T368 HydrophobicContact CB-CG2 3.83Å; F308-T368 HydrophobicContact CD1-CG2 4.1Å; F308-T368 HydrophobicContact CG-CG2 4.31Å; E309-T368 WeakPolarHBondContact O-CB 2.88Å; E309-T368 PolarHBondContact O-OG1 2.81Å; I311-T368 WeakPolarHBondContact CG1-OG1 3.47Å; L329-T368 HydrophobicContact CB-CG2 4.47Å; L329-T368 HydrophobicContact CD2-CG2 4.05Å; E364-T368 PolarHBondContact O-N 2.73Å; E364-T368 PolarHBondContact O-OG1 3.37Å; Q365-T368 PolarHBondContact O-N 3.2Å; A366-T368 VanDerWaalsContact C-N 3.35Å; A366-T368 PolarHBondContact O-N 2.99Å; T368-M370 PolarHBondContact O-N 3.07Å; T368-T371 WeakPolarHBondContact O-CB 3.26Å; T368-T371 PolarHBondContact O-N 3.27Å; T368-M372 HydrophobicContact CG2-CE 4.47Å; T368-M372 WeakPolarHBondContact O-CG 3.47Å; T368-M372 PolarHBondContact O-N 2.72Å |
| 369 | A | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F275 L305 F308 Q365 A366 T371 M372 A373 V542 | F275-A369 HydrophobicContact CE1-CB 4.19Å; F275-A369 WeakPolarHBondContact CE1-O 3.19Å; F275-A369 HydrophobicContact CZ-CB 4.37Å; L305-A369 HydrophobicContact CD2-CB 3.78Å; F308-A369 HydrophobicContact CD2-CB 4.2Å; F308-A369 HydrophobicContact CE2-CB 4.2Å; Q365-A369 PolarHBondContact O-N 3.2Å; A366-A369 PolarHBondContact O-N 2.85Å; A369-T371 VanDerWaalsContact C-N 3.32Å; A369-T371 PolarHBondContact O-N 3.4Å; A369-M372 PolarHBondContact O-N 2.83Å; A369-A373 PolarHBondContact O-N 3.49Å; A369-V542 HydrophobicContact CB-CG1 3.92Å |
| 370 | M | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | 173.7 | -72.1 | 169 | 68.5 | 0 | 0 | 111.7 | A366 L367 T368 A373 H374 F379 L381 L392 F396 V542 | A366-M370 WeakPolarHBondContact O-CB 3.12Å; A366-M370 WeakPolarHBondContact O-CG 3.49Å; A366-M370 PolarHBondContact O-N 2.91Å; L367-M370 HydrophobicContact CD2-SD 4.26Å; L367-M370 PolarHBondContact O-N 3.19Å; T368-M370 PolarHBondContact O-N 3.07Å; M370-A373 PolarHBondContact O-N 2.95Å; M370-H374 VanDerWaalsContact O-CB 3.22Å; M370-H374 WeakPolarHBondContact O-CB 3.22Å; M370-H374 PolarHBondContact O-N 2.87Å; M370-F379 HydrophobicContact CB-CE2 4.16Å; M370-F379 HydrophobicContact CB-CZ 4.11Å; M370-F379 HydrophobicContact CE-CE2 3.93Å; M370-F379 HydrophobicContact CE-CZ 4.02Å; M370-F379 HydrophobicContact CG-CE2 3.9Å; M370-F379 HydrophobicContact CG-CZ 4.32Å; M370-L381 HydrophobicContact CE-CD1 4.19Å; M370-L381 HydrophobicContact CE-CD2 4.34Å; M370-L381 HydrophobicContact CG-CD2 3.85Å; M370-L381 HydrophobicContact SD-CD1 4.35Å; M370-L381 HydrophobicContact SD-CD2 4.02Å; M370-L392 HydrophobicContact SD-CB 4.17Å; M370-F396 HydrophobicContact CB-CD2 4.1Å; M370-F396 HydrophobicContact CB-CE2 4.31Å; M370-F396 HydrophobicContact CE-CB 3.59Å; M370-F396 HydrophobicContact CE-CD1 4.49Å; M370-F396 HydrophobicContact CE-CD2 3.94Å; M370-F396 HydrophobicContact CE-CG 3.76Å; M370-V542 HydrophobicContact CG-CG1 4.24Å; M370-V542 HydrophobicContact CG-CG2 4.43Å |
| 371 | T | 92.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 177.8 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | I311 V327 L329 V340 L367 T368 A369 H374 R375 F400 | I311-T371 WeakPolarHBondContact CD1-OG1 3.45Å; V327-T371 HydrophobicContact CB-CG2 4.4Å; V327-T371 HydrophobicContact CG1-CG2 4.2Å; V327-T371 HydrophobicContact CG2-CG2 4.18Å; L329-T371 HydrophobicContact CD1-CG2 4.28Å; V340-T371 HydrophobicContact CG1-CG2 4.31Å; L367-T371 WeakPolarHBondContact O-CB 2.96Å; L367-T371 PolarHBondContact O-N 2.81Å; L367-T371 PolarHBondContact O-OG1 3.43Å; T368-T371 WeakPolarHBondContact O-CB 3.26Å; T368-T371 PolarHBondContact O-N 3.27Å; A369-T371 VanDerWaalsContact C-N 3.32Å; A369-T371 PolarHBondContact O-N 3.4Å; T371-H374 PolarHBondContact O-N 2.88Å; T371-R375 PolarHBondContact O-N 3.36Å; T371-R375 VanDerWaalsContact O-N 3.13Å; T371-F400 HydrophobicContact CG2-CE1 4.47Å; T371-F400 HydrophobicContact CG2-CE2 4.33Å; T371-F400 HydrophobicContact CG2-CZ 3.62Å |
| 372 | M | 91.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -65.7 | -41.6 | 174.3 | -68.6 | -162.5 | 171.6 | 0 | 0 | 112.4 | L260 L267 F275 F308 L329 V331 L338 T368 A369 R375 | L260-M372 HydrophobicContact CD1-CB 4.41Å; L260-M372 HydrophobicContact CD2-CB 4.33Å; L267-M372 HydrophobicContact CD1-SD 4.47Å; L267-M372 HydrophobicContact CD2-SD 4.24Å; F275-M372 HydrophobicContact CZ-CB 3.99Å; F308-M372 HydrophobicContact CD1-CE 4.4Å; F308-M372 HydrophobicContact CD1-SD 4.04Å; F308-M372 HydrophobicContact CE1-CE 4.5Å; F308-M372 HydrophobicContact CE1-SD 3.66Å; L329-M372 HydrophobicContact CB-CE 4.5Å; L329-M372 HydrophobicContact CD1-CE 3.97Å; L329-M372 HydrophobicContact CD1-CG 4.2Å; V331-M372 HydrophobicContact CG2-CE 3.27Å; V331-M372 HydrophobicContact CG2-SD 4.31Å; L338-M372 HydrophobicContact CD1-CE 4.42Å; L338-M372 HydrophobicContact CD1-CG 3.92Å; T368-M372 HydrophobicContact CG2-CE 4.47Å; T368-M372 WeakPolarHBondContact O-CG 3.47Å; T368-M372 PolarHBondContact O-N 2.72Å; A369-M372 PolarHBondContact O-N 2.83Å; M372-R375 WeakPolarHBondContact O-CB 3.49Å; M372-R375 PolarHBondContact O-N 3.22Å |
| 373 | A | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F275 A369 M370 R375 L376 H377 F379 L540 V542 | F275-A373 HydrophobicContact CD1-CB 4.17Å; F275-A373 HydrophobicContact CE1-CB 4.18Å; A369-A373 PolarHBondContact O-N 3.49Å; M370-A373 PolarHBondContact O-N 2.95Å; A373-R375 VanDerWaalsContact C-N 3.27Å; A373-R375 PolarHBondContact O-N 3.31Å; A373-L376 WeakPolarHBondContact O-CB 3.44Å; A373-L376 PolarHBondContact O-N 3.09Å; A373-H377 PolarHBondContact O-N 2.78Å; A373-H377 VanDerWaalsContact O-O 3.05Å; A373-F379 HydrophobicContact CB-CB 3.86Å; A373-F379 HydrophobicContact CB-CD1 4.12Å; A373-F379 HydrophobicContact CB-CG 3.98Å; A373-L540 HydrophobicContact CB-CB 4.39Å; A373-L540 HydrophobicContact CB-CD1 4.41Å; A373-V542 HydrophobicContact CB-CG2 4.07Å |
| 374 | H | 92.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.009 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.7 | -31.1 | 178.6 | 173.4 | -130.9 | 0 | 0 | 0 | 114.3 | R341 M370 T371 L376 F379 F396 Y402 | R341-H374 PolarHBondContact O-CE1 2.71Å; M370-H374 VanDerWaalsContact O-CB 3.22Å; M370-H374 WeakPolarHBondContact O-CB 3.22Å; M370-H374 PolarHBondContact O-N 2.87Å; T371-H374 PolarHBondContact O-N 2.88Å; H374-L376 PolarHBondContact O-N 2.57Å; H374-F379 HydrophobicContact CB-CD1 4.36Å; H374-F379 HydrophobicContact CB-CE1 3.89Å; H374-F396 HydrophobicContact CB-CE2 4.11Å; H374-F396 HydrophobicContact CB-CZ 3.81Å; H374-F396 AromaticContact CD2-CZ 3.89Å; H374-F396 AromaticContact CE1-CZ 3.98Å; H374-F396 AromaticContact CG-CZ 3.6Å; H374-F396 AromaticContact ND1-CZ 3.71Å; H374-Y402 AromaticContact CE1-CE2 3.84Å; H374-Y402 AromaticContact NE2-CE2 3.7Å; H374-Y402 AromaticContact NE2-CZ 3.74Å; H374-Y402 PolarHBondContact NE2-OH 3.37Å; H374-Y402 VanDerWaalsContact NE2-OH 3.12Å |
| 375 | R | 89.7 | Confident | 89.3 | Confident | 65 Ų | 65 | 16 Ų | 16 | 25% | 0.245 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.8 | -37.1 | 172.2 | 175.1 | 57.7 | -173 | 87.8 | 1.2 | 111.9 | T339 V340 T371 M372 A373 | T339-R375 WeakPolarHBondContact O-CD 3.3Å; T339-R375 PolarHBondContact O-NE 2.97Å; V340-R375 HydrophobicContact CG1-CB 3.79Å; V340-R375 HydrophobicContact CG1-CG 4.46Å; T371-R375 PolarHBondContact O-N 3.36Å; T371-R375 VanDerWaalsContact O-N 3.13Å; M372-R375 WeakPolarHBondContact O-CB 3.49Å; M372-R375 PolarHBondContact O-N 3.22Å; A373-R375 VanDerWaalsContact C-N 3.27Å; A373-R375 PolarHBondContact O-N 3.31Å |
| 376 | L | 86.7 | Confident | 88.3 | Confident | 19 Ų | 19 | 17 Ų | 17 | 10% | 0.099 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -90.8 | -54.1 | -171.8 | -65.7 | -176.8 | 0 | 0 | 0 | 112.1 | H256 L257 L260 A373 H374 L540 | H256-L376 HydrophobicContact CB-CB 4.27Å; H256-L376 HydrophobicContact CB-CD1 4.24Å; H256-L376 HydrophobicContact CB-CD2 4.12Å; H256-L376 HydrophobicContact CB-CG 4.45Å; H256-L376 WeakPolarHBondContact O-CD2 3.18Å; L257-L376 HydrophobicContact CD2-CD1 4.49Å; L260-L376 HydrophobicContact CB-CD1 3.88Å; L260-L376 HydrophobicContact CB-CD2 4Å; L260-L376 HydrophobicContact CB-CG 4.25Å; L260-L376 HydrophobicContact CD2-CD1 3.82Å; L260-L376 HydrophobicContact CG-CD1 4.34Å; A373-L376 WeakPolarHBondContact O-CB 3.44Å; A373-L376 PolarHBondContact O-N 3.09Å; H374-L376 PolarHBondContact O-N 2.57Å; L376-L540 HydrophobicContact CB-CD1 3.62Å; L376-L540 HydrophobicContact CD1-CD1 3.82Å; L376-L540 HydrophobicContact CG-CD1 4.37Å |
| 377 | H | 89.9 | Confident | 87.5 | Confident | 16 Ų | 16 | 17.1 Ų | 17.1 | 7% | 0.074 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -161.6 | 175.2 | -166 | -157 | -98.6 | 0 | 0 | 0 | 111.9 | A373 I467 H468 L538 L540 | A373-H377 PolarHBondContact O-N 2.78Å; A373-H377 VanDerWaalsContact O-O 3.05Å; H377-I467 WeakPolarHBondContact CE1-CG2 3.43Å; H377-H468 AromaticContact CE1-ND1 3.95Å; H377-H468 AromaticContact NE2-ND1 3.54Å; H377-L538 PolarHBondContact CE1-O 2.89Å; H377-L540 HydrophobicContact CB-CD1 3.92Å; H377-L540 HydrophobicContact CB-CG 4.18Å |
| 378 | D | 94 | Very high | 86.8 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | trans | -64.4 | 147.2 | 164.1 | -67.3 | -25.4 | 0 | 0 | 0 | 110.1 | R470 R513 I514 F539 L540 | D378-R470 IonicContact OD1-CZ 3.33Å; D378-R470 IonicContact OD1-NH1 2.94Å; D378-R470 IonicContact OD1-NH2 2.6Å; D378-R470 PolarHBondContact OD1-NH2 3.48Å; D378-R470 IonicContact OD2-CZ 2.9Å; D378-R470 IonicContact OD2-NH1 2.88Å; D378-R470 PolarHBondContact OD2-NH1 3.24Å; D378-R470 IonicContact OD2-NH2 2.64Å; D378-R470 PolarHBondContact OD2-NH2 3.33Å; D378-R513 WeakPolarHBondContact OD1-CD 3.14Å; D378-I514 HydrophobicContact CB-CB 4.07Å; D378-I514 WeakPolarHBondContact CB-O 3.46Å; D378-I514 PolarHBondContact OD1-N 3.01Å; D378-F539 HydrophobicContact CB-CD1 4.21Å; D378-F539 HydrophobicContact CB-CE1 4.32Å; D378-L540 PolarHBondContact O-N 3.46Å | ||
| 379 | F | 95.1 | Very high | 86.6 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 163.1 | -170.8 | 65.5 | -91.1 | 0 | 0 | 0 | 113.3 | M370 A373 H374 L381 F396 I514 V515 A516 L540 V542 | M370-F379 HydrophobicContact CB-CE2 4.16Å; M370-F379 HydrophobicContact CB-CZ 4.11Å; M370-F379 HydrophobicContact CE-CE2 3.93Å; M370-F379 HydrophobicContact CE-CZ 4.02Å; M370-F379 HydrophobicContact CG-CE2 3.9Å; M370-F379 HydrophobicContact CG-CZ 4.32Å; A373-F379 HydrophobicContact CB-CB 3.86Å; A373-F379 HydrophobicContact CB-CD1 4.12Å; A373-F379 HydrophobicContact CB-CG 3.98Å; H374-F379 HydrophobicContact CB-CD1 4.36Å; H374-F379 HydrophobicContact CB-CE1 3.89Å; F379-L381 HydrophobicContact CD2-CD2 4.1Å; F379-L381 HydrophobicContact CE2-CD2 3.91Å; F379-L381 HydrophobicContact CE2-CG 4.43Å; F379-F396 HydrophobicContact CE1-CE1 4.5Å; F379-F396 HydrophobicContact CE1-CZ 4.12Å; F379-F396 HydrophobicContact CZ-CE1 4.32Å; F379-F396 HydrophobicContact CZ-CE2 4.32Å; F379-F396 HydrophobicContact CZ-CZ 4.14Å; F379-I514 PolarHBondContact N-O 2.95Å; F379-V515 HydrophobicContact CD2-CG1 4.25Å; F379-V515 HydrophobicContact CE1-CG2 3.84Å; F379-V515 HydrophobicContact CE2-CB 4.47Å; F379-V515 HydrophobicContact CE2-CG1 3.75Å; F379-V515 HydrophobicContact CE2-CG2 3.92Å; F379-V515 HydrophobicContact CZ-CG1 4.2Å; F379-V515 HydrophobicContact CZ-CG2 3.52Å; F379-V515 CarbonylContact O-C 3.6Å; F379-V515 WeakPolarHBondContact O-CA 3.46Å; F379-A516 PolarHBondContact O-N 3.33Å; F379-L540 CarbonylContact C-O 3.48Å; F379-L540 WeakPolarHBondContact CA-O 3.39Å; F379-L540 HydrophobicContact CB-CB 4.14Å; F379-L540 VanDerWaalsContact CB-O 3.3Å; F379-L540 WeakPolarHBondContact CB-O 3.35Å; F379-V542 HydrophobicContact CD2-CG2 4.49Å |
| 380 | C | 94.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.5 | -178.1 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | I452 A516 F539 L540 F541 V542 | C380-I452 HydrophobicContact CB-CD1 4.42Å; C380-I452 VanDerWaalsContact SG-CD1 3.58Å; C380-A516 CarbonylContact C-O 3.39Å; C380-A516 VanDerWaalsContact CA-O 3.25Å; C380-A516 WeakPolarHBondContact CA-O 3.49Å; C380-A516 HydrophobicContact CB-CB 3.82Å; C380-F539 HydrophobicContact CB-CB 3.83Å; C380-F539 HydrophobicContact CB-CD2 4.45Å; C380-F539 HydrophobicContact CB-CG 4.1Å; C380-L540 PolarHBondContact N-O 3.41Å; C380-F541 HydrophobicContact CB-CD1 3.72Å; C380-F541 HydrophobicContact CB-CE1 3.8Å; C380-F541 CarbonylContact O-C 3.56Å; C380-F541 WeakPolarHBondContact O-CA 3.4Å; C380-V542 PolarHBondContact O-N 3.44Å |
| 381 | L | 93.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 118.1 | 172 | -60.1 | -171 | 0 | 0 | 0 | 110.6 | M370 F379 K389 I393 V515 A516 T517 A518 V542 V544 | M370-L381 HydrophobicContact CE-CD1 4.19Å; M370-L381 HydrophobicContact CE-CD2 4.34Å; M370-L381 HydrophobicContact CG-CD2 3.85Å; M370-L381 HydrophobicContact SD-CD1 4.35Å; M370-L381 HydrophobicContact SD-CD2 4.02Å; F379-L381 HydrophobicContact CD2-CD2 4.1Å; F379-L381 HydrophobicContact CE2-CD2 3.91Å; F379-L381 HydrophobicContact CE2-CG 4.43Å; L381-K389 HydrophobicContact CB-CD 4.3Å; L381-K389 HydrophobicContact CD1-CB 4.3Å; L381-I393 HydrophobicContact CD1-CD1 3.92Å; L381-I393 HydrophobicContact CD1-CG1 3.62Å; L381-V515 HydrophobicContact CG-CG1 4.3Å; L381-A516 PolarHBondContact N-O 3.05Å; L381-T517 WeakPolarHBondContact O-CA 3.44Å; L381-A518 PolarHBondContact O-N 2.89Å; L381-V542 CarbonylContact C-O 3.46Å; L381-V542 WeakPolarHBondContact CA-O 3.47Å; L381-V542 HydrophobicContact CD2-CB 3.81Å; L381-V542 HydrophobicContact CD2-CG1 4.28Å; L381-V544 HydrophobicContact CD2-CG2 4.38Å |
| 382 | L | 89.3 | Confident | 85.3 | Confident | 8 Ų | 8 | 23.7 Ų | 23.7 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 115.8 | 175.7 | -62.9 | -178.3 | 0 | 0 | 0 | 110.2 | P278 A518 F530 L531 F541 V542 R543 V544 | P278-L382 HydrophobicContact CB-CD1 3.71Å; P278-L382 HydrophobicContact CG-CD1 3.66Å; L382-A518 HydrophobicContact CD2-CB 3.8Å; L382-F530 HydrophobicContact CD2-CZ 3.76Å; L382-L531 HydrophobicContact CD1-CD1 4.45Å; L382-L531 HydrophobicContact CD1-CD2 4.48Å; L382-F541 HydrophobicContact CD1-CB 3.95Å; L382-F541 HydrophobicContact CD1-CD1 3.55Å; L382-F541 HydrophobicContact CD1-CE1 4.38Å; L382-F541 HydrophobicContact CD1-CG 3.97Å; L382-F541 HydrophobicContact CD2-CD1 3.88Å; L382-F541 HydrophobicContact CD2-CE1 4.26Å; L382-F541 HydrophobicContact CG-CB 4.35Å; L382-F541 HydrophobicContact CG-CD1 3.66Å; L382-F541 HydrophobicContact CG-CE1 4.49Å; L382-F541 HydrophobicContact CG-CG 4.4Å; L382-V542 PolarHBondContact N-O 3.48Å; L382-R543 CarbonylContact O-C 3.37Å; L382-R543 VanDerWaalsContact O-CA 3.29Å; L382-R543 WeakPolarHBondContact O-CA 3.49Å; L382-V544 PolarHBondContact O-N 2.99Å |
| 383 | G | 83.3 | Confident | 85.3 | Confident | 3 Ų | 3 | 24 Ų | 24 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | trans | -168.3 | 161 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K389 A518 P520 V544 | G383-K389 PolarHBondContact O-NZ 3.48Å; G383-A518 PolarHBondContact N-O 2.7Å; G383-P520 VanDerWaalsContact C-CD 3.49Å; G383-P520 WeakPolarHBondContact O-CD 3.39Å; G383-V544 VanDerWaalsContact CA-O 3.28Å; G383-V544 WeakPolarHBondContact CA-O 3.49Å | ||
| 384 | Q | 74.7 | Confident | 85 | Confident | 95 Ų | 95 | 27.7 Ų | 27.7 | 44% | 0.444 | 15% | 0.151 | S | C | . | . | trans | -66.6 | 170.1 | 177.1 | -64.7 | -173.8 | 3.6 | 0 | 0 | 111.8 | C387 K389 P520 S546 | Q384-C387 PolarHBondContact O-SG 3.41Å; Q384-K389 PolarHBondContact O-NZ 3.41Å; Q384-P520 HydrophobicContact CG-CG 4.31Å; Q384-S546 PolarHBondContact OE1-OG 3.27Å | ||
| 385 | R | 69.4 | Low | 84.7 | Confident | 93 Ų | 93 | 31.4 Ų | 31.4 | 35% | 0.351 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 139.3 | 172.9 | -66.3 | -178.8 | -172 | 178.2 | 6.7 | 110.1 | C387 E519 A881 | R385-C387 VanDerWaalsContact C-N 3.29Å; R385-C387 PolarHBondContact O-N 3.11Å; R385-E519 WeakPolarHBondContact CD-OE1 3.36Å; R385-E519 HydrophobicContact CG-CG 4.42Å; R385-E519 WeakPolarHBondContact CG-OE1 3.5Å; R385-E519 IonicContact CZ-OE1 2.7Å; R385-E519 IonicContact CZ-OE2 2.83Å; R385-E519 IonicContact NE-OE1 3.34Å; R385-E519 PolarHBondContact NE-OE1 2.98Å; R385-E519 IonicContact NE-OE2 3.9Å; R385-E519 PolarHBondContact NE-OE2 2.97Å; R385-E519 IonicContact NH2-OE1 2.67Å; R385-E519 IonicContact NH2-OE2 3.94Å; R385-E519 PolarHBondContact NH2-OE2 3.47Å; R385-A881 PolarHBondContact NH1-O 3.42Å |
| 386 | G | 67 | Low | 84.8 | Confident | 52 Ų | 52 | 28.3 Ų | 28.3 | 54% | 0.536 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 4.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | G388 | G386-G388 PolarHBondContact O-N 2.75Š|
| 387 | C | 74.1 | Confident | 84.9 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.027 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -75.5 | 1.1 | 176.9 | 69.8 | 0 | 0 | 0 | 0 | 114.7 | F363 Q384 R385 K389 V544 | F363-C387 WeakPolarHBondContact CE1-O 3.44Å; Q384-C387 PolarHBondContact O-SG 3.41Å; R385-C387 VanDerWaalsContact C-N 3.29Å; R385-C387 PolarHBondContact O-N 3.11Å; C387-K389 VanDerWaalsContact SG-CG 3.55Å; C387-V544 HydrophobicContact CB-CG1 4.32Å; C387-V544 PolarHBondContact SG-O 3.17Å; C387-V544 VanDerWaalsContact SG-O 3.42Å |
| 388 | G | 76.3 | Confident | 84.7 | Confident | 17 Ų | 17 | 31.9 Ų | 31.9 | 18% | 0.175 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 94.5 | 15.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116 | G386 S390 T391 L392 | G386-G388 PolarHBondContact O-N 2.75Å; G388-S390 PolarHBondContact O-N 3.44Å; G388-T391 PolarHBondContact O-N 3.48Å; G388-L392 PolarHBondContact O-N 3.23Å |
| 389 | K | 86.1 | Confident | 84.3 | Confident | 21 Ų | 21 | 33.6 Ų | 33.6 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -50.3 | -51 | 179.3 | -58 | -174 | -68.6 | -97.1 | 0 | 113.1 | L381 G383 Q384 C387 T391 L392 I393 | L381-K389 HydrophobicContact CB-CD 4.3Å; L381-K389 HydrophobicContact CD1-CB 4.3Å; G383-K389 PolarHBondContact O-NZ 3.48Å; Q384-K389 PolarHBondContact O-NZ 3.41Å; C387-K389 VanDerWaalsContact SG-CG 3.55Å; K389-T391 VanDerWaalsContact C-N 3.34Å; K389-T391 PolarHBondContact O-N 3.15Å; K389-L392 WeakPolarHBondContact O-CB 3.33Å; K389-L392 PolarHBondContact O-N 2.79Å; K389-I393 WeakPolarHBondContact O-CG1 3.08Å; K389-I393 PolarHBondContact O-N 3.43Å |
| 390 | S | 82 | Confident | 84.1 | Confident | 37 Ų | 37 | 33.5 Ų | 33.5 | 26% | 0.259 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.8 | -42.9 | -178.9 | -42.2 | 0 | 0 | 0 | 0 | 111.7 | G388 L392 I393 E394 | G388-S390 PolarHBondContact O-N 3.44Å; S390-L392 PolarHBondContact O-N 3.22Å; S390-I393 PolarHBondContact O-N 3.4Å; S390-E394 PolarHBondContact O-N 3.08Å |
| 391 | T | 82.1 | Confident | 83.7 | Confident | 63 Ų | 63 | 34.6 Ų | 34.6 | 39% | 0.387 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65 | -38.3 | 177.1 | -50 | 0 | 0 | 0 | 0 | 112.4 | Y357 G388 K389 E394 R395 | Y357-T391 HydrophobicContact CD2-CG2 3.93Å; Y357-T391 HydrophobicContact CE2-CG2 4.3Å; G388-T391 PolarHBondContact O-N 3.48Å; K389-T391 VanDerWaalsContact C-N 3.34Å; K389-T391 PolarHBondContact O-N 3.15Å; T391-E394 PolarHBondContact O-N 3.39Å; T391-R395 WeakPolarHBondContact O-CB 3.47Å; T391-R395 PolarHBondContact O-N 3.36Å |
| 392 | L | 87.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 173.8 | -77 | 170.8 | 0 | 0 | 0 | 111.7 | F363 A366 L367 M370 G388 K389 S390 R395 F396 V544 | F363-L392 HydrophobicContact CB-CD2 3.82Å; F363-L392 HydrophobicContact CD1-CD1 4.18Å; F363-L392 HydrophobicContact CD1-CD2 4.11Å; F363-L392 HydrophobicContact CD1-CG 4.32Å; F363-L392 HydrophobicContact CE1-CD1 4.41Å; F363-L392 HydrophobicContact CG-CD2 3.95Å; A366-L392 HydrophobicContact CB-CD1 4.14Å; A366-L392 HydrophobicContact CB-CD2 4.46Å; L367-L392 HydrophobicContact CD2-CD2 4.21Å; L367-L392 HydrophobicContact CG-CD2 3.94Å; M370-L392 HydrophobicContact SD-CB 4.17Å; G388-L392 PolarHBondContact O-N 3.23Å; K389-L392 WeakPolarHBondContact O-CB 3.33Å; K389-L392 PolarHBondContact O-N 2.79Å; S390-L392 PolarHBondContact O-N 3.22Å; L392-R395 PolarHBondContact O-N 2.95Å; L392-F396 VanDerWaalsContact O-CB 3.23Å; L392-F396 WeakPolarHBondContact O-CB 3.32Å; L392-F396 PolarHBondContact O-N 3.22Å; L392-V544 HydrophobicContact CD1-CB 4.45Å; L392-V544 HydrophobicContact CD1-CG1 3.71Å; L392-V544 HydrophobicContact CD1-CG2 3.82Å |
| 393 | I | 90.1 | Very high | 83.3 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.036 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -45.2 | 177.2 | -66.2 | 169.9 | 0 | 0 | 0 | 111 | L381 K389 S390 R395 F396 A397 L446 V448 V515 T517 | L381-I393 HydrophobicContact CD1-CD1 3.92Å; L381-I393 HydrophobicContact CD1-CG1 3.62Å; K389-I393 WeakPolarHBondContact O-CG1 3.08Å; K389-I393 PolarHBondContact O-N 3.43Å; S390-I393 PolarHBondContact O-N 3.4Å; I393-R395 VanDerWaalsContact C-N 3.33Å; I393-R395 PolarHBondContact O-N 3.02Å; I393-F396 PolarHBondContact O-N 2.97Å; I393-A397 WeakPolarHBondContact O-CB 3.42Å; I393-A397 PolarHBondContact O-N 3.15Å; I393-L446 HydrophobicContact CG2-CD2 4.31Å; I393-V448 HydrophobicContact CD1-CG1 3.88Å; I393-V448 HydrophobicContact CG2-CG2 3.54Å; I393-V515 HydrophobicContact CD1-CG1 3.84Å; I393-V515 HydrophobicContact CG1-CG1 3.96Å; I393-T517 HydrophobicContact CD1-CG2 3.6Å |
| 394 | E | 85.6 | Confident | 83.2 | Confident | 77 Ų | 77 | 39.8 Ų | 39.8 | 36% | 0.36 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 175.5 | -74.2 | -179.6 | -175.8 | 0 | 0 | 111.9 | S390 T391 A397 R398 | S390-E394 PolarHBondContact O-N 3.08Å; T391-E394 PolarHBondContact O-N 3.39Å; E394-A397 PolarHBondContact O-N 3.46Å; E394-R398 WeakPolarHBondContact O-CG 3.49Å; E394-R398 PolarHBondContact O-N 3.48Å |
| 395 | R | 87 | Confident | 83.6 | Confident | 80 Ų | 80 | 35.7 Ų | 35.7 | 30% | 0.302 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.6 | -46.2 | 176.3 | -179.8 | 57.7 | 174.1 | 172.9 | 0.2 | 111.2 | Y357 L367 T391 L392 I393 A397 R398 L399 | Y357-R395 HydrophobicContact CD1-CG 4.25Å; Y357-R395 HydrophobicContact CD2-CB 4.01Å; Y357-R395 HydrophobicContact CD2-CG 4.12Å; Y357-R395 HydrophobicContact CE1-CG 4.02Å; Y357-R395 HydrophobicContact CE2-CB 3.9Å; Y357-R395 HydrophobicContact CE2-CG 3.89Å; Y357-R395 HydrophobicContact CG-CG 4.3Å; L367-R395 HydrophobicContact CD1-CG 3.76Å; L367-R395 HydrophobicContact CD2-CB 4.44Å; L367-R395 HydrophobicContact CD2-CG 4.2Å; T391-R395 WeakPolarHBondContact O-CB 3.47Å; T391-R395 PolarHBondContact O-N 3.36Å; L392-R395 PolarHBondContact O-N 2.95Å; I393-R395 VanDerWaalsContact C-N 3.33Å; I393-R395 PolarHBondContact O-N 3.02Å; R395-A397 PolarHBondContact O-N 3.18Å; R395-R398 PolarHBondContact O-N 3.48Å; R395-L399 HydrophobicContact CG-CD1 4.23Å; R395-L399 WeakPolarHBondContact O-CG 3.15Å; R395-L399 PolarHBondContact O-N 3.46Å |
| 396 | F | 91.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58 | -47 | 176.1 | 174.3 | -90.4 | 0 | 0 | 0 | 111.5 | L367 M370 H374 F379 L392 I393 R398 L399 F400 Y402 L446 | L367-F396 HydrophobicContact CD2-CB 4.1Å; M370-F396 HydrophobicContact CB-CD2 4.1Å; M370-F396 HydrophobicContact CB-CE2 4.31Å; M370-F396 HydrophobicContact CE-CB 3.59Å; M370-F396 HydrophobicContact CE-CD1 4.49Å; M370-F396 HydrophobicContact CE-CD2 3.94Å; M370-F396 HydrophobicContact CE-CG 3.76Å; H374-F396 HydrophobicContact CB-CE2 4.11Å; H374-F396 HydrophobicContact CB-CZ 3.81Å; H374-F396 AromaticContact CD2-CZ 3.89Å; H374-F396 AromaticContact CE1-CZ 3.98Å; H374-F396 AromaticContact CG-CZ 3.6Å; H374-F396 AromaticContact ND1-CZ 3.71Å; F379-F396 HydrophobicContact CE1-CE1 4.5Å; F379-F396 HydrophobicContact CE1-CZ 4.12Å; F379-F396 HydrophobicContact CZ-CE1 4.32Å; F379-F396 HydrophobicContact CZ-CE2 4.32Å; F379-F396 HydrophobicContact CZ-CZ 4.14Å; L392-F396 VanDerWaalsContact O-CB 3.23Å; L392-F396 WeakPolarHBondContact O-CB 3.32Å; L392-F396 PolarHBondContact O-N 3.22Å; I393-F396 PolarHBondContact O-N 2.97Å; F396-R398 VanDerWaalsContact C-N 3.33Å; F396-R398 PolarHBondContact O-N 3Å; F396-L399 PolarHBondContact O-N 2.85Å; F396-F400 HydrophobicContact CD1-CD2 4.43Å; F396-F400 AromaticContact CD2-CD2 3.71Å; F396-F400 HydrophobicContact CD2-CD2 3.71Å; F396-F400 AromaticContact CD2-CE2 3.66Å; F396-F400 HydrophobicContact CD2-CE2 3.66Å; F396-F400 HydrophobicContact CE1-CD2 4.23Å; F396-F400 AromaticContact CE2-CD2 3.48Å; F396-F400 HydrophobicContact CE2-CD2 3.48Å; F396-F400 VanDerWaalsContact CE2-CD2 3.48Å; F396-F400 AromaticContact CE2-CE2 3.4Å; F396-F400 HydrophobicContact CE2-CE2 3.4Å; F396-F400 VanDerWaalsContact CE2-CE2 3.4Å; F396-F400 HydrophobicContact CG-CD2 4.18Å; F396-F400 AromaticContact CZ-CD2 3.75Å; F396-F400 HydrophobicContact CZ-CD2 3.75Å; F396-F400 HydrophobicContact CZ-CE2 4.09Å; F396-F400 WeakPolarHBondContact O-CD2 3.36Å; F396-F400 PolarHBondContact O-N 3.01Å; F396-F400 VanDerWaalsContact O-N 3.12Å; F396-Y402 HydrophobicContact CE1-CD2 4.32Å; F396-Y402 HydrophobicContact CE1-CE2 4.39Å; F396-L446 HydrophobicContact CD1-CD2 4.04Å; F396-L446 HydrophobicContact CE1-CD1 4.33Å; F396-L446 HydrophobicContact CE1-CD2 4.27Å |
| 397 | A | 89.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I393 E394 R395 F400 N401 Y402 V404 L446 | I393-A397 WeakPolarHBondContact O-CB 3.42Å; I393-A397 PolarHBondContact O-N 3.15Å; E394-A397 PolarHBondContact O-N 3.46Å; R395-A397 PolarHBondContact O-N 3.18Å; A397-F400 CarbonylContact O-C 3.21Å; A397-F400 PolarHBondContact O-N 3.49Å; A397-N401 CarbonylContact O-C 3.55Å; A397-N401 PolarHBondContact O-N 2.96Å; A397-Y402 PolarHBondContact O-N 3.48Å; A397-V404 HydrophobicContact CB-CG2 3.18Å; A397-L446 HydrophobicContact CB-CD2 3.91Å |
| 398 | R | 85.4 | Confident | 84.8 | Confident | 109 Ų | 109 | 32.1 Ų | 32.1 | 41% | 0.411 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 175.3 | -72.8 | 178.9 | -173.3 | 158.7 | 6.5 | 113.2 | Y347 E394 R395 F396 F400 N401 | Y347-R398 HydrophobicContact CE1-CG 4.4Å; Y347-R398 HydrophobicContact CE2-CB 4.36Å; Y347-R398 HydrophobicContact CE2-CG 4.24Å; E394-R398 WeakPolarHBondContact O-CG 3.49Å; E394-R398 PolarHBondContact O-N 3.48Å; R395-R398 PolarHBondContact O-N 3.48Å; F396-R398 VanDerWaalsContact C-N 3.33Å; F396-R398 PolarHBondContact O-N 3Å; R398-F400 VanDerWaalsContact C-N 3.28Å; R398-F400 PolarHBondContact O-N 3.3Å; R398-N401 PolarHBondContact O-N 2.7Å; R398-N401 PolarHBondContact O-OD1 2.78Å |
| 399 | L | 86.5 | Confident | 85.1 | Confident | 37 Ų | 37 | 31.3 Ų | 31.3 | 19% | 0.194 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.9 | -32.9 | 179.3 | -73.2 | 175.9 | 0 | 0 | 0 | 112.6 | I314 L367 R395 F396 | I314-L399 HydrophobicContact CD1-CB 3.96Å; I314-L399 HydrophobicContact CD1-CD1 4.31Å; I314-L399 HydrophobicContact CD1-CD2 4Å; I314-L399 HydrophobicContact CD1-CG 4.3Å; L367-L399 HydrophobicContact CD1-CD1 4.39Å; R395-L399 HydrophobicContact CG-CD1 4.23Å; R395-L399 WeakPolarHBondContact O-CG 3.15Å; R395-L399 PolarHBondContact O-N 3.46Å; F396-L399 PolarHBondContact O-N 2.85Å |
| 400 | F | 89.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 15.2 | -178.4 | -65.2 | -68 | 0 | 0 | 0 | 113.8 | I314 A325 V327 V340 A342 G343 T371 F396 A397 R398 Y402 | I314-F400 HydrophobicContact CD1-CE1 4.49Å; I314-F400 HydrophobicContact CD1-CZ 4.4Å; I314-F400 HydrophobicContact CG2-CE1 4.4Å; A325-F400 HydrophobicContact CB-CD1 3.86Å; A325-F400 HydrophobicContact CB-CE1 3.98Å; V327-F400 HydrophobicContact CG2-CE1 3.67Å; V327-F400 HydrophobicContact CG2-CZ 4.07Å; V340-F400 HydrophobicContact CG2-CD1 3.81Å; V340-F400 HydrophobicContact CG2-CE1 3.37Å; V340-F400 HydrophobicContact CG2-CZ 4.09Å; A342-F400 CarbonylContact C-O 3.48Å; A342-F400 WeakPolarHBondContact CA-O 3.37Å; G343-F400 PolarHBondContact N-O 3.19Å; T371-F400 HydrophobicContact CG2-CE1 4.47Å; T371-F400 HydrophobicContact CG2-CE2 4.33Å; T371-F400 HydrophobicContact CG2-CZ 3.62Å; F396-F400 HydrophobicContact CD1-CD2 4.43Å; F396-F400 AromaticContact CD2-CD2 3.71Å; F396-F400 HydrophobicContact CD2-CD2 3.71Å; F396-F400 AromaticContact CD2-CE2 3.66Å; F396-F400 HydrophobicContact CD2-CE2 3.66Å; F396-F400 HydrophobicContact CE1-CD2 4.23Å; F396-F400 AromaticContact CE2-CD2 3.48Å; F396-F400 HydrophobicContact CE2-CD2 3.48Å; F396-F400 VanDerWaalsContact CE2-CD2 3.48Å; F396-F400 AromaticContact CE2-CE2 3.4Å; F396-F400 HydrophobicContact CE2-CE2 3.4Å; F396-F400 VanDerWaalsContact CE2-CE2 3.4Å; F396-F400 HydrophobicContact CG-CD2 4.18Å; F396-F400 AromaticContact CZ-CD2 3.75Å; F396-F400 HydrophobicContact CZ-CD2 3.75Å; F396-F400 HydrophobicContact CZ-CE2 4.09Å; F396-F400 WeakPolarHBondContact O-CD2 3.36Å; F396-F400 PolarHBondContact O-N 3.01Å; F396-F400 VanDerWaalsContact O-N 3.12Å; A397-F400 CarbonylContact O-C 3.21Å; A397-F400 PolarHBondContact O-N 3.49Å; R398-F400 VanDerWaalsContact C-N 3.28Å; R398-F400 PolarHBondContact O-N 3.3Å; F400-Y402 VanDerWaalsContact C-N 3.31Å; F400-Y402 HydrophobicContact CB-CD2 3.6Å; F400-Y402 HydrophobicContact CB-CE2 3.53Å; F400-Y402 HydrophobicContact CG-CE2 4.46Å; F400-Y402 PolarHBondContact O-N 3.36Å |
| 401 | N | 88.1 | Confident | 83.5 | Confident | 22 Ų | 22 | 36.4 Ų | 36.4 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 33.9 | 176.5 | -70.5 | 5.2 | 0 | 0 | 0 | 115.5 | I316 G343 N344 L345 Y347 A397 R398 | I316-N401 HydrophobicContact CD1-CB 4.23Å; G343-N401 CarbonylContact C-O 3.08Å; G343-N401 WeakPolarHBondContact CA-O 3.34Å; N344-N401 PolarHBondContact N-O 2.91Å; L345-N401 WeakPolarHBondContact CB-O 3.49Å; L345-N401 PolarHBondContact N-O 2.95Å; L345-N401 VanDerWaalsContact N-O 3.12Å; L345-N401 WeakPolarHBondContact O-CB 3.37Å; L345-N401 VanDerWaalsContact O-CG 3.28Å; L345-N401 PolarHBondContact O-ND2 3.2Å; Y347-N401 WeakPolarHBondContact CD2-OD1 3.19Å; A397-N401 CarbonylContact O-C 3.55Å; A397-N401 PolarHBondContact O-N 2.96Å; R398-N401 PolarHBondContact O-N 2.7Å; R398-N401 PolarHBondContact O-OD1 2.78Å |
| 402 | Y | 89.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -87.7 | 140 | 176.2 | -74.9 | -67.4 | 0 | 0 | 0 | 113.1 | R341 Y347 H374 F396 A397 F400 L446 S511 R513 | R341-Y402 VanDerWaalsContact C-OH 3.3Å; R341-Y402 PolarHBondContact O-OH 2.96Å; Y347-Y402 PolarHBondContact OH-O 2.85Å; H374-Y402 AromaticContact CE1-CE2 3.84Å; H374-Y402 AromaticContact NE2-CE2 3.7Å; H374-Y402 AromaticContact NE2-CZ 3.74Å; H374-Y402 PolarHBondContact NE2-OH 3.37Å; H374-Y402 VanDerWaalsContact NE2-OH 3.12Å; F396-Y402 HydrophobicContact CE1-CD2 4.32Å; F396-Y402 HydrophobicContact CE1-CE2 4.39Å; A397-Y402 PolarHBondContact O-N 3.48Å; F400-Y402 VanDerWaalsContact C-N 3.31Å; F400-Y402 HydrophobicContact CB-CD2 3.6Å; F400-Y402 HydrophobicContact CB-CE2 3.53Å; F400-Y402 HydrophobicContact CG-CE2 4.46Å; F400-Y402 PolarHBondContact O-N 3.36Å; Y402-L446 HydrophobicContact CD1-CB 4.13Å; Y402-L446 HydrophobicContact CG-CB 3.91Å; Y402-S511 WeakPolarHBondContact CE1-O 3.35Å; Y402-R513 HydrophobicContact CE1-CG 4.47Å |
| 403 | E | 83.7 | Confident | 81.9 | Confident | 75 Ų | 75 | 36.7 Ų | 36.7 | 35% | 0.35 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -82 | 132.1 | 163.2 | -164.2 | 177.3 | 150 | 0 | 0 | 108.6 | L345 Y445 L446 | L345-E403 VanDerWaalsContact CD1-CA 3.48Å; L345-E403 HydrophobicContact CD1-CB 3.52Å; L345-E403 HydrophobicContact CD1-CG 4Å; L345-E403 HydrophobicContact CG-CB 4.41Å; E403-Y445 HydrophobicContact CB-CD1 3.66Å; E403-Y445 HydrophobicContact CB-CE1 4.03Å; E403-Y445 HydrophobicContact CB-CG 4.16Å; E403-Y445 HydrophobicContact CG-CD1 4.36Å; E403-Y445 HydrophobicContact CG-CE1 4.43Å; E403-Y445 WeakPolarHBondContact OE2-CE1 3.34Å; E403-Y445 PolarHBondContact OE2-OH 3.12Å; E403-L446 PolarHBondContact O-N 2.89Å |
| 404 | V | 82.9 | Confident | 81.1 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 28% | 0.279 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.1 | -174.7 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | A397 L446 V448 | A397-V404 HydrophobicContact CB-CG2 3.18Å; V404-L446 WeakPolarHBondContact CA-O 3.47Å; V404-L446 HydrophobicContact CG2-CD2 4.33Å; V404-V448 HydrophobicContact CG1-CG2 3.56Å |
| 405 | V | 82.6 | Confident | 80.6 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 6% | 0.055 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 112 | 169.8 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | P436 Y445 L446 C447 V448 F833 | V405-P436 HydrophobicContact CG1-CB 3.66Å; V405-Y445 HydrophobicContact CG2-CD2 3.75Å; V405-Y445 HydrophobicContact CG2-CG 4.3Å; V405-L446 PolarHBondContact N-O 3.28Å; V405-C447 CarbonylContact O-C 3.59Å; V405-C447 VanDerWaalsContact O-CA 3.29Å; V405-C447 WeakPolarHBondContact O-CA 3.27Å; V405-V448 PolarHBondContact O-N 3.38Å; V405-F833 HydrophobicContact CG1-CZ 4.33Å |
| 406 | S | 78.9 | Confident | 80.2 | Confident | 28 Ų | 28 | 32.1 Ų | 32.1 | 20% | 0.196 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.9 | 178.7 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | F833 | S406-F833 WeakPolarHBondContact O-CE2 3.49Å |
| 407 | L | 81.1 | Confident | 79.6 | Confident | 14 Ų | 14 | 33.8 Ų | 33.8 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 113 | 172.7 | -176.8 | 69.8 | 0 | 0 | 0 | 108.2 | L409 L418 P436 L437 V448 L449 D450 | L407-L409 HydrophobicContact CD2-CD2 4.18Å; L407-L409 HydrophobicContact CG-CD2 4.26Å; L407-L418 HydrophobicContact CD2-CD2 3.97Å; L407-P436 HydrophobicContact CD1-CB 4.49Å; L407-P436 HydrophobicContact CD1-CG 4.15Å; L407-L437 HydrophobicContact CD2-CB 4.4Å; L407-V448 PolarHBondContact N-O 3.47Å; L407-L449 HydrophobicContact CB-CD2 4.17Å; L407-L449 HydrophobicContact CD2-CD2 3.86Å; L407-L449 HydrophobicContact CG-CD2 4.5Å; L407-D450 PolarHBondContact O-N 3.38Å |
| 408 | M | 76.2 | Confident | 79.3 | Confident | 31 Ų | 31 | 33.7 Ų | 33.7 | 15% | 0.153 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 128.1 | 177.4 | -177.6 | 64.9 | -179.3 | 0 | 0 | 110.3 | D450 C821 T825 | M408-D450 HydrophobicContact SD-CB 3.88Å; M408-C821 HydrophobicContact CE-CB 3.8Å; M408-T825 HydrophobicContact CB-CG2 3.61Å; M408-T825 HydrophobicContact CG-CG2 3.67Å; M408-T825 HydrophobicContact SD-CG2 4.21Å |
| 409 | L | 81.2 | Confident | 79.4 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | trans | -97.9 | 144.7 | -176.7 | -56.1 | 174.7 | 0 | 0 | 0 | 111.5 | L407 M413 L418 L449 D450 I452 T454 L455 | L407-L409 HydrophobicContact CD2-CD2 4.18Å; L407-L409 HydrophobicContact CG-CD2 4.26Å; L409-M413 HydrophobicContact CB-SD 4.39Å; L409-M413 HydrophobicContact CD2-CE 4.21Å; L409-M413 HydrophobicContact CD2-SD 3.71Å; L409-L418 HydrophobicContact CD2-CD2 3.7Å; L409-L449 HydrophobicContact CD1-CB 3.86Å; L409-L449 HydrophobicContact CD2-CD2 4.44Å; L409-D450 WeakPolarHBondContact CB-O 3.47Å; L409-D450 PolarHBondContact N-O 2.92Å; L409-I452 HydrophobicContact CD1-CB 4.31Å; L409-I452 HydrophobicContact CD1-CG2 3.61Å; L409-T454 PolarHBondContact O-OG1 2.92Å; L409-L455 HydrophobicContact CB-CD1 4.1Å; L409-L455 HydrophobicContact CB-CD2 4.08Å; L409-L455 HydrophobicContact CB-CG 3.8Å; L409-L455 HydrophobicContact CD1-CD1 3.41Å; L409-L455 VanDerWaalsContact CD1-CD1 3.41Å; L409-L455 HydrophobicContact CD1-CG 4Å; L409-L455 HydrophobicContact CD2-CD1 3.93Å; L409-L455 HydrophobicContact CD2-CD2 4.4Å; L409-L455 HydrophobicContact CD2-CG 4.42Å; L409-L455 HydrophobicContact CG-CD1 4Å; L409-L455 HydrophobicContact CG-CG 4.28Å | ||
| 410 | Y | 70 | Confident | 79.4 | Confident | 45 Ų | 45 | 27 Ų | 27 | 18% | 0.176 | 14% | 0.137 | C | C | . | . | trans | -143.5 | 154.9 | 177.5 | 53.9 | -90.7 | 0 | 0 | 0 | 111.1 | D412 M413 L455 N818 I822 | Y410-D412 VanDerWaalsContact C-N 3.25Å; Y410-D412 HydrophobicContact CD2-CB 4.11Å; Y410-D412 HydrophobicContact CE2-CB 4.29Å; Y410-D412 PolarHBondContact O-N 3.47Å; Y410-D412 VanDerWaalsContact O-N 3.13Å; Y410-M413 HydrophobicContact CD1-CG 3.53Å; Y410-M413 HydrophobicContact CD1-SD 3.75Å; Y410-M413 HydrophobicContact CD2-CB 4.34Å; Y410-M413 HydrophobicContact CD2-CG 3.55Å; Y410-M413 HydrophobicContact CE1-CG 3.27Å; Y410-M413 HydrophobicContact CE1-SD 3.62Å; Y410-M413 HydrophobicContact CE2-CB 4.15Å; Y410-M413 HydrophobicContact CE2-CG 3.29Å; Y410-M413 HydrophobicContact CG-CG 3.66Å; Y410-M413 HydrophobicContact CG-SD 4.34Å; Y410-M413 WeakPolarHBondContact O-CB 3.34Å; Y410-M413 PolarHBondContact O-N 2.83Å; Y410-L455 WeakPolarHBondContact O-CD2 3.42Å; Y410-N818 HydrophobicContact CD2-CB 4.4Å; Y410-N818 HydrophobicContact CG-CB 4.44Å; Y410-I822 HydrophobicContact CD1-CD1 4.22Å; Y410-I822 HydrophobicContact CE1-CD1 4.16Å | ||
| 411 | E | 65.4 | Low | 78.8 | Confident | 119 Ų | 119 | 29.6 Ų | 29.6 | 56% | 0.556 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -34.8 | -170.2 | -167.6 | 178.7 | 174.4 | 0 | 0 | 114.7 | T454 | E411-T454 WeakPolarHBondContact CA-O 3.13Å; E411-T454 WeakPolarHBondContact CB-O 3.47Å |
| 412 | D | 64.6 | Low | 78.4 | Confident | 64 Ų | 64 | 29.3 Ų | 29.3 | 34% | 0.342 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1.6 | -179.6 | -66.5 | -29.4 | 0 | 0 | 0 | 114.4 | Y410 N414 N818 | Y410-D412 VanDerWaalsContact C-N 3.25Å; Y410-D412 HydrophobicContact CD2-CB 4.11Å; Y410-D412 HydrophobicContact CE2-CB 4.29Å; Y410-D412 PolarHBondContact O-N 3.47Å; Y410-D412 VanDerWaalsContact O-N 3.13Å; D412-N414 PolarHBondContact O-N 3.42Å; D412-N414 PolarHBondContact O-OD1 3.25Å; D412-N818 PolarHBondContact OD2-ND2 2.73Å |
| 413 | M | 70.6 | Confident | 77.6 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.03 | 15% | 0.153 | C | C | . | . | trans | -64.1 | 132.3 | 177.2 | -79.7 | -171.8 | 76 | 0 | 0 | 111.1 | L409 Y410 D417 L418 L455 | L409-M413 HydrophobicContact CB-SD 4.39Å; L409-M413 HydrophobicContact CD2-CE 4.21Å; L409-M413 HydrophobicContact CD2-SD 3.71Å; Y410-M413 HydrophobicContact CD1-CG 3.53Å; Y410-M413 HydrophobicContact CD1-SD 3.75Å; Y410-M413 HydrophobicContact CD2-CB 4.34Å; Y410-M413 HydrophobicContact CD2-CG 3.55Å; Y410-M413 HydrophobicContact CE1-CG 3.27Å; Y410-M413 HydrophobicContact CE1-SD 3.62Å; Y410-M413 HydrophobicContact CE2-CB 4.15Å; Y410-M413 HydrophobicContact CE2-CG 3.29Å; Y410-M413 HydrophobicContact CG-CG 3.66Å; Y410-M413 HydrophobicContact CG-SD 4.34Å; Y410-M413 WeakPolarHBondContact O-CB 3.34Å; Y410-M413 PolarHBondContact O-N 2.83Å; M413-D417 HydrophobicContact CE-CB 3.94Å; M413-L418 HydrophobicContact CE-CD2 3.49Å; M413-L418 VanDerWaalsContact CE-CD2 3.49Å; M413-L418 HydrophobicContact CE-CG 3.97Å; M413-L418 HydrophobicContact SD-CD2 4.4Å; M413-L455 HydrophobicContact CB-CD2 3.79Å; M413-L455 HydrophobicContact CG-CD2 4.48Å; M413-L455 HydrophobicContact SD-CD2 4.43Å | ||
| 414 | N | 73.8 | Confident | 77.1 | Confident | 27 Ų | 27 | 29.2 Ų | 29.2 | 14% | 0.144 | 15% | 0.145 | C | C | . | . | trans | -97.2 | 167.8 | 176.2 | -65.8 | -24.5 | 0 | 0 | 0 | 111.6 | D75 D412 R416 D417 L418 H1184 | D75-N414 PolarHBondContact OD1-OD1 3.36Å; D75-N414 WeakPolarHBondContact OD2-CA 3.41Å; D75-N414 VanDerWaalsContact OD2-CB 3.32Å; D75-N414 WeakPolarHBondContact OD2-CB 3.37Å; D412-N414 PolarHBondContact O-N 3.42Å; D412-N414 PolarHBondContact O-OD1 3.25Å; N414-R416 PolarHBondContact O-N 3.36Å; N414-D417 PolarHBondContact N-OD2 3.29Å; N414-D417 PolarHBondContact O-N 3.05Å; N414-D417 VanDerWaalsContact O-N 3.14Å; N414-L418 PolarHBondContact O-N 2.7Å; N414-H1184 PolarHBondContact ND2-CE1 2.77Å | ||
| 415 | S | 76.2 | Confident | 76.6 | Confident | 14 Ų | 14 | 32 Ų | 32 | 10% | 0.098 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.2 | -35.3 | 174.3 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | D75 L418 L419 | D75-S415 PolarHBondContact OD2-N 3.27Å; D75-S415 VanDerWaalsContact OD2-N 3.13Å; S415-L418 PolarHBondContact O-N 3.29Å; S415-L419 PolarHBondContact O-N 2.82Å |
| 416 | R | 78.2 | Confident | 75.9 | Confident | 26 Ų | 26 | 37.8 Ų | 37.8 | 10% | 0.098 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 176.8 | -65.4 | -176.1 | 178.5 | -179.9 | -0.1 | 112.1 | D80 N414 L418 L419 Q420 E1197 E1202 | D80-R416 IonicContact OD1-CZ 2.68Å; D80-R416 IonicContact OD1-NH2 3.47Å; D80-R416 PolarHBondContact OD1-NH2 3.34Å; D80-R416 IonicContact OD2-NH2 3.11Å; D80-R416 PolarHBondContact OD2-NH2 3.19Å; D80-R416 VanDerWaalsContact OD2-NH2 3.15Å; N414-R416 PolarHBondContact O-N 3.36Å; R416-L418 VanDerWaalsContact C-N 3.31Å; R416-L418 PolarHBondContact O-N 2.88Å; R416-L419 PolarHBondContact O-N 3.14Å; R416-Q420 CarbonylContact C-O 3.41Å; R416-Q420 CarbonylContact O-C 3.56Å; R416-Q420 PolarHBondContact O-N 2.79Å; R416-E1197 IonicContact NH1-OE1 3.52Å; R416-E1202 IonicContact CZ-OE1 3.14Å; R416-E1202 IonicContact NH1-OE1 2.73Å; R416-E1202 PolarHBondContact NH1-OE1 3.48Å; R416-E1202 IonicContact NH1-OE2 2.95Å; R416-E1202 PolarHBondContact NH1-OE2 3.42Å; R416-E1202 IonicContact NH2-OE1 2.64Å; R416-E1202 PolarHBondContact NH2-OE1 3.24Å; R416-E1202 IonicContact NH2-OE2 3.3Å |
| 417 | D | 78.1 | Confident | 75.7 | Confident | 35 Ų | 35 | 41.4 Ų | 41.4 | 19% | 0.187 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -34.1 | 178.7 | -58.6 | -48.9 | 0 | 0 | 0 | 112.7 | M413 N414 Q421 | M413-D417 HydrophobicContact CE-CB 3.94Å; N414-D417 PolarHBondContact N-OD2 3.29Å; N414-D417 PolarHBondContact O-N 3.05Å; N414-D417 VanDerWaalsContact O-N 3.14Å; D417-Q421 PolarHBondContact OD1-NE2 2.91Å |
| 418 | L | 83.5 | Confident | 75.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.7 | -27.5 | 178.1 | -71.1 | 173 | 0 | 0 | 0 | 112.9 | L407 L409 M413 N414 S415 R416 S435 A459 | L407-L418 HydrophobicContact CD2-CD2 3.97Å; L409-L418 HydrophobicContact CD2-CD2 3.7Å; M413-L418 HydrophobicContact CE-CD2 3.49Å; M413-L418 VanDerWaalsContact CE-CD2 3.49Å; M413-L418 HydrophobicContact CE-CG 3.97Å; M413-L418 HydrophobicContact SD-CD2 4.4Å; N414-L418 PolarHBondContact O-N 2.7Å; S415-L418 PolarHBondContact O-N 3.29Å; R416-L418 VanDerWaalsContact C-N 3.31Å; R416-L418 PolarHBondContact O-N 2.88Å; L418-S435 WeakPolarHBondContact O-CB 3.34Å; L418-S435 PolarHBondContact O-OG 3.09Å; L418-A459 HydrophobicContact CD1-CB 4.06Å |
| 419 | L | 87.4 | Confident | 75.4 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -116.5 | -65.9 | -170.8 | -55.1 | -177.1 | 0 | 0 | 0 | 113.3 | S415 R416 S435 L437 V438 M462 L472 L474 | S415-L419 PolarHBondContact O-N 2.82Å; R416-L419 PolarHBondContact O-N 3.14Å; L419-S435 VanDerWaalsContact O-CB 3.24Å; L419-S435 WeakPolarHBondContact O-CB 3.37Å; L419-S435 PolarHBondContact O-N 3Å; L419-S435 PolarHBondContact O-OG 3.48Å; L419-L437 HydrophobicContact CD2-CD2 4.38Å; L419-V438 WeakPolarHBondContact O-CG2 3.45Å; L419-M462 HydrophobicContact CD1-CE 3.41Å; L419-M462 VanDerWaalsContact CD1-CE 3.41Å; L419-L472 HydrophobicContact CD1-CD1 3.92Å; L419-L472 HydrophobicContact CD2-CD1 3.83Å; L419-L472 HydrophobicContact CD2-CD2 3.9Å; L419-L472 HydrophobicContact CD2-CG 4.44Å; L419-L474 HydrophobicContact CB-CD2 4.18Å |
| 420 | Q | 85.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 127.7 | -176.1 | -91.3 | -170.9 | -20.2 | 0 | 0 | 110.6 | R416 W432 E433 N434 L474 D476 | R416-Q420 CarbonylContact C-O 3.41Å; R416-Q420 CarbonylContact O-C 3.56Å; R416-Q420 PolarHBondContact O-N 2.79Å; Q420-W432 HydrophobicContact CB-CE3 4.19Å; Q420-E433 VanDerWaalsContact CA-O 3.29Å; Q420-E433 WeakPolarHBondContact CA-O 3.3Å; Q420-N434 PolarHBondContact NE2-OD1 3.05Å; Q420-L474 HydrophobicContact CG-CD1 4.25Å; Q420-L474 HydrophobicContact CG-CD2 4.02Å; Q420-D476 VanDerWaalsContact NE2-CG 3.34Å; Q420-D476 PolarHBondContact NE2-OD2 3.28Å; Q420-D476 PolarHBondContact OE1-OD1 2.99Å |
| 421 | Q | 78.8 | Confident | 76 | Confident | 55 Ų | 55 | 41.7 Ų | 41.7 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 145.6 | 175.8 | -69.2 | 179.3 | -20.1 | 0 | 0 | 110.2 | D417 E433 | D417-Q421 PolarHBondContact OD1-NE2 2.91Å; Q421-E433 PolarHBondContact N-O 2.83Å; Q421-E433 PolarHBondContact O-N 3.24Å |
| 422 | R | 77.6 | Confident | 76.9 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 6% | 0.064 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.3 | 174.3 | -166.4 | -179.2 | -65.5 | 159.7 | 7.8 | 109.2 | W432 V1196 T1200 E1202 | R422-W432 HydrophobicContact CB-CD2 4.46Å; R422-W432 HydrophobicContact CB-CE3 4Å; R422-W432 HydrophobicContact CB-CH2 4.22Å; R422-W432 HydrophobicContact CB-CZ3 3.86Å; R422-V1196 HydrophobicContact CB-CG1 4.44Å; R422-V1196 HydrophobicContact CG-CG1 3.93Å; R422-T1200 PolarHBondContact NH1-OG1 3.22Å; R422-E1202 IonicContact NH1-OE1 2.76Å |
| 423 | R | 74.3 | Confident | 77.7 | Confident | 34 Ų | 34 | 38 Ų | 38 | 13% | 0.128 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 164.6 | 177.9 | -67.8 | -132.7 | -176.6 | 108.9 | 15.7 | 112 | T430 V431 E433 P835 D836 | R423-T430 CarbonylContact O-C 3.46Å; R423-T430 VanDerWaalsContact O-CA 3.25Å; R423-T430 WeakPolarHBondContact O-CA 3.34Å; R423-V431 HydrophobicContact CB-CG2 4.33Å; R423-V431 PolarHBondContact N-O 3.05Å; R423-V431 PolarHBondContact O-N 3.35Å; R423-E433 IonicContact CZ-OE1 3.51Å; R423-E433 IonicContact CZ-OE2 3.89Å; R423-E433 IonicContact NH1-OE1 3.48Å; R423-E433 PolarHBondContact NH1-OE1 3.09Å; R423-E433 IonicContact NH1-OE2 2.95Å; R423-E433 PolarHBondContact NH1-OE2 3.34Å; R423-E433 IonicContact NH2-OE1 3.43Å; R423-P835 PolarHBondContact NE-O 2.87Å; R423-P835 VanDerWaalsContact NH2-C 3.28Å; R423-P835 PolarHBondContact NH2-O 2.77Å; R423-D836 PolarHBondContact NH1-O 3.04Å; R423-D836 VanDerWaalsContact NH2-C 3.26Å |
| 424 | M | 71.3 | Confident | 78.5 | Confident | 38 Ų | 38 | 39.8 Ų | 39.8 | 19% | 0.187 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.6 | 168.7 | -74.2 | 177.8 | 53.3 | 0 | 0 | 110.2 | D429 T430 L773 V1196 I1199 | M424-D429 CarbonylContact C-O 3.49Å; M424-D429 VanDerWaalsContact CA-O 3.32Å; M424-D429 WeakPolarHBondContact CA-O 3.44Å; M424-T430 HydrophobicContact CG-CG2 4.14Å; M424-L773 HydrophobicContact CE-CD1 4.03Å; M424-L773 HydrophobicContact SD-CD1 3.66Å; M424-V1196 HydrophobicContact CG-CG1 3.96Å; M424-V1196 HydrophobicContact CG-CG2 4.17Å; M424-V1196 HydrophobicContact SD-CG1 4.49Å; M424-V1196 HydrophobicContact SD-CG2 4.4Å; M424-I1199 HydrophobicContact SD-CD1 3.92Å; M424-I1199 HydrophobicContact SD-CG2 4.44Å |
| 425 | K | 73.7 | Confident | 79.1 | Confident | 104 Ų | 104 | 38.9 Ų | 38.9 | 45% | 0.452 | 21% | 0.206 | S | C | . | . | trans | -69.7 | 160.1 | 167.1 | -79.6 | 174.2 | 168.7 | 163.6 | 0 | 110 | N427 G428 D429 V431 | K425-N427 WeakPolarHBondContact CB-OD1 3.46Å; K425-N427 PolarHBondContact O-N 3.5Å; K425-G428 PolarHBondContact O-N 2.8Å; K425-D429 HydrophobicContact CB-CB 4.46Å; K425-D429 HydrophobicContact CD-CB 4.36Å; K425-D429 PolarHBondContact N-O 3.4Å; K425-V431 HydrophobicContact CD-CG1 3.69Å; K425-V431 HydrophobicContact CG-CG1 4.01Å; K425-V431 HydrophobicContact CG-CG2 4Å | ||
| 426 | P | 67.9 | Low | 79.4 | Confident | 132 Ų | 132 | 39.3 Ų | 39.3 | 86% | 0.857 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -21.6 | 175.6 | -25.7 | 34.3 | 0 | 0 | 0 | 114.7 | G428 | P426-G428 VanDerWaalsContact C-N 3.29Š|
| 427 | N | 74 | Confident | 80 | Confident | 104 Ų | 104 | 38.1 Ų | 38.1 | 56% | 0.556 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -1 | 175.3 | 71.1 | -17.3 | 0 | 0 | 0 | 113.9 | K425 D429 | K425-N427 WeakPolarHBondContact CB-OD1 3.46Å; K425-N427 PolarHBondContact O-N 3.5Å; N427-D429 VanDerWaalsContact ND2-CG 3.34Å; N427-D429 PolarHBondContact ND2-OD2 3.36Å; N427-D429 WeakPolarHBondContact OD1-CB 3.24Å; N427-D429 PolarHBondContact OD1-N 2.89Å |
| 428 | G | 70.7 | Confident | 80.7 | Confident | 24 Ų | 24 | 36.4 Ų | 36.4 | 25% | 0.247 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 92 | -5.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K425 P426 | K425-G428 PolarHBondContact O-N 2.8Å; P426-G428 VanDerWaalsContact C-N 3.29Å |
| 429 | D | 80.3 | Confident | 80.9 | Confident | 21 Ų | 21 | 39.5 Ų | 39.5 | 11% | 0.112 | 21% | 0.211 | C | C | . | . | trans | -75.5 | 140.9 | -179.2 | -68.3 | -16.9 | 0 | 0 | 0 | 111.8 | I87 S89 M424 K425 N427 | I87-D429 CarbonylContact O-C 3.48Å; I87-D429 WeakPolarHBondContact O-CA 3.34Å; S89-D429 WeakPolarHBondContact CA-OD1 3.44Å; S89-D429 PolarHBondContact N-OD1 2.9Å; M424-D429 CarbonylContact C-O 3.49Å; M424-D429 VanDerWaalsContact CA-O 3.32Å; M424-D429 WeakPolarHBondContact CA-O 3.44Å; K425-D429 HydrophobicContact CB-CB 4.46Å; K425-D429 HydrophobicContact CD-CB 4.36Å; K425-D429 PolarHBondContact N-O 3.4Å; N427-D429 VanDerWaalsContact ND2-CG 3.34Å; N427-D429 PolarHBondContact ND2-OD2 3.36Å; N427-D429 WeakPolarHBondContact OD1-CB 3.24Å; N427-D429 PolarHBondContact OD1-N 2.89Å | ||
| 430 | T | 81.3 | Confident | 81.1 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 134.8 | 174.7 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | I87 R423 M424 V1196 T1200 | I87-T430 HydrophobicContact CB-CG2 3.99Å; I87-T430 HydrophobicContact CD1-CG2 4.34Å; I87-T430 HydrophobicContact CG1-CG2 4.25Å; I87-T430 PolarHBondContact N-OG1 2.99Å; I87-T430 PolarHBondContact O-N 2.88Å; I87-T430 PolarHBondContact O-OG1 2.84Å; R423-T430 CarbonylContact O-C 3.46Å; R423-T430 VanDerWaalsContact O-CA 3.25Å; R423-T430 WeakPolarHBondContact O-CA 3.34Å; M424-T430 HydrophobicContact CG-CG2 4.14Å; T430-V1196 HydrophobicContact CG2-CG1 4.34Å; T430-T1200 HydrophobicContact CG2-CG2 3.56Å |
| 431 | V | 82.8 | Confident | 81.4 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 24% | 0.242 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 155.8 | 173.7 | -68.8 | 0 | 0 | 0 | 0 | 111.5 | R423 K425 | R423-V431 HydrophobicContact CB-CG2 4.33Å; R423-V431 PolarHBondContact N-O 3.05Å; R423-V431 PolarHBondContact O-N 3.35Å; K425-V431 HydrophobicContact CD-CG1 3.69Å; K425-V431 HydrophobicContact CG-CG1 4.01Å; K425-V431 HydrophobicContact CG-CG2 4Å |
| 432 | W | 84.7 | Confident | 82 | Confident | 40 Ų | 40 | 39 Ų | 39 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 134 | 173.9 | -66.9 | 98.7 | 0 | 0 | 0 | 109.8 | E86 Q420 R422 C475 D476 | E86-W432 PolarHBondContact OE1-NE1 3.13Å; Q420-W432 HydrophobicContact CB-CE3 4.19Å; R422-W432 HydrophobicContact CB-CD2 4.46Å; R422-W432 HydrophobicContact CB-CE3 4Å; R422-W432 HydrophobicContact CB-CH2 4.22Å; R422-W432 HydrophobicContact CB-CZ3 3.86Å; W432-C475 HydrophobicContact CD2-CB 4.23Å; W432-C475 HydrophobicContact CE3-CB 3.82Å; W432-C475 HydrophobicContact CH2-CB 3.41Å; W432-C475 VanDerWaalsContact CH2-CB 3.41Å; W432-C475 HydrophobicContact CZ2-CB 3.86Å; W432-C475 HydrophobicContact CZ3-CB 3.41Å; W432-C475 VanDerWaalsContact CZ3-CB 3.41Å; W432-D476 HydrophobicContact CB-CB 3.95Å; W432-D476 HydrophobicContact CG-CB 3.78Å |
| 433 | E | 81 | Confident | 82.5 | Confident | 65 Ų | 65 | 41.8 Ų | 41.8 | 30% | 0.304 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132.4 | 178.8 | -167.8 | 171.5 | 133.1 | 0 | 0 | 110.3 | Q420 Q421 R423 G837 | Q420-E433 VanDerWaalsContact CA-O 3.29Å; Q420-E433 WeakPolarHBondContact CA-O 3.3Å; Q421-E433 PolarHBondContact N-O 2.83Å; Q421-E433 PolarHBondContact O-N 3.24Å; R423-E433 IonicContact CZ-OE1 3.51Å; R423-E433 IonicContact CZ-OE2 3.89Å; R423-E433 IonicContact NH1-OE1 3.48Å; R423-E433 PolarHBondContact NH1-OE1 3.09Å; R423-E433 IonicContact NH1-OE2 2.95Å; R423-E433 PolarHBondContact NH1-OE2 3.34Å; R423-E433 IonicContact NH2-OE1 3.43Å; E433-G837 VanDerWaalsContact OE1-CA 3.29Å; E433-G837 WeakPolarHBondContact OE1-CA 3.24Å |
| 434 | N | 87.9 | Confident | 83.2 | Confident | 45 Ų | 45 | 40.3 Ų | 40.3 | 24% | 0.241 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 135.7 | -179 | -71 | -16.9 | 0 | 0 | 0 | 111 | Q420 V438 N439 | Q420-N434 PolarHBondContact NE2-OD1 3.05Å; N434-V438 HydrophobicContact CB-CB 4.02Å; N434-V438 HydrophobicContact CB-CG1 3.86Å; N434-N439 WeakPolarHBondContact CB-OD1 3.47Å; N434-N439 PolarHBondContact O-ND2 2.99Å |
| 435 | S | 85.5 | Confident | 84.1 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | trans | -66.7 | 163.6 | 170.9 | 78.8 | 0 | 0 | 0 | 0 | 111.3 | L418 L419 L437 V438 N439 | L418-S435 WeakPolarHBondContact O-CB 3.34Å; L418-S435 PolarHBondContact O-OG 3.09Å; L419-S435 VanDerWaalsContact O-CB 3.24Å; L419-S435 WeakPolarHBondContact O-CB 3.37Å; L419-S435 PolarHBondContact O-N 3Å; L419-S435 PolarHBondContact O-OG 3.48Å; S435-L437 PolarHBondContact O-N 2.99Å; S435-L437 VanDerWaalsContact O-N 3.16Å; S435-L437 PolarHBondContact OG-N 3.27Å; S435-V438 PolarHBondContact O-N 3.02Å; S435-V438 PolarHBondContact OG-N 3.35Å; S435-N439 PolarHBondContact O-N 3.14Å; S435-N439 PolarHBondContact O-ND2 2.81Å | ||
| 436 | P | 83.6 | Confident | 85 | Confident | 24 Ų | 24 | 36.3 Ų | 36.3 | 16% | 0.156 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.9 | -31.3 | 173.4 | -26 | 35.9 | 0 | 0 | 0 | 113.3 | V405 L407 A440 F833 | V405-P436 HydrophobicContact CG1-CB 3.66Å; L407-P436 HydrophobicContact CD1-CB 4.49Å; L407-P436 HydrophobicContact CD1-CG 4.15Å; P436-A440 VanDerWaalsContact O-CB 3.26Å; P436-A440 WeakPolarHBondContact O-CB 3.33Å; P436-A440 PolarHBondContact O-N 2.92Å; P436-F833 HydrophobicContact CB-CE1 4.09Å; P436-F833 HydrophobicContact CB-CZ 3.94Å; P436-F833 HydrophobicContact CG-CD1 3.78Å; P436-F833 HydrophobicContact CG-CE1 3.44Å; P436-F833 VanDerWaalsContact CG-CE1 3.44Å; P436-F833 HydrophobicContact CG-CE2 4.27Å; P436-F833 HydrophobicContact CG-CG 4.32Å; P436-F833 HydrophobicContact CG-CZ 3.71Å |
| 437 | L | 90.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67 | -44.2 | 176.1 | 176.5 | 65.7 | 0 | 0 | 0 | 111.7 | L407 L419 S435 A440 A441 C447 L463 L466 F512 I514 | L407-L437 HydrophobicContact CD2-CB 4.4Å; L419-L437 HydrophobicContact CD2-CD2 4.38Å; S435-L437 PolarHBondContact O-N 2.99Å; S435-L437 VanDerWaalsContact O-N 3.16Å; S435-L437 PolarHBondContact OG-N 3.27Å; L437-A440 PolarHBondContact O-N 3.12Å; L437-A441 PolarHBondContact O-N 3.42Å; L437-C447 HydrophobicContact CD1-CB 4.01Å; L437-L463 HydrophobicContact CD2-CD2 3.45Å; L437-L463 VanDerWaalsContact CD2-CD2 3.45Å; L437-L466 HydrophobicContact CD1-CD2 3.94Å; L437-L466 HydrophobicContact CD2-CD2 3.84Å; L437-L466 HydrophobicContact CG-CD2 3.83Å; L437-F512 HydrophobicContact CD1-CE2 4.41Å; L437-F512 HydrophobicContact CD1-CZ 3.94Å; L437-I514 HydrophobicContact CD1-CD1 4.09Å; L437-I514 HydrophobicContact CD1-CG1 4.32Å |
| 438 | V | 91.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.1 | -41.7 | 177.5 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | L419 N434 S435 A440 A441 L442 L472 L474 L480 | L419-V438 WeakPolarHBondContact O-CG2 3.45Å; N434-V438 HydrophobicContact CB-CB 4.02Å; N434-V438 HydrophobicContact CB-CG1 3.86Å; S435-V438 PolarHBondContact O-N 3.02Å; S435-V438 PolarHBondContact OG-N 3.35Å; V438-A440 VanDerWaalsContact C-N 3.32Å; V438-A440 PolarHBondContact O-N 2.83Å; V438-A441 WeakPolarHBondContact O-CB 3.48Å; V438-A441 PolarHBondContact O-N 2.98Å; V438-A441 VanDerWaalsContact O-N 3.14Å; V438-L442 HydrophobicContact CG1-CD1 4.26Å; V438-L442 WeakPolarHBondContact O-CG 3.35Å; V438-L442 PolarHBondContact O-N 3.4Å; V438-L472 HydrophobicContact CG2-CD2 3.82Å; V438-L474 HydrophobicContact CG1-CD1 3.81Å; V438-L474 HydrophobicContact CG2-CD2 3.97Å; V438-L480 HydrophobicContact CG1-CD2 4.1Å |
| 439 | N | 89 | Confident | 88 | Confident | 64 Ų | 64 | 24.4 Ų | 24.4 | 34% | 0.342 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -62.9 | -38.8 | 174.8 | -69.3 | -29.3 | 0 | 0 | 0 | 111.8 | N434 S435 A441 L442 N443 | N434-N439 WeakPolarHBondContact CB-OD1 3.47Å; N434-N439 PolarHBondContact O-ND2 2.99Å; S435-N439 PolarHBondContact O-N 3.14Å; S435-N439 PolarHBondContact O-ND2 2.81Å; N439-A441 VanDerWaalsContact C-N 3.33Å; N439-A441 PolarHBondContact O-N 3.45Å; N439-L442 PolarHBondContact O-N 3.33Å; N439-N443 WeakPolarHBondContact O-CB 3.45Å; N439-N443 PolarHBondContact O-N 3.15Å; N439-N443 PolarHBondContact O-ND2 2.63Å |
| 440 | A | 90.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.2 | -39.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | P436 L437 V438 G444 Y445 C447 F512 | P436-A440 VanDerWaalsContact O-CB 3.26Å; P436-A440 WeakPolarHBondContact O-CB 3.33Å; P436-A440 PolarHBondContact O-N 2.92Å; L437-A440 PolarHBondContact O-N 3.12Å; V438-A440 VanDerWaalsContact C-N 3.32Å; V438-A440 PolarHBondContact O-N 2.83Å; A440-G444 PolarHBondContact O-N 3.19Å; A440-Y445 HydrophobicContact CB-CD2 4.47Å; A440-Y445 PolarHBondContact O-N 3.49Å; A440-C447 HydrophobicContact CB-CB 3.9Å; A440-F512 HydrophobicContact CB-CD2 4.16Å; A440-F512 HydrophobicContact CB-CE2 3.83Å; A440-F512 VanDerWaalsContact O-CD2 3.27Å; A440-F512 WeakPolarHBondContact O-CD2 3.47Å |
| 441 | A | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L437 V438 N439 L466 L480 I508 H509 F512 | L437-A441 PolarHBondContact O-N 3.42Å; V438-A441 WeakPolarHBondContact O-CB 3.48Å; V438-A441 PolarHBondContact O-N 2.98Å; V438-A441 VanDerWaalsContact O-N 3.14Å; N439-A441 VanDerWaalsContact C-N 3.33Å; N439-A441 PolarHBondContact O-N 3.45Å; A441-L466 HydrophobicContact CB-CD1 4.38Å; A441-L480 HydrophobicContact CB-CD2 4.33Å; A441-I508 HydrophobicContact CB-CG2 4.23Å; A441-I508 WeakPolarHBondContact O-CG2 3.35Å; A441-H509 PolarHBondContact O-N 2.79Å; A441-F512 VanDerWaalsContact CA-CD2 3.4Å; A441-F512 HydrophobicContact CB-CD1 4.1Å; A441-F512 HydrophobicContact CB-CD2 4.15Å; A441-F512 HydrophobicContact CB-CE1 4Å; A441-F512 HydrophobicContact CB-CE2 4.05Å; A441-F512 HydrophobicContact CB-CG 4.16Å; A441-F512 HydrophobicContact CB-CZ 3.96Å |
| 442 | L | 91.7 | Very high | 88.6 | Confident | 50 Ų | 50 | 22.4 Ų | 22.4 | 26% | 0.262 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -71.4 | -38.7 | 178.4 | -69 | 171.3 | 0 | 0 | 0 | 112.6 | V438 N439 L480 F506 | V438-L442 HydrophobicContact CG1-CD1 4.26Å; V438-L442 WeakPolarHBondContact O-CG 3.35Å; V438-L442 PolarHBondContact O-N 3.4Å; N439-L442 PolarHBondContact O-N 3.33Å; L442-L480 HydrophobicContact CD2-CD2 3.69Å; L442-L480 HydrophobicContact CD2-CG 4.02Å; L442-L480 HydrophobicContact CG-CD2 3.95Å; L442-F506 HydrophobicContact CD2-CB 3.86Å; L442-F506 HydrophobicContact CD2-CG 4.48Å |
| 443 | N | 88.2 | Confident | 88.5 | Confident | 75 Ų | 75 | 23.1 Ų | 23.1 | 40% | 0.401 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -97.3 | -7.7 | -172.9 | -61.5 | -44.6 | 0 | 0 | 0 | 114.6 | N439 Y445 | N439-N443 WeakPolarHBondContact O-CB 3.45Å; N439-N443 PolarHBondContact O-N 3.15Å; N439-N443 PolarHBondContact O-ND2 2.63Å; N443-Y445 HydrophobicContact CB-CD1 3.99Å; N443-Y445 HydrophobicContact CB-CD2 3.88Å; N443-Y445 HydrophobicContact CB-CE1 3.59Å; N443-Y445 HydrophobicContact CB-CE2 3.45Å; N443-Y445 VanDerWaalsContact CB-CE2 3.45Å; N443-Y445 HydrophobicContact CB-CG 4.15Å |
| 444 | G | 88.9 | Confident | 88.4 | Confident | 2 Ų | 2 | 22.1 Ų | 22.1 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 30.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A440 H509 S511 | A440-G444 PolarHBondContact O-N 3.19Å; G444-H509 VanDerWaalsContact CA-CB 3.49Å; G444-H509 WeakPolarHBondContact CA-ND1 3.44Å; G444-S511 WeakPolarHBondContact CA-OG 3.48Å; G444-S511 PolarHBondContact O-OG 2.74Å |
| 445 | Y | 90.6 | Very high | 87.9 | Confident | 59 Ų | 59 | 20.7 Ų | 20.7 | 23% | 0.231 | 11% | 0.11 | C | C | . | . | trans | -85.8 | 163 | -179.6 | -53.8 | -29.1 | 0 | 0 | 0 | 111.9 | E403 V405 A440 N443 F512 R513 | E403-Y445 HydrophobicContact CB-CD1 3.66Å; E403-Y445 HydrophobicContact CB-CE1 4.03Å; E403-Y445 HydrophobicContact CB-CG 4.16Å; E403-Y445 HydrophobicContact CG-CD1 4.36Å; E403-Y445 HydrophobicContact CG-CE1 4.43Å; E403-Y445 WeakPolarHBondContact OE2-CE1 3.34Å; E403-Y445 PolarHBondContact OE2-OH 3.12Å; V405-Y445 HydrophobicContact CG2-CD2 3.75Å; V405-Y445 HydrophobicContact CG2-CG 4.3Å; A440-Y445 HydrophobicContact CB-CD2 4.47Å; A440-Y445 PolarHBondContact O-N 3.49Å; N443-Y445 HydrophobicContact CB-CD1 3.99Å; N443-Y445 HydrophobicContact CB-CD2 3.88Å; N443-Y445 HydrophobicContact CB-CE1 3.59Å; N443-Y445 HydrophobicContact CB-CE2 3.45Å; N443-Y445 VanDerWaalsContact CB-CE2 3.45Å; N443-Y445 HydrophobicContact CB-CG 4.15Å; Y445-F512 WeakPolarHBondContact O-CD2 3.18Å; Y445-R513 PolarHBondContact O-N 2.69Å | ||
| 446 | L | 92.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 107.9 | 168.2 | -173.5 | 73.8 | 0 | 0 | 0 | 108.6 | I393 F396 A397 Y402 E403 V404 V405 R513 V515 | I393-L446 HydrophobicContact CG2-CD2 4.31Å; F396-L446 HydrophobicContact CD1-CD2 4.04Å; F396-L446 HydrophobicContact CE1-CD1 4.33Å; F396-L446 HydrophobicContact CE1-CD2 4.27Å; A397-L446 HydrophobicContact CB-CD2 3.91Å; Y402-L446 HydrophobicContact CD1-CB 4.13Å; Y402-L446 HydrophobicContact CG-CB 3.91Å; E403-L446 PolarHBondContact O-N 2.89Å; V404-L446 WeakPolarHBondContact CA-O 3.47Å; V404-L446 HydrophobicContact CG2-CD2 4.33Å; V405-L446 PolarHBondContact N-O 3.28Å; L446-R513 CarbonylContact C-O 3.52Å; L446-R513 WeakPolarHBondContact CA-O 3.11Å; L446-R513 HydrophobicContact CD1-CB 3.52Å; L446-V515 HydrophobicContact CD1-CG2 3.73Å; L446-V515 HydrophobicContact CD2-CG2 4.38Å; L446-V515 HydrophobicContact CG-CG2 4.27Å |
| 447 | C | 92.8 | Very high | 87 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 122.6 | 176.2 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | V405 L437 A440 F512 R513 I514 V515 | V405-C447 CarbonylContact O-C 3.59Å; V405-C447 VanDerWaalsContact O-CA 3.29Å; V405-C447 WeakPolarHBondContact O-CA 3.27Å; L437-C447 HydrophobicContact CD1-CB 4.01Å; A440-C447 HydrophobicContact CB-CB 3.9Å; C447-F512 HydrophobicContact CB-CE2 4.08Å; C447-R513 PolarHBondContact N-O 3.28Å; C447-I514 WeakPolarHBondContact O-CA 3.45Å; C447-V515 PolarHBondContact O-N 3.42Å |
| 448 | V | 91.7 | Very high | 86.3 | Confident | 9 Ų | 9 | 23.2 Ų | 23.2 | 6% | 0.055 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 110.6 | 176.4 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | I393 V404 V405 L407 D450 V515 T517 | I393-V448 HydrophobicContact CD1-CG1 3.88Å; I393-V448 HydrophobicContact CG2-CG2 3.54Å; V404-V448 HydrophobicContact CG1-CG2 3.56Å; V405-V448 PolarHBondContact O-N 3.38Å; L407-V448 PolarHBondContact N-O 3.47Å; V448-D450 PolarHBondContact O-N 3.19Å; V448-V515 CarbonylContact C-O 3.55Å; V448-V515 VanDerWaalsContact CA-O 3.22Å; V448-V515 WeakPolarHBondContact CA-O 3.46Å; V448-T517 HydrophobicContact CG1-CG2 4.41Å |
| 449 | L | 91.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 92 | 174.7 | -63.9 | -177.2 | 0 | 0 | 0 | 109 | L407 L409 I452 L463 I514 V515 A516 T517 F539 | L407-L449 HydrophobicContact CB-CD2 4.17Å; L407-L449 HydrophobicContact CD2-CD2 3.86Å; L407-L449 HydrophobicContact CG-CD2 4.5Å; L409-L449 HydrophobicContact CD1-CB 3.86Å; L409-L449 HydrophobicContact CD2-CD2 4.44Å; L449-I452 HydrophobicContact CB-CG2 4.12Å; L449-L463 HydrophobicContact CD1-CD1 3.75Å; L449-I514 HydrophobicContact CD1-CG2 3.58Å; L449-I514 HydrophobicContact CG-CG2 3.8Å; L449-V515 PolarHBondContact N-O 2.93Å; L449-A516 HydrophobicContact CB-CB 4.33Å; L449-A516 CarbonylContact O-C 3.48Å; L449-A516 WeakPolarHBondContact O-CA 3.24Å; L449-T517 PolarHBondContact O-N 3.15Å; L449-F539 HydrophobicContact CD1-CZ 4.39Å |
| 450 | D | 85.6 | Confident | 85.4 | Confident | 25 Ų | 25 | 20.5 Ų | 20.5 | 13% | 0.134 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.8 | -173.9 | -165.7 | 12 | 0 | 0 | 0 | 111.1 | L407 M408 L409 V448 T517 | L407-D450 PolarHBondContact O-N 3.38Å; M408-D450 HydrophobicContact SD-CB 3.88Å; L409-D450 WeakPolarHBondContact CB-O 3.47Å; L409-D450 PolarHBondContact N-O 2.92Å; V448-D450 PolarHBondContact O-N 3.19Å; D450-T517 VanDerWaalsContact CA-OG1 3.26Å; D450-T517 WeakPolarHBondContact CA-OG1 3.03Å; D450-T517 PolarHBondContact OD1-OG1 3.42Å |
| 451 | G | 84.1 | Confident | 85 | Confident | 3 Ų | 3 | 21.5 Ų | 21.5 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | 39.2 | 174 | 0 | 0 | 0 | 0 | 0 | 116.3 | H453 T454 T517 | G451-H453 PolarHBondContact O-N 2.86Å; G451-T454 WeakPolarHBondContact O-CB 3.05Å; G451-T454 PolarHBondContact O-N 3.28Å; G451-T454 PolarHBondContact O-OG1 3.37Å; G451-T517 WeakPolarHBondContact CA-O 3.32Å; G451-T517 PolarHBondContact N-O 3.45Å; G451-T517 VanDerWaalsContact N-O 3.15Å; G451-T517 PolarHBondContact N-OG1 3.24Å |
| 452 | I | 85.6 | Confident | 84.5 | Confident | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -56.4 | -26.2 | -178.9 | 63.8 | 163 | 0 | 0 | 0 | 114.3 | C380 L409 L449 T454 L455 A516 T517 A518 F530 V535 F539 | C380-I452 HydrophobicContact CB-CD1 4.42Å; C380-I452 VanDerWaalsContact SG-CD1 3.58Å; L409-I452 HydrophobicContact CD1-CB 4.31Å; L409-I452 HydrophobicContact CD1-CG2 3.61Å; L449-I452 HydrophobicContact CB-CG2 4.12Å; I452-T454 PolarHBondContact O-N 3.35Å; I452-L455 PolarHBondContact O-N 3.06Å; I452-A516 HydrophobicContact CD1-CB 4.05Å; I452-A516 HydrophobicContact CG1-CB 4.39Å; I452-A516 HydrophobicContact CG2-CB 3.62Å; I452-T517 PolarHBondContact N-O 3.14Å; I452-A518 HydrophobicContact CD1-CB 4.29Å; I452-A518 HydrophobicContact CG1-CB 3.7Å; I452-F530 HydrophobicContact CD1-CE2 4.08Å; I452-F530 HydrophobicContact CG1-CE2 4.23Å; I452-V535 HydrophobicContact CD1-CG1 4.34Å; I452-F539 HydrophobicContact CD1-CD2 4.27Å; I452-F539 HydrophobicContact CD1-CE2 4.29Å |
| 453 | H | 83.7 | Confident | 84.4 | Confident | 55 Ų | 55 | 20.5 Ų | 20.5 | 26% | 0.255 | 10% | 0.102 | S | C | . | . | G | 310 helix | trans | -66.5 | -15 | 176.8 | 64.6 | -74.2 | 0 | 0 | 0 | 113.8 | G451 A518 F530 | G451-H453 PolarHBondContact O-N 2.86Å; H453-A518 HydrophobicContact CB-CB 4.08Å; H453-F530 HydrophobicContact CB-CB 4.21Å; H453-F530 HydrophobicContact CB-CD1 3.73Å; H453-F530 HydrophobicContact CB-CD2 3.86Å; H453-F530 HydrophobicContact CB-CE1 4.07Å; H453-F530 HydrophobicContact CB-CE2 4.18Å; H453-F530 HydrophobicContact CB-CG 3.63Å; H453-F530 HydrophobicContact CB-CZ 4.29Å |
| 454 | T | 77.8 | Confident | 84.4 | Confident | 45 Ų | 45 | 17.3 Ų | 17.3 | 28% | 0.276 | 9% | 0.085 | S | C | . | . | G | 310 helix | trans | -91.7 | -20 | 176.8 | 67.3 | 0 | 0 | 0 | 0 | 113 | L409 E411 G451 I452 | L409-T454 PolarHBondContact O-OG1 2.92Å; E411-T454 WeakPolarHBondContact CA-O 3.13Å; E411-T454 WeakPolarHBondContact CB-O 3.47Å; G451-T454 WeakPolarHBondContact O-CB 3.05Å; G451-T454 PolarHBondContact O-N 3.28Å; G451-T454 PolarHBondContact O-OG1 3.37Å; I452-T454 PolarHBondContact O-N 3.35Å |
| 455 | L | 77.5 | Confident | 84.4 | Confident | 15 Ų | 15 | 17.8 Ų | 17.8 | 8% | 0.079 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -71.9 | 148.1 | -179.9 | -77.9 | 177 | 0 | 0 | 0 | 111.6 | L409 Y410 M413 I452 L460 | L409-L455 HydrophobicContact CB-CD1 4.1Å; L409-L455 HydrophobicContact CB-CD2 4.08Å; L409-L455 HydrophobicContact CB-CG 3.8Å; L409-L455 HydrophobicContact CD1-CD1 3.41Å; L409-L455 VanDerWaalsContact CD1-CD1 3.41Å; L409-L455 HydrophobicContact CD1-CG 4Å; L409-L455 HydrophobicContact CD2-CD1 3.93Å; L409-L455 HydrophobicContact CD2-CD2 4.4Å; L409-L455 HydrophobicContact CD2-CG 4.42Å; L409-L455 HydrophobicContact CG-CD1 4Å; L409-L455 HydrophobicContact CG-CG 4.28Å; Y410-L455 WeakPolarHBondContact O-CD2 3.42Å; M413-L455 HydrophobicContact CB-CD2 3.79Å; M413-L455 HydrophobicContact CG-CD2 4.48Å; M413-L455 HydrophobicContact SD-CD2 4.43Å; I452-L455 PolarHBondContact O-N 3.06Å; L455-L460 HydrophobicContact CB-CD1 4.39Å; L455-L460 HydrophobicContact CB-CD2 4.49Å; L455-L460 HydrophobicContact CB-CG 4.18Å; L455-L460 HydrophobicContact CD1-CD2 3.69Å; L455-L460 HydrophobicContact CD1-CG 4.13Å |
| 456 | H | 75.3 | Confident | 84.5 | Confident | 41 Ų | 41 | 15 Ų | 15 | 19% | 0.19 | 8% | 0.075 | C | C | . | . | trans | -68.4 | 141.4 | 165.9 | -167.9 | -96.1 | 0 | 0 | 0 | 111.4 | R74 S458 A459 | R74-H456 PolarHBondContact NH1-CD2 3.03Å; R74-H456 PolarHBondContact NH1-ND1 2.94Å; H456-S458 PolarHBondContact ND1-N 3.14Å; H456-S458 PolarHBondContact ND1-OG 3.43Å; H456-S458 PolarHBondContact O-N 3.49Å; H456-S458 VanDerWaalsContact O-N 3.15Å; H456-A459 PolarHBondContact O-N 2.86Å | ||
| 457 | Y | 75.8 | Confident | 84.4 | Confident | 41 Ų | 41 | 15.1 Ų | 15.1 | 16% | 0.161 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.5 | -31.4 | -174.8 | 62.4 | -88 | 0 | 0 | 0 | 113.8 | R185 A459 L460 N461 | R185-Y457 HydrophobicContact CB-CE2 4.49Å; Y457-A459 VanDerWaalsContact C-N 3.35Å; Y457-A459 PolarHBondContact O-N 3.43Å; Y457-L460 PolarHBondContact O-N 3.36Å; Y457-N461 PolarHBondContact O-N 3.12Å |
| 458 | S | 76 | Confident | 84.2 | Confident | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.014 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.3 | -32.8 | 177.4 | 65.1 | 0 | 0 | 0 | 0 | 113.9 | R74 H456 N461 | R74-S458 WeakPolarHBondContact CD-OG 3.38Å; R74-S458 WeakPolarHBondContact CG-OG 3.29Å; H456-S458 PolarHBondContact ND1-N 3.14Å; H456-S458 PolarHBondContact ND1-OG 3.43Å; H456-S458 PolarHBondContact O-N 3.49Å; H456-S458 VanDerWaalsContact O-N 3.15Å; S458-N461 PolarHBondContact O-N 3.48Å |
| 459 | A | 80.3 | Confident | 84 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -72.2 | -35.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L418 H456 Y457 N461 M462 | L418-A459 HydrophobicContact CD1-CB 4.06Å; H456-A459 PolarHBondContact O-N 2.86Å; Y457-A459 VanDerWaalsContact C-N 3.35Å; Y457-A459 PolarHBondContact O-N 3.43Å; A459-N461 VanDerWaalsContact C-N 3.27Å; A459-N461 PolarHBondContact O-N 3.02Å; A459-M462 PolarHBondContact O-N 2.94Å |
| 460 | L | 82.2 | Confident | 84 | Confident | 7 Ų | 7 | 18.5 Ų | 18.5 | 4% | 0.037 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.7 | -31.2 | 176.1 | -71.8 | 168.9 | 0 | 0 | 0 | 112.5 | L455 Y457 M462 L463 V535 L538 | L455-L460 HydrophobicContact CB-CD1 4.39Å; L455-L460 HydrophobicContact CB-CD2 4.49Å; L455-L460 HydrophobicContact CB-CG 4.18Å; L455-L460 HydrophobicContact CD1-CD2 3.69Å; L455-L460 HydrophobicContact CD1-CG 4.13Å; Y457-L460 PolarHBondContact O-N 3.36Å; L460-M462 PolarHBondContact O-N 2.91Å; L460-L463 HydrophobicContact CD2-CD1 4.21Å; L460-L463 WeakPolarHBondContact O-CB 3.19Å; L460-L463 PolarHBondContact O-N 3.39Å; L460-V535 HydrophobicContact CD1-CG2 3.98Å; L460-L538 HydrophobicContact CB-CD1 4.22Å |
| 461 | N | 81 | Confident | 84.3 | Confident | 20 Ų | 20 | 17.6 Ų | 17.6 | 11% | 0.107 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63 | -28 | 178.4 | -88.7 | 17.7 | 0 | 0 | 0 | 113.9 | Q116 Y457 S458 A459 L463 Q464 | Q116-N461 PolarHBondContact NE2-ND2 2.98Å; Q116-N461 PolarHBondContact OE1-ND2 3.18Å; Y457-N461 PolarHBondContact O-N 3.12Å; S458-N461 PolarHBondContact O-N 3.48Å; A459-N461 VanDerWaalsContact C-N 3.27Å; A459-N461 PolarHBondContact O-N 3.02Å; N461-L463 PolarHBondContact O-N 2.9Å; N461-Q464 VanDerWaalsContact CG-NE2 3.27Å; N461-Q464 WeakPolarHBondContact O-CB 3.19Å; N461-Q464 WeakPolarHBondContact O-CG 3.11Å; N461-Q464 PolarHBondContact O-N 2.88Å; N461-Q464 PolarHBondContact OD1-NE2 3.45Å |
| 462 | M | 82.8 | Confident | 84.6 | Confident | 29 Ų | 29 | 17.6 Ų | 17.6 | 14% | 0.143 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -29.1 | 173.7 | -70.1 | -62.4 | -65.8 | 0 | 0 | 112.7 | A71 T73 L419 A459 L460 Q464 | A71-M462 HydrophobicContact CB-CE 4.13Å; A71-M462 HydrophobicContact CB-SD 3.47Å; A71-M462 WeakPolarHBondContact CB-SD 3.29Å; T73-M462 HydrophobicContact CG2-CG 3.41Å; T73-M462 VanDerWaalsContact CG2-CG 3.41Å; T73-M462 HydrophobicContact CG2-SD 3.39Å; T73-M462 WeakPolarHBondContact CG2-SD 3.43Å; L419-M462 HydrophobicContact CD1-CE 3.41Å; L419-M462 VanDerWaalsContact CD1-CE 3.41Å; A459-M462 PolarHBondContact O-N 2.94Å; L460-M462 PolarHBondContact O-N 2.91Å; M462-Q464 VanDerWaalsContact C-N 3.3Å; M462-Q464 PolarHBondContact O-N 3.37Å |
| 463 | L | 88.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -76.7 | -17.9 | -179.5 | -56.9 | 179.6 | 0 | 0 | 0 | 112.4 | L437 L449 L460 N461 R465 L466 I467 | L437-L463 HydrophobicContact CD2-CD2 3.45Å; L437-L463 VanDerWaalsContact CD2-CD2 3.45Å; L449-L463 HydrophobicContact CD1-CD1 3.75Å; L460-L463 HydrophobicContact CD2-CD1 4.21Å; L460-L463 WeakPolarHBondContact O-CB 3.19Å; L460-L463 PolarHBondContact O-N 3.39Å; N461-L463 PolarHBondContact O-N 2.9Å; L463-R465 VanDerWaalsContact C-N 3.26Å; L463-R465 PolarHBondContact O-N 2.74Å; L463-L466 PolarHBondContact O-N 3.11Å; L463-L466 VanDerWaalsContact O-N 3.12Å; L463-I467 HydrophobicContact CB-CD1 3.66Å; L463-I467 HydrophobicContact CB-CG1 4.34Å; L463-I467 VanDerWaalsContact O-CB 3.31Å; L463-I467 WeakPolarHBondContact O-CB 3.45Å; L463-I467 WeakPolarHBondContact O-CG1 3.43Å; L463-I467 PolarHBondContact O-N 3.22Å |
| 464 | Q | 89.3 | Confident | 85 | Confident | 9 Ų | 9 | 16.9 Ų | 16.9 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -53.9 | -42.6 | -177.3 | -73 | 179.6 | 7 | 0 | 0 | 112.6 | N461 M462 H468 L538 | N461-Q464 VanDerWaalsContact CG-NE2 3.27Å; N461-Q464 WeakPolarHBondContact O-CB 3.19Å; N461-Q464 WeakPolarHBondContact O-CG 3.11Å; N461-Q464 PolarHBondContact O-N 2.88Å; N461-Q464 PolarHBondContact OD1-NE2 3.45Å; M462-Q464 VanDerWaalsContact C-N 3.3Å; M462-Q464 PolarHBondContact O-N 3.37Å; Q464-H468 VanDerWaalsContact O-CB 3.28Å; Q464-H468 WeakPolarHBondContact O-CB 3.48Å; Q464-H468 PolarHBondContact O-CD2 3.32Å; Q464-H468 VanDerWaalsContact O-CD2 3.25Å; Q464-H468 PolarHBondContact O-N 2.94Å; Q464-L538 HydrophobicContact CB-CD2 4.07Å; Q464-L538 HydrophobicContact CG-CD2 3.45Å; Q464-L538 VanDerWaalsContact CG-CD2 3.45Å; Q464-L538 HydrophobicContact CG-CG 4.37Å |
| 465 | R | 88.3 | Confident | 85.2 | Confident | 12 Ų | 12 | 16 Ų | 16 | 5% | 0.045 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -73 | -36.3 | -177.7 | -159.9 | -177.5 | 156.9 | -168.6 | -13.1 | 112.1 | L463 D469 R470 E471 T473 | L463-R465 VanDerWaalsContact C-N 3.26Å; L463-R465 PolarHBondContact O-N 2.74Å; R465-D469 HydrophobicContact CG-CB 4.41Å; R465-D469 WeakPolarHBondContact O-CB 3.24Å; R465-D469 PolarHBondContact O-N 3.47Å; R465-D469 VanDerWaalsContact O-N 3.08Å; R465-R470 PolarHBondContact O-N 2.97Å; R465-E471 CarbonylContact C-O 3.29Å; R465-E471 HydrophobicContact CG-CB 4.12Å; R465-E471 WeakPolarHBondContact CG-O 3.34Å; R465-E471 IonicContact CZ-OE2 3.57Å; R465-E471 IonicContact NE-OE2 3.99Å; R465-E471 IonicContact NH2-OE2 3.55Å; R465-E471 PolarHBondContact NH2-OE2 3.02Å; R465-E471 PolarHBondContact O-N 3.01Å; R465-E471 VanDerWaalsContact O-N 3.16Å; R465-T473 PolarHBondContact NH1-OG1 2.99Å; R465-T473 PolarHBondContact NH2-OG1 2.88Å |
| 466 | L | 92.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.4 | -38.3 | 176 | -179 | 62.1 | 0 | 0 | 0 | 112 | L437 A441 L463 R470 E471 I508 F512 I514 | L437-L466 HydrophobicContact CD1-CD2 3.94Å; L437-L466 HydrophobicContact CD2-CD2 3.84Å; L437-L466 HydrophobicContact CG-CD2 3.83Å; A441-L466 HydrophobicContact CB-CD1 4.38Å; L463-L466 PolarHBondContact O-N 3.11Å; L463-L466 VanDerWaalsContact O-N 3.12Å; L466-R470 WeakPolarHBondContact O-CA 3.45Å; L466-R470 WeakPolarHBondContact O-CD 3.06Å; L466-R470 PolarHBondContact O-N 3.3Å; L466-R470 PolarHBondContact O-NH1 3.07Å; L466-E471 WeakPolarHBondContact CA-O 3.26Å; L466-E471 PolarHBondContact N-O 3.47Å; L466-I508 HydrophobicContact CD1-CD1 3.64Å; L466-F512 HydrophobicContact CD1-CE1 3.87Å; L466-F512 HydrophobicContact CD2-CE1 4.2Å; L466-F512 HydrophobicContact CD2-CZ 4.14Å; L466-F512 HydrophobicContact CG-CE1 4Å; L466-F512 HydrophobicContact CG-CZ 4.44Å; L466-I514 HydrophobicContact CD2-CD1 4.21Å; L466-I514 HydrophobicContact CG-CD1 4.43Å |
| 467 | I | 91.2 | Very high | 85.7 | Confident | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.015 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -75.7 | -52.1 | -177.5 | -73.4 | 168.5 | 0 | 0 | 0 | 110.7 | H377 L463 I514 L538 F539 | H377-I467 WeakPolarHBondContact CE1-CG2 3.43Å; L463-I467 HydrophobicContact CB-CD1 3.66Å; L463-I467 HydrophobicContact CB-CG1 4.34Å; L463-I467 VanDerWaalsContact O-CB 3.31Å; L463-I467 WeakPolarHBondContact O-CB 3.45Å; L463-I467 WeakPolarHBondContact O-CG1 3.43Å; L463-I467 PolarHBondContact O-N 3.22Å; I467-I514 HydrophobicContact CG1-CD1 3.81Å; I467-L538 HydrophobicContact CD1-CD2 3.96Å; I467-L538 VanDerWaalsContact CG2-O 3.28Å; I467-L538 WeakPolarHBondContact CG2-O 3.17Å; I467-F539 HydrophobicContact CD1-CE1 3.69Å; I467-F539 HydrophobicContact CD1-CE2 4.22Å; I467-F539 HydrophobicContact CD1-CZ 3.48Å; I467-F539 VanDerWaalsContact CD1-CZ 3.48Å; I467-F539 HydrophobicContact CG1-CE1 4.45Å |
| 468 | H | 87.8 | Confident | 86.4 | Confident | 18 Ų | 18 | 14.7 Ų | 14.7 | 8% | 0.083 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -80.2 | -46.7 | -175.1 | -69.2 | -52.2 | 0 | 0 | 0 | 114.1 | R50 H377 Q464 A537 | R50-H468 HydrophobicContact CB-CB 4.32Å; H377-H468 AromaticContact CE1-ND1 3.95Å; H377-H468 AromaticContact NE2-ND1 3.54Å; Q464-H468 VanDerWaalsContact O-CB 3.28Å; Q464-H468 WeakPolarHBondContact O-CB 3.48Å; Q464-H468 PolarHBondContact O-CD2 3.32Å; Q464-H468 VanDerWaalsContact O-CD2 3.25Å; Q464-H468 PolarHBondContact O-N 2.94Å; H468-A537 PolarHBondContact CE1-O 3.34Å; H468-A537 PolarHBondContact NE2-O 3.3Å |
| 469 | D | 87.1 | Confident | 87.1 | Confident | 23 Ų | 23 | 17.5 Ų | 17.5 | 12% | 0.123 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -12 | -167.4 | -51.2 | -40.8 | 0 | 0 | 0 | 111.8 | R53 R465 E471 | R53-D469 VanDerWaalsContact CD-OD2 3.31Å; R53-D469 WeakPolarHBondContact CD-OD2 3.25Å; R53-D469 IonicContact CZ-OD2 3.19Å; R53-D469 IonicContact NE-OD2 2.66Å; R53-D469 IonicContact NH1-OD2 3.57Å; R53-D469 PolarHBondContact NH1-OD2 2.96Å; R465-D469 HydrophobicContact CG-CB 4.41Å; R465-D469 WeakPolarHBondContact O-CB 3.24Å; R465-D469 PolarHBondContact O-N 3.47Å; R465-D469 VanDerWaalsContact O-N 3.08Å; D469-E471 HydrophobicContact CB-CB 4.32Å; D469-E471 HydrophobicContact CB-CG 4.16Å; D469-E471 PolarHBondContact O-N 2.86Å |
| 470 | R | 92.3 | Very high | 87.7 | Confident | 39 Ų | 39 | 17.6 Ų | 17.6 | 15% | 0.147 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 51.1 | 48.5 | -165.6 | -62.6 | -67.2 | -179.7 | -149.7 | 6.5 | 110.5 | D378 R465 L466 M481 S482 I508 | D378-R470 IonicContact OD1-CZ 3.33Å; D378-R470 IonicContact OD1-NH1 2.94Å; D378-R470 IonicContact OD1-NH2 2.6Å; D378-R470 PolarHBondContact OD1-NH2 3.48Å; D378-R470 IonicContact OD2-CZ 2.9Å; D378-R470 IonicContact OD2-NH1 2.88Å; D378-R470 PolarHBondContact OD2-NH1 3.24Å; D378-R470 IonicContact OD2-NH2 2.64Å; D378-R470 PolarHBondContact OD2-NH2 3.33Å; R465-R470 PolarHBondContact O-N 2.97Å; L466-R470 WeakPolarHBondContact O-CA 3.45Å; L466-R470 WeakPolarHBondContact O-CD 3.06Å; L466-R470 PolarHBondContact O-N 3.3Å; L466-R470 PolarHBondContact O-NH1 3.07Å; R470-M481 CarbonylContact O-C 3.59Å; R470-M481 VanDerWaalsContact O-C 3.28Å; R470-M481 WeakPolarHBondContact O-CA 3.17Å; R470-S482 PolarHBondContact O-N 3Å; R470-I508 VanDerWaalsContact C-CD1 3.5Å; R470-I508 HydrophobicContact CB-CD1 4.39Å; R470-I508 WeakPolarHBondContact O-CD1 3.35Å |
| 471 | E | 91.5 | Very high | 88.2 | Confident | 5 Ų | 5 | 18 Ų | 18 | 2% | 0.023 | 9% | 0.093 | C | C | . | . | trans | -135.6 | 147.8 | 175 | -60.8 | -161.5 | 165.4 | 0 | 0 | 112.7 | R465 L466 D469 L480 M481 R485 | R465-E471 CarbonylContact C-O 3.29Å; R465-E471 HydrophobicContact CG-CB 4.12Å; R465-E471 WeakPolarHBondContact CG-O 3.34Å; R465-E471 IonicContact CZ-OE2 3.57Å; R465-E471 IonicContact NE-OE2 3.99Å; R465-E471 IonicContact NH2-OE2 3.55Å; R465-E471 PolarHBondContact NH2-OE2 3.02Å; R465-E471 PolarHBondContact O-N 3.01Å; R465-E471 VanDerWaalsContact O-N 3.16Å; L466-E471 WeakPolarHBondContact CA-O 3.26Å; L466-E471 PolarHBondContact N-O 3.47Å; D469-E471 HydrophobicContact CB-CB 4.32Å; D469-E471 HydrophobicContact CB-CG 4.16Å; D469-E471 PolarHBondContact O-N 2.86Å; E471-L480 CarbonylContact C-O 3.56Å; E471-L480 VanDerWaalsContact CA-O 3.29Å; E471-L480 WeakPolarHBondContact CA-O 3.13Å; E471-M481 HydrophobicContact CG-CB 4.28Å; E471-R485 VanDerWaalsContact CD-NH1 3.34Å; E471-R485 WeakPolarHBondContact OE1-CD 3.47Å; E471-R485 IonicContact OE1-CZ 2.65Å; E471-R485 IonicContact OE1-NE 3.77Å; E471-R485 PolarHBondContact OE1-NE 2.84Å; E471-R485 IonicContact OE1-NH1 2.72Å; E471-R485 PolarHBondContact OE1-NH1 3.08Å; E471-R485 IonicContact OE2-NH1 3.93Å; E471-R485 PolarHBondContact OE2-NH1 2.95Å | ||
| 472 | L | 90.9 | Very high | 88.7 | Confident | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 139.3 | 177.1 | -166.4 | 67.1 | 0 | 0 | 0 | 109.7 | L419 V438 L474 L480 | L419-L472 HydrophobicContact CD1-CD1 3.92Å; L419-L472 HydrophobicContact CD2-CD1 3.83Å; L419-L472 HydrophobicContact CD2-CD2 3.9Å; L419-L472 HydrophobicContact CD2-CG 4.44Å; V438-L472 HydrophobicContact CG2-CD2 3.82Å; L472-L474 HydrophobicContact CD2-CD2 3.4Å; L472-L474 HydrophobicContact CD2-CG 4.19Å; L472-L474 HydrophobicContact CG-CD2 3.86Å; L472-L474 HydrophobicContact CG-CG 4.42Å; L472-L480 HydrophobicContact CB-CB 4.17Å; L472-L480 PolarHBondContact N-O 2.91Å; L472-L480 PolarHBondContact O-N 3.21Å |
| 473 | T | 88 | Confident | 88.9 | Confident | 34 Ų | 34 | 18.9 Ų | 18.9 | 21% | 0.209 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.9 | 168.7 | -58.6 | 0 | 0 | 0 | 0 | 107.2 | R465 R479 | R465-T473 PolarHBondContact NH1-OG1 2.99Å; R465-T473 PolarHBondContact NH2-OG1 2.88Å; T473-R479 HydrophobicContact CG2-CG 4.41Å |
| 474 | L | 88.9 | Confident | 88.8 | Confident | 7 Ų | 7 | 23.9 Ų | 23.9 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | trans | -93.4 | 162.6 | -172.5 | -72.4 | -174.2 | 0 | 0 | 0 | 111.5 | L419 Q420 V438 L472 D476 G477 S478 L480 | L419-L474 HydrophobicContact CB-CD2 4.18Å; Q420-L474 HydrophobicContact CG-CD1 4.25Å; Q420-L474 HydrophobicContact CG-CD2 4.02Å; V438-L474 HydrophobicContact CG1-CD1 3.81Å; V438-L474 HydrophobicContact CG2-CD2 3.97Å; L472-L474 HydrophobicContact CD2-CD2 3.4Å; L472-L474 HydrophobicContact CD2-CG 4.19Å; L472-L474 HydrophobicContact CG-CD2 3.86Å; L472-L474 HydrophobicContact CG-CG 4.42Å; L474-D476 VanDerWaalsContact C-N 3.31Å; L474-D476 WeakPolarHBondContact CB-OD1 3.41Å; L474-D476 PolarHBondContact O-N 2.78Å; L474-G477 PolarHBondContact O-N 3.2Å; L474-S478 WeakPolarHBondContact CB-OG 3.46Å; L474-S478 WeakPolarHBondContact CD1-OG 3.19Å; L474-S478 PolarHBondContact N-O 2.99Å; L474-L480 HydrophobicContact CD1-CD1 3.28Å; L474-L480 HydrophobicContact CG-CD1 3.82Å | ||
| 475 | C | 81.9 | Confident | 88.6 | Confident | 28 Ų | 28 | 26 Ų | 26 | 19% | 0.189 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -28.1 | -172.4 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | R84 W432 G477 | R84-C475 PolarHBondContact NH1-O 3.22Å; W432-C475 HydrophobicContact CD2-CB 4.23Å; W432-C475 HydrophobicContact CE3-CB 3.82Å; W432-C475 HydrophobicContact CH2-CB 3.41Å; W432-C475 VanDerWaalsContact CH2-CB 3.41Å; W432-C475 HydrophobicContact CZ2-CB 3.86Å; W432-C475 HydrophobicContact CZ3-CB 3.41Å; W432-C475 VanDerWaalsContact CZ3-CB 3.41Å; C475-G477 PolarHBondContact O-N 2.79Å |
| 476 | D | 83.4 | Confident | 88.7 | Confident | 51 Ų | 51 | 25.7 Ų | 25.7 | 27% | 0.273 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -10.2 | 170.9 | 62.2 | 5.2 | 0 | 0 | 0 | 113.4 | R84 Q420 W432 L474 S478 | R84-D476 VanDerWaalsContact NH2-C 3.3Å; R84-D476 PolarHBondContact NH2-O 3.49Å; Q420-D476 VanDerWaalsContact NE2-CG 3.34Å; Q420-D476 PolarHBondContact NE2-OD2 3.28Å; Q420-D476 PolarHBondContact OE1-OD1 2.99Å; W432-D476 HydrophobicContact CB-CB 3.95Å; W432-D476 HydrophobicContact CG-CB 3.78Å; L474-D476 VanDerWaalsContact C-N 3.31Å; L474-D476 WeakPolarHBondContact CB-OD1 3.41Å; L474-D476 PolarHBondContact O-N 2.78Å; D476-S478 VanDerWaalsContact OD1-CB 3.22Å; D476-S478 WeakPolarHBondContact OD1-CB 3.28Å; D476-S478 PolarHBondContact OD1-N 2.92Å; D476-S478 PolarHBondContact OD1-OG 3.05Å; D476-S478 PolarHBondContact OD2-OG 3.45Å |
| 477 | G | 81.5 | Confident | 88.5 | Confident | 15 Ų | 15 | 29.2 Ų | 29.2 | 16% | 0.155 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 93.5 | -0 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L474 C475 | L474-G477 PolarHBondContact O-N 3.2Å; C475-G477 PolarHBondContact O-N 2.79Å |
| 478 | S | 89.1 | Confident | 88.3 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | trans | -68.2 | 152.5 | 171.4 | 67 | 0 | 0 | 0 | 0 | 111.5 | L474 D476 N504 | L474-S478 WeakPolarHBondContact CB-OG 3.46Å; L474-S478 WeakPolarHBondContact CD1-OG 3.19Å; L474-S478 PolarHBondContact N-O 2.99Å; D476-S478 VanDerWaalsContact OD1-CB 3.22Å; D476-S478 WeakPolarHBondContact OD1-CB 3.28Å; D476-S478 PolarHBondContact OD1-N 2.92Å; D476-S478 PolarHBondContact OD1-OG 3.05Å; D476-S478 PolarHBondContact OD2-OG 3.45Å; S478-N504 CarbonylContact C-O 3.54Å; S478-N504 VanDerWaalsContact CA-O 3.24Å; S478-N504 WeakPolarHBondContact CA-O 3.45Å; S478-N504 WeakPolarHBondContact CB-O 3.4Å | ||
| 479 | R | 91.9 | Very high | 88.2 | Confident | 60 Ų | 60 | 32.4 Ų | 32.4 | 23% | 0.226 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 120.3 | -177.9 | -68.1 | -176 | 177.8 | -169 | 0.5 | 109.2 | Y67 E68 T473 N504 I505 F506 | Y67-R479 PolarHBondContact O-NH2 3.04Å; E68-R479 VanDerWaalsContact CD-NH2 3.28Å; E68-R479 IonicContact OE1-NH2 3.99Å; E68-R479 PolarHBondContact OE1-NH2 3.08Å; E68-R479 IonicContact OE2-CZ 3.63Å; E68-R479 IonicContact OE2-NH2 3.08Å; E68-R479 PolarHBondContact OE2-NH2 2.96Å; T473-R479 HydrophobicContact CG2-CG 4.41Å; R479-N504 PolarHBondContact N-O 2.87Å; R479-I505 WeakPolarHBondContact O-CA 3.41Å; R479-F506 PolarHBondContact O-N 3.18Å |
| 480 | L | 93.5 | Very high | 88.2 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.2 | 169.4 | -74.4 | 72.3 | 0 | 0 | 0 | 108 | V438 A441 L442 E471 L472 L474 F506 I508 | V438-L480 HydrophobicContact CG1-CD2 4.1Å; A441-L480 HydrophobicContact CB-CD2 4.33Å; L442-L480 HydrophobicContact CD2-CD2 3.69Å; L442-L480 HydrophobicContact CD2-CG 4.02Å; L442-L480 HydrophobicContact CG-CD2 3.95Å; E471-L480 CarbonylContact C-O 3.56Å; E471-L480 VanDerWaalsContact CA-O 3.29Å; E471-L480 WeakPolarHBondContact CA-O 3.13Å; L472-L480 HydrophobicContact CB-CB 4.17Å; L472-L480 PolarHBondContact N-O 2.91Å; L472-L480 PolarHBondContact O-N 3.21Å; L474-L480 HydrophobicContact CD1-CD1 3.28Å; L474-L480 HydrophobicContact CG-CD1 3.82Å; L480-F506 VanDerWaalsContact CA-O 3.3Å; L480-F506 WeakPolarHBondContact CA-O 3.33Å; L480-F506 HydrophobicContact CG-CB 4.37Å; L480-I508 HydrophobicContact CB-CD1 3.97Å; L480-I508 HydrophobicContact CB-CG1 3.73Å; L480-I508 HydrophobicContact CD2-CG1 4.25Å; L480-I508 HydrophobicContact CG-CG1 4.46Å |
| 481 | M | 92.2 | Very high | 88.1 | Confident | 17 Ų | 17 | 35.5 Ų | 35.5 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 160.7 | 176.7 | 65.2 | -174.6 | 60.1 | 0 | 0 | 111.6 | R470 E471 R485 F486 L489 I505 F506 P507 I508 | R470-M481 CarbonylContact O-C 3.59Å; R470-M481 VanDerWaalsContact O-C 3.28Å; R470-M481 WeakPolarHBondContact O-CA 3.17Å; E471-M481 HydrophobicContact CG-CB 4.28Å; M481-R485 HydrophobicContact SD-CG 4.18Å; M481-F486 HydrophobicContact CG-CB 4.08Å; M481-F486 HydrophobicContact CG-CD2 4.32Å; M481-F486 HydrophobicContact SD-CB 4.32Å; M481-F486 HydrophobicContact SD-CD2 4.35Å; M481-L489 HydrophobicContact CE-CD2 4.4Å; M481-L489 HydrophobicContact SD-CD2 4.19Å; M481-I505 HydrophobicContact CE-CG2 3.44Å; M481-I505 VanDerWaalsContact CE-CG2 3.44Å; M481-I505 HydrophobicContact SD-CG2 4Å; M481-F506 PolarHBondContact N-O 3.26Å; M481-P507 CarbonylContact O-C 3.54Å; M481-P507 WeakPolarHBondContact O-CA 3.46Å; M481-I508 PolarHBondContact O-N 3.08Å |
| 482 | S | 90.9 | Very high | 87.8 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 144.1 | 179 | 74.9 | 0 | 0 | 0 | 0 | 111.2 | R470 E484 R485 F486 | R470-S482 PolarHBondContact O-N 3Å; S482-E484 PolarHBondContact O-N 3.35Å; S482-R485 PolarHBondContact O-N 3.23Å; S482-R485 VanDerWaalsContact OG-CB 3.31Å; S482-R485 WeakPolarHBondContact OG-CB 3.45Å; S482-R485 PolarHBondContact OG-N 3.39Å; S482-F486 PolarHBondContact O-N 2.98Å |
| 483 | Q | 87.2 | Confident | 87.5 | Confident | 44 Ų | 44 | 44.3 Ų | 44.3 | 21% | 0.206 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -52.1 | -40.4 | 177.3 | -175.9 | 65 | 35.6 | 0 | 0 | 112.3 | F486 E487 R510 | Q483-F486 WeakPolarHBondContact O-CB 3.28Å; Q483-F486 PolarHBondContact O-N 2.98Å; Q483-E487 VanDerWaalsContact CG-OE1 3.26Å; Q483-E487 WeakPolarHBondContact CG-OE1 3.01Å; Q483-E487 PolarHBondContact NE2-OE1 3.31Å; Q483-E487 WeakPolarHBondContact O-CB 3.12Å; Q483-E487 WeakPolarHBondContact O-CG 3.48Å; Q483-E487 PolarHBondContact O-N 2.89Å; Q483-R510 HydrophobicContact CB-CG 3.66Å; Q483-R510 HydrophobicContact CG-CG 3.81Å; Q483-R510 VanDerWaalsContact CG-NE 3.33Å |
| 484 | E | 85.9 | Confident | 87.5 | Confident | 105 Ų | 105 | 46 Ų | 46 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 177.7 | -66.2 | 168.7 | -155.1 | 0 | 0 | 112 | R341 S482 L488 | R341-E484 IonicContact NH2-OE1 3.06Å; S482-E484 PolarHBondContact O-N 3.35Å; E484-L488 WeakPolarHBondContact O-CB 3.36Å; E484-L488 PolarHBondContact O-N 3.4Å |
| 485 | R | 86.1 | Confident | 87.5 | Confident | 55 Ų | 55 | 47.6 Ų | 47.6 | 21% | 0.208 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.5 | -36.8 | 176.6 | -171.7 | 177 | 180 | 164.6 | 0.4 | 111.4 | Y12 Y67 E471 M481 S482 L488 L489 | Y12-R485 PolarHBondContact OH-NH1 3.5Å; Y67-R485 PolarHBondContact OH-NH1 3.39Å; Y67-R485 PolarHBondContact OH-NH2 3.39Å; Y67-R485 VanDerWaalsContact OH-NH2 3.12Å; E471-R485 VanDerWaalsContact CD-NH1 3.34Å; E471-R485 WeakPolarHBondContact OE1-CD 3.47Å; E471-R485 IonicContact OE1-CZ 2.65Å; E471-R485 IonicContact OE1-NE 3.77Å; E471-R485 PolarHBondContact OE1-NE 2.84Å; E471-R485 IonicContact OE1-NH1 2.72Å; E471-R485 PolarHBondContact OE1-NH1 3.08Å; E471-R485 IonicContact OE2-NH1 3.93Å; E471-R485 PolarHBondContact OE2-NH1 2.95Å; M481-R485 HydrophobicContact SD-CG 4.18Å; S482-R485 PolarHBondContact O-N 3.23Å; S482-R485 VanDerWaalsContact OG-CB 3.31Å; S482-R485 WeakPolarHBondContact OG-CB 3.45Å; S482-R485 PolarHBondContact OG-N 3.39Å; R485-L488 PolarHBondContact O-N 3.33Å; R485-L489 WeakPolarHBondContact O-CB 3.42Å; R485-L489 PolarHBondContact O-N 3.46Å |
| 486 | F | 88.6 | Confident | 87.8 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 175.6 | -172.6 | -91.9 | 0 | 0 | 0 | 111.2 | M481 S482 Q483 L488 L489 Q490 A497 L500 I505 P507 | M481-F486 HydrophobicContact CG-CB 4.08Å; M481-F486 HydrophobicContact CG-CD2 4.32Å; M481-F486 HydrophobicContact SD-CB 4.32Å; M481-F486 HydrophobicContact SD-CD2 4.35Å; S482-F486 PolarHBondContact O-N 2.98Å; Q483-F486 WeakPolarHBondContact O-CB 3.28Å; Q483-F486 PolarHBondContact O-N 2.98Å; F486-L488 VanDerWaalsContact C-N 3.33Å; F486-L488 PolarHBondContact O-N 3.28Å; F486-L489 WeakPolarHBondContact O-CB 3.13Å; F486-L489 PolarHBondContact O-N 3.03Å; F486-L489 VanDerWaalsContact O-N 3.13Å; F486-Q490 HydrophobicContact CD1-CG 4.17Å; F486-Q490 HydrophobicContact CE1-CG 4.01Å; F486-Q490 WeakPolarHBondContact O-CG 3.49Å; F486-Q490 PolarHBondContact O-N 3.35Å; F486-A497 HydrophobicContact CE1-CB 4.04Å; F486-A497 HydrophobicContact CZ-CB 4.24Å; F486-L500 HydrophobicContact CD2-CD1 4.29Å; F486-L500 HydrophobicContact CE1-CD1 4.06Å; F486-L500 HydrophobicContact CE2-CB 3.78Å; F486-L500 HydrophobicContact CE2-CD1 3.73Å; F486-L500 HydrophobicContact CE2-CG 4.41Å; F486-L500 HydrophobicContact CZ-CB 3.76Å; F486-L500 HydrophobicContact CZ-CD1 3.61Å; F486-L500 HydrophobicContact CZ-CG 4.35Å; F486-I505 HydrophobicContact CD2-CG2 4.07Å; F486-I505 HydrophobicContact CE2-CG2 4.04Å; F486-P507 HydrophobicContact CB-CB 4.08Å; F486-P507 HydrophobicContact CD1-CB 4.13Å; F486-P507 HydrophobicContact CD1-CG 4.35Å; F486-P507 HydrophobicContact CD2-CB 4.09Å; F486-P507 HydrophobicContact CD2-CG 4.43Å; F486-P507 HydrophobicContact CE1-CG 4.34Å; F486-P507 HydrophobicContact CE2-CG 4.42Å; F486-P507 HydrophobicContact CG-CB 3.85Å; F486-P507 HydrophobicContact CG-CG 4.39Å; F486-P507 HydrophobicContact CZ-CG 4.36Å |
| 487 | E | 88.6 | Confident | 88 | Confident | 75 Ų | 75 | 48.5 Ų | 48.5 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.7 | -73.6 | 166.8 | -161.3 | 0 | 0 | 112 | Q483 L489 Q490 A491 R510 | Q483-E487 VanDerWaalsContact CG-OE1 3.26Å; Q483-E487 WeakPolarHBondContact CG-OE1 3.01Å; Q483-E487 PolarHBondContact NE2-OE1 3.31Å; Q483-E487 WeakPolarHBondContact O-CB 3.12Å; Q483-E487 WeakPolarHBondContact O-CG 3.48Å; Q483-E487 PolarHBondContact O-N 2.89Å; E487-L489 VanDerWaalsContact C-N 3.31Å; E487-L489 PolarHBondContact O-N 3.27Å; E487-Q490 WeakPolarHBondContact O-CB 3.43Å; E487-Q490 PolarHBondContact O-N 3.42Å; E487-A491 WeakPolarHBondContact O-CB 3.4Å; E487-A491 PolarHBondContact O-N 3.24Å; E487-R510 VanDerWaalsContact CD-NH2 3.33Å; E487-R510 IonicContact OE1-CZ 3.29Å; E487-R510 IonicContact OE1-NH2 2.92Å; E487-R510 PolarHBondContact OE1-NH2 3.27Å; E487-R510 IonicContact OE2-NH2 3.31Å; E487-R510 PolarHBondContact OE2-NH2 2.96Å; E487-R510 VanDerWaalsContact OE2-NH2 3.08Å |
| 488 | L | 86.3 | Confident | 88.4 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 20% | 0.204 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65 | -36.7 | 175.3 | -171 | 148.1 | 0 | 0 | 0 | 111.7 | E484 R485 F486 A491 K492 | E484-L488 WeakPolarHBondContact O-CB 3.36Å; E484-L488 PolarHBondContact O-N 3.4Å; R485-L488 PolarHBondContact O-N 3.33Å; F486-L488 VanDerWaalsContact C-N 3.33Å; F486-L488 PolarHBondContact O-N 3.28Å; L488-A491 PolarHBondContact O-N 3.01Å; L488-K492 HydrophobicContact CD2-CD 3.76Å; L488-K492 HydrophobicContact CD2-CG 4.29Å; L488-K492 WeakPolarHBondContact O-CB 3.21Å; L488-K492 WeakPolarHBondContact O-CG 3.29Å; L488-K492 PolarHBondContact O-N 3.32Å |
| 489 | L | 86.2 | Confident | 88.4 | Confident | 48 Ų | 48 | 59.5 Ų | 59.5 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 174 | -174.7 | 67.9 | 0 | 0 | 0 | 111.4 | M481 R485 F486 E487 A491 K492 T493 L500 I505 | M481-L489 HydrophobicContact CE-CD2 4.4Å; M481-L489 HydrophobicContact SD-CD2 4.19Å; R485-L489 WeakPolarHBondContact O-CB 3.42Å; R485-L489 PolarHBondContact O-N 3.46Å; F486-L489 WeakPolarHBondContact O-CB 3.13Å; F486-L489 PolarHBondContact O-N 3.03Å; F486-L489 VanDerWaalsContact O-N 3.13Å; E487-L489 VanDerWaalsContact C-N 3.31Å; E487-L489 PolarHBondContact O-N 3.27Å; L489-A491 VanDerWaalsContact C-N 3.34Å; L489-A491 PolarHBondContact O-N 3.47Å; L489-K492 PolarHBondContact O-N 3.13Å; L489-T493 HydrophobicContact CD1-CG2 3.82Å; L489-T493 HydrophobicContact CG-CG2 4.24Å; L489-T493 WeakPolarHBondContact O-CB 3.3Å; L489-T493 WeakPolarHBondContact O-CG2 3.5Å; L489-T493 PolarHBondContact O-N 2.91Å; L489-T493 PolarHBondContact O-OG1 3.12Å; L489-L500 HydrophobicContact CD2-CD1 4.39Å; L489-L500 HydrophobicContact CD2-CD2 3.95Å; L489-L500 HydrophobicContact CG-CD2 4.43Å; L489-I505 HydrophobicContact CD2-CD1 4.3Å; L489-I505 HydrophobicContact CD2-CG2 4.35Å |
| 490 | Q | 88.5 | Confident | 88.3 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 23% | 0.229 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 172.8 | -70.2 | -180 | -62.1 | 0 | 0 | 110.9 | F486 E487 K492 T493 G494 A497 L500 | F486-Q490 HydrophobicContact CD1-CG 4.17Å; F486-Q490 HydrophobicContact CE1-CG 4.01Å; F486-Q490 WeakPolarHBondContact O-CG 3.49Å; F486-Q490 PolarHBondContact O-N 3.35Å; E487-Q490 WeakPolarHBondContact O-CB 3.43Å; E487-Q490 PolarHBondContact O-N 3.42Å; Q490-K492 VanDerWaalsContact C-N 3.34Å; Q490-K492 PolarHBondContact O-N 3.16Å; Q490-T493 PolarHBondContact O-N 2.74Å; Q490-G494 WeakPolarHBondContact O-CA 3.31Å; Q490-G494 PolarHBondContact O-N 2.91Å; Q490-A497 VanDerWaalsContact NE2-CA 3.34Å; Q490-A497 VanDerWaalsContact NE2-N 3.11Å; Q490-L500 HydrophobicContact CG-CD1 3.39Å |
| 491 | A | 88.9 | Confident | 88 | Confident | 79 Ų | 79 | 59.2 Ų | 59.2 | 65% | 0.653 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.6 | -36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E487 L488 L489 | E487-A491 WeakPolarHBondContact O-CB 3.4Å; E487-A491 PolarHBondContact O-N 3.24Å; L488-A491 PolarHBondContact O-N 3.01Å; L489-A491 VanDerWaalsContact C-N 3.34Å; L489-A491 PolarHBondContact O-N 3.47Å |
| 492 | K | 84.8 | Confident | 87.9 | Confident | 127 Ų | 127 | 64 Ų | 64 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -76.1 | -39.3 | 178.4 | -78.7 | -174.7 | 177.3 | 175.5 | 0 | 113.4 | L488 L489 Q490 | L488-K492 HydrophobicContact CD2-CD 3.76Å; L488-K492 HydrophobicContact CD2-CG 4.29Å; L488-K492 WeakPolarHBondContact O-CB 3.21Å; L488-K492 WeakPolarHBondContact O-CG 3.29Å; L488-K492 PolarHBondContact O-N 3.32Å; L489-K492 PolarHBondContact O-N 3.13Å; Q490-K492 VanDerWaalsContact C-N 3.34Å; Q490-K492 PolarHBondContact O-N 3.16Å |
| 493 | T | 86.1 | Confident | 87.8 | Confident | 67 Ų | 67 | 69 Ų | 69 | 41% | 0.411 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -93.1 | -21 | -173.8 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | L489 Q490 L495 | L489-T493 HydrophobicContact CD1-CG2 3.82Å; L489-T493 HydrophobicContact CG-CG2 4.24Å; L489-T493 WeakPolarHBondContact O-CB 3.3Å; L489-T493 WeakPolarHBondContact O-CG2 3.5Å; L489-T493 PolarHBondContact O-N 2.91Å; L489-T493 PolarHBondContact O-OG1 3.12Å; Q490-T493 PolarHBondContact O-N 2.74Å; T493-L495 PolarHBondContact O-N 3.42Å; T493-L495 PolarHBondContact OG1-N 3.33Å |
| 494 | G | 87.5 | Confident | 87.9 | Confident | 69 Ų | 69 | 71 Ų | 71 | 71% | 0.711 | 39% | 0.385 | S | S | * | . | trans | 71.9 | 5.1 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q490 | Q490-G494 WeakPolarHBondContact O-CA 3.31Å; Q490-G494 PolarHBondContact O-N 2.91Å | ||
| 495 | L | 88.2 | Confident | 88.2 | Confident | 41 Ų | 41 | 67.6 Ų | 67.6 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | trans | -77.4 | 140.9 | 179.7 | -64.2 | 170.2 | 0 | 0 | 0 | 110.9 | T493 E499 L500 K503 | T493-L495 PolarHBondContact O-N 3.42Å; T493-L495 PolarHBondContact OG1-N 3.33Å; L495-E499 HydrophobicContact CB-CB 4.4Å; L495-E499 HydrophobicContact CD2-CB 4.33Å; L495-L500 HydrophobicContact CB-CD2 4.15Å; L495-L500 HydrophobicContact CB-CG 4.07Å; L495-L500 HydrophobicContact CD1-CD2 3.85Å; L495-K503 HydrophobicContact CD1-CD 4.48Å | ||
| 496 | S | 89.7 | Confident | 88.6 | Confident | 55 Ų | 55 | 67.8 Ų | 67.8 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | trans | -69.1 | 160.4 | 171.9 | 67.4 | 0 | 0 | 0 | 0 | 111.6 | K498 E499 L500 | S496-K498 PolarHBondContact O-N 3.31Å; S496-E499 PolarHBondContact N-OE2 3.38Å; S496-E499 PolarHBondContact O-N 3.22Å; S496-E499 VanDerWaalsContact OG-CD 3.27Å; S496-E499 VanDerWaalsContact OG-CG 3.26Å; S496-E499 WeakPolarHBondContact OG-CG 3.35Å; S496-E499 PolarHBondContact OG-N 2.99Å; S496-E499 PolarHBondContact OG-OE2 3.44Å; S496-L500 PolarHBondContact O-N 2.99Å; S496-L500 VanDerWaalsContact O-N 3.09Å | ||
| 497 | A | 87.1 | Confident | 88.8 | Confident | 42 Ų | 42 | 69 Ų | 69 | 35% | 0.347 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.2 | -37.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F486 Q490 L500 N501 | F486-A497 HydrophobicContact CE1-CB 4.04Å; F486-A497 HydrophobicContact CZ-CB 4.24Å; Q490-A497 VanDerWaalsContact NE2-CA 3.34Å; Q490-A497 VanDerWaalsContact NE2-N 3.11Å; A497-L500 PolarHBondContact O-N 2.9Å; A497-N501 WeakPolarHBondContact O-CB 3.36Å; A497-N501 PolarHBondContact O-N 3.34Å; A497-N501 PolarHBondContact O-OD1 2.9Å |
| 498 | K | 88.6 | Confident | 89 | Confident | 154 Ų | 154 | 65.7 Ų | 65.7 | 67% | 0.67 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 179 | -167.6 | 179.4 | 178.3 | -176.1 | 0 | 111.8 | S496 L500 N501 D502 | S496-K498 PolarHBondContact O-N 3.31Å; K498-L500 VanDerWaalsContact C-N 3.31Å; K498-L500 PolarHBondContact O-N 2.96Å; K498-N501 PolarHBondContact O-N 3.48Å; K498-D502 PolarHBondContact O-N 3.37Å |
| 499 | E | 90.5 | Very high | 89.2 | Confident | 95 Ų | 95 | 65.2 Ų | 65.2 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67 | -31.2 | 178 | -69.6 | 163.4 | 149.7 | 0 | 0 | 112.9 | L495 S496 K503 | L495-E499 HydrophobicContact CB-CB 4.4Å; L495-E499 HydrophobicContact CD2-CB 4.33Å; S496-E499 PolarHBondContact N-OE2 3.38Å; S496-E499 PolarHBondContact O-N 3.22Å; S496-E499 VanDerWaalsContact OG-CD 3.27Å; S496-E499 VanDerWaalsContact OG-CG 3.26Å; S496-E499 WeakPolarHBondContact OG-CG 3.35Å; S496-E499 PolarHBondContact OG-N 2.99Å; S496-E499 PolarHBondContact OG-OE2 3.44Å; E499-K503 WeakPolarHBondContact O-CG 3.47Å; E499-K503 PolarHBondContact O-N 3.48Å |
| 500 | L | 88.6 | Confident | 89.4 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.3 | -42.5 | 172.2 | -72.7 | 176.3 | 0 | 0 | 0 | 111.6 | F486 L489 Q490 L495 S496 A497 K498 D502 K503 N504 I505 | F486-L500 HydrophobicContact CD2-CD1 4.29Å; F486-L500 HydrophobicContact CE1-CD1 4.06Å; F486-L500 HydrophobicContact CE2-CB 3.78Å; F486-L500 HydrophobicContact CE2-CD1 3.73Å; F486-L500 HydrophobicContact CE2-CG 4.41Å; F486-L500 HydrophobicContact CZ-CB 3.76Å; F486-L500 HydrophobicContact CZ-CD1 3.61Å; F486-L500 HydrophobicContact CZ-CG 4.35Å; L489-L500 HydrophobicContact CD2-CD1 4.39Å; L489-L500 HydrophobicContact CD2-CD2 3.95Å; L489-L500 HydrophobicContact CG-CD2 4.43Å; Q490-L500 HydrophobicContact CG-CD1 3.39Å; L495-L500 HydrophobicContact CB-CD2 4.15Å; L495-L500 HydrophobicContact CB-CG 4.07Å; L495-L500 HydrophobicContact CD1-CD2 3.85Å; S496-L500 PolarHBondContact O-N 2.99Å; S496-L500 VanDerWaalsContact O-N 3.09Å; A497-L500 PolarHBondContact O-N 2.9Å; K498-L500 VanDerWaalsContact C-N 3.31Å; K498-L500 PolarHBondContact O-N 2.96Å; L500-D502 VanDerWaalsContact C-N 3.31Å; L500-D502 PolarHBondContact O-N 2.86Å; L500-K503 CarbonylContact O-C 3.5Å; L500-K503 WeakPolarHBondContact O-CA 3.48Å; L500-K503 WeakPolarHBondContact O-CB 3.42Å; L500-K503 PolarHBondContact O-N 3.43Å; L500-N504 PolarHBondContact O-N 3.48Å; L500-I505 CarbonylContact C-O 3.54Å; L500-I505 HydrophobicContact CB-CB 4.48Å; L500-I505 HydrophobicContact CD2-CD1 4.33Å; L500-I505 PolarHBondContact O-N 3.47Å |
| 501 | N | 88.6 | Confident | 89.4 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 174.9 | -68.3 | -6.8 | 0 | 0 | 0 | 111.4 | A497 K498 K503 N504 I505 F506 | A497-N501 WeakPolarHBondContact O-CB 3.36Å; A497-N501 PolarHBondContact O-N 3.34Å; A497-N501 PolarHBondContact O-OD1 2.9Å; K498-N501 PolarHBondContact O-N 3.48Å; N501-K503 PolarHBondContact O-N 2.87Å; N501-N504 WeakPolarHBondContact O-CA 3.19Å; N501-N504 PolarHBondContact O-N 3.27Å; N501-I505 WeakPolarHBondContact CA-O 3.35Å; N501-I505 PolarHBondContact N-O 3.27Å; N501-I505 PolarHBondContact OD1-O 3.25Å; N501-F506 HydrophobicContact CB-CD1 4.19Å; N501-F506 HydrophobicContact CB-CE1 3.86Å |
| 502 | D | 89.7 | Confident | 89.6 | Confident | 116 Ų | 116 | 59.5 Ų | 59.5 | 62% | 0.62 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64 | -21.3 | 174.2 | -67 | -21.5 | 0 | 0 | 0 | 112.2 | K498 L500 N504 | K498-D502 PolarHBondContact O-N 3.37Å; L500-D502 VanDerWaalsContact C-N 3.31Å; L500-D502 PolarHBondContact O-N 2.86Å; D502-N504 VanDerWaalsContact C-N 3.31Å |
| 503 | K | 87.8 | Confident | 90.1 | Very high | 127 Ų | 127 | 54.9 Ų | 54.9 | 55% | 0.552 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 14.4 | 170.4 | -69.9 | 179.3 | 179.1 | -179.9 | 0 | 113.3 | L495 E499 L500 N501 I505 | L495-K503 HydrophobicContact CD1-CD 4.48Å; E499-K503 WeakPolarHBondContact O-CG 3.47Å; E499-K503 PolarHBondContact O-N 3.48Å; L500-K503 CarbonylContact O-C 3.5Å; L500-K503 WeakPolarHBondContact O-CA 3.48Å; L500-K503 WeakPolarHBondContact O-CB 3.42Å; L500-K503 PolarHBondContact O-N 3.43Å; N501-K503 PolarHBondContact O-N 2.87Å; K503-I505 VanDerWaalsContact C-N 3.25Å; K503-I505 PolarHBondContact O-N 3.45Å |
| 504 | N | 90.5 | Very high | 90.5 | Very high | 87 Ų | 87 | 51.8 Ų | 51.8 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 30.2 | -177.1 | -56.8 | -45.9 | 0 | 0 | 0 | 114.1 | S478 R479 L500 N501 D502 F506 | S478-N504 CarbonylContact C-O 3.54Å; S478-N504 VanDerWaalsContact CA-O 3.24Å; S478-N504 WeakPolarHBondContact CA-O 3.45Å; S478-N504 WeakPolarHBondContact CB-O 3.4Å; R479-N504 PolarHBondContact N-O 2.87Å; L500-N504 PolarHBondContact O-N 3.48Å; N501-N504 WeakPolarHBondContact O-CA 3.19Å; N501-N504 PolarHBondContact O-N 3.27Å; D502-N504 VanDerWaalsContact C-N 3.31Å; N504-F506 HydrophobicContact CB-CE2 4.32Å |
| 505 | I | 92.4 | Very high | 90.9 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 17% | 0.169 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 117.6 | 173.9 | -60.9 | 171.3 | 0 | 0 | 0 | 107.7 | R479 M481 F486 L489 L500 N501 K503 | R479-I505 WeakPolarHBondContact O-CA 3.41Å; M481-I505 HydrophobicContact CE-CG2 3.44Å; M481-I505 VanDerWaalsContact CE-CG2 3.44Å; M481-I505 HydrophobicContact SD-CG2 4Å; F486-I505 HydrophobicContact CD2-CG2 4.07Å; F486-I505 HydrophobicContact CE2-CG2 4.04Å; L489-I505 HydrophobicContact CD2-CD1 4.3Å; L489-I505 HydrophobicContact CD2-CG2 4.35Å; L500-I505 CarbonylContact C-O 3.54Å; L500-I505 HydrophobicContact CB-CB 4.48Å; L500-I505 HydrophobicContact CD2-CD1 4.33Å; L500-I505 PolarHBondContact O-N 3.47Å; N501-I505 WeakPolarHBondContact CA-O 3.35Å; N501-I505 PolarHBondContact N-O 3.27Å; N501-I505 PolarHBondContact OD1-O 3.25Å; K503-I505 VanDerWaalsContact C-N 3.25Å; K503-I505 PolarHBondContact O-N 3.45Å |
| 506 | F | 93.5 | Very high | 91.2 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 26% | 0.259 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 142.8 | -175.2 | -58.8 | -79 | 0 | 0 | 0 | 111.3 | L442 R479 L480 M481 N501 N504 | L442-F506 HydrophobicContact CD2-CB 3.86Å; L442-F506 HydrophobicContact CD2-CG 4.48Å; R479-F506 PolarHBondContact O-N 3.18Å; L480-F506 VanDerWaalsContact CA-O 3.3Å; L480-F506 WeakPolarHBondContact CA-O 3.33Å; L480-F506 HydrophobicContact CG-CB 4.37Å; M481-F506 PolarHBondContact N-O 3.26Å; N501-F506 HydrophobicContact CB-CD1 4.19Å; N501-F506 HydrophobicContact CB-CE1 3.86Å; N504-F506 HydrophobicContact CB-CE2 4.32Å |
| 507 | P | 93.6 | Very high | 91.3 | Very high | 30 Ų | 30 | 44 Ų | 44 | 20% | 0.195 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 142 | 171.5 | 29.3 | -30 | 0 | 0 | 0 | 111.7 | M481 F486 | M481-P507 CarbonylContact O-C 3.54Å; M481-P507 WeakPolarHBondContact O-CA 3.46Å; F486-P507 HydrophobicContact CB-CB 4.08Å; F486-P507 HydrophobicContact CD1-CB 4.13Å; F486-P507 HydrophobicContact CD1-CG 4.35Å; F486-P507 HydrophobicContact CD2-CB 4.09Å; F486-P507 HydrophobicContact CD2-CG 4.43Å; F486-P507 HydrophobicContact CE1-CG 4.34Å; F486-P507 HydrophobicContact CE2-CG 4.42Å; F486-P507 HydrophobicContact CG-CB 3.85Å; F486-P507 HydrophobicContact CG-CG 4.39Å; F486-P507 HydrophobicContact CZ-CG 4.36Å |
| 508 | I | 92.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 126 | 163.9 | -60 | -169.4 | 0 | 0 | 0 | 108.1 | A441 L466 R470 L480 M481 F512 | A441-I508 HydrophobicContact CB-CG2 4.23Å; A441-I508 WeakPolarHBondContact O-CG2 3.35Å; L466-I508 HydrophobicContact CD1-CD1 3.64Å; R470-I508 VanDerWaalsContact C-CD1 3.5Å; R470-I508 HydrophobicContact CB-CD1 4.39Å; R470-I508 WeakPolarHBondContact O-CD1 3.35Å; L480-I508 HydrophobicContact CB-CD1 3.97Å; L480-I508 HydrophobicContact CB-CG1 3.73Å; L480-I508 HydrophobicContact CD2-CG1 4.25Å; L480-I508 HydrophobicContact CG-CG1 4.46Å; M481-I508 PolarHBondContact O-N 3.08Å; I508-F512 HydrophobicContact CG2-CB 4.05Å; I508-F512 HydrophobicContact CG2-CD1 3.88Å; I508-F512 HydrophobicContact CG2-CG 4.26Å |
| 509 | H | 90.6 | Very high | 91.2 | Very high | 30 Ų | 30 | 36.7 Ų | 36.7 | 14% | 0.139 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 139.1 | -177.8 | -168.3 | -77 | 0 | 0 | 0 | 111.5 | N344 A441 G444 S511 F512 | N344-H509 PolarHBondContact ND2-CE1 3.08Å; N344-H509 PolarHBondContact ND2-NE2 3.44Å; N344-H509 PolarHBondContact OD1-CE1 2.83Å; N344-H509 VanDerWaalsContact OD1-CE1 3.27Å; A441-H509 PolarHBondContact O-N 2.79Å; G444-H509 VanDerWaalsContact CA-CB 3.49Å; G444-H509 WeakPolarHBondContact CA-ND1 3.44Å; H509-S511 VanDerWaalsContact C-N 3.28Å; H509-S511 PolarHBondContact CE1-OG 2.95Å; H509-S511 PolarHBondContact ND1-N 2.76Å; H509-S511 VanDerWaalsContact ND1-N 3.16Å; H509-S511 PolarHBondContact ND1-OG 3.28Å; H509-S511 PolarHBondContact O-N 2.91Å; H509-F512 VanDerWaalsContact O-CB 3.28Å; H509-F512 WeakPolarHBondContact O-CB 3.43Å; H509-F512 PolarHBondContact O-N 2.79Å |
| 510 | R | 88.9 | Confident | 90.3 | Very high | 51 Ų | 51 | 34.1 Ų | 34.1 | 19% | 0.192 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -33.7 | -173.1 | -68.4 | -176.2 | -178.9 | -170.7 | 5.6 | 113.4 | D322 R341 Q483 E487 F512 | D322-R510 WeakPolarHBondContact OD1-CD 3.48Å; D322-R510 IonicContact OD1-CZ 2.75Å; D322-R510 IonicContact OD1-NE 3.02Å; D322-R510 IonicContact OD1-NH1 3.3Å; D322-R510 PolarHBondContact OD1-NH1 3.38Å; D322-R510 VanDerWaalsContact OD1-NH1 3.12Å; D322-R510 IonicContact OD2-NH1 3.94Å; D322-R510 PolarHBondContact OD2-NH1 3.28Å; R341-R510 WeakPolarHBondContact CD-O 3.33Å; R341-R510 PolarHBondContact NH1-O 3.19Å; Q483-R510 HydrophobicContact CB-CG 3.66Å; Q483-R510 HydrophobicContact CG-CG 3.81Å; Q483-R510 VanDerWaalsContact CG-NE 3.33Å; E487-R510 VanDerWaalsContact CD-NH2 3.33Å; E487-R510 IonicContact OE1-CZ 3.29Å; E487-R510 IonicContact OE1-NH2 2.92Å; E487-R510 PolarHBondContact OE1-NH2 3.27Å; E487-R510 IonicContact OE2-NH2 3.31Å; E487-R510 PolarHBondContact OE2-NH2 2.96Å; E487-R510 VanDerWaalsContact OE2-NH2 3.08Å; R510-F512 VanDerWaalsContact C-N 3.3Å |
| 511 | S | 89.9 | Confident | 89.2 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -9.8 | 178.1 | 65.8 | 0 | 0 | 0 | 0 | 113.6 | A342 N344 Y402 G444 H509 R513 | A342-S511 VanDerWaalsContact O-CB 3.22Å; A342-S511 WeakPolarHBondContact O-CB 3.49Å; N344-S511 PolarHBondContact OD1-OG 3.38Å; Y402-S511 WeakPolarHBondContact CE1-O 3.35Å; G444-S511 WeakPolarHBondContact CA-OG 3.48Å; G444-S511 PolarHBondContact O-OG 2.74Å; H509-S511 VanDerWaalsContact C-N 3.28Å; H509-S511 PolarHBondContact CE1-OG 2.95Å; H509-S511 PolarHBondContact ND1-N 2.76Å; H509-S511 VanDerWaalsContact ND1-N 3.16Å; H509-S511 PolarHBondContact ND1-OG 3.28Å; H509-S511 PolarHBondContact O-N 2.91Å; S511-R513 PolarHBondContact O-N 2.85Å |
| 512 | F | 93.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | trans | -55.4 | 130.1 | 178.4 | 172.6 | -116.8 | 0 | 0 | 0 | 112.5 | L437 A440 A441 Y445 C447 L466 I508 H509 R510 I514 | L437-F512 HydrophobicContact CD1-CE2 4.41Å; L437-F512 HydrophobicContact CD1-CZ 3.94Å; A440-F512 HydrophobicContact CB-CD2 4.16Å; A440-F512 HydrophobicContact CB-CE2 3.83Å; A440-F512 VanDerWaalsContact O-CD2 3.27Å; A440-F512 WeakPolarHBondContact O-CD2 3.47Å; A441-F512 VanDerWaalsContact CA-CD2 3.4Å; A441-F512 HydrophobicContact CB-CD1 4.1Å; A441-F512 HydrophobicContact CB-CD2 4.15Å; A441-F512 HydrophobicContact CB-CE1 4Å; A441-F512 HydrophobicContact CB-CE2 4.05Å; A441-F512 HydrophobicContact CB-CG 4.16Å; A441-F512 HydrophobicContact CB-CZ 3.96Å; Y445-F512 WeakPolarHBondContact O-CD2 3.18Å; C447-F512 HydrophobicContact CB-CE2 4.08Å; L466-F512 HydrophobicContact CD1-CE1 3.87Å; L466-F512 HydrophobicContact CD2-CE1 4.2Å; L466-F512 HydrophobicContact CD2-CZ 4.14Å; L466-F512 HydrophobicContact CG-CE1 4Å; L466-F512 HydrophobicContact CG-CZ 4.44Å; I508-F512 HydrophobicContact CG2-CB 4.05Å; I508-F512 HydrophobicContact CG2-CD1 3.88Å; I508-F512 HydrophobicContact CG2-CG 4.26Å; H509-F512 VanDerWaalsContact O-CB 3.28Å; H509-F512 WeakPolarHBondContact O-CB 3.43Å; H509-F512 PolarHBondContact O-N 2.79Å; R510-F512 VanDerWaalsContact C-N 3.3Å; F512-I514 HydrophobicContact CE1-CD1 4Å; F512-I514 HydrophobicContact CE1-CG1 4Å; F512-I514 HydrophobicContact CE2-CG1 4.16Å; F512-I514 HydrophobicContact CZ-CD1 3.73Å; F512-I514 HydrophobicContact CZ-CG1 3.51Å | ||
| 513 | R | 94.5 | Very high | 85.1 | Confident | 30 Ų | 30 | 42 Ų | 42 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 150.6 | -179.4 | -73.7 | -64.7 | 178.4 | -96.6 | 7.8 | 111.5 | D378 Y402 Y445 L446 C447 S511 | D378-R513 WeakPolarHBondContact OD1-CD 3.14Å; Y402-R513 HydrophobicContact CE1-CG 4.47Å; Y445-R513 PolarHBondContact O-N 2.69Å; L446-R513 CarbonylContact C-O 3.52Å; L446-R513 WeakPolarHBondContact CA-O 3.11Å; L446-R513 HydrophobicContact CD1-CB 3.52Å; C447-R513 PolarHBondContact N-O 3.28Å; S511-R513 PolarHBondContact O-N 2.85Å |
| 514 | I | 95.4 | Very high | 82.6 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.5 | 176.8 | -59.4 | 170.3 | 0 | 0 | 0 | 109.4 | D378 F379 L437 C447 L449 L466 I467 F512 F539 | D378-I514 HydrophobicContact CB-CB 4.07Å; D378-I514 WeakPolarHBondContact CB-O 3.46Å; D378-I514 PolarHBondContact OD1-N 3.01Å; F379-I514 PolarHBondContact N-O 2.95Å; L437-I514 HydrophobicContact CD1-CD1 4.09Å; L437-I514 HydrophobicContact CD1-CG1 4.32Å; C447-I514 WeakPolarHBondContact O-CA 3.45Å; L449-I514 HydrophobicContact CD1-CG2 3.58Å; L449-I514 HydrophobicContact CG-CG2 3.8Å; L466-I514 HydrophobicContact CD2-CD1 4.21Å; L466-I514 HydrophobicContact CG-CD1 4.43Å; I467-I514 HydrophobicContact CG1-CD1 3.81Å; F512-I514 HydrophobicContact CE1-CD1 4Å; F512-I514 HydrophobicContact CE1-CG1 4Å; F512-I514 HydrophobicContact CE2-CG1 4.16Å; F512-I514 HydrophobicContact CZ-CD1 3.73Å; F512-I514 HydrophobicContact CZ-CG1 3.51Å; I514-F539 HydrophobicContact CG2-CE1 3.96Å; I514-F539 HydrophobicContact CG2-CZ 4.43Å |
| 515 | V | 95.5 | Very high | 80.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 113.6 | 168.4 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | F379 L381 I393 L446 C447 V448 L449 | F379-V515 HydrophobicContact CD2-CG1 4.25Å; F379-V515 HydrophobicContact CE1-CG2 3.84Å; F379-V515 HydrophobicContact CE2-CB 4.47Å; F379-V515 HydrophobicContact CE2-CG1 3.75Å; F379-V515 HydrophobicContact CE2-CG2 3.92Å; F379-V515 HydrophobicContact CZ-CG1 4.2Å; F379-V515 HydrophobicContact CZ-CG2 3.52Å; F379-V515 CarbonylContact O-C 3.6Å; F379-V515 WeakPolarHBondContact O-CA 3.46Å; L381-V515 HydrophobicContact CG-CG1 4.3Å; I393-V515 HydrophobicContact CD1-CG1 3.84Å; I393-V515 HydrophobicContact CG1-CG1 3.96Å; L446-V515 HydrophobicContact CD1-CG2 3.73Å; L446-V515 HydrophobicContact CD2-CG2 4.38Å; L446-V515 HydrophobicContact CG-CG2 4.27Å; C447-V515 PolarHBondContact O-N 3.42Å; V448-V515 CarbonylContact C-O 3.55Å; V448-V515 VanDerWaalsContact CA-O 3.22Å; V448-V515 WeakPolarHBondContact CA-O 3.46Å; L449-V515 PolarHBondContact N-O 2.93Å |
| 516 | A | 94.6 | Very high | 77.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 155.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F379 C380 L381 L449 I452 F539 | F379-A516 PolarHBondContact O-N 3.33Å; C380-A516 CarbonylContact C-O 3.39Å; C380-A516 VanDerWaalsContact CA-O 3.25Å; C380-A516 WeakPolarHBondContact CA-O 3.49Å; C380-A516 HydrophobicContact CB-CB 3.82Å; L381-A516 PolarHBondContact N-O 3.05Å; L449-A516 HydrophobicContact CB-CB 4.33Å; L449-A516 CarbonylContact O-C 3.48Å; L449-A516 WeakPolarHBondContact O-CA 3.24Å; I452-A516 HydrophobicContact CD1-CB 4.05Å; I452-A516 HydrophobicContact CG1-CB 4.39Å; I452-A516 HydrophobicContact CG2-CB 3.62Å; A516-F539 HydrophobicContact CB-CD1 4.42Å; A516-F539 HydrophobicContact CB-CD2 4.44Å; A516-F539 HydrophobicContact CB-CE1 4.11Å; A516-F539 HydrophobicContact CB-CE2 4.13Å; A516-F539 HydrophobicContact CB-CZ 3.95Å |
| 517 | T | 92 | Very high | 75.3 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.8 | 168.4 | 70 | 0 | 0 | 0 | 0 | 110.3 | L381 I393 V448 L449 D450 G451 I452 | L381-T517 WeakPolarHBondContact O-CA 3.44Å; I393-T517 HydrophobicContact CD1-CG2 3.6Å; V448-T517 HydrophobicContact CG1-CG2 4.41Å; L449-T517 PolarHBondContact O-N 3.15Å; D450-T517 VanDerWaalsContact CA-OG1 3.26Å; D450-T517 WeakPolarHBondContact CA-OG1 3.03Å; D450-T517 PolarHBondContact OD1-OG1 3.42Å; G451-T517 WeakPolarHBondContact CA-O 3.32Å; G451-T517 PolarHBondContact N-O 3.45Å; G451-T517 VanDerWaalsContact N-O 3.15Å; G451-T517 PolarHBondContact N-OG1 3.24Å; I452-T517 PolarHBondContact N-O 3.14Å |
| 518 | A | 89.2 | Confident | 73.1 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 162.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L381 L382 G383 I452 H453 F530 | L381-A518 PolarHBondContact O-N 2.89Å; L382-A518 HydrophobicContact CD2-CB 3.8Å; G383-A518 PolarHBondContact N-O 2.7Å; I452-A518 HydrophobicContact CD1-CB 4.29Å; I452-A518 HydrophobicContact CG1-CB 3.7Å; H453-A518 HydrophobicContact CB-CB 4.08Å; A518-F530 HydrophobicContact CB-CE1 4.15Å; A518-F530 HydrophobicContact CB-CE2 3.73Å; A518-F530 HydrophobicContact CB-CZ 3.38Å |
| 519 | E | 82.7 | Confident | 71.9 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 19% | 0.192 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -98.4 | 135 | 173.6 | -70.3 | 171.7 | -161.8 | 0 | 0 | 109.6 | R385 F530 | R385-E519 WeakPolarHBondContact CD-OE1 3.36Å; R385-E519 HydrophobicContact CG-CG 4.42Å; R385-E519 WeakPolarHBondContact CG-OE1 3.5Å; R385-E519 IonicContact CZ-OE1 2.7Å; R385-E519 IonicContact CZ-OE2 2.83Å; R385-E519 IonicContact NE-OE1 3.34Å; R385-E519 PolarHBondContact NE-OE1 2.98Å; R385-E519 IonicContact NE-OE2 3.9Å; R385-E519 PolarHBondContact NE-OE2 2.97Å; R385-E519 IonicContact NH2-OE1 2.67Å; R385-E519 IonicContact NH2-OE2 3.94Å; R385-E519 PolarHBondContact NH2-OE2 3.47Å; E519-F530 WeakPolarHBondContact O-CE1 3.42Å |
| 520 | P | 73.7 | Confident | 71.3 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 26% | 0.26 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -67 | 140 | 174.6 | 28.6 | -33.1 | 0 | 0 | 0 | 110 | G383 Q384 Q522 | G383-P520 VanDerWaalsContact C-CD 3.49Å; G383-P520 WeakPolarHBondContact O-CD 3.39Å; Q384-P520 HydrophobicContact CG-CG 4.31Å; P520-Q522 PolarHBondContact O-N 3.37Å |
| 521 | T | 63.5 | Low | 71.1 | Confident | 62 Ų | 62 | 47 Ų | 47 | 38% | 0.38 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -66.4 | 125.6 | 174.9 | 41.8 | 0 | 0 | 0 | 0 | 110.8 | F530 | T521-F530 HydrophobicContact CG2-CD1 4.26Š|
| 522 | Q | 50.2 | Low | 70.8 | Confident | 173 Ų | 173 | 48 Ų | 48 | 81% | 0.808 | 26% | 0.255 | S | S | * | . | trans | -82 | -18.7 | 175.9 | -65.4 | -173.4 | 5 | 0 | 0 | 112.8 | P520 | P520-Q522 PolarHBondContact O-N 3.37Š| ||
| 523 | E | 42 | Very low | 70.6 | Confident | 105 Ų | 105 | 48.7 Ų | 48.7 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -86.4 | 132.8 | -174.8 | -63.2 | -179.6 | 174.8 | 0 | 0 | 110.9 | D525 R528 | E523-D525 PolarHBondContact O-N 2.7Å; E523-R528 IonicContact OE1-NH1 3.75Å; E523-R528 PolarHBondContact OE1-NH1 3.5Å; E523-R528 WeakPolarHBondContact OE2-CD 3.47Å; E523-R528 IonicContact OE2-CZ 3.87Å; E523-R528 IonicContact OE2-NE 2.91Å; E523-R528 IonicContact OE2-NH1 3.08Å; E523-R528 PolarHBondContact OE2-NH1 3.36Å |
| 524 | A | 35.6 | Very low | 70.2 | Confident | 94 Ų | 94 | 47.6 Ų | 47.6 | 78% | 0.777 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -66.1 | -14.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S526 | A524-S526 PolarHBondContact O-N 2.97Å; A524-S526 VanDerWaalsContact O-N 3.11Å |
| 525 | D | 39.1 | Very low | 69.8 | Low | 103 Ų | 103 | 47.8 Ų | 47.8 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | trans | -73.2 | 105.3 | -179.5 | -80.2 | -16.5 | 0 | 0 | 0 | 111 | E523 F527 R528 | E523-D525 PolarHBondContact O-N 2.7Å; D525-F527 PolarHBondContact O-N 3.04Å; D525-R528 PolarHBondContact O-N 3.18Å | ||
| 526 | S | 42.6 | Very low | 69.6 | Low | 61 Ų | 61 | 48 Ų | 48 | 43% | 0.427 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -52.7 | -29.4 | 178.8 | -39.2 | 0 | 0 | 0 | 0 | 112.5 | A524 R528 S529 | A524-S526 PolarHBondContact O-N 2.97Å; A524-S526 VanDerWaalsContact O-N 3.11Å; S526-R528 VanDerWaalsContact C-N 3.31Å; S526-R528 PolarHBondContact O-N 2.99Å; S526-S529 WeakPolarHBondContact O-CB 3.34Å; S526-S529 PolarHBondContact O-N 2.78Å |
| 527 | F | 41.2 | Very low | 69.4 | Low | 112 Ų | 112 | 48.1 Ų | 48.1 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -64.4 | -28.2 | 176.2 | -91.3 | -79.9 | 0 | 0 | 0 | 114.4 | R185 D525 | R185-F527 PolarHBondContact NH2-O 3.23Å; D525-F527 PolarHBondContact O-N 3.04Å |
| 528 | R | 47.8 | Very low | 69.3 | Low | 97 Ų | 97 | 48 Ų | 48 | 37% | 0.366 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -91.8 | -5.9 | -178.6 | -69.3 | -175.5 | 177.2 | -174.7 | 4.6 | 113.2 | E523 D525 S526 F530 | E523-R528 IonicContact OE1-NH1 3.75Å; E523-R528 PolarHBondContact OE1-NH1 3.5Å; E523-R528 WeakPolarHBondContact OE2-CD 3.47Å; E523-R528 IonicContact OE2-CZ 3.87Å; E523-R528 IonicContact OE2-NE 2.91Å; E523-R528 IonicContact OE2-NH1 3.08Å; E523-R528 PolarHBondContact OE2-NH1 3.36Å; D525-R528 PolarHBondContact O-N 3.18Å; S526-R528 VanDerWaalsContact C-N 3.31Å; S526-R528 PolarHBondContact O-N 2.99Å; R528-F530 PolarHBondContact O-N 2.85Å |
| 529 | S | 67 | Low | 69.5 | Low | 16 Ų | 16 | 48 Ų | 48 | 11% | 0.112 | 26% | 0.259 | C | S | . | . | trans | -63.6 | 124.5 | 176.1 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | S526 L531 | S526-S529 WeakPolarHBondContact O-CB 3.34Å; S526-S529 PolarHBondContact O-N 2.78Å; S529-L531 PolarHBondContact O-N 2.73Å; S529-L531 WeakPolarHBondContact OG-CB 3.49Å; S529-L531 PolarHBondContact OG-N 2.93Å | ||
| 530 | F | 79.3 | Confident | 70 | Confident | 29 Ų | 29 | 46 Ų | 46 | 13% | 0.127 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -69.4 | -15.7 | 171.7 | 84.1 | -83.1 | 0 | 0 | 0 | 112 | L382 I452 H453 A518 E519 T521 R528 T532 V535 | L382-F530 HydrophobicContact CD2-CZ 3.76Å; I452-F530 HydrophobicContact CD1-CE2 4.08Å; I452-F530 HydrophobicContact CG1-CE2 4.23Å; H453-F530 HydrophobicContact CB-CB 4.21Å; H453-F530 HydrophobicContact CB-CD1 3.73Å; H453-F530 HydrophobicContact CB-CD2 3.86Å; H453-F530 HydrophobicContact CB-CE1 4.07Å; H453-F530 HydrophobicContact CB-CE2 4.18Å; H453-F530 HydrophobicContact CB-CG 3.63Å; H453-F530 HydrophobicContact CB-CZ 4.29Å; A518-F530 HydrophobicContact CB-CE1 4.15Å; A518-F530 HydrophobicContact CB-CE2 3.73Å; A518-F530 HydrophobicContact CB-CZ 3.38Å; E519-F530 WeakPolarHBondContact O-CE1 3.42Å; T521-F530 HydrophobicContact CG2-CD1 4.26Å; R528-F530 PolarHBondContact O-N 2.85Å; F530-T532 PolarHBondContact O-N 2.61Å; F530-V535 HydrophobicContact CD2-CG1 4.32Å; F530-V535 HydrophobicContact CE2-CG1 4.23Å; F530-V535 WeakPolarHBondContact O-CG2 3.41Å |
| 531 | L | 83.7 | Confident | 70.9 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | trans | -75.7 | 65.7 | 175.9 | -64.1 | 171.3 | 0 | 0 | 0 | 110.5 | P278 L279 L382 S529 V535 L536 F541 | P278-L531 HydrophobicContact CG-CD1 4.31Å; L279-L531 HydrophobicContact CD1-CD1 3.99Å; L382-L531 HydrophobicContact CD1-CD1 4.45Å; L382-L531 HydrophobicContact CD1-CD2 4.48Å; S529-L531 PolarHBondContact O-N 2.73Å; S529-L531 WeakPolarHBondContact OG-CB 3.49Å; S529-L531 PolarHBondContact OG-N 2.93Å; L531-V535 HydrophobicContact CD2-CG1 4.5Å; L531-L536 HydrophobicContact CB-CD2 4.45Å; L531-L536 HydrophobicContact CD2-CD2 4.25Å; L531-F541 HydrophobicContact CD2-CD1 4.38Å; L531-F541 HydrophobicContact CD2-CE1 3.69Å; L531-F541 HydrophobicContact CD2-CZ 3.9Å | ||
| 532 | T | 85.2 | Confident | 72.2 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | trans | -73.8 | 163.8 | 171.4 | 68.7 | 0 | 0 | 0 | 0 | 110.5 | F530 E534 V535 L536 | F530-T532 PolarHBondContact O-N 2.61Å; T532-E534 PolarHBondContact O-N 3.33Å; T532-E534 VanDerWaalsContact O-N 3.13Å; T532-E534 PolarHBondContact OG1-N 2.78Å; T532-V535 PolarHBondContact O-N 2.95Å; T532-V535 PolarHBondContact OG1-N 2.84Å; T532-L536 WeakPolarHBondContact O-CG 3.27Å; T532-L536 PolarHBondContact O-N 3.04Å | ||
| 533 | S | 87.4 | Confident | 73.9 | Confident | 16 Ų | 16 | 35.8 Ų | 35.8 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.7 | -28 | 173.7 | -57.3 | 0 | 0 | 0 | 0 | 113.5 | D248 A537 | D248-S533 PolarHBondContact N-OG 3.43Å; S533-A537 WeakPolarHBondContact O-CB 3.5Å; S533-A537 PolarHBondContact O-N 2.79Å |
| 534 | E | 85.8 | Confident | 76 | Confident | 7 Ų | 7 | 30.8 Ų | 30.8 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.8 | -45 | 175.7 | -61.5 | 155.7 | 159.5 | 0 | 0 | 111.2 | P48 L179 T532 A537 L538 | P48-E534 HydrophobicContact CB-CB 4.44Å; P48-E534 HydrophobicContact CB-CG 3.98Å; P48-E534 HydrophobicContact CG-CG 3.89Å; L179-E534 HydrophobicContact CD1-CG 4.27Å; L179-E534 WeakPolarHBondContact CD1-OE1 3.39Å; T532-E534 PolarHBondContact O-N 3.33Å; T532-E534 VanDerWaalsContact O-N 3.13Å; T532-E534 PolarHBondContact OG1-N 2.78Å; E534-A537 PolarHBondContact O-N 3.07Å; E534-L538 WeakPolarHBondContact O-CG 3.34Å; E534-L538 PolarHBondContact O-N 3.16Å |
| 535 | V | 88.7 | Confident | 78 | Confident | 6 Ų | 6 | 27.4 Ų | 27.4 | 4% | 0.036 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.9 | -38.8 | 178.6 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | I452 L460 F530 L531 T532 A537 L538 F541 | I452-V535 HydrophobicContact CD1-CG1 4.34Å; L460-V535 HydrophobicContact CD1-CG2 3.98Å; F530-V535 HydrophobicContact CD2-CG1 4.32Å; F530-V535 HydrophobicContact CE2-CG1 4.23Å; F530-V535 WeakPolarHBondContact O-CG2 3.41Å; L531-V535 HydrophobicContact CD2-CG1 4.5Å; T532-V535 PolarHBondContact O-N 2.95Å; T532-V535 PolarHBondContact OG1-N 2.84Å; V535-A537 PolarHBondContact O-N 2.91Å; V535-L538 PolarHBondContact O-N 3.33Å; V535-L538 VanDerWaalsContact O-N 3.15Å; V535-F541 HydrophobicContact CG1-CZ 4.17Å |
| 536 | L | 90.1 | Very high | 79.5 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.4 | -30.5 | 175 | -69.7 | -177.5 | 0 | 0 | 0 | 112.7 | P247 P250 H253 Y277 P278 L531 T532 L538 F541 | P247-L536 HydrophobicContact CB-CD1 3.8Å; P247-L536 HydrophobicContact CG-CD1 3.82Å; P250-L536 HydrophobicContact CB-CB 4.32Å; P250-L536 WeakPolarHBondContact CB-O 3.35Å; P250-L536 HydrophobicContact CG-CB 4.21Å; P250-L536 WeakPolarHBondContact CG-O 3.29Å; H253-L536 PolarHBondContact CD2-O 3.49Å; H253-L536 PolarHBondContact NE2-O 3.41Å; H253-L536 VanDerWaalsContact NE2-O 3.14Å; Y277-L536 HydrophobicContact CD2-CD1 3.81Å; Y277-L536 HydrophobicContact CE2-CD1 3.68Å; P278-L536 HydrophobicContact CG-CD2 4.37Å; L531-L536 HydrophobicContact CB-CD2 4.45Å; L531-L536 HydrophobicContact CD2-CD2 4.25Å; T532-L536 WeakPolarHBondContact O-CG 3.27Å; T532-L536 PolarHBondContact O-N 3.04Å; L536-L538 VanDerWaalsContact C-N 3.33Å; L536-F541 HydrophobicContact CD2-CD2 4.16Å; L536-F541 HydrophobicContact CD2-CE2 3.49Å; L536-F541 VanDerWaalsContact CD2-CE2 3.49Å; L536-F541 HydrophobicContact CD2-CZ 3.94Å |
| 537 | A | 90.1 | Very high | 80.8 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 3% | 0.025 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -73.2 | -25.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P250 H253 H468 S533 E534 V535 | P250-A537 HydrophobicContact CB-CB 4.42Å; H253-A537 PolarHBondContact CE1-O 3.04Å; H253-A537 VanDerWaalsContact CE1-O 3.25Å; H253-A537 PolarHBondContact NE2-O 3.37Å; H468-A537 PolarHBondContact CE1-O 3.34Å; H468-A537 PolarHBondContact NE2-O 3.3Å; S533-A537 WeakPolarHBondContact O-CB 3.5Å; S533-A537 PolarHBondContact O-N 2.79Å; E534-A537 PolarHBondContact O-N 3.07Å; V535-A537 PolarHBondContact O-N 2.91Å |
| 538 | L | 90.8 | Very high | 82 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -78.1 | -45.3 | -174.5 | -75.3 | 174.1 | 0 | 0 | 0 | 113.9 | H377 L460 Q464 I467 E534 V535 L536 | H377-L538 PolarHBondContact CE1-O 2.89Å; L460-L538 HydrophobicContact CB-CD1 4.22Å; Q464-L538 HydrophobicContact CB-CD2 4.07Å; Q464-L538 HydrophobicContact CG-CD2 3.45Å; Q464-L538 VanDerWaalsContact CG-CD2 3.45Å; Q464-L538 HydrophobicContact CG-CG 4.37Å; I467-L538 HydrophobicContact CD1-CD2 3.96Å; I467-L538 VanDerWaalsContact CG2-O 3.28Å; I467-L538 WeakPolarHBondContact CG2-O 3.17Å; E534-L538 WeakPolarHBondContact O-CG 3.34Å; E534-L538 PolarHBondContact O-N 3.16Å; V535-L538 PolarHBondContact O-N 3.33Å; V535-L538 VanDerWaalsContact O-N 3.15Å; L536-L538 VanDerWaalsContact C-N 3.33Å |
| 539 | F | 93 | Very high | 82.6 | Confident | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | trans | -127.2 | 148 | -168 | -62.2 | -73.2 | 0 | 0 | 0 | 112 | H253 D378 C380 L449 I452 I467 I514 A516 F541 | H253-F539 PolarHBondContact NE2-O 3.14Å; D378-F539 HydrophobicContact CB-CD1 4.21Å; D378-F539 HydrophobicContact CB-CE1 4.32Å; C380-F539 HydrophobicContact CB-CB 3.83Å; C380-F539 HydrophobicContact CB-CD2 4.45Å; C380-F539 HydrophobicContact CB-CG 4.1Å; L449-F539 HydrophobicContact CD1-CZ 4.39Å; I452-F539 HydrophobicContact CD1-CD2 4.27Å; I452-F539 HydrophobicContact CD1-CE2 4.29Å; I467-F539 HydrophobicContact CD1-CE1 3.69Å; I467-F539 HydrophobicContact CD1-CE2 4.22Å; I467-F539 HydrophobicContact CD1-CZ 3.48Å; I467-F539 VanDerWaalsContact CD1-CZ 3.48Å; I467-F539 HydrophobicContact CG1-CE1 4.45Å; I514-F539 HydrophobicContact CG2-CE1 3.96Å; I514-F539 HydrophobicContact CG2-CZ 4.43Å; A516-F539 HydrophobicContact CB-CD1 4.42Å; A516-F539 HydrophobicContact CB-CD2 4.44Å; A516-F539 HydrophobicContact CB-CE1 4.11Å; A516-F539 HydrophobicContact CB-CE2 4.13Å; A516-F539 HydrophobicContact CB-CZ 3.95Å; F539-F541 HydrophobicContact CB-CZ 4.27Å; F539-F541 WeakPolarHBondContact O-CD2 3.46Å; F539-F541 WeakPolarHBondContact O-CE2 3.44Å | ||
| 540 | L | 93.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 150.7 | 156.6 | -61.4 | 176.6 | 0 | 0 | 0 | 109.6 | H253 F275 A373 L376 H377 D378 F379 C380 | H253-L540 HydrophobicContact CB-CD2 4.2Å; F275-L540 HydrophobicContact CB-CB 4.48Å; F275-L540 HydrophobicContact CB-CD2 4.28Å; F275-L540 CarbonylContact O-C 3.41Å; F275-L540 WeakPolarHBondContact O-CA 3.33Å; A373-L540 HydrophobicContact CB-CB 4.39Å; A373-L540 HydrophobicContact CB-CD1 4.41Å; L376-L540 HydrophobicContact CB-CD1 3.62Å; L376-L540 HydrophobicContact CD1-CD1 3.82Å; L376-L540 HydrophobicContact CG-CD1 4.37Å; H377-L540 HydrophobicContact CB-CD1 3.92Å; H377-L540 HydrophobicContact CB-CG 4.18Å; D378-L540 PolarHBondContact O-N 3.46Å; F379-L540 CarbonylContact C-O 3.48Å; F379-L540 WeakPolarHBondContact CA-O 3.39Å; F379-L540 HydrophobicContact CB-CB 4.14Å; F379-L540 VanDerWaalsContact CB-O 3.3Å; F379-L540 WeakPolarHBondContact CB-O 3.35Å; C380-L540 PolarHBondContact N-O 3.41Å |
| 541 | F | 92.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.7 | -175.7 | -62.3 | -86.4 | 0 | 0 | 0 | 112.1 | F275 P278 C380 L382 L531 V535 L536 F539 | F275-F541 WeakPolarHBondContact CA-O 3.31Å; F275-F541 PolarHBondContact O-N 2.99Å; P278-F541 HydrophobicContact CB-CB 4.05Å; P278-F541 HydrophobicContact CB-CG 4.48Å; P278-F541 HydrophobicContact CG-CB 3.81Å; P278-F541 HydrophobicContact CG-CD1 4.33Å; P278-F541 HydrophobicContact CG-CD2 3.83Å; P278-F541 HydrophobicContact CG-CG 3.71Å; C380-F541 HydrophobicContact CB-CD1 3.72Å; C380-F541 HydrophobicContact CB-CE1 3.8Å; C380-F541 CarbonylContact O-C 3.56Å; C380-F541 WeakPolarHBondContact O-CA 3.4Å; L382-F541 HydrophobicContact CD1-CB 3.95Å; L382-F541 HydrophobicContact CD1-CD1 3.55Å; L382-F541 HydrophobicContact CD1-CE1 4.38Å; L382-F541 HydrophobicContact CD1-CG 3.97Å; L382-F541 HydrophobicContact CD2-CD1 3.88Å; L382-F541 HydrophobicContact CD2-CE1 4.26Å; L382-F541 HydrophobicContact CG-CB 4.35Å; L382-F541 HydrophobicContact CG-CD1 3.66Å; L382-F541 HydrophobicContact CG-CE1 4.49Å; L382-F541 HydrophobicContact CG-CG 4.4Å; L531-F541 HydrophobicContact CD2-CD1 4.38Å; L531-F541 HydrophobicContact CD2-CE1 3.69Å; L531-F541 HydrophobicContact CD2-CZ 3.9Å; V535-F541 HydrophobicContact CG1-CZ 4.17Å; L536-F541 HydrophobicContact CD2-CD2 4.16Å; L536-F541 HydrophobicContact CD2-CE2 3.49Å; L536-F541 VanDerWaalsContact CD2-CE2 3.49Å; L536-F541 HydrophobicContact CD2-CZ 3.94Å; F539-F541 HydrophobicContact CB-CZ 4.27Å; F539-F541 WeakPolarHBondContact O-CD2 3.46Å; F539-F541 WeakPolarHBondContact O-CE2 3.44Å |
| 542 | V | 91.5 | Very high | 80.9 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 115.1 | 169.6 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | F275 A369 M370 A373 F379 C380 L381 L382 | F275-V542 HydrophobicContact CD1-CG2 4.29Å; F275-V542 HydrophobicContact CE1-CG2 4.15Å; A369-V542 HydrophobicContact CB-CG1 3.92Å; M370-V542 HydrophobicContact CG-CG1 4.24Å; M370-V542 HydrophobicContact CG-CG2 4.43Å; A373-V542 HydrophobicContact CB-CG2 4.07Å; F379-V542 HydrophobicContact CD2-CG2 4.49Å; C380-V542 PolarHBondContact O-N 3.44Å; L381-V542 CarbonylContact C-O 3.46Å; L381-V542 WeakPolarHBondContact CA-O 3.47Å; L381-V542 HydrophobicContact CD2-CB 3.81Å; L381-V542 HydrophobicContact CD2-CG1 4.28Å; L382-V542 PolarHBondContact N-O 3.48Å |
| 543 | R | 86 | Confident | 79.7 | Confident | 59 Ų | 59 | 28.8 Ų | 28.8 | 22% | 0.223 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 127.3 | 177.9 | -173 | 172.8 | 174.7 | 140.3 | -4.2 | 110.2 | S282 L305 L382 D545 | S282-R543 VanDerWaalsContact CB-NH1 3.34Å; S282-R543 PolarHBondContact OG-NH1 3.38Å; L305-R543 VanDerWaalsContact CD1-O 3.3Å; L305-R543 WeakPolarHBondContact CD1-O 3.25Å; L382-R543 CarbonylContact O-C 3.37Å; L382-R543 VanDerWaalsContact O-CA 3.29Å; L382-R543 WeakPolarHBondContact O-CA 3.49Å; R543-D545 IonicContact CZ-OD1 3.09Å; R543-D545 IonicContact NE-OD1 2.72Å; R543-D545 PolarHBondContact NE-OD1 3.03Å; R543-D545 IonicContact NH2-OD1 3.32Å |
| 544 | V | 85.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -112.6 | 98.6 | 173.6 | -175.7 | 0 | 0 | 0 | 0 | 107.6 | L381 L382 G383 C387 L392 | L381-V544 HydrophobicContact CD2-CG2 4.38Å; L382-V544 PolarHBondContact O-N 2.99Å; G383-V544 VanDerWaalsContact CA-O 3.28Å; G383-V544 WeakPolarHBondContact CA-O 3.49Å; C387-V544 HydrophobicContact CB-CG1 4.32Å; C387-V544 PolarHBondContact SG-O 3.17Å; C387-V544 VanDerWaalsContact SG-O 3.42Å; L392-V544 HydrophobicContact CD1-CB 4.45Å; L392-V544 HydrophobicContact CD1-CG1 3.71Å; L392-V544 HydrophobicContact CD1-CG2 3.82Å | ||
| 545 | D | 77.4 | Confident | 77.7 | Confident | 24 Ų | 24 | 32.8 Ų | 32.8 | 13% | 0.128 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 159.2 | 177.1 | -67.4 | -36.5 | 0 | 0 | 0 | 111.8 | Q303 H362 R543 | Q303-D545 PolarHBondContact NE2-OD2 3.03Å; H362-D545 PolarHBondContact NE2-N 2.94Å; H362-D545 PolarHBondContact NE2-O 3Å; R543-D545 IonicContact CZ-OD1 3.09Å; R543-D545 IonicContact NE-OD1 2.72Å; R543-D545 PolarHBondContact NE-OD1 3.03Å; R543-D545 IonicContact NH2-OD1 3.32Å |
| 546 | S | 72.3 | Confident | 76.4 | Confident | 54 Ų | 54 | 32.9 Ų | 32.9 | 38% | 0.378 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -62.2 | 143.5 | 173.4 | -52.7 | 0 | 0 | 0 | 0 | 110.8 | Q384 | Q384-S546 PolarHBondContact OE1-OG 3.27Š|
| 547 | L | 68.6 | Low | 75.1 | Confident | 20 Ų | 20 | 35.2 Ų | 35.2 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 138.5 | 179.3 | -69.2 | 165.4 | 0 | 0 | 0 | 111.2 | F363 E551 E552 | F363-L547 HydrophobicContact CD1-CD2 4.48Å; F363-L547 HydrophobicContact CE1-CD2 3.83Å; F363-L547 HydrophobicContact CE1-CG 4.45Å; F363-L547 HydrophobicContact CE2-CD2 4.45Å; F363-L547 HydrophobicContact CZ-CD1 4.19Å; F363-L547 HydrophobicContact CZ-CD2 3.81Å; F363-L547 HydrophobicContact CZ-CG 4.27Å; L547-E551 HydrophobicContact CB-CB 4.5Å; L547-E551 HydrophobicContact CD2-CB 4.09Å; L547-E552 HydrophobicContact CB-CG 3.6Å; L547-E552 HydrophobicContact CD1-CG 4.4Å |
| 548 | N | 66.7 | Low | 73.8 | Confident | 104 Ų | 104 | 40 Ų | 40 | 56% | 0.556 | 21% | 0.209 | S | C | * | . | P | Polyproline II helix | trans | -74.3 | 154.8 | 172.5 | -72.5 | -17.7 | 0 | 0 | 0 | 110.5 | E550 E551 E552 | N548-E550 PolarHBondContact O-N 2.72Å; N548-E551 HydrophobicContact CB-CG 4.43Å; N548-E551 PolarHBondContact N-OE2 3.13Å; N548-E551 WeakPolarHBondContact O-CA 3.34Å; N548-E551 WeakPolarHBondContact O-CB 3.37Å; N548-E551 PolarHBondContact O-N 2.97Å; N548-E552 PolarHBondContact O-N 2.75Å |
| 549 | A | 61.2 | Low | 72.4 | Confident | 80 Ų | 80 | 43.6 Ų | 43.6 | 66% | 0.661 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -54.4 | -33.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K553 | A549-K553 WeakPolarHBondContact O-CB 3.41Å; A549-K553 PolarHBondContact O-N 3.16Å; A549-K553 VanDerWaalsContact O-N 3.07Å |
| 550 | E | 63.4 | Low | 70.4 | Confident | 86 Ų | 86 | 44.2 Ų | 44.2 | 40% | 0.402 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.4 | -37 | 176 | -172.2 | 58 | -154.7 | 0 | 0 | 112.3 | N548 K553 Q554 | N548-E550 PolarHBondContact O-N 2.72Å; E550-K553 WeakPolarHBondContact O-CB 3.14Å; E550-K553 PolarHBondContact O-N 3.24Å; E550-K553 IonicContact OE1-NZ 3.18Å; E550-K553 PolarHBondContact OE1-NZ 3.31Å; E550-K553 VanDerWaalsContact OE1-NZ 3.17Å; E550-K553 IonicContact OE2-NZ 3.9Å; E550-K553 PolarHBondContact OE2-NZ 3.26Å; E550-Q554 WeakPolarHBondContact O-CG 3.36Å; E550-Q554 PolarHBondContact O-N 3.03Å |
| 551 | E | 66.1 | Low | 68.4 | Low | 32 Ų | 32 | 50.4 Ų | 50.4 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.1 | -42.1 | 176.3 | -61.5 | -175 | 139.8 | 0 | 0 | 111.1 | T360 H362 L547 N548 K553 Q554 L555 | T360-E551 HydrophobicContact CG2-CB 4.49Å; H362-E551 VanDerWaalsContact CB-OE1 3.26Å; H362-E551 WeakPolarHBondContact CB-OE1 3.36Å; L547-E551 HydrophobicContact CB-CB 4.5Å; L547-E551 HydrophobicContact CD2-CB 4.09Å; N548-E551 HydrophobicContact CB-CG 4.43Å; N548-E551 PolarHBondContact N-OE2 3.13Å; N548-E551 WeakPolarHBondContact O-CA 3.34Å; N548-E551 WeakPolarHBondContact O-CB 3.37Å; N548-E551 PolarHBondContact O-N 2.97Å; E551-K553 VanDerWaalsContact C-N 3.28Å; E551-K553 PolarHBondContact O-N 2.69Å; E551-Q554 PolarHBondContact O-N 2.75Å; E551-L555 WeakPolarHBondContact O-CB 3.44Å; E551-L555 PolarHBondContact O-N 2.75Å |
| 552 | E | 63.6 | Low | 66.5 | Low | 75 Ų | 75 | 54.4 Ų | 54.4 | 35% | 0.35 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.6 | -44.7 | 171.9 | -69.7 | -172.8 | 155.2 | 0 | 0 | 111 | L547 N548 L555 L556 | L547-E552 HydrophobicContact CB-CG 3.6Å; L547-E552 HydrophobicContact CD1-CG 4.4Å; N548-E552 PolarHBondContact O-N 2.75Å; E552-L555 PolarHBondContact O-N 2.91Å; E552-L556 WeakPolarHBondContact O-CB 3.48Å; E552-L556 WeakPolarHBondContact O-CG 3.44Å; E552-L556 PolarHBondContact O-N 2.85Å |
| 553 | K | 59.8 | Low | 64.4 | Low | 33 Ų | 33 | 58.7 Ų | 58.7 | 14% | 0.143 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 175.9 | 170.1 | 178.9 | 156.4 | -146.4 | 0 | 112.1 | A549 E550 E551 L555 L556 L557 L576 E580 | A549-K553 WeakPolarHBondContact O-CB 3.41Å; A549-K553 PolarHBondContact O-N 3.16Å; A549-K553 VanDerWaalsContact O-N 3.07Å; E550-K553 WeakPolarHBondContact O-CB 3.14Å; E550-K553 PolarHBondContact O-N 3.24Å; E550-K553 IonicContact OE1-NZ 3.18Å; E550-K553 PolarHBondContact OE1-NZ 3.31Å; E550-K553 VanDerWaalsContact OE1-NZ 3.17Å; E550-K553 IonicContact OE2-NZ 3.9Å; E550-K553 PolarHBondContact OE2-NZ 3.26Å; E551-K553 VanDerWaalsContact C-N 3.28Å; E551-K553 PolarHBondContact O-N 2.69Å; K553-L555 VanDerWaalsContact C-N 3.34Å; K553-L556 PolarHBondContact O-N 3.13Å; K553-L557 HydrophobicContact CG-CD1 3.91Å; K553-L557 HydrophobicContact CG-CG 4.5Å; K553-L557 WeakPolarHBondContact O-CB 3.45Å; K553-L557 VanDerWaalsContact O-CG 3.25Å; K553-L557 WeakPolarHBondContact O-CG 3.29Å; K553-L557 PolarHBondContact O-N 2.73Å; K553-L576 HydrophobicContact CB-CD2 4.41Å; K553-L576 HydrophobicContact CG-CD1 4.33Å; K553-E580 IonicContact NZ-OE1 3.02Å; K553-E580 PolarHBondContact NZ-OE1 2.75Å |
| 554 | Q | 64.4 | Low | 62.3 | Low | 84 Ų | 84 | 57.1 Ų | 57.1 | 39% | 0.393 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 176.3 | -74.7 | -177 | 7 | 0 | 0 | 112 | E550 E551 L557 K558 | E550-Q554 WeakPolarHBondContact O-CG 3.36Å; E550-Q554 PolarHBondContact O-N 3.03Å; E551-Q554 PolarHBondContact O-N 2.75Å; Q554-L557 PolarHBondContact O-N 3.42Å; Q554-K558 WeakPolarHBondContact O-CB 3.26Å; Q554-K558 PolarHBondContact O-N 2.96Å |
| 555 | L | 66.4 | Low | 60.6 | Low | 23 Ų | 23 | 63.2 Ų | 63.2 | 12% | 0.12 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 177.6 | -170.8 | 127.6 | 0 | 0 | 0 | 111.4 | V358 F363 E551 E552 K553 K559 A601 | V358-L555 HydrophobicContact CB-CD1 4.18Å; V358-L555 HydrophobicContact CB-CG 4.36Å; V358-L555 HydrophobicContact CG1-CB 4.47Å; V358-L555 HydrophobicContact CG1-CD1 4.34Å; V358-L555 HydrophobicContact CG1-CG 4.35Å; F363-L555 HydrophobicContact CE2-CD1 4.4Å; E551-L555 WeakPolarHBondContact O-CB 3.44Å; E551-L555 PolarHBondContact O-N 2.75Å; E552-L555 PolarHBondContact O-N 2.91Å; K553-L555 VanDerWaalsContact C-N 3.34Å; L555-K559 WeakPolarHBondContact O-CB 3.35Å; L555-K559 PolarHBondContact O-N 3.24Å; L555-K559 VanDerWaalsContact O-N 3.09Å; L555-A601 HydrophobicContact CD2-CB 4.43Å |
| 556 | L | 61.4 | Low | 58.9 | Low | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.6 | -50 | 173.6 | -71.9 | 171 | 0 | 0 | 0 | 111.1 | E552 K553 K558 M560 L576 M604 L605 | E552-L556 WeakPolarHBondContact O-CB 3.48Å; E552-L556 WeakPolarHBondContact O-CG 3.44Å; E552-L556 PolarHBondContact O-N 2.85Å; K553-L556 PolarHBondContact O-N 3.13Å; L556-K558 PolarHBondContact O-N 3.28Å; L556-M560 WeakPolarHBondContact O-CB 3.47Å; L556-M560 WeakPolarHBondContact O-CG 3.4Å; L556-M560 PolarHBondContact O-N 3.24Å; L556-L576 HydrophobicContact CD1-CD2 3.92Å; L556-M604 HydrophobicContact CD1-CB 4.16Å; L556-M604 HydrophobicContact CD1-CE 4.11Å; L556-M604 HydrophobicContact CD2-CB 3.77Å; L556-L605 HydrophobicContact CD2-CD2 3.72Å; L556-L605 HydrophobicContact CD2-CG 3.78Å |
| 557 | L | 62.8 | Low | 57.4 | Low | 53 Ų | 53 | 70 Ų | 70 | 28% | 0.277 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | -178.7 | -75 | 169.9 | 0 | 0 | 0 | 112.3 | K553 Q554 M560 I561 L573 | K553-L557 HydrophobicContact CG-CD1 3.91Å; K553-L557 HydrophobicContact CG-CG 4.5Å; K553-L557 WeakPolarHBondContact O-CB 3.45Å; K553-L557 VanDerWaalsContact O-CG 3.25Å; K553-L557 WeakPolarHBondContact O-CG 3.29Å; K553-L557 PolarHBondContact O-N 2.73Å; Q554-L557 PolarHBondContact O-N 3.42Å; L557-M560 PolarHBondContact O-N 2.94Å; L557-I561 WeakPolarHBondContact O-CD1 3.32Å; L557-I561 WeakPolarHBondContact O-CG1 3.44Å; L557-I561 PolarHBondContact O-N 2.7Å; L557-L573 HydrophobicContact CD2-CD2 4.05Å; L557-L573 HydrophobicContact CD2-CG 4.31Å |
| 558 | K | 63.7 | Low | 56.6 | Low | 104 Ų | 104 | 70.1 Ų | 70.1 | 45% | 0.452 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.2 | -50.6 | 179.9 | -78.2 | 177.2 | 174.6 | 180 | 0 | 111.8 | V358 S359 Q554 L556 M560 I561 S562 | V358-K558 HydrophobicContact CG1-CB 4.02Å; V358-K558 HydrophobicContact CG1-CD 3.43Å; V358-K558 VanDerWaalsContact CG1-CD 3.43Å; V358-K558 HydrophobicContact CG1-CG 4.35Å; V358-K558 HydrophobicContact CG2-CB 4.09Å; S359-K558 PolarHBondContact O-NZ 3.38Å; Q554-K558 WeakPolarHBondContact O-CB 3.26Å; Q554-K558 PolarHBondContact O-N 2.96Å; L556-K558 PolarHBondContact O-N 3.28Å; K558-M560 VanDerWaalsContact C-N 3.26Å; K558-M560 PolarHBondContact O-N 3.03Å; K558-I561 PolarHBondContact O-N 2.83Å; K558-S562 PolarHBondContact O-N 2.77Å |
| 559 | K | 60.4 | Low | 55.5 | Low | 76 Ų | 76 | 68.3 Ų | 68.3 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.7 | -30.4 | 179.5 | -161.5 | 162.7 | 179.6 | 177.4 | 0 | 111.9 | L555 S562 L605 | L555-K559 WeakPolarHBondContact O-CB 3.35Å; L555-K559 PolarHBondContact O-N 3.24Å; L555-K559 VanDerWaalsContact O-N 3.09Å; K559-S562 WeakPolarHBondContact O-CB 3.14Å; K559-L605 HydrophobicContact CB-CD2 3.94Å; K559-L605 HydrophobicContact CD-CD1 3.78Å; K559-L605 HydrophobicContact CD-CD2 3.89Å; K559-L605 HydrophobicContact CG-CD2 4.01Å |
| 560 | M | 52.8 | Low | 55 | Low | 14 Ų | 14 | 74.3 Ų | 74.3 | 7% | 0.069 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -74.3 | -36.1 | 173.6 | -76.2 | -156.5 | 82.7 | 0 | 0 | 113.9 | L556 L557 K558 S562 L563 A564 L572 A608 C612 | L556-M560 WeakPolarHBondContact O-CB 3.47Å; L556-M560 WeakPolarHBondContact O-CG 3.4Å; L556-M560 PolarHBondContact O-N 3.24Å; L557-M560 PolarHBondContact O-N 2.94Å; K558-M560 VanDerWaalsContact C-N 3.26Å; K558-M560 PolarHBondContact O-N 3.03Å; M560-S562 PolarHBondContact O-N 3.04Å; M560-L563 CarbonylContact O-C 3.43Å; M560-L563 WeakPolarHBondContact O-CA 3.45Å; M560-L563 WeakPolarHBondContact O-CB 3.19Å; M560-L563 PolarHBondContact O-N 3.24Å; M560-A564 WeakPolarHBondContact O-CA 3.27Å; M560-A564 WeakPolarHBondContact O-CB 3.28Å; M560-A564 PolarHBondContact O-N 2.97Å; M560-L572 HydrophobicContact CE-CD1 3.86Å; M560-L572 HydrophobicContact SD-CD1 3.77Å; M560-L572 HydrophobicContact SD-CD2 3.8Å; M560-L572 HydrophobicContact SD-CG 4.33Å; M560-A608 HydrophobicContact CE-CB 3.49Å; M560-A608 VanDerWaalsContact CE-CB 3.49Å; M560-A608 HydrophobicContact CG-CB 4.32Å; M560-A608 HydrophobicContact SD-CB 3.57Å; M560-A608 VanDerWaalsContact SD-CB 3.57Å; M560-C612 VanDerWaalsContact CE-SG 3.54Å |
| 561 | I | 50.6 | Low | 54.3 | Low | 130 Ų | 130 | 74.3 Ų | 74.3 | 67% | 0.667 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.6 | -35.7 | 177.3 | -73 | 160.4 | 0 | 0 | 0 | 110.5 | L557 K558 L563 A564 | L557-I561 WeakPolarHBondContact O-CD1 3.32Å; L557-I561 WeakPolarHBondContact O-CG1 3.44Å; L557-I561 PolarHBondContact O-N 2.7Å; K558-I561 PolarHBondContact O-N 2.83Å; I561-L563 VanDerWaalsContact C-N 3.29Å; I561-L563 PolarHBondContact O-N 3.29Å; I561-A564 PolarHBondContact O-N 2.97Å |
| 562 | S | 51.7 | Low | 53.5 | Low | 83 Ų | 83 | 73.8 Ų | 73.8 | 58% | 0.58 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57.1 | -38.2 | 169.1 | 147 | 0 | 0 | 0 | 0 | 112.8 | K558 K559 M560 | K558-S562 PolarHBondContact O-N 2.77Å; K559-S562 WeakPolarHBondContact O-CB 3.14Å; M560-S562 PolarHBondContact O-N 3.04Å |
| 563 | L | 48.4 | Very low | 52.8 | Low | 90 Ų | 90 | 72.9 Ų | 72.9 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -88.5 | -24.3 | -180 | -69.6 | 159.7 | 0 | 0 | 0 | 114.3 | M560 I561 | M560-L563 CarbonylContact O-C 3.43Å; M560-L563 WeakPolarHBondContact O-CA 3.45Å; M560-L563 WeakPolarHBondContact O-CB 3.19Å; M560-L563 PolarHBondContact O-N 3.24Å; I561-L563 VanDerWaalsContact C-N 3.29Å; I561-L563 PolarHBondContact O-N 3.29Å |
| 564 | A | 41.8 | Very low | 52.4 | Low | 26 Ų | 26 | 79.8 Ų | 79.8 | 22% | 0.215 | 41% | 0.411 | C | S | . | . | trans | -108.5 | 37 | -156.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | M560 I561 S566 | M560-A564 WeakPolarHBondContact O-CA 3.27Å; M560-A564 WeakPolarHBondContact O-CB 3.28Å; M560-A564 PolarHBondContact O-N 2.97Å; I561-A564 PolarHBondContact O-N 2.97Å; A564-S566 PolarHBondContact O-N 3.37Å | ||
| 565 | S | 48.2 | Very low | 51.6 | Low | 128 Ų | 128 | 78.6 Ų | 78.6 | 90% | 0.895 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -56.1 | -7.5 | 163.4 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 566 | S | 42.4 | Very low | 50.7 | Low | 47 Ų | 47 | 78 Ų | 78 | 33% | 0.329 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -111.7 | 101.6 | 171 | 66.4 | 0 | 0 | 0 | 0 | 115.4 | A564 S568 | A564-S566 PolarHBondContact O-N 3.37Å; S566-S568 PolarHBondContact O-N 3.19Å |
| 567 | L | 42 | Very low | 50.1 | Low | 174 Ų | 174 | 83.1 Ų | 83.1 | 91% | 0.911 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 43.6 | -12.4 | 144.8 | -81.9 | 152.7 | 0 | 0 | 0 | 124.3 | ||
| 568 | S | 50.4 | Low | 49.2 | Very low | 23 Ų | 23 | 86.5 Ų | 86.5 | 16% | 0.161 | 43% | 0.434 | C | S | . | . | trans | -93.1 | -2.3 | -171.6 | 74.1 | 0 | 0 | 0 | 0 | 116.3 | S566 R570 Q571 C612 | S566-S568 PolarHBondContact O-N 3.19Å; S568-R570 PolarHBondContact O-N 3.32Å; S568-Q571 PolarHBondContact O-N 3.27Å; S568-Q571 VanDerWaalsContact O-N 3.09Å; S568-C612 PolarHBondContact OG-SG 3.01Å; S568-C612 VanDerWaalsContact OG-SG 3.42Å | ||
| 569 | S | 44.3 | Very low | 48.2 | Very low | 66 Ų | 66 | 84.6 Ų | 84.6 | 46% | 0.462 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -53.6 | -32.8 | -174.4 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | L572 L573 | S569-L572 PolarHBondContact O-N 3.17Å; S569-L573 VanDerWaalsContact O-CB 3.27Å; S569-L573 WeakPolarHBondContact O-CB 3.43Å; S569-L573 WeakPolarHBondContact O-CG 3.33Å; S569-L573 PolarHBondContact O-N 3.28Å |
| 570 | R | 50.6 | Low | 47.1 | Very low | 206 Ų | 206 | 85.2 Ų | 85.2 | 78% | 0.777 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.8 | -37.2 | 179.1 | -75.8 | -177.2 | -177.9 | 166.3 | 1.3 | 114.1 | S568 R574 | S568-R570 PolarHBondContact O-N 3.32Å; R570-R574 WeakPolarHBondContact O-CG 3.4Å; R570-R574 PolarHBondContact O-N 3.31Å; R570-R574 VanDerWaalsContact O-N 3.14Å |
| 571 | Q | 49.6 | Very low | 46.7 | Very low | 85 Ų | 85 | 91.3 Ų | 91.3 | 40% | 0.397 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -71.7 | -38.8 | 179.9 | -73.9 | 179.7 | -19.8 | 0 | 0 | 110.6 | S568 R574 I575 | S568-Q571 PolarHBondContact O-N 3.27Å; S568-Q571 VanDerWaalsContact O-N 3.09Å; Q571-R574 WeakPolarHBondContact O-CB 3.12Å; Q571-R574 PolarHBondContact O-N 2.74Å; Q571-I575 PolarHBondContact O-N 3.29Å |
| 572 | L | 48.4 | Very low | 46.3 | Very low | 21 Ų | 21 | 87.4 Ų | 87.4 | 11% | 0.11 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -75.8 | -38.6 | -179.9 | -144.8 | 140.8 | 0 | 0 | 0 | 112 | M560 S569 R574 I575 L576 A608 | M560-L572 HydrophobicContact CE-CD1 3.86Å; M560-L572 HydrophobicContact SD-CD1 3.77Å; M560-L572 HydrophobicContact SD-CD2 3.8Å; M560-L572 HydrophobicContact SD-CG 4.33Å; S569-L572 PolarHBondContact O-N 3.17Å; L572-R574 PolarHBondContact O-N 3.35Å; L572-I575 WeakPolarHBondContact O-CA 3.46Å; L572-I575 WeakPolarHBondContact O-CB 3.41Å; L572-I575 PolarHBondContact O-N 3.18Å; L572-L576 HydrophobicContact CD2-CD1 3.84Å; L572-L576 HydrophobicContact CD2-CG 4.21Å; L572-L576 PolarHBondContact O-N 3.41Å; L572-A608 HydrophobicContact CD1-CB 3.62Å |
| 573 | L | 49.2 | Very low | 45.6 | Very low | 56 Ų | 56 | 88.8 Ų | 88.8 | 29% | 0.293 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.3 | -32.1 | 167.3 | -85.7 | 162 | 0 | 0 | 0 | 112.3 | L557 S569 K577 | L557-L573 HydrophobicContact CD2-CD2 4.05Å; L557-L573 HydrophobicContact CD2-CG 4.31Å; S569-L573 VanDerWaalsContact O-CB 3.27Å; S569-L573 WeakPolarHBondContact O-CB 3.43Å; S569-L573 WeakPolarHBondContact O-CG 3.33Å; S569-L573 PolarHBondContact O-N 3.28Å; L573-K577 WeakPolarHBondContact O-CB 3.4Å; L573-K577 VanDerWaalsContact O-CG 3.25Å; L573-K577 WeakPolarHBondContact O-CG 3.49Å; L573-K577 PolarHBondContact O-N 3.34Å |
| 574 | R | 52.1 | Low | 44.9 | Very low | 178 Ų | 178 | 87.8 Ų | 87.8 | 67% | 0.672 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.2 | -35.5 | 171.8 | -84.1 | 178.1 | 174.8 | 163.2 | -0.9 | 112.4 | R570 Q571 L572 R578 | R570-R574 WeakPolarHBondContact O-CG 3.4Å; R570-R574 PolarHBondContact O-N 3.31Å; R570-R574 VanDerWaalsContact O-N 3.14Å; Q571-R574 WeakPolarHBondContact O-CB 3.12Å; Q571-R574 PolarHBondContact O-N 2.74Å; L572-R574 PolarHBondContact O-N 3.35Å; R574-R578 VanDerWaalsContact O-CB 3.32Å; R574-R578 WeakPolarHBondContact O-CB 2.97Å; R574-R578 VanDerWaalsContact O-CG 3.26Å; R574-R578 WeakPolarHBondContact O-CG 3.35Å; R574-R578 PolarHBondContact O-N 2.94Å |
| 575 | I | 46.3 | Very low | 44.8 | Very low | 60 Ų | 60 | 93.3 Ų | 93.3 | 31% | 0.308 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69 | -46 | 174.9 | -63.6 | 169.4 | 0 | 0 | 0 | 109.8 | Q571 L572 R578 L579 C619 | Q571-I575 PolarHBondContact O-N 3.29Å; L572-I575 WeakPolarHBondContact O-CA 3.46Å; L572-I575 WeakPolarHBondContact O-CB 3.41Å; L572-I575 PolarHBondContact O-N 3.18Å; I575-R578 WeakPolarHBondContact O-CB 3.44Å; I575-R578 PolarHBondContact O-N 3.5Å; I575-L579 PolarHBondContact O-N 3.11Å; I575-C619 HydrophobicContact CD1-CB 3.68Å |
| 576 | L | 48.2 | Very low | 44.1 | Very low | 10 Ų | 10 | 89.8 Ų | 89.8 | 5% | 0.052 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 175.7 | -69.3 | 167 | 0 | 0 | 0 | 112.3 | K553 L556 L572 R578 L579 E580 | K553-L576 HydrophobicContact CB-CD2 4.41Å; K553-L576 HydrophobicContact CG-CD1 4.33Å; L556-L576 HydrophobicContact CD1-CD2 3.92Å; L572-L576 HydrophobicContact CD2-CD1 3.84Å; L572-L576 HydrophobicContact CD2-CG 4.21Å; L572-L576 PolarHBondContact O-N 3.41Å; L576-R578 VanDerWaalsContact C-N 3.32Å; L576-R578 PolarHBondContact O-N 2.97Å; L576-L579 HydrophobicContact CD2-CD1 4.16Å; L576-L579 VanDerWaalsContact O-CB 3.26Å; L576-L579 WeakPolarHBondContact O-CB 3.17Å; L576-L579 PolarHBondContact O-N 3.3Å; L576-E580 PolarHBondContact O-N 2.84Å |
| 577 | K | 49 | Very low | 43.8 | Very low | 116 Ų | 116 | 90.8 Ų | 90.8 | 50% | 0.504 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.2 | -32.1 | 172.9 | -78.6 | -175.4 | 174.9 | -168.9 | 0 | 112.7 | L573 E580 H581 | L573-K577 WeakPolarHBondContact O-CB 3.4Å; L573-K577 VanDerWaalsContact O-CG 3.25Å; L573-K577 WeakPolarHBondContact O-CG 3.49Å; L573-K577 PolarHBondContact O-N 3.34Å; K577-E580 WeakPolarHBondContact O-CB 3.39Å; K577-E580 PolarHBondContact O-N 3.44Å; K577-H581 PolarHBondContact O-N 2.99Å; K577-H581 PolarHBondContact O-ND1 3.17Å |
| 578 | R | 43.4 | Very low | 43.5 | Very low | 123 Ų | 123 | 84.8 Ų | 84.8 | 46% | 0.464 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 172.1 | -83.7 | 177.8 | 176.7 | -179.5 | -1.5 | 110.3 | R574 I575 L576 E580 H581 F582 | R574-R578 VanDerWaalsContact O-CB 3.32Å; R574-R578 WeakPolarHBondContact O-CB 2.97Å; R574-R578 VanDerWaalsContact O-CG 3.26Å; R574-R578 WeakPolarHBondContact O-CG 3.35Å; R574-R578 PolarHBondContact O-N 2.94Å; I575-R578 WeakPolarHBondContact O-CB 3.44Å; I575-R578 PolarHBondContact O-N 3.5Å; L576-R578 VanDerWaalsContact C-N 3.32Å; L576-R578 PolarHBondContact O-N 2.97Å; R578-E580 PolarHBondContact O-N 3.45Å; R578-H581 PolarHBondContact O-N 3.39Å; R578-F582 HydrophobicContact CB-CE2 4.27Å; R578-F582 WeakPolarHBondContact O-CD2 3.19Å; R578-F582 WeakPolarHBondContact O-CE2 3.36Å |
| 579 | L | 41.8 | Very low | 42.8 | Very low | 64 Ų | 64 | 85 Ų | 85 | 34% | 0.335 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -52.6 | -42.2 | 170.2 | -83.6 | 161.8 | 0 | 0 | 0 | 111.7 | I575 L576 L596 M604 | I575-L579 PolarHBondContact O-N 3.11Å; L576-L579 HydrophobicContact CD2-CD1 4.16Å; L576-L579 VanDerWaalsContact O-CB 3.26Å; L576-L579 WeakPolarHBondContact O-CB 3.17Å; L576-L579 PolarHBondContact O-N 3.3Å; L579-L596 HydrophobicContact CD2-CB 3.8Å; L579-L596 HydrophobicContact CD2-CD1 3.31Å; L579-L596 HydrophobicContact CD2-CD2 4.37Å; L579-L596 HydrophobicContact CD2-CG 3.97Å; L579-L596 HydrophobicContact CG-CD1 4.03Å; L579-M604 HydrophobicContact CD1-CE 4.3Å |
| 580 | E | 37.4 | Very low | 42.5 | Very low | 90 Ų | 90 | 84.6 Ų | 84.6 | 42% | 0.421 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 178.4 | -146 | 172 | -145.6 | 0 | 0 | 113.7 | K553 L576 K577 R578 F582 | K553-E580 IonicContact NZ-OE1 3.02Å; K553-E580 PolarHBondContact NZ-OE1 2.75Å; L576-E580 PolarHBondContact O-N 2.84Å; K577-E580 WeakPolarHBondContact O-CB 3.39Å; K577-E580 PolarHBondContact O-N 3.44Å; R578-E580 PolarHBondContact O-N 3.45Å; E580-F582 PolarHBondContact O-N 2.78Å |
| 581 | H | 44.9 | Very low | 41.8 | Very low | 141 Ų | 141 | 76.2 Ų | 76.2 | 65% | 0.653 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 8.4 | -179 | -79.8 | 68.2 | 0 | 0 | 0 | 114.4 | K577 R578 P583 | K577-H581 PolarHBondContact O-N 2.99Å; K577-H581 PolarHBondContact O-ND1 3.17Å; R578-H581 PolarHBondContact O-N 3.39Å; H581-P583 WeakPolarHBondContact O-CD 3.45Å |
| 582 | F | 41.8 | Very low | 41.3 | Very low | 49 Ų | 49 | 74.6 Ų | 74.6 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | trans | -105.4 | 48.2 | 176.4 | -62 | -55.7 | 0 | 0 | 0 | 114.7 | R578 E580 S584 N589 | R578-F582 HydrophobicContact CB-CE2 4.27Å; R578-F582 WeakPolarHBondContact O-CD2 3.19Å; R578-F582 WeakPolarHBondContact O-CE2 3.36Å; E580-F582 PolarHBondContact O-N 2.78Å; F582-S584 VanDerWaalsContact C-N 3.26Å; F582-S584 PolarHBondContact O-N 3.31Å; F582-N589 HydrophobicContact CB-CB 4.3Å; F582-N589 HydrophobicContact CD1-CB 3.71Å; F582-N589 WeakPolarHBondContact CD1-OD1 3.5Å; F582-N589 HydrophobicContact CE1-CB 4.35Å; F582-N589 WeakPolarHBondContact CE1-OD1 3.35Å; F582-N589 HydrophobicContact CG-CB 4.25Å | ||
| 583 | P | 38.1 | Very low | 40.7 | Very low | 111 Ų | 111 | 79.4 Ų | 79.4 | 72% | 0.721 | 40% | 0.396 | S | S | * | . | trans | -75.9 | -10.6 | 172 | 31.6 | -31.7 | 0 | 0 | 0 | 113.3 | H581 | H581-P583 WeakPolarHBondContact O-CD 3.45Š| ||
| 584 | S | 33.6 | Very low | 40.1 | Very low | 69 Ų | 69 | 79.9 Ų | 79.9 | 48% | 0.483 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -102.8 | 134.2 | -173.3 | 59 | 0 | 0 | 0 | 0 | 114.6 | F582 S586 N589 | F582-S584 VanDerWaalsContact C-N 3.26Å; F582-S584 PolarHBondContact O-N 3.31Å; S584-S586 PolarHBondContact O-N 3.28Å; S584-N589 PolarHBondContact O-ND2 3.45Å |
| 585 | D | 38.8 | Very low | 39.4 | Very low | 143 Ų | 143 | 73 Ų | 73 | 77% | 0.765 | 38% | 0.38 | S | S | * | . | trans | -65.7 | 26.4 | -173.9 | -64.8 | -42.1 | 0 | 0 | 0 | 116.4 | ||||
| 586 | S | 34.5 | Very low | 39.1 | Very low | 54 Ų | 54 | 72.2 Ų | 72.2 | 38% | 0.378 | 38% | 0.376 | S | S | . | . | trans | -76.2 | 139.6 | 174.4 | 78.2 | 0 | 0 | 0 | 0 | 111.6 | S584 P588 N589 L590 | S584-S586 PolarHBondContact O-N 3.28Å; S586-P588 VanDerWaalsContact C-CD 3.41Å; S586-N589 WeakPolarHBondContact O-CA 3.48Å; S586-N589 VanDerWaalsContact O-CB 3.28Å; S586-N589 WeakPolarHBondContact O-CB 2.93Å; S586-N589 PolarHBondContact O-N 3.44Å; S586-N589 PolarHBondContact OG-ND2 3.2Å; S586-L590 PolarHBondContact O-N 3.28Å | ||
| 587 | I | 35.4 | Very low | 38.6 | Very low | 67 Ų | 67 | 75.9 Ų | 75.9 | 34% | 0.344 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -49.7 | -42.1 | -171.8 | -57.2 | 105.7 | 0 | 0 | 0 | 115.5 | N589 L590 V591 K1386 | I587-N589 PolarHBondContact O-N 3.42Å; I587-L590 PolarHBondContact O-N 2.81Å; I587-V591 HydrophobicContact CG2-CG2 4.49Å; I587-V591 VanDerWaalsContact O-CG2 3.31Å; I587-V591 WeakPolarHBondContact O-CG2 3.38Å; I587-V591 PolarHBondContact O-N 3.47Å; I587-K1386 HydrophobicContact CD1-CB 3.57Å; I587-K1386 HydrophobicContact CD1-CD 3.67Å; I587-K1386 HydrophobicContact CD1-CG 3.54Å; I587-K1386 HydrophobicContact CG1-CB 4.03Å; I587-K1386 HydrophobicContact CG1-CD 4.49Å; I587-K1386 HydrophobicContact CG1-CG 3.9Å |
| 588 | P | 35.4 | Very low | 38.4 | Very low | 48 Ų | 48 | 79 Ų | 79 | 31% | 0.312 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.6 | -35.1 | 175.9 | -20.5 | 33.2 | 0 | 0 | 0 | 112.3 | S586 H592 T644 | S586-P588 VanDerWaalsContact C-CD 3.41Å; P588-H592 WeakPolarHBondContact O-CB 3.32Å; P588-H592 PolarHBondContact O-N 3.21Å; P588-T644 HydrophobicContact CB-CG2 4.11Å; P588-T644 HydrophobicContact CG-CG2 4.01Å |
| 589 | N | 37 | Very low | 38.8 | Very low | 27 Ų | 27 | 74.2 Ų | 74.2 | 14% | 0.144 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -77.9 | -36.9 | -178.6 | -58 | -9.8 | 0 | 0 | 0 | 111 | F582 S584 S586 I587 H592 K593 | F582-N589 HydrophobicContact CB-CB 4.3Å; F582-N589 HydrophobicContact CD1-CB 3.71Å; F582-N589 WeakPolarHBondContact CD1-OD1 3.5Å; F582-N589 HydrophobicContact CE1-CB 4.35Å; F582-N589 WeakPolarHBondContact CE1-OD1 3.35Å; F582-N589 HydrophobicContact CG-CB 4.25Å; S584-N589 PolarHBondContact O-ND2 3.45Å; S586-N589 WeakPolarHBondContact O-CA 3.48Å; S586-N589 VanDerWaalsContact O-CB 3.28Å; S586-N589 WeakPolarHBondContact O-CB 2.93Å; S586-N589 PolarHBondContact O-N 3.44Å; S586-N589 PolarHBondContact OG-ND2 3.2Å; I587-N589 PolarHBondContact O-N 3.42Å; N589-H592 CarbonylContact O-C 3.54Å; N589-H592 PolarHBondContact O-N 3.12Å; N589-K593 VanDerWaalsContact O-CB 3.25Å; N589-K593 WeakPolarHBondContact O-CB 3.4Å; N589-K593 PolarHBondContact O-N 3Å |
| 590 | L | 36.2 | Very low | 39.4 | Very low | 58 Ų | 58 | 72.5 Ų | 72.5 | 30% | 0.304 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 175.6 | -166.1 | 65.4 | 0 | 0 | 0 | 111.5 | S586 I587 K593 T594 I1390 | S586-L590 PolarHBondContact O-N 3.28Å; I587-L590 PolarHBondContact O-N 2.81Å; L590-K593 PolarHBondContact O-N 3.28Å; L590-T594 PolarHBondContact O-N 3.4Å; L590-T594 PolarHBondContact O-OG1 3.2Å; L590-I1390 HydrophobicContact CD2-CD1 3.31Å; L590-I1390 HydrophobicContact CD2-CG1 4.27Å; L590-I1390 HydrophobicContact CG-CD1 4.01Å |
| 591 | V | 37.8 | Very low | 40.4 | Very low | 30 Ų | 30 | 69.1 Ų | 69.1 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 170.2 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | I587 K593 T594 C595 W631 L641 | I587-V591 HydrophobicContact CG2-CG2 4.49Å; I587-V591 VanDerWaalsContact O-CG2 3.31Å; I587-V591 WeakPolarHBondContact O-CG2 3.38Å; I587-V591 PolarHBondContact O-N 3.47Å; V591-K593 VanDerWaalsContact C-N 3.34Å; V591-K593 PolarHBondContact O-N 2.85Å; V591-T594 WeakPolarHBondContact CA-OG1 3.39Å; V591-T594 PolarHBondContact O-N 2.67Å; V591-T594 PolarHBondContact O-OG1 3.42Å; V591-C595 WeakPolarHBondContact O-CB 3.26Å; V591-C595 PolarHBondContact O-N 3.06Å; V591-C595 PolarHBondContact O-SG 2.98Å; V591-W631 HydrophobicContact CG1-CH2 4.05Å; V591-L641 HydrophobicContact CB-CD2 4.47Å; V591-L641 HydrophobicContact CG1-CD1 3.79Å; V591-L641 HydrophobicContact CG1-CD2 3.45Å; V591-L641 VanDerWaalsContact CG1-CD2 3.45Å; V591-L641 HydrophobicContact CG1-CG 3.9Å |
| 592 | H | 37.9 | Very low | 41.1 | Very low | 51 Ų | 51 | 68.7 Ų | 68.7 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62 | -39.5 | 174.1 | -102.3 | -69.8 | 0 | 0 | 0 | 112.9 | P588 N589 C595 L596 | P588-H592 WeakPolarHBondContact O-CB 3.32Å; P588-H592 PolarHBondContact O-N 3.21Å; N589-H592 CarbonylContact O-C 3.54Å; N589-H592 PolarHBondContact O-N 3.12Å; H592-C595 WeakPolarHBondContact O-CB 3.25Å; H592-C595 PolarHBondContact O-N 3.5Å; H592-L596 HydrophobicContact CB-CD1 4.46Å; H592-L596 WeakPolarHBondContact O-CB 3.46Å; H592-L596 WeakPolarHBondContact O-CD1 3.31Å; H592-L596 WeakPolarHBondContact O-CG 3.34Å; H592-L596 PolarHBondContact O-N 3.35Å |
| 593 | K | 36.7 | Very low | 42.1 | Very low | 123 Ų | 123 | 66.9 Ų | 66.9 | 54% | 0.535 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.6 | -42.8 | 178.7 | -165.6 | 176.9 | -177.4 | 179.9 | 0 | 110.9 | N589 L590 V591 L596 S597 | N589-K593 VanDerWaalsContact O-CB 3.25Å; N589-K593 WeakPolarHBondContact O-CB 3.4Å; N589-K593 PolarHBondContact O-N 3Å; L590-K593 PolarHBondContact O-N 3.28Å; V591-K593 VanDerWaalsContact C-N 3.34Å; V591-K593 PolarHBondContact O-N 2.85Å; K593-L596 PolarHBondContact O-N 3.3Å; K593-S597 WeakPolarHBondContact O-CA 3.18Å; K593-S597 WeakPolarHBondContact O-CB 3.28Å; K593-S597 PolarHBondContact O-N 3.19Å; K593-S597 PolarHBondContact O-OG 2.96Å; K593-S597 VanDerWaalsContact O-OG 3.08Å |
| 594 | T | 35.9 | Very low | 43.1 | Very low | 66 Ų | 66 | 63.2 Ų | 63.2 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.8 | -33.5 | 173.2 | 35.9 | 0 | 0 | 0 | 0 | 112.9 | L590 V591 | L590-T594 PolarHBondContact O-N 3.4Å; L590-T594 PolarHBondContact O-OG1 3.2Å; V591-T594 WeakPolarHBondContact CA-OG1 3.39Å; V591-T594 PolarHBondContact O-N 2.67Å; V591-T594 PolarHBondContact O-OG1 3.42Å |
| 595 | C | 37.3 | Very low | 44.5 | Very low | 32 Ų | 32 | 61 Ų | 61 | 22% | 0.216 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 169.6 | -74.3 | 0 | 0 | 0 | 0 | 110.2 | V591 H592 Y599 | V591-C595 WeakPolarHBondContact O-CB 3.26Å; V591-C595 PolarHBondContact O-N 3.06Å; V591-C595 PolarHBondContact O-SG 2.98Å; H592-C595 WeakPolarHBondContact O-CB 3.25Å; H592-C595 PolarHBondContact O-N 3.5Å; C595-Y599 WeakPolarHBondContact O-CD2 3.42Å; C595-Y599 WeakPolarHBondContact O-CE2 3.48Å |
| 596 | L | 39.2 | Very low | 45.7 | Very low | 45 Ų | 45 | 55.4 Ų | 55.4 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -81.5 | -32.5 | -172.6 | -69.2 | 161.2 | 0 | 0 | 0 | 113.6 | L579 H592 K593 R598 Y599 | L579-L596 HydrophobicContact CD2-CB 3.8Å; L579-L596 HydrophobicContact CD2-CD1 3.31Å; L579-L596 HydrophobicContact CD2-CD2 4.37Å; L579-L596 HydrophobicContact CD2-CG 3.97Å; L579-L596 HydrophobicContact CG-CD1 4.03Å; H592-L596 HydrophobicContact CB-CD1 4.46Å; H592-L596 WeakPolarHBondContact O-CB 3.46Å; H592-L596 WeakPolarHBondContact O-CD1 3.31Å; H592-L596 WeakPolarHBondContact O-CG 3.34Å; H592-L596 PolarHBondContact O-N 3.35Å; K593-L596 PolarHBondContact O-N 3.3Å; L596-R598 PolarHBondContact O-N 3.46Å; L596-R598 VanDerWaalsContact O-N 3.14Å; L596-Y599 HydrophobicContact CD2-CD2 4.28Å; L596-Y599 HydrophobicContact CD2-CE2 4.23Å; L596-Y599 WeakPolarHBondContact O-CB 3.36Å; L596-Y599 WeakPolarHBondContact O-CD2 3.25Å; L596-Y599 PolarHBondContact O-N 3.22Å |
| 597 | S | 39.3 | Very low | 47 | Very low | 87 Ų | 87 | 54.2 Ų | 54.2 | 61% | 0.608 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -10 | -178 | 71.4 | 0 | 0 | 0 | 0 | 114 | K593 | K593-S597 WeakPolarHBondContact O-CA 3.18Å; K593-S597 WeakPolarHBondContact O-CB 3.28Å; K593-S597 PolarHBondContact O-N 3.19Å; K593-S597 PolarHBondContact O-OG 2.96Å; K593-S597 VanDerWaalsContact O-OG 3.08Å |
| 598 | R | 43.9 | Very low | 48.2 | Very low | 180 Ų | 180 | 51.1 Ų | 51.1 | 68% | 0.679 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 1.4 | 173.4 | -67.8 | -168.1 | 177.8 | -164.4 | -1.5 | 113.3 | L596 T600 R603 | L596-R598 PolarHBondContact O-N 3.46Å; L596-R598 VanDerWaalsContact O-N 3.14Å; R598-T600 PolarHBondContact O-N 3.26Å; R598-R603 PolarHBondContact O-NH1 3.45Å |
| 599 | Y | 51.8 | Low | 49.5 | Very low | 24 Ų | 24 | 49.7 Ų | 49.7 | 9% | 0.094 | 25% | 0.252 | C | S | . | . | trans | -82.7 | 101.8 | 169.7 | -70.3 | -99 | 0 | 0 | 0 | 107.9 | C595 L596 R603 M604 I607 P623 L626 | C595-Y599 WeakPolarHBondContact O-CD2 3.42Å; C595-Y599 WeakPolarHBondContact O-CE2 3.48Å; L596-Y599 HydrophobicContact CD2-CD2 4.28Å; L596-Y599 HydrophobicContact CD2-CE2 4.23Å; L596-Y599 WeakPolarHBondContact O-CB 3.36Å; L596-Y599 WeakPolarHBondContact O-CD2 3.25Å; L596-Y599 PolarHBondContact O-N 3.22Å; Y599-R603 HydrophobicContact CD1-CB 4.18Å; Y599-M604 HydrophobicContact CG-SD 4.44Å; Y599-I607 HydrophobicContact CD1-CD1 4.08Å; Y599-I607 HydrophobicContact CE1-CD1 3.86Å; Y599-P623 WeakPolarHBondContact OH-CA 3.02Å; Y599-P623 WeakPolarHBondContact OH-CB 3.42Å; Y599-L626 HydrophobicContact CD1-CD2 4Å; Y599-L626 HydrophobicContact CE1-CB 4.48Å; Y599-L626 HydrophobicContact CE1-CD2 3.51Å; Y599-L626 HydrophobicContact CE1-CG 4.5Å | ||
| 600 | T | 55.5 | Low | 50.8 | Low | 27 Ų | 27 | 48.7 Ų | 48.7 | 17% | 0.166 | 25% | 0.246 | C | C | . | . | trans | -55.6 | 148.9 | 165.6 | 44.5 | 0 | 0 | 0 | 0 | 110.1 | R598 F602 R603 M604 D885 | R598-T600 PolarHBondContact O-N 3.26Å; T600-F602 PolarHBondContact O-N 3.15Å; T600-R603 PolarHBondContact O-N 3.49Å; T600-M604 PolarHBondContact O-N 3.48Å; T600-D885 VanDerWaalsContact CG2-OD2 3.24Å; T600-D885 WeakPolarHBondContact CG2-OD2 3.28Å | ||
| 601 | A | 57.5 | Low | 52.1 | Low | 20 Ų | 20 | 46.3 Ų | 46.3 | 17% | 0.165 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -51.7 | -33.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L555 R603 M604 L605 | L555-A601 HydrophobicContact CD2-CB 4.43Å; A601-R603 PolarHBondContact O-N 3.35Å; A601-M604 PolarHBondContact O-N 2.76Å; A601-L605 WeakPolarHBondContact O-CG 3Å; A601-L605 PolarHBondContact O-N 3.48Å |
| 602 | F | 60 | Low | 53.2 | Low | 131 Ų | 131 | 45.6 Ų | 45.6 | 58% | 0.575 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -55.5 | -47.1 | 173.4 | -104.3 | -86.5 | 0 | 0 | 0 | 113.2 | T600 L605 R606 | T600-F602 PolarHBondContact O-N 3.15Å; F602-L605 PolarHBondContact O-N 3.31Å; F602-R606 PolarHBondContact O-N 2.89Å; F602-R606 VanDerWaalsContact O-N 3.1Å |
| 603 | R | 61.8 | Low | 54.5 | Low | 11 Ų | 11 | 48.2 Ų | 48.2 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 179.2 | -73.1 | -175.7 | 172.2 | 147.5 | 3.6 | 112.1 | R598 Y599 T600 A601 L605 R606 I607 F880 G884 D885 | R598-R603 PolarHBondContact O-NH1 3.45Å; Y599-R603 HydrophobicContact CD1-CB 4.18Å; T600-R603 PolarHBondContact O-N 3.49Å; A601-R603 PolarHBondContact O-N 3.35Å; R603-L605 VanDerWaalsContact C-N 3.32Å; R603-L605 PolarHBondContact O-N 3.31Å; R603-R606 PolarHBondContact O-N 2.91Å; R603-I607 WeakPolarHBondContact O-CG1 3.37Å; R603-I607 PolarHBondContact O-N 2.95Å; R603-F880 VanDerWaalsContact NH2-CZ 3.35Å; R603-G884 PolarHBondContact NH2-O 2.84Å; R603-D885 IonicContact CZ-OD1 3.27Å; R603-D885 IonicContact NE-OD1 2.89Å; R603-D885 IonicContact NH1-OD1 3.71Å; R603-D885 PolarHBondContact NH1-OD1 3.1Å; R603-D885 VanDerWaalsContact NH1-OD1 3.14Å; R603-D885 IonicContact NH2-OD1 2.84Å; R603-D885 PolarHBondContact NH2-OD1 3.09Å |
| 604 | M | 59.4 | Low | 55.8 | Low | 35 Ų | 35 | 44.6 Ų | 44.6 | 17% | 0.172 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.7 | -73 | -68 | -76.8 | 0 | 0 | 111.1 | L556 L579 Y599 T600 A601 R606 A608 | L556-M604 HydrophobicContact CD1-CB 4.16Å; L556-M604 HydrophobicContact CD1-CE 4.11Å; L556-M604 HydrophobicContact CD2-CB 3.77Å; L579-M604 HydrophobicContact CD1-CE 4.3Å; Y599-M604 HydrophobicContact CG-SD 4.44Å; T600-M604 PolarHBondContact O-N 3.48Å; A601-M604 PolarHBondContact O-N 2.76Å; M604-R606 PolarHBondContact O-N 3.4Å; M604-A608 WeakPolarHBondContact O-CB 3.27Å; M604-A608 PolarHBondContact O-N 3.43Å |
| 605 | L | 62.3 | Low | 56.9 | Low | 22 Ų | 22 | 49.7 Ų | 49.7 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | 175.3 | -74.1 | 166.3 | 0 | 0 | 0 | 112.2 | L556 K559 A601 F602 R603 A608 A609 | L556-L605 HydrophobicContact CD2-CD2 3.72Å; L556-L605 HydrophobicContact CD2-CG 3.78Å; K559-L605 HydrophobicContact CB-CD2 3.94Å; K559-L605 HydrophobicContact CD-CD1 3.78Å; K559-L605 HydrophobicContact CD-CD2 3.89Å; K559-L605 HydrophobicContact CG-CD2 4.01Å; A601-L605 WeakPolarHBondContact O-CG 3Å; A601-L605 PolarHBondContact O-N 3.48Å; F602-L605 PolarHBondContact O-N 3.31Å; R603-L605 VanDerWaalsContact C-N 3.32Å; R603-L605 PolarHBondContact O-N 3.31Å; L605-A608 WeakPolarHBondContact O-CB 3.32Å; L605-A608 PolarHBondContact O-N 3.26Å; L605-A609 PolarHBondContact O-N 2.95Å |
| 606 | R | 65.9 | Low | 57.5 | Low | 25 Ų | 25 | 49.7 Ų | 49.7 | 9% | 0.094 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.4 | -49 | 178.1 | 178 | 174.8 | 151.1 | -125.3 | -8.4 | 113.1 | F602 R603 M604 A608 A609 Q610 D716 L719 E721 A888 | F602-R606 PolarHBondContact O-N 2.89Å; F602-R606 VanDerWaalsContact O-N 3.1Å; R603-R606 PolarHBondContact O-N 2.91Å; M604-R606 PolarHBondContact O-N 3.4Å; R606-A608 PolarHBondContact O-N 2.7Å; R606-A609 PolarHBondContact O-N 3.12Å; R606-A609 VanDerWaalsContact O-N 3.09Å; R606-Q610 PolarHBondContact O-N 2.94Å; R606-D716 IonicContact CZ-OD1 3.62Å; R606-D716 VanDerWaalsContact CZ-OD1 3.27Å; R606-D716 IonicContact CZ-OD2 3.2Å; R606-D716 IonicContact NE-OD1 2.82Å; R606-D716 PolarHBondContact NE-OD1 2.95Å; R606-D716 IonicContact NH2-OD1 3.64Å; R606-D716 PolarHBondContact NH2-OD1 3.38Å; R606-D716 IonicContact NH2-OD2 3.73Å; R606-D716 PolarHBondContact NH2-OD2 3.38Å; R606-L719 HydrophobicContact CG-CD1 4.44Å; R606-E721 HydrophobicContact CG-CG 4.37Å; R606-A888 VanDerWaalsContact CZ-CA 3.42Å; R606-A888 VanDerWaalsContact NH2-CA 3.34Å |
| 607 | I | 61.7 | Low | 57.8 | Low | 30 Ų | 30 | 54.7 Ų | 54.7 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.3 | -41.9 | 175.9 | -69.1 | 168.9 | 0 | 0 | 0 | 109.2 | Y599 R603 Q610 C611 L622 | Y599-I607 HydrophobicContact CD1-CD1 4.08Å; Y599-I607 HydrophobicContact CE1-CD1 3.86Å; R603-I607 WeakPolarHBondContact O-CG1 3.37Å; R603-I607 PolarHBondContact O-N 2.95Å; I607-Q610 PolarHBondContact O-N 3.48Å; I607-C611 WeakPolarHBondContact O-CB 3.27Å; I607-C611 PolarHBondContact O-N 3.24Å; I607-C611 PolarHBondContact O-SG 2.75Å; I607-L622 HydrophobicContact CG1-CB 4.39Å; I607-L622 HydrophobicContact CG1-CD2 4.42Å; I607-L622 HydrophobicContact CG2-CB 4.42Å; I607-L622 HydrophobicContact CG2-CD1 4.25Å |
| 608 | A | 60 | Low | 58.1 | Low | 2 Ų | 2 | 53.2 Ų | 53.2 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | M560 L572 M604 L605 R606 Q610 C611 C612 | M560-A608 HydrophobicContact CE-CB 3.49Å; M560-A608 VanDerWaalsContact CE-CB 3.49Å; M560-A608 HydrophobicContact CG-CB 4.32Å; M560-A608 HydrophobicContact SD-CB 3.57Å; M560-A608 VanDerWaalsContact SD-CB 3.57Å; L572-A608 HydrophobicContact CD1-CB 3.62Å; M604-A608 WeakPolarHBondContact O-CB 3.27Å; M604-A608 PolarHBondContact O-N 3.43Å; L605-A608 WeakPolarHBondContact O-CB 3.32Å; L605-A608 PolarHBondContact O-N 3.26Å; R606-A608 PolarHBondContact O-N 2.7Å; A608-Q610 PolarHBondContact O-N 2.69Å; A608-C611 PolarHBondContact O-N 2.66Å; A608-C612 PolarHBondContact O-N 3.38Å; A608-C612 PolarHBondContact O-SG 3.44Å |
| 609 | A | 63.3 | Low | 58 | Low | 18 Ų | 18 | 45.8 Ų | 45.8 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L605 R606 C612 L613 L719 | L605-A609 PolarHBondContact O-N 2.95Å; R606-A609 PolarHBondContact O-N 3.12Å; R606-A609 VanDerWaalsContact O-N 3.09Å; A609-C612 WeakPolarHBondContact O-CB 3.35Å; A609-C612 PolarHBondContact O-N 2.97Å; A609-L613 PolarHBondContact O-N 3.13Å; A609-L719 HydrophobicContact CB-CD2 3.99Å |
| 610 | Q | 63.8 | Low | 57.6 | Low | 5 Ų | 5 | 50.4 Ų | 50.4 | 2% | 0.023 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 176.6 | -161.5 | 177.5 | 20.1 | 0 | 0 | 112.1 | R606 I607 A608 C612 L613 F614 K715 L719 | R606-Q610 PolarHBondContact O-N 2.94Å; I607-Q610 PolarHBondContact O-N 3.48Å; A608-Q610 PolarHBondContact O-N 2.69Å; Q610-C612 VanDerWaalsContact C-N 3.29Å; Q610-C612 PolarHBondContact O-N 3.37Å; Q610-L613 PolarHBondContact O-N 3.44Å; Q610-F614 HydrophobicContact CG-CD2 3.88Å; Q610-F614 HydrophobicContact CG-CE2 4.31Å; Q610-F614 PolarHBondContact O-N 2.96Å; Q610-K715 HydrophobicContact CG-CB 4.3Å; Q610-K715 VanDerWaalsContact NE2-CB 3.3Å; Q610-L719 HydrophobicContact CB-CD1 3.8Å; Q610-L719 HydrophobicContact CG-CD1 4.13Å |
| 611 | C | 62.5 | Low | 57 | Low | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 174.9 | -73.8 | 0 | 0 | 0 | 0 | 112.2 | I607 A608 K615 | I607-C611 WeakPolarHBondContact O-CB 3.27Å; I607-C611 PolarHBondContact O-N 3.24Å; I607-C611 PolarHBondContact O-SG 2.75Å; A608-C611 PolarHBondContact O-N 2.66Å; C611-K615 PolarHBondContact O-N 2.84Å |
| 612 | C | 62.3 | Low | 56.5 | Low | 14 Ų | 14 | 51.6 Ų | 51.6 | 10% | 0.095 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.4 | -45.6 | 176.2 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | M560 S568 A608 A609 Q610 | M560-C612 VanDerWaalsContact CE-SG 3.54Å; S568-C612 PolarHBondContact OG-SG 3.01Å; S568-C612 VanDerWaalsContact OG-SG 3.42Å; A608-C612 PolarHBondContact O-N 3.38Å; A608-C612 PolarHBondContact O-SG 3.44Å; A609-C612 WeakPolarHBondContact O-CB 3.35Å; A609-C612 PolarHBondContact O-N 2.97Å; Q610-C612 VanDerWaalsContact C-N 3.29Å; Q610-C612 PolarHBondContact O-N 3.37Å |
| 613 | L | 63.9 | Low | 55.8 | Low | 107 Ų | 107 | 47.4 Ų | 47.4 | 56% | 0.56 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -72 | -44.6 | -175.9 | -95.5 | 146.5 | 0 | 0 | 0 | 113.7 | A609 Q610 L719 | A609-L613 PolarHBondContact O-N 3.13Å; Q610-L613 PolarHBondContact O-N 3.44Å; L613-L719 HydrophobicContact CD1-CD2 3.27Å; L613-L719 HydrophobicContact CD1-CG 4.42Å |
| 614 | F | 65.3 | Low | 55 | Low | 46 Ų | 46 | 54.8 Ų | 54.8 | 20% | 0.202 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -99.8 | -1 | -171 | -63.6 | -77.6 | 0 | 0 | 0 | 114.7 | Q610 T616 A682 K715 I718 | Q610-F614 HydrophobicContact CG-CD2 3.88Å; Q610-F614 HydrophobicContact CG-CE2 4.31Å; Q610-F614 PolarHBondContact O-N 2.96Å; F614-T616 HydrophobicContact CB-CG2 4.03Å; F614-T616 PolarHBondContact O-N 3.37Å; F614-A682 HydrophobicContact CE1-CB 4.11Å; F614-K715 HydrophobicContact CD1-CG 4.07Å; F614-K715 HydrophobicContact CD2-CB 3.97Å; F614-K715 HydrophobicContact CD2-CD 4.19Å; F614-K715 HydrophobicContact CD2-CG 3.83Å; F614-K715 HydrophobicContact CE1-CB 4.48Å; F614-K715 HydrophobicContact CE1-CG 3.88Å; F614-K715 HydrophobicContact CE2-CB 3.46Å; F614-K715 VanDerWaalsContact CE2-CB 3.46Å; F614-K715 HydrophobicContact CE2-CD 4.46Å; F614-K715 HydrophobicContact CE2-CG 3.64Å; F614-K715 HydrophobicContact CG-CD 4.27Å; F614-K715 HydrophobicContact CG-CG 4.05Å; F614-K715 HydrophobicContact CZ-CB 3.77Å; F614-K715 HydrophobicContact CZ-CG 3.67Å; F614-I718 HydrophobicContact CE1-CD1 4.39Å; F614-I718 HydrophobicContact CZ-CB 4.48Å; F614-I718 HydrophobicContact CZ-CD1 3.98Å; F614-I718 HydrophobicContact CZ-CG2 4.5Å |
| 615 | K | 57.9 | Low | 54.5 | Low | 173 Ų | 173 | 54.6 Ų | 54.6 | 75% | 0.752 | 28% | 0.283 | S | S | * | . | trans | 46.1 | 35.1 | -179.6 | -61.9 | -177.6 | -178.4 | 175 | 0 | 113.6 | C611 D617 | C611-K615 PolarHBondContact O-N 2.84Å; K615-D617 PolarHBondContact O-N 2.8Å | ||
| 616 | T | 51.3 | Low | 53.8 | Low | 33 Ų | 33 | 54.3 Ų | 54.3 | 20% | 0.202 | 28% | 0.282 | C | S | . | . | trans | -77.2 | 123.8 | -177 | 45 | 0 | 0 | 0 | 0 | 110.9 | F614 S618 | F614-T616 HydrophobicContact CB-CG2 4.03Å; F614-T616 PolarHBondContact O-N 3.37Å; T616-S618 PolarHBondContact O-N 3.23Å | ||
| 617 | D | 44.6 | Very low | 52.9 | Low | 150 Ų | 150 | 55.3 Ų | 55.3 | 80% | 0.802 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -60.9 | -10.3 | 177.4 | -85.3 | -33.2 | 0 | 0 | 0 | 114.8 | K615 | K615-D617 PolarHBondContact O-N 2.8Š|
| 618 | S | 44.8 | Very low | 52.1 | Low | 56 Ų | 56 | 54.9 Ų | 54.9 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | trans | -110.4 | 68.4 | -174.6 | 71.9 | 0 | 0 | 0 | 0 | 112.8 | T616 L620 S621 | T616-S618 PolarHBondContact O-N 3.23Å; S618-L620 PolarHBondContact O-N 2.9Å; S618-S621 PolarHBondContact O-N 3.38Å; S618-S621 PolarHBondContact O-OG 2.92Å; S618-S621 PolarHBondContact OG-OG 3.11Å; S618-S621 VanDerWaalsContact OG-OG 3.07Å | ||
| 619 | C | 42.1 | Very low | 51.4 | Low | 23 Ų | 23 | 55 Ų | 55 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -13.4 | 162.6 | -61.7 | 0 | 0 | 0 | 0 | 112.9 | I575 P623 | I575-C619 HydrophobicContact CD1-CB 3.68Å; C619-P623 WeakPolarHBondContact O-CD 3.44Å |
| 620 | L | 43.4 | Very low | 50.7 | Low | 121 Ų | 121 | 56.4 Ų | 56.4 | 63% | 0.634 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -18.9 | 177.9 | -69.3 | 164.3 | 0 | 0 | 0 | 114.8 | S618 T649 | S618-L620 PolarHBondContact O-N 2.9Å; L620-T649 HydrophobicContact CD1-CG2 4.31Å |
| 621 | S | 43.5 | Very low | 49.7 | Very low | 48 Ų | 48 | 58.8 Ų | 58.8 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73 | -32.6 | 179.8 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | S618 R624 | S618-S621 PolarHBondContact O-N 3.38Å; S618-S621 PolarHBondContact O-OG 2.92Å; S618-S621 PolarHBondContact OG-OG 3.11Å; S618-S621 VanDerWaalsContact OG-OG 3.07Å; S621-R624 VanDerWaalsContact O-CB 3.27Å; S621-R624 WeakPolarHBondContact O-CB 3.44Å; S621-R624 PolarHBondContact O-N 2.95Å |
| 622 | L | 46.9 | Very low | 48.8 | Very low | 25 Ų | 25 | 61.1 Ų | 61.1 | 13% | 0.131 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.6 | -47.1 | 179 | -87.2 | 144.7 | 0 | 0 | 0 | 114.7 | I607 R624 N625 | I607-L622 HydrophobicContact CG1-CB 4.39Å; I607-L622 HydrophobicContact CG1-CD2 4.42Å; I607-L622 HydrophobicContact CG2-CB 4.42Å; I607-L622 HydrophobicContact CG2-CD1 4.25Å; L622-R624 PolarHBondContact O-N 2.93Å; L622-R624 VanDerWaalsContact O-N 3.16Å; L622-N625 PolarHBondContact O-N 3.48Å |
| 623 | P | 45.1 | Very low | 47.7 | Very low | 43 Ų | 43 | 66.8 Ų | 66.8 | 28% | 0.279 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.9 | -28.5 | 171.9 | -27 | 33.6 | 0 | 0 | 0 | 113.4 | Y599 C619 F627 | Y599-P623 WeakPolarHBondContact OH-CA 3.02Å; Y599-P623 WeakPolarHBondContact OH-CB 3.42Å; C619-P623 WeakPolarHBondContact O-CD 3.44Å; P623-F627 WeakPolarHBondContact O-CB 3.5Å; P623-F627 PolarHBondContact O-N 3.36Å |
| 624 | R | 44.5 | Very low | 46.6 | Very low | 165 Ų | 165 | 67.6 Ų | 67.6 | 62% | 0.623 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.1 | -45.2 | -179.7 | -171.8 | -178.2 | 170.3 | -175.1 | -3.8 | 111.8 | S621 L622 F627 L628 | S621-R624 VanDerWaalsContact O-CB 3.27Å; S621-R624 WeakPolarHBondContact O-CB 3.44Å; S621-R624 PolarHBondContact O-N 2.95Å; L622-R624 PolarHBondContact O-N 2.93Å; L622-R624 VanDerWaalsContact O-N 3.16Å; R624-F627 PolarHBondContact O-N 2.99Å; R624-L628 HydrophobicContact CG-CD1 4.14Å; R624-L628 WeakPolarHBondContact O-CB 3.45Å; R624-L628 WeakPolarHBondContact O-CG 3.49Å; R624-L628 PolarHBondContact O-N 2.89Å |
| 625 | N | 48.9 | Very low | 45.3 | Very low | 32 Ų | 32 | 70.4 Ų | 70.4 | 17% | 0.171 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 178.7 | -74.3 | -16.7 | 0 | 0 | 0 | 111 | L622 L628 V629 | L622-N625 PolarHBondContact O-N 3.48Å; N625-L628 PolarHBondContact O-N 2.88Å; N625-V629 WeakPolarHBondContact O-CG2 3.46Å; N625-V629 PolarHBondContact O-N 3.5Å |
| 626 | L | 47.7 | Very low | 44.4 | Very low | 16 Ų | 16 | 66.8 Ų | 66.8 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.8 | -36.2 | 179.7 | -142.3 | 100 | 0 | 0 | 0 | 112.7 | Y599 V629 T630 C889 | Y599-L626 HydrophobicContact CD1-CD2 4Å; Y599-L626 HydrophobicContact CE1-CB 4.48Å; Y599-L626 HydrophobicContact CE1-CD2 3.51Å; Y599-L626 HydrophobicContact CE1-CG 4.5Å; L626-V629 WeakPolarHBondContact O-CB 3.44Å; L626-V629 PolarHBondContact O-N 3.06Å; L626-T630 PolarHBondContact O-N 2.87Å; L626-T630 PolarHBondContact O-OG1 3.2Å; L626-C889 HydrophobicContact CD1-CB 4.16Å |
| 627 | F | 47.4 | Very low | 43.7 | Very low | 46 Ų | 46 | 65.9 Ų | 65.9 | 20% | 0.202 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70 | -38.4 | 176.1 | -177.3 | -91.8 | 0 | 0 | 0 | 112.3 | P623 R624 V629 T630 W631 L641 | P623-F627 WeakPolarHBondContact O-CB 3.5Å; P623-F627 PolarHBondContact O-N 3.36Å; R624-F627 PolarHBondContact O-N 2.99Å; F627-V629 PolarHBondContact O-N 2.83Å; F627-T630 WeakPolarHBondContact CA-OG1 3.34Å; F627-T630 PolarHBondContact O-N 3.35Å; F627-W631 HydrophobicContact CD1-CB 4.36Å; F627-W631 HydrophobicContact CD2-CB 3.95Å; F627-W631 HydrophobicContact CD2-CG 4.4Å; F627-W631 HydrophobicContact CE1-CB 4.12Å; F627-W631 HydrophobicContact CE1-CE3 4.16Å; F627-W631 HydrophobicContact CE2-CB 3.68Å; F627-W631 AromaticContact CE2-CD2 3.62Å; F627-W631 HydrophobicContact CE2-CD2 3.62Å; F627-W631 AromaticContact CE2-CE3 3.4Å; F627-W631 HydrophobicContact CE2-CE3 3.4Å; F627-W631 AromaticContact CE2-CG 3.82Å; F627-W631 HydrophobicContact CE2-CG 3.82Å; F627-W631 AromaticContact CE2-CZ3 3.98Å; F627-W631 HydrophobicContact CE2-CZ3 3.98Å; F627-W631 HydrophobicContact CG-CB 4.3Å; F627-W631 HydrophobicContact CZ-CB 3.8Å; F627-W631 AromaticContact CZ-CD2 3.76Å; F627-W631 HydrophobicContact CZ-CD2 3.76Å; F627-W631 AromaticContact CZ-CE3 3.1Å; F627-W631 HydrophobicContact CZ-CE3 3.1Å; F627-W631 HydrophobicContact CZ-CG 4.1Å; F627-W631 AromaticContact CZ-CZ3 3.72Å; F627-W631 HydrophobicContact CZ-CZ3 3.72Å; F627-W631 PolarHBondContact O-N 2.98Å; F627-L641 HydrophobicContact CE1-CD1 4.29Å; F627-L641 HydrophobicContact CE2-CD1 3.69Å; F627-L641 HydrophobicContact CZ-CD1 3.28Å |
| 628 | L | 45.8 | Very low | 43.2 | Very low | 20 Ų | 20 | 65.5 Ų | 65.5 | 11% | 0.105 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.3 | -33.4 | 174.6 | -76 | 167.8 | 0 | 0 | 0 | 111.7 | R624 N625 S632 R638 A891 | R624-L628 HydrophobicContact CG-CD1 4.14Å; R624-L628 WeakPolarHBondContact O-CB 3.45Å; R624-L628 WeakPolarHBondContact O-CG 3.49Å; R624-L628 PolarHBondContact O-N 2.89Å; N625-L628 PolarHBondContact O-N 2.88Å; L628-S632 PolarHBondContact O-OG 3.11Å; L628-R638 VanDerWaalsContact CD2-NH2 3.32Å; L628-A891 HydrophobicContact CB-CB 3.55Å; L628-A891 HydrophobicContact CD1-CB 4.28Å |
| 629 | V | 45.7 | Very low | 42.9 | Very low | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.03 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -72.6 | -48.2 | 174.2 | 170.2 | 0 | 0 | 0 | 0 | 112.4 | N625 L626 F627 M726 F880 C889 A891 | N625-V629 WeakPolarHBondContact O-CG2 3.46Å; N625-V629 PolarHBondContact O-N 3.5Å; L626-V629 WeakPolarHBondContact O-CB 3.44Å; L626-V629 PolarHBondContact O-N 3.06Å; F627-V629 PolarHBondContact O-N 2.83Å; V629-M726 HydrophobicContact CB-CE 3.95Å; V629-M726 HydrophobicContact CG1-CE 3.12Å; V629-M726 HydrophobicContact CG1-SD 3.73Å; V629-M726 HydrophobicContact CG2-CB 4.43Å; V629-M726 HydrophobicContact CG2-CE 3.52Å; V629-F880 HydrophobicContact CG1-CD2 3.86Å; V629-F880 HydrophobicContact CG1-CE1 4.18Å; V629-F880 HydrophobicContact CG1-CE2 3.46Å; V629-F880 VanDerWaalsContact CG1-CE2 3.46Å; V629-F880 HydrophobicContact CG1-CG 4.38Å; V629-F880 HydrophobicContact CG1-CZ 3.63Å; V629-C889 HydrophobicContact CG2-CB 4.49Å; V629-A891 HydrophobicContact CG2-CB 3.9Å |
| 630 | T | 46.9 | Very low | 42.6 | Very low | 47 Ų | 47 | 71 Ų | 71 | 29% | 0.288 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -85.8 | -24.8 | -168 | 43.3 | 0 | 0 | 0 | 0 | 114.4 | L626 F627 F880 | L626-T630 PolarHBondContact O-N 2.87Å; L626-T630 PolarHBondContact O-OG1 3.2Å; F627-T630 WeakPolarHBondContact CA-OG1 3.34Å; F627-T630 PolarHBondContact O-N 3.35Å; T630-F880 HydrophobicContact CG2-CD1 4.4Å; T630-F880 HydrophobicContact CG2-CE1 3.44Å; T630-F880 VanDerWaalsContact CG2-CE1 3.44Å; T630-F880 HydrophobicContact CG2-CZ 3.88Å |
| 631 | W | 44.2 | Very low | 42.3 | Very low | 55 Ų | 55 | 66.3 Ų | 66.3 | 21% | 0.208 | 34% | 0.341 | C | S | . | . | trans | -125.9 | 13.3 | -165.2 | -124.5 | 54.6 | 0 | 0 | 0 | 115.6 | V591 F627 M633 R634 A637 L641 | V591-W631 HydrophobicContact CG1-CH2 4.05Å; F627-W631 HydrophobicContact CD1-CB 4.36Å; F627-W631 HydrophobicContact CD2-CB 3.95Å; F627-W631 HydrophobicContact CD2-CG 4.4Å; F627-W631 HydrophobicContact CE1-CB 4.12Å; F627-W631 HydrophobicContact CE1-CE3 4.16Å; F627-W631 HydrophobicContact CE2-CB 3.68Å; F627-W631 AromaticContact CE2-CD2 3.62Å; F627-W631 HydrophobicContact CE2-CD2 3.62Å; F627-W631 AromaticContact CE2-CE3 3.4Å; F627-W631 HydrophobicContact CE2-CE3 3.4Å; F627-W631 AromaticContact CE2-CG 3.82Å; F627-W631 HydrophobicContact CE2-CG 3.82Å; F627-W631 AromaticContact CE2-CZ3 3.98Å; F627-W631 HydrophobicContact CE2-CZ3 3.98Å; F627-W631 HydrophobicContact CG-CB 4.3Å; F627-W631 HydrophobicContact CZ-CB 3.8Å; F627-W631 AromaticContact CZ-CD2 3.76Å; F627-W631 HydrophobicContact CZ-CD2 3.76Å; F627-W631 AromaticContact CZ-CE3 3.1Å; F627-W631 HydrophobicContact CZ-CE3 3.1Å; F627-W631 HydrophobicContact CZ-CG 4.1Å; F627-W631 AromaticContact CZ-CZ3 3.72Å; F627-W631 HydrophobicContact CZ-CZ3 3.72Å; F627-W631 PolarHBondContact O-N 2.98Å; W631-M633 PolarHBondContact O-N 3.41Å; W631-R634 PolarHBondContact O-N 2.79Å; W631-A637 HydrophobicContact CE3-CB 3.8Å; W631-A637 HydrophobicContact CH2-CB 3.93Å; W631-A637 HydrophobicContact CZ3-CB 3.21Å; W631-L641 HydrophobicContact CE3-CD1 4.03Å; W631-L641 HydrophobicContact CH2-CD1 4.11Å; W631-L641 HydrophobicContact CZ3-CD1 3.36Å | ||
| 632 | S | 42.1 | Very low | 42 | Very low | 58 Ų | 58 | 67.9 Ų | 67.9 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -6.1 | 170.6 | 9.1 | 0 | 0 | 0 | 0 | 113.4 | L628 R634 | L628-S632 PolarHBondContact O-OG 3.11Å; S632-R634 PolarHBondContact O-N 3.35Å |
| 633 | M | 40.5 | Very low | 41.5 | Very low | 134 Ų | 134 | 72.7 Ų | 72.7 | 66% | 0.66 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -7.6 | 172.4 | -67.1 | -125.9 | -80.9 | 0 | 0 | 115.1 | W631 | W631-M633 PolarHBondContact O-N 3.41Š|
| 634 | R | 40 | Very low | 41.1 | Very low | 123 Ų | 123 | 72.6 Ų | 72.6 | 46% | 0.464 | 37% | 0.368 | S | S | . | . | trans | -137.1 | 84.9 | -175.8 | -65 | -179.1 | 178.7 | 168.2 | -0.3 | 112.7 | W631 S632 S636 A637 | W631-R634 PolarHBondContact O-N 2.79Å; S632-R634 PolarHBondContact O-N 3.35Å; R634-S636 PolarHBondContact O-N 3.11Å; R634-S636 VanDerWaalsContact O-N 3.16Å; R634-A637 HydrophobicContact CB-CB 3.99Å; R634-A637 PolarHBondContact O-N 3.41Å | ||
| 635 | V | 38.6 | Very low | 40.8 | Very low | 106 Ų | 106 | 67 Ų | 67 | 64% | 0.642 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -50.8 | -40.1 | 175.9 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | A637 R638 | V635-A637 VanDerWaalsContact C-N 3.25Å; V635-A637 PolarHBondContact O-N 3.05Å; V635-R638 PolarHBondContact O-N 3.47Å |
| 636 | S | 38 | Very low | 40.1 | Very low | 96 Ų | 96 | 69.3 Ų | 69.3 | 67% | 0.671 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.4 | -19.5 | -179.8 | -69.3 | 0 | 0 | 0 | 0 | 115.3 | R634 S639 | R634-S636 PolarHBondContact O-N 3.11Å; R634-S636 VanDerWaalsContact O-N 3.16Å; S636-S639 PolarHBondContact O-OG 2.83Å |
| 637 | A | 37.5 | Very low | 39.5 | Very low | 14 Ų | 14 | 76.7 Ų | 76.7 | 12% | 0.116 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -90.3 | -18.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W631 R634 V635 S639 Q640 L641 | W631-A637 HydrophobicContact CE3-CB 3.8Å; W631-A637 HydrophobicContact CH2-CB 3.93Å; W631-A637 HydrophobicContact CZ3-CB 3.21Å; R634-A637 HydrophobicContact CB-CB 3.99Å; R634-A637 PolarHBondContact O-N 3.41Å; V635-A637 VanDerWaalsContact C-N 3.25Å; V635-A637 PolarHBondContact O-N 3.05Å; A637-S639 PolarHBondContact O-N 3.4Å; A637-Q640 PolarHBondContact O-N 2.97Å; A637-L641 WeakPolarHBondContact O-CB 3.33Å; A637-L641 PolarHBondContact O-N 3.13Å; A637-L641 VanDerWaalsContact O-N 3.08Å |
| 638 | R | 34.7 | Very low | 39 | Very low | 142 Ų | 142 | 77 Ų | 77 | 54% | 0.536 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | -179.3 | -150.2 | 175.9 | -173.8 | 174.3 | 2.8 | 111.8 | L628 V635 T642 D893 | L628-R638 VanDerWaalsContact CD2-NH2 3.32Å; V635-R638 PolarHBondContact O-N 3.47Å; R638-T642 PolarHBondContact O-N 2.92Å; R638-T642 PolarHBondContact O-OG1 3.18Å; R638-T642 VanDerWaalsContact O-OG1 3.1Å; R638-D893 IonicContact NH2-OD2 3.25Å |
| 639 | S | 37.9 | Very low | 38.5 | Very low | 72 Ų | 72 | 77.9 Ų | 77.9 | 50% | 0.503 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.7 | -43.7 | -178.9 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | S636 A637 L641 T642 Q643 | S636-S639 PolarHBondContact O-OG 2.83Å; A637-S639 PolarHBondContact O-N 3.4Å; S639-L641 VanDerWaalsContact C-N 3.3Å; S639-L641 PolarHBondContact O-N 2.77Å; S639-T642 PolarHBondContact O-OG1 3.02Å; S639-Q643 PolarHBondContact O-N 3.09Å |
| 640 | Q | 35.9 | Very low | 37.8 | Very low | 122 Ų | 122 | 80.9 Ų | 80.9 | 57% | 0.57 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66 | -33.5 | 178.5 | -68.6 | -173.4 | -3.6 | 0 | 0 | 112 | A637 T644 | A637-Q640 PolarHBondContact O-N 2.97Å; Q640-T644 PolarHBondContact O-N 3.21Å; Q640-T644 PolarHBondContact O-OG1 3.04Å |
| 641 | L | 36.8 | Very low | 36.9 | Very low | 24 Ų | 24 | 86.6 Ų | 86.6 | 13% | 0.126 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -76.2 | -42 | 179.3 | -93.6 | 167.2 | 0 | 0 | 0 | 114.1 | V591 F627 W631 A637 S639 Q643 T644 S645 | V591-L641 HydrophobicContact CB-CD2 4.47Å; V591-L641 HydrophobicContact CG1-CD1 3.79Å; V591-L641 HydrophobicContact CG1-CD2 3.45Å; V591-L641 VanDerWaalsContact CG1-CD2 3.45Å; V591-L641 HydrophobicContact CG1-CG 3.9Å; F627-L641 HydrophobicContact CE1-CD1 4.29Å; F627-L641 HydrophobicContact CE2-CD1 3.69Å; F627-L641 HydrophobicContact CZ-CD1 3.28Å; W631-L641 HydrophobicContact CE3-CD1 4.03Å; W631-L641 HydrophobicContact CH2-CD1 4.11Å; W631-L641 HydrophobicContact CZ3-CD1 3.36Å; A637-L641 WeakPolarHBondContact O-CB 3.33Å; A637-L641 PolarHBondContact O-N 3.13Å; A637-L641 VanDerWaalsContact O-N 3.08Å; S639-L641 VanDerWaalsContact C-N 3.3Å; S639-L641 PolarHBondContact O-N 2.77Å; L641-Q643 PolarHBondContact O-N 3.39Å; L641-T644 VanDerWaalsContact CA-OG1 3.29Å; L641-T644 WeakPolarHBondContact CA-OG1 3.42Å; L641-T644 PolarHBondContact O-N 2.89Å; L641-T644 VanDerWaalsContact O-N 3.15Å; L641-T644 PolarHBondContact O-OG1 3.46Å; L641-S645 WeakPolarHBondContact O-CB 3.43Å; L641-S645 PolarHBondContact O-N 2.8Å; L641-S645 PolarHBondContact O-OG 3.22Å |
| 642 | T | 37.5 | Very low | 36 | Very low | 81 Ų | 81 | 88.3 Ų | 88.3 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54.2 | -40 | 172.6 | 33.6 | 0 | 0 | 0 | 0 | 110.6 | R638 S639 S645 L646 | R638-T642 PolarHBondContact O-N 2.92Å; R638-T642 PolarHBondContact O-OG1 3.18Å; R638-T642 VanDerWaalsContact O-OG1 3.1Å; S639-T642 PolarHBondContact O-OG1 3.02Å; T642-S645 PolarHBondContact O-OG 3.22Å; T642-L646 VanDerWaalsContact O-CB 3.24Å; T642-L646 WeakPolarHBondContact O-CB 3.45Å; T642-L646 WeakPolarHBondContact O-CD1 3.4Å; T642-L646 WeakPolarHBondContact O-CG 3.31Å; T642-L646 PolarHBondContact O-N 3.39Å |
| 643 | Q | 36.1 | Very low | 35.2 | Very low | 125 Ų | 125 | 90.1 Ų | 90.1 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.9 | -39.8 | 177.5 | -69.3 | -173.7 | 0.2 | 0 | 0 | 113.8 | S639 L641 K647 | S639-Q643 PolarHBondContact O-N 3.09Å; L641-Q643 PolarHBondContact O-N 3.39Å; Q643-K647 WeakPolarHBondContact O-CG 3.43Å; Q643-K647 PolarHBondContact O-N 2.8Å; Q643-K647 VanDerWaalsContact O-N 3.14Å |
| 644 | T | 37 | Very low | 34.5 | Very low | 41 Ų | 41 | 92.6 Ų | 92.6 | 25% | 0.252 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -77.4 | -41.4 | -177.6 | 41.3 | 0 | 0 | 0 | 0 | 112.9 | P588 Q640 L641 L646 K647 A648 | P588-T644 HydrophobicContact CB-CG2 4.11Å; P588-T644 HydrophobicContact CG-CG2 4.01Å; Q640-T644 PolarHBondContact O-N 3.21Å; Q640-T644 PolarHBondContact O-OG1 3.04Å; L641-T644 VanDerWaalsContact CA-OG1 3.29Å; L641-T644 WeakPolarHBondContact CA-OG1 3.42Å; L641-T644 PolarHBondContact O-N 2.89Å; L641-T644 VanDerWaalsContact O-N 3.15Å; L641-T644 PolarHBondContact O-OG1 3.46Å; T644-L646 VanDerWaalsContact C-N 3.32Å; T644-L646 PolarHBondContact O-N 3.42Å; T644-K647 PolarHBondContact O-N 3.29Å; T644-A648 WeakPolarHBondContact O-CB 3.26Å; T644-A648 PolarHBondContact O-N 2.62Å |
| 645 | S | 37.6 | Very low | 33.8 | Very low | 47 Ų | 47 | 92 Ų | 92 | 33% | 0.329 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 173.3 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | L641 T642 T649 | L641-S645 WeakPolarHBondContact O-CB 3.43Å; L641-S645 PolarHBondContact O-N 2.8Å; L641-S645 PolarHBondContact O-OG 3.22Å; T642-S645 PolarHBondContact O-OG 3.22Å; S645-T649 WeakPolarHBondContact O-CG2 3.22Å |
| 646 | L | 33.7 | Very low | 33.2 | Very low | 81 Ų | 81 | 89.8 Ų | 89.8 | 42% | 0.424 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 172.3 | -83.2 | 163.8 | 0 | 0 | 0 | 112.1 | T642 T644 A648 T649 Y654 | T642-L646 VanDerWaalsContact O-CB 3.24Å; T642-L646 WeakPolarHBondContact O-CB 3.45Å; T642-L646 WeakPolarHBondContact O-CD1 3.4Å; T642-L646 WeakPolarHBondContact O-CG 3.31Å; T642-L646 PolarHBondContact O-N 3.39Å; T644-L646 VanDerWaalsContact C-N 3.32Å; T644-L646 PolarHBondContact O-N 3.42Å; L646-A648 VanDerWaalsContact C-N 3.33Å; L646-A648 PolarHBondContact O-N 2.89Å; L646-T649 PolarHBondContact O-N 3.47Å; L646-T649 PolarHBondContact O-OG1 2.91Å; L646-Y654 HydrophobicContact CD2-CD2 3.7Å; L646-Y654 HydrophobicContact CD2-CE2 3.88Å |
| 647 | K | 36.2 | Very low | 32.6 | Very low | 172 Ų | 172 | 91 Ų | 91 | 75% | 0.748 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.5 | -36.6 | 179.8 | -76.8 | 179.4 | 179 | -177.1 | 0 | 113 | Q643 T644 T649 | Q643-K647 WeakPolarHBondContact O-CG 3.43Å; Q643-K647 PolarHBondContact O-N 2.8Å; Q643-K647 VanDerWaalsContact O-N 3.14Å; T644-K647 PolarHBondContact O-N 3.29Å; K647-T649 VanDerWaalsContact C-N 3.28Å; K647-T649 PolarHBondContact O-N 3.45Å |
| 648 | A | 36.6 | Very low | 32 | Very low | 52 Ų | 52 | 98.7 Ų | 98.7 | 43% | 0.43 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.7 | -18.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | T644 L646 G650 | T644-A648 WeakPolarHBondContact O-CB 3.26Å; T644-A648 PolarHBondContact O-N 2.62Å; L646-A648 VanDerWaalsContact C-N 3.33Å; L646-A648 PolarHBondContact O-N 2.89Å; A648-G650 VanDerWaalsContact C-N 3.27Å; A648-G650 PolarHBondContact O-N 2.82Å |
| 649 | T | 34.5 | Very low | 31.6 | Very low | 38 Ų | 38 | 96.2 Ų | 96.2 | 23% | 0.233 | 57% | 0.565 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -7.2 | -178.5 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | L620 S645 L646 K647 K651 | L620-T649 HydrophobicContact CD1-CG2 4.31Å; S645-T649 WeakPolarHBondContact O-CG2 3.22Å; L646-T649 PolarHBondContact O-N 3.47Å; L646-T649 PolarHBondContact O-OG1 2.91Å; K647-T649 VanDerWaalsContact C-N 3.28Å; K647-T649 PolarHBondContact O-N 3.45Å; T649-K651 PolarHBondContact O-N 2.82Å |
| 650 | G | 31.7 | Very low | 31 | Very low | 69 Ų | 69 | 97.5 Ų | 97.5 | 71% | 0.711 | 57% | 0.571 | S | S | * | * | trans | 64.1 | -2.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A648 A652 | A648-G650 VanDerWaalsContact C-N 3.27Å; A648-G650 PolarHBondContact O-N 2.82Å; G650-A652 PolarHBondContact O-N 2.86Å | ||
| 651 | K | 27.9 | Very low | 30.6 | Very low | 167 Ų | 167 | 96.1 Ų | 96.1 | 73% | 0.726 | 57% | 0.571 | S | S | * | * | trans | -78.5 | 78 | 162.1 | -71.3 | -173 | 178 | -177.7 | 0 | 107.2 | T649 S653 | T649-K651 PolarHBondContact O-N 2.82Å; K651-S653 PolarHBondContact O-N 3.32Å; K651-S653 VanDerWaalsContact O-N 3.14Å | ||
| 652 | A | 25.9 | Very low | 30.5 | Very low | 91 Ų | 91 | 100.5 Ų | 100.5 | 75% | 0.752 | 60% | 0.599 | S | S | * | * | trans | -52.2 | 119.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | G650 | G650-A652 PolarHBondContact O-N 2.86Š| ||
| 653 | S | 24.2 | Very low | 30.3 | Very low | 96 Ų | 96 | 106 Ų | 106 | 67% | 0.671 | 62% | 0.616 | S | S | * | * | trans | 69.7 | 111.2 | -172.7 | 75.6 | 0 | 0 | 0 | 0 | 115.4 | K651 | K651-S653 PolarHBondContact O-N 3.32Å; K651-S653 VanDerWaalsContact O-N 3.14Å | ||
| 654 | Y | 25.5 | Very low | 30.1 | Very low | 185 Ų | 185 | 105.9 Ų | 105.9 | 73% | 0.725 | 62% | 0.62 | S | S | * | * | S | Bend | -52.8 | 129.5 | 129 | -104.9 | -96.4 | 0 | 0 | 0 | 104.8 | L646 G656 | L646-Y654 HydrophobicContact CD2-CD2 3.7Å; L646-Y654 HydrophobicContact CD2-CE2 3.88Å; Y654-G656 WeakPolarHBondContact O-CA 3.41Å; Y654-G656 PolarHBondContact O-N 2.85Å | |
| 655 | P | 25.4 | Very low | 30.1 | Very low | 111 Ų | 111 | 106.5 Ų | 106.5 | 72% | 0.721 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -50.3 | 115.6 | 173.4 | 22.4 | -30.2 | 0 | 0 | 0 | 106 | S657 | P655-S657 PolarHBondContact O-N 3.5Å; P655-S657 VanDerWaalsContact O-N 3.14Å |
| 656 | G | 26 | Very low | 30.3 | Very low | 59 Ų | 59 | 112.9 Ų | 112.9 | 61% | 0.608 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.8 | 123.3 | -157.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y654 K658 | Y654-G656 WeakPolarHBondContact O-CA 3.41Å; Y654-G656 PolarHBondContact O-N 2.85Å; G656-K658 PolarHBondContact O-N 2.95Å |
| 657 | S | 26.1 | Very low | 31.2 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 85% | 0.853 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 23.6 | 41.3 | 156 | 73.2 | 0 | 0 | 0 | 0 | 117.9 | P655 S659 | P655-S657 PolarHBondContact O-N 3.5Å; P655-S657 VanDerWaalsContact O-N 3.14Å; S657-S659 PolarHBondContact O-N 2.67Å |
| 658 | K | 24.3 | Very low | 32.4 | Very low | 175 Ų | 175 | 110.8 Ų | 110.8 | 76% | 0.761 | 63% | 0.63 | S | S | * | * | trans | -70.3 | 91.6 | 140.8 | -67.7 | -170.6 | -179.2 | -176.8 | 0 | 101.4 | G656 | G656-K658 PolarHBondContact O-N 2.95Š| ||
| 659 | S | 25.8 | Very low | 34.1 | Very low | 91 Ų | 91 | 112 Ų | 112 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | trans | -27.7 | 116 | 151.5 | 47.3 | 0 | 0 | 0 | 0 | 105.4 | S657 T661 | S657-S659 PolarHBondContact O-N 2.67Å; S659-T661 PolarHBondContact O-N 2.75Å | ||
| 660 | P | 26.2 | Very low | 36.2 | Very low | 98 Ų | 98 | 111 Ų | 111 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | trans | -45.8 | 112.7 | -169.1 | 18.3 | -30.3 | 0 | 0 | 0 | 105.4 | T662 | P660-T662 PolarHBondContact O-N 3.19Š| ||
| 661 | T | 27 | Very low | 38.7 | Very low | 93 Ų | 93 | 109.6 Ų | 109.6 | 57% | 0.571 | 61% | 0.609 | S | S | * | * | trans | -48.5 | 123.9 | -176 | 32.2 | 0 | 0 | 0 | 0 | 104.3 | S659 K663 D664 | S659-T661 PolarHBondContact O-N 2.75Å; T661-K663 PolarHBondContact O-N 3.11Å; T661-D664 PolarHBondContact O-N 3.01Å | ||
| 662 | T | 35.2 | Very low | 41.4 | Very low | 117 Ų | 117 | 105 Ų | 105 | 72% | 0.718 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 10.3 | -156.9 | -20.5 | 0 | 0 | 0 | 0 | 115.3 | P660 | P660-T662 PolarHBondContact O-N 3.19Š|
| 663 | K | 33 | Very low | 44 | Very low | 195 Ų | 195 | 107.5 Ų | 107.5 | 85% | 0.848 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -15.1 | -176.6 | -67.3 | -171.7 | 172.1 | -175.8 | 0 | 115.4 | T661 | T661-K663 PolarHBondContact O-N 3.11Š|
| 664 | D | 32.9 | Very low | 46.6 | Very low | 124 Ų | 124 | 110.4 Ų | 110.4 | 66% | 0.663 | 60% | 0.597 | S | S | * | * | trans | -107.4 | 16.1 | 177.7 | -70.7 | -17.2 | 0 | 0 | 0 | 114 | T661 F666 | T661-D664 PolarHBondContact O-N 3.01Å; D664-F666 PolarHBondContact O-N 3.34Å | ||
| 665 | I | 37.2 | Very low | 49.4 | Very low | 54 Ų | 54 | 106.7 Ų | 106.7 | 28% | 0.277 | 59% | 0.59 | S | S | . | * | trans | -70.7 | 90.9 | 159 | -55 | 173.5 | 0 | 0 | 0 | 104.8 | Y667 | I665-Y667 VanDerWaalsContact C-N 3.33Å; I665-Y667 WeakPolarHBondContact O-CD2 3.23Å; I665-Y667 PolarHBondContact O-N 3.28Å | ||
| 666 | F | 41.9 | Very low | 52.4 | Low | 180 Ų | 180 | 103.5 Ų | 103.5 | 79% | 0.789 | 57% | 0.568 | S | S | * | * | trans | -51.9 | 106.8 | 163.8 | -81.1 | -89.9 | 0 | 0 | 0 | 106.3 | D664 V668 | D664-F666 PolarHBondContact O-N 3.34Å; F666-V668 PolarHBondContact O-N 3.3Å | ||
| 667 | Y | 51.4 | Low | 55.4 | Low | 175 Ų | 175 | 100.7 Ų | 100.7 | 69% | 0.686 | 54% | 0.539 | S | S | * | . | trans | -60.1 | 103.6 | 174.2 | -77.8 | -93.5 | 0 | 0 | 0 | 106.4 | I665 S669 | I665-Y667 VanDerWaalsContact C-N 3.33Å; I665-Y667 WeakPolarHBondContact O-CD2 3.23Å; I665-Y667 PolarHBondContact O-N 3.28Å; Y667-S669 PolarHBondContact O-N 3.28Å; Y667-S669 VanDerWaalsContact O-N 3.09Å | ||
| 668 | V | 60.8 | Low | 58.3 | Low | 35 Ų | 35 | 97.7 Ų | 97.7 | 21% | 0.212 | 51% | 0.512 | C | S | . | . | trans | -68.1 | 109.7 | 173.9 | -169.8 | 0 | 0 | 0 | 0 | 105 | F666 G680 V707 R708 | F666-V668 PolarHBondContact O-N 3.3Å; V668-G680 VanDerWaalsContact CG1-CA 3.46Å; V668-V707 HydrophobicContact CB-CG1 4.09Å; V668-V707 HydrophobicContact CG1-CG1 3.66Å; V668-V707 WeakPolarHBondContact O-CG1 3.42Å; V668-R708 HydrophobicContact CG2-CG 4.24Å | ||
| 669 | S | 73.6 | Confident | 61.3 | Low | 78 Ų | 78 | 89.3 Ų | 89.3 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | trans | -106.8 | 146.8 | 176.1 | 50.8 | 0 | 0 | 0 | 0 | 109.4 | Y667 G680 | Y667-S669 PolarHBondContact O-N 3.28Å; Y667-S669 VanDerWaalsContact O-N 3.09Å; S669-G680 PolarHBondContact O-N 3.34Å | ||
| 670 | A | 78.9 | Confident | 63.9 | Low | 15 Ų | 15 | 85.6 Ų | 85.6 | 12% | 0.124 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q678 I679 V707 L743 | A670-Q678 WeakPolarHBondContact CA-O 3.42Å; A670-I679 HydrophobicContact CB-CG1 4.08Å; A670-I679 HydrophobicContact CB-CG2 4.3Å; A670-V707 HydrophobicContact CB-CG1 4.44Å; A670-L743 HydrophobicContact CB-CD1 3.93Å |
| 671 | C | 83.2 | Confident | 66.4 | Low | 40 Ų | 40 | 87.5 Ų | 87.5 | 27% | 0.27 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 146.8 | 175.7 | 69 | 0 | 0 | 0 | 0 | 111.6 | Q678 | C671-Q678 PolarHBondContact N-O 2.69Å; C671-Q678 PolarHBondContact O-N 2.81Å |
| 672 | V | 83.9 | Confident | 68.9 | Low | 71 Ų | 71 | 83 Ų | 83 | 43% | 0.43 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 114.8 | 170.8 | 179.3 | 0 | 0 | 0 | 0 | 107.1 | V676 L677 L686 | V672-V676 WeakPolarHBondContact CA-O 3.43Å; V672-L677 HydrophobicContact CG2-CB 4.37Å; V672-L677 HydrophobicContact CG2-CD1 3.74Å; V672-L686 HydrophobicContact CB-CD1 4.38Å; V672-L686 HydrophobicContact CG1-CD1 3.44Å; V672-L686 VanDerWaalsContact CG1-CD1 3.44Å; V672-L686 HydrophobicContact CG2-CD1 4.01Å |
| 673 | K | 81.3 | Confident | 71.3 | Confident | 144 Ų | 144 | 85 Ų | 85 | 63% | 0.626 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 132.6 | 175.3 | -67.6 | -174.7 | -180 | -178.2 | 0 | 108.5 | N675 V676 | K673-N675 VanDerWaalsContact C-N 3.31Å; K673-N675 PolarHBondContact O-N 2.98Å; K673-V676 PolarHBondContact N-O 2.88Å; K673-V676 WeakPolarHBondContact O-CA 3.39Å; K673-V676 WeakPolarHBondContact O-CB 3.49Å; K673-V676 PolarHBondContact O-N 3.03Å |
| 674 | D | 79.7 | Confident | 73.9 | Confident | 157 Ų | 157 | 77.5 Ų | 77.5 | 84% | 0.84 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 43.3 | 176.7 | -52 | -38.5 | 0 | 0 | 0 | 114.1 | V676 | D674-V676 PolarHBondContact O-N 2.95Å; D674-V676 VanDerWaalsContact O-N 3.13Å |
| 675 | N | 84.6 | Confident | 76.3 | Confident | 107 Ų | 107 | 77.5 Ų | 77.5 | 57% | 0.572 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 18.2 | -172.9 | -72.3 | -14.5 | 0 | 0 | 0 | 114.8 | K673 Q685 L686 | K673-N675 VanDerWaalsContact C-N 3.31Å; K673-N675 PolarHBondContact O-N 2.98Å; N675-Q685 PolarHBondContact O-NE2 3.16Å; N675-L686 WeakPolarHBondContact O-CA 3.5Å; N675-L686 VanDerWaalsContact O-CB 3.24Å; N675-L686 WeakPolarHBondContact O-CB 3.24Å; N675-L686 WeakPolarHBondContact O-CG 3.48Å; N675-L686 PolarHBondContact O-N 3.08Å |
| 676 | V | 86.9 | Confident | 78.6 | Confident | 43 Ų | 43 | 76.2 Ų | 76.2 | 26% | 0.261 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.3 | 170.8 | -179 | 0 | 0 | 0 | 0 | 108.3 | V672 K673 D674 R683 I684 Q685 | V672-V676 WeakPolarHBondContact CA-O 3.43Å; K673-V676 PolarHBondContact N-O 2.88Å; K673-V676 WeakPolarHBondContact O-CA 3.39Å; K673-V676 WeakPolarHBondContact O-CB 3.49Å; K673-V676 PolarHBondContact O-N 3.03Å; D674-V676 PolarHBondContact O-N 2.95Å; D674-V676 VanDerWaalsContact O-N 3.13Å; V676-R683 HydrophobicContact CG1-CB 4.29Å; V676-I684 WeakPolarHBondContact CA-O 3.35Å; V676-Q685 VanDerWaalsContact CG2-OE1 3.27Å |
| 677 | L | 89 | Confident | 80.2 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 122.8 | 167.9 | 171.5 | 66.5 | 0 | 0 | 0 | 108.3 | V672 I679 R683 I684 L686 L714 L743 L744 | V672-L677 HydrophobicContact CG2-CB 4.37Å; V672-L677 HydrophobicContact CG2-CD1 3.74Å; L677-I679 HydrophobicContact CD1-CD1 4.32Å; L677-I679 HydrophobicContact CD1-CG1 3.89Å; L677-I679 HydrophobicContact CD2-CD1 4.13Å; L677-I679 HydrophobicContact CD2-CG1 4.33Å; L677-I679 HydrophobicContact CG-CD1 4.37Å; L677-I679 HydrophobicContact CG-CG1 4.03Å; L677-R683 WeakPolarHBondContact O-CA 3.29Å; L677-I684 HydrophobicContact CB-CG2 3.91Å; L677-I684 HydrophobicContact CD2-CG2 4.15Å; L677-I684 HydrophobicContact CG-CG2 4.41Å; L677-I684 PolarHBondContact N-O 2.87Å; L677-I684 PolarHBondContact O-N 3.48Å; L677-L686 HydrophobicContact CB-CD1 4.14Å; L677-L686 HydrophobicContact CB-CD2 3.73Å; L677-L686 HydrophobicContact CB-CG 4Å; L677-L686 HydrophobicContact CD2-CD2 4.47Å; L677-L714 HydrophobicContact CD2-CD1 4.47Å; L677-L714 HydrophobicContact CD2-CD2 4.44Å; L677-L743 HydrophobicContact CD1-CB 3.91Å; L677-L743 HydrophobicContact CD1-CD2 4.31Å; L677-L743 HydrophobicContact CD2-CB 4.05Å; L677-L744 HydrophobicContact CD2-CD2 3.67Å; L677-L744 HydrophobicContact CD2-CG 4.01Å |
| 678 | Q | 88 | Confident | 80.9 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 28% | 0.276 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.4 | 169.4 | -179 | 173.8 | -15 | 0 | 0 | 109.4 | A670 C671 G680 A682 R683 | A670-Q678 WeakPolarHBondContact CA-O 3.42Å; C671-Q678 PolarHBondContact N-O 2.69Å; C671-Q678 PolarHBondContact O-N 2.81Å; Q678-G680 WeakPolarHBondContact CG-O 3.38Å; Q678-G680 PolarHBondContact NE2-O 2.96Å; Q678-A682 WeakPolarHBondContact CA-O 3.38Å; Q678-R683 HydrophobicContact CB-CG 4.04Å; Q678-R683 VanDerWaalsContact CD-NE 3.29Å; Q678-R683 HydrophobicContact CG-CG 3.84Å |
| 679 | I | 86.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 107.7 | 169.1 | -50.3 | -178.3 | 0 | 0 | 0 | 107 | A670 L677 N681 A682 V707 M710 E711 L714 L743 | A670-I679 HydrophobicContact CB-CG1 4.08Å; A670-I679 HydrophobicContact CB-CG2 4.3Å; L677-I679 HydrophobicContact CD1-CD1 4.32Å; L677-I679 HydrophobicContact CD1-CG1 3.89Å; L677-I679 HydrophobicContact CD2-CD1 4.13Å; L677-I679 HydrophobicContact CD2-CG1 4.33Å; L677-I679 HydrophobicContact CG-CD1 4.37Å; L677-I679 HydrophobicContact CG-CG1 4.03Å; I679-N681 PolarHBondContact O-N 3.09Å; I679-A682 PolarHBondContact N-O 2.7Å; I679-A682 PolarHBondContact O-N 3.29Å; I679-A682 VanDerWaalsContact O-N 3.07Å; I679-V707 HydrophobicContact CG2-CG1 3.83Å; I679-M710 HydrophobicContact CD1-CB 4.2Å; I679-M710 HydrophobicContact CG2-CB 4.42Å; I679-E711 HydrophobicContact CG2-CB 3.85Å; I679-E711 WeakPolarHBondContact O-CG 3.39Å; I679-L714 HydrophobicContact CB-CD2 4Å; I679-L714 HydrophobicContact CD1-CB 4.5Å; I679-L714 HydrophobicContact CD1-CD2 4.05Å; I679-L714 HydrophobicContact CG1-CD2 3.89Å; I679-L743 HydrophobicContact CD1-CD1 4.14Å |
| 680 | G | 80.9 | Confident | 80.8 | Confident | 12 Ų | 12 | 68.8 Ų | 68.8 | 12% | 0.124 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | -120.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V668 S669 Q678 | V668-G680 VanDerWaalsContact CG1-CA 3.46Å; S669-G680 PolarHBondContact O-N 3.34Å; Q678-G680 WeakPolarHBondContact CG-O 3.38Å; Q678-G680 PolarHBondContact NE2-O 2.96Å |
| 681 | N | 77.9 | Confident | 80.5 | Confident | 138 Ų | 138 | 70 Ų | 70 | 74% | 0.738 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -13.5 | 179 | -66.7 | -24.3 | 0 | 0 | 0 | 113.6 | I679 E711 | I679-N681 PolarHBondContact O-N 3.09Å; N681-E711 PolarHBondContact N-OE1 3.01Å |
| 682 | A | 81.2 | Confident | 80 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 136.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F614 Q678 I679 E711 L714 K715 | F614-A682 HydrophobicContact CE1-CB 4.11Å; Q678-A682 WeakPolarHBondContact CA-O 3.38Å; I679-A682 PolarHBondContact N-O 2.7Å; I679-A682 PolarHBondContact O-N 3.29Å; I679-A682 VanDerWaalsContact O-N 3.07Å; A682-E711 HydrophobicContact CB-CG 4.39Å; A682-L714 HydrophobicContact CB-CB 4.23Å; A682-L714 HydrophobicContact CB-CD2 3.73Å; A682-L714 HydrophobicContact CB-CG 3.97Å; A682-K715 HydrophobicContact CB-CG 4.03Å |
| 683 | R | 84.4 | Confident | 79.8 | Confident | 158 Ų | 158 | 76.2 Ų | 76.2 | 60% | 0.596 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 137.1 | -179.5 | -67.5 | 179.3 | 172.2 | 162.6 | -1.3 | 110.1 | V676 L677 Q678 | V676-R683 HydrophobicContact CG1-CB 4.29Å; L677-R683 WeakPolarHBondContact O-CA 3.29Å; Q678-R683 HydrophobicContact CB-CG 4.04Å; Q678-R683 VanDerWaalsContact CD-NE 3.29Å; Q678-R683 HydrophobicContact CG-CG 3.84Å |
| 684 | I | 86.8 | Confident | 79.9 | Confident | 38 Ų | 38 | 72 Ų | 72 | 20% | 0.195 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 141.1 | 174.2 | -165.3 | 171.9 | 0 | 0 | 0 | 110.2 | V676 L677 L686 L714 Y717 I718 L744 | V676-I684 WeakPolarHBondContact CA-O 3.35Å; L677-I684 HydrophobicContact CB-CG2 3.91Å; L677-I684 HydrophobicContact CD2-CG2 4.15Å; L677-I684 HydrophobicContact CG-CG2 4.41Å; L677-I684 PolarHBondContact N-O 2.87Å; L677-I684 PolarHBondContact O-N 3.48Å; I684-L686 HydrophobicContact CG2-CD2 4.4Å; I684-L714 HydrophobicContact CB-CD1 4.27Å; I684-L714 HydrophobicContact CG2-CD1 3.78Å; I684-Y717 HydrophobicContact CD1-CD1 4.22Å; I684-Y717 HydrophobicContact CD1-CE1 4.26Å; I684-I718 HydrophobicContact CB-CD1 4.33Å; I684-I718 HydrophobicContact CB-CG1 4.37Å; I684-I718 HydrophobicContact CD1-CG1 3.95Å; I684-I718 HydrophobicContact CG1-CG1 4.36Å; I684-L744 HydrophobicContact CD1-CD2 4.46Å; I684-L744 HydrophobicContact CG2-CD2 3.82Å |
| 685 | Q | 85.3 | Confident | 80.1 | Confident | 124 Ų | 124 | 66 Ų | 66 | 58% | 0.579 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 125.5 | 171.5 | -171.5 | 69 | 45.5 | 0 | 0 | 109.2 | N675 V676 | N675-Q685 PolarHBondContact O-NE2 3.16Å; V676-Q685 VanDerWaalsContact CG2-OE1 3.27Å |
| 686 | L | 84.5 | Confident | 80.2 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 14% | 0.141 | 34% | 0.335 | C | S | . | . | trans | -81.1 | 141.1 | 175.5 | -58 | 178.5 | 0 | 0 | 0 | 110.2 | V672 N675 L677 I684 L744 | V672-L686 HydrophobicContact CB-CD1 4.38Å; V672-L686 HydrophobicContact CG1-CD1 3.44Å; V672-L686 VanDerWaalsContact CG1-CD1 3.44Å; V672-L686 HydrophobicContact CG2-CD1 4.01Å; N675-L686 WeakPolarHBondContact O-CA 3.5Å; N675-L686 VanDerWaalsContact O-CB 3.24Å; N675-L686 WeakPolarHBondContact O-CB 3.24Å; N675-L686 WeakPolarHBondContact O-CG 3.48Å; N675-L686 PolarHBondContact O-N 3.08Å; L677-L686 HydrophobicContact CB-CD1 4.14Å; L677-L686 HydrophobicContact CB-CD2 3.73Å; L677-L686 HydrophobicContact CB-CG 4Å; L677-L686 HydrophobicContact CD2-CD2 4.47Å; I684-L686 HydrophobicContact CG2-CD2 4.4Å; L686-L744 HydrophobicContact CD2-CD2 4.37Å; L686-L744 WeakPolarHBondContact CD2-O 3.25Å | ||
| 687 | E | 74.7 | Confident | 80.2 | Confident | 92 Ų | 92 | 66.2 Ų | 66.2 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | trans | -109.6 | 142.3 | 175.4 | -64.4 | 174.9 | 150.2 | 0 | 0 | 109.3 | S689 K746 K860 | E687-S689 PolarHBondContact O-N 3.11Å; E687-K746 IonicContact OE2-NZ 3.95Å; E687-K746 PolarHBondContact OE2-NZ 3.09Å; E687-K860 IonicContact OE1-NZ 2.76Å; E687-K860 PolarHBondContact OE1-NZ 2.95Å; E687-K860 IonicContact OE2-NZ 3.23Å; E687-K860 PolarHBondContact OE2-NZ 3.46Å | ||
| 688 | P | 67.7 | Low | 80.1 | Confident | 129 Ų | 129 | 68 Ų | 68 | 84% | 0.838 | 37% | 0.369 | S | S | * | . | trans | -63.1 | 126 | 175.9 | 24.8 | -31.4 | 0 | 0 | 0 | 110.8 | ||||
| 689 | S | 68.2 | Low | 79.8 | Confident | 24 Ų | 24 | 69.5 Ų | 69.5 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | trans | -85 | 141.9 | 174.5 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | E687 H692 I695 | E687-S689 PolarHBondContact O-N 3.11Å; S689-H692 PolarHBondContact O-NE2 3.2Å; S689-H692 PolarHBondContact OG-CE1 3.5Å; S689-H692 PolarHBondContact OG-ND1 3.36Å; S689-I695 VanDerWaalsContact OG-CD1 3.25Å; S689-I695 WeakPolarHBondContact OG-CD1 3.5Å | ||
| 690 | S | 62.7 | Low | 79.6 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 46% | 0.462 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -76.8 | -32.6 | 170.6 | 44.5 | 0 | 0 | 0 | 0 | 113.5 | Y803 | S690-Y803 VanDerWaalsContact OG-CD1 3.29Å; S690-Y803 WeakPolarHBondContact OG-CD1 3.44Å; S690-Y803 WeakPolarHBondContact OG-CE1 3.15Å |
| 691 | D | 72.5 | Confident | 79.6 | Confident | 41 Ų | 41 | 73.3 Ų | 73.3 | 22% | 0.219 | 39% | 0.393 | C | S | . | . | trans | -107.7 | 71.3 | -170.3 | -74.5 | -25.1 | 0 | 0 | 0 | 112.8 | A693 L694 P747 H805 | D691-A693 PolarHBondContact O-N 3.39Å; D691-A693 VanDerWaalsContact O-N 3.16Å; D691-L694 HydrophobicContact CB-CD1 4.17Å; D691-L694 PolarHBondContact O-N 2.89Å; D691-L694 VanDerWaalsContact O-N 3.15Å; D691-P747 HydrophobicContact CB-CB 4.39Å; D691-H805 IonicContact OD2-CE1 2.76Å; D691-H805 PolarHBondContact OD2-CE1 3.45Å; D691-H805 IonicContact OD2-NE2 2.73Å | ||
| 692 | H | 74.2 | Confident | 79.5 | Confident | 137 Ų | 137 | 69 Ų | 69 | 63% | 0.634 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -58.1 | -28.1 | 178.9 | -69.1 | -66.8 | 0 | 0 | 0 | 114.1 | S689 L694 I695 | S689-H692 PolarHBondContact O-NE2 3.2Å; S689-H692 PolarHBondContact OG-CE1 3.5Å; S689-H692 PolarHBondContact OG-ND1 3.36Å; H692-L694 PolarHBondContact O-N 2.97Å; H692-I695 PolarHBondContact O-N 3.19Å |
| 693 | A | 79.5 | Confident | 79.4 | Confident | 104 Ų | 104 | 69.1 Ų | 69.1 | 86% | 0.86 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -67.5 | -22.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D691 | D691-A693 PolarHBondContact O-N 3.39Å; D691-A693 VanDerWaalsContact O-N 3.16Å |
| 694 | L | 81.8 | Confident | 79 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 29% | 0.288 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -93.1 | -3.3 | 178.2 | -67.1 | 175.1 | 0 | 0 | 0 | 112.5 | D691 H692 P747 R748 | D691-L694 HydrophobicContact CB-CD1 4.17Å; D691-L694 PolarHBondContact O-N 2.89Å; D691-L694 VanDerWaalsContact O-N 3.15Å; H692-L694 PolarHBondContact O-N 2.97Å; L694-P747 HydrophobicContact CB-CB 3.57Å; L694-P747 HydrophobicContact CD1-CB 4.4Å; L694-R748 PolarHBondContact O-N 2.79Å |
| 695 | I | 85.4 | Confident | 78.7 | Confident | 33 Ų | 33 | 63 Ų | 63 | 17% | 0.169 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -79.2 | 126.3 | 174.2 | -60.9 | 178 | 0 | 0 | 0 | 107.9 | S689 H692 D697 G745 | S689-I695 VanDerWaalsContact OG-CD1 3.25Å; S689-I695 WeakPolarHBondContact OG-CD1 3.5Å; H692-I695 PolarHBondContact O-N 3.19Å; I695-D697 PolarHBondContact O-N 3.38Å; I695-G745 WeakPolarHBondContact CD1-O 3.42Å |
| 696 | P | 86.7 | Confident | 78.7 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | trans | -62.1 | 129.3 | 176.8 | -17.5 | 30.6 | 0 | 0 | 0 | 110.4 | D738 L741 Q742 R748 | P696-D738 HydrophobicContact CB-CB 4Å; P696-D738 HydrophobicContact CG-CB 4.49Å; P696-L741 HydrophobicContact CG-CB 4.05Å; P696-Q742 VanDerWaalsContact O-CB 3.24Å; P696-Q742 WeakPolarHBondContact O-CB 3.46Å; P696-Q742 VanDerWaalsContact O-CG 3.22Å; P696-Q742 WeakPolarHBondContact O-CG 3.38Å; P696-R748 HydrophobicContact CG-CG 3.88Å | ||
| 697 | D | 86.7 | Confident | 78.7 | Confident | 144 Ų | 144 | 56.3 Ų | 56.3 | 77% | 0.77 | 32% | 0.32 | S | S | * | . | trans | -114.5 | 96.8 | 167.6 | -171.4 | 24 | 0 | 0 | 0 | 109.2 | I695 Q742 | I695-D697 PolarHBondContact O-N 3.38Å; D697-Q742 PolarHBondContact OD1-NE2 2.81Å | ||
| 698 | I | 86.6 | Confident | 79 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 20% | 0.195 | 32% | 0.321 | C | S | . | . | trans | -117.1 | 146.6 | -175.3 | 62 | 150.7 | 0 | 0 | 0 | 111.7 | F700 K735 D738 R739 | I698-F700 HydrophobicContact CD1-CB 4.02Å; I698-F700 HydrophobicContact CD1-CD2 3.98Å; I698-F700 HydrophobicContact CD1-CG 4.44Å; I698-F700 HydrophobicContact CG1-CB 4.36Å; I698-F700 PolarHBondContact O-N 2.89Å; I698-K735 HydrophobicContact CD1-CB 4.32Å; I698-K735 VanDerWaalsContact CD1-O 3.28Å; I698-K735 WeakPolarHBondContact CD1-O 3.48Å; I698-D738 HydrophobicContact CD1-CB 3.57Å; I698-D738 HydrophobicContact CG1-CB 3.97Å; I698-D738 HydrophobicContact CG2-CB 3.97Å; I698-R739 HydrophobicContact CD1-CB 4.07Å | ||
| 699 | V | 82.2 | Confident | 79.8 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | trans | -74.9 | 107.6 | 166.5 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | Y701 | V699-Y701 HydrophobicContact CG1-CE1 4.46Å; V699-Y701 HydrophobicContact CG1-CE2 4.45Å | ||
| 700 | F | 81.4 | Confident | 80.8 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 10% | 0.096 | 28% | 0.278 | C | S | . | . | trans | -128.4 | 134.5 | 179.6 | -167.3 | -87.9 | 0 | 0 | 0 | 110.4 | I698 D702 H706 M710 K735 I736 R739 | I698-F700 HydrophobicContact CD1-CB 4.02Å; I698-F700 HydrophobicContact CD1-CD2 3.98Å; I698-F700 HydrophobicContact CD1-CG 4.44Å; I698-F700 HydrophobicContact CG1-CB 4.36Å; I698-F700 PolarHBondContact O-N 2.89Å; F700-D702 VanDerWaalsContact CD1-OD1 3.3Å; F700-D702 WeakPolarHBondContact CD1-OD1 3.36Å; F700-D702 WeakPolarHBondContact CE1-OD1 3.11Å; F700-H706 HydrophobicContact CZ-CB 3.99Å; F700-H706 AromaticContact CZ-ND1 3.8Å; F700-M710 HydrophobicContact CE1-CE 4.05Å; F700-M710 HydrophobicContact CZ-CE 4.37Å; F700-K735 HydrophobicContact CD2-CB 4.06Å; F700-K735 HydrophobicContact CE2-CB 4.05Å; F700-I736 HydrophobicContact CE2-CG1 4.33Å; F700-I736 HydrophobicContact CZ-CG1 4.42Å; F700-R739 HydrophobicContact CB-CB 4.26Å; F700-R739 HydrophobicContact CB-CG 4.09Å; F700-R739 HydrophobicContact CD1-CB 4.17Å; F700-R739 HydrophobicContact CD1-CG 3.56Å; F700-R739 HydrophobicContact CD2-CB 3.71Å; F700-R739 HydrophobicContact CD2-CG 4.07Å; F700-R739 HydrophobicContact CE1-CB 4.43Å; F700-R739 HydrophobicContact CE1-CG 3.91Å; F700-R739 HydrophobicContact CE2-CB 4.02Å; F700-R739 HydrophobicContact CE2-CG 4.39Å; F700-R739 HydrophobicContact CG-CB 3.79Å; F700-R739 HydrophobicContact CG-CG 3.64Å; F700-R739 HydrophobicContact CZ-CB 4.36Å; F700-R739 HydrophobicContact CZ-CG 4.31Å | ||
| 701 | Y | 80.3 | Confident | 82 | Confident | 70 Ų | 70 | 49 Ų | 49 | 28% | 0.275 | 26% | 0.26 | S | S | . | . | trans | -110.1 | 120.9 | 176.2 | -67.9 | -43.1 | 0 | 0 | 0 | 108.3 | V699 S703 Q906 Y907 | V699-Y701 HydrophobicContact CG1-CE1 4.46Å; V699-Y701 HydrophobicContact CG1-CE2 4.45Å; Y701-S703 PolarHBondContact O-N 3.12Å; Y701-Q906 HydrophobicContact CD1-CB 3.72Å; Y701-Q906 HydrophobicContact CD1-CG 4.4Å; Y701-Q906 HydrophobicContact CD2-CB 3.6Å; Y701-Q906 HydrophobicContact CE1-CB 4.02Å; Y701-Q906 HydrophobicContact CE2-CB 3.92Å; Y701-Q906 HydrophobicContact CG-CB 3.53Å; Y701-Q906 HydrophobicContact CG-CG 4.39Å; Y701-Y907 AromaticContact CD2-CD1 3.82Å; Y701-Y907 HydrophobicContact CD2-CD1 3.82Å; Y701-Y907 AromaticContact CD2-CD2 3.54Å; Y701-Y907 HydrophobicContact CD2-CD2 3.54Å; Y701-Y907 AromaticContact CD2-CE1 3.61Å; Y701-Y907 HydrophobicContact CD2-CE1 3.61Å; Y701-Y907 AromaticContact CD2-CE2 3.39Å; Y701-Y907 HydrophobicContact CD2-CE2 3.39Å; Y701-Y907 AromaticContact CD2-CG 3.73Å; Y701-Y907 HydrophobicContact CD2-CG 3.73Å; Y701-Y907 AromaticContact CD2-CZ 3.41Å; Y701-Y907 VanDerWaalsContact CD2-CZ 3.41Å; Y701-Y907 AromaticContact CE2-CD1 3.29Å; Y701-Y907 HydrophobicContact CE2-CD1 3.29Å; Y701-Y907 AromaticContact CE2-CD2 3.88Å; Y701-Y907 HydrophobicContact CE2-CD2 3.88Å; Y701-Y907 AromaticContact CE2-CE1 3.3Å; Y701-Y907 HydrophobicContact CE2-CE1 3.3Å; Y701-Y907 AromaticContact CE2-CE2 3.96Å; Y701-Y907 HydrophobicContact CE2-CE2 3.96Å; Y701-Y907 AromaticContact CE2-CG 3.54Å; Y701-Y907 HydrophobicContact CE2-CG 3.54Å; Y701-Y907 AromaticContact CE2-CZ 3.66Å; Y701-Y907 HydrophobicContact CG-CE2 4.46Å | ||
| 702 | D | 76.2 | Confident | 82.4 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | trans | -71 | 112 | -172.6 | -69.3 | -27.8 | 0 | 0 | 0 | 109.8 | F700 V707 R739 | F700-D702 VanDerWaalsContact CD1-OD1 3.3Å; F700-D702 WeakPolarHBondContact CD1-OD1 3.36Å; F700-D702 WeakPolarHBondContact CE1-OD1 3.11Å; D702-V707 HydrophobicContact CB-CG2 3.86Å; D702-R739 IonicContact OD1-NE 2.75Å; D702-R739 IonicContact OD1-NH2 3.75Å; D702-R739 IonicContact OD2-NH2 2.69Å | ||
| 703 | S | 79.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | trans | -98.1 | 143.1 | 170 | 73.9 | 0 | 0 | 0 | 0 | 110 | Y701 Q705 H706 V707 | Y701-S703 PolarHBondContact O-N 3.12Å; S703-Q705 PolarHBondContact O-N 2.78Å; S703-Q705 VanDerWaalsContact O-N 3.14Å; S703-H706 PolarHBondContact O-N 3.25Å; S703-H706 VanDerWaalsContact O-N 3.08Å; S703-H706 VanDerWaalsContact OG-CB 3.26Å; S703-H706 WeakPolarHBondContact OG-CB 3.33Å; S703-H706 PolarHBondContact OG-N 2.83Å; S703-H706 PolarHBondContact OG-ND1 2.9Å; S703-H706 VanDerWaalsContact OG-ND1 3.11Å; S703-V707 WeakPolarHBondContact O-CG2 3.07Å; S703-V707 PolarHBondContact O-N 3.05Å | ||
| 704 | P | 76.8 | Confident | 83.6 | Confident | 36 Ų | 36 | 37.3 Ų | 37.3 | 23% | 0.234 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.2 | -39.2 | -179.3 | -27.5 | 34.4 | 0 | 0 | 0 | 113.8 | R708 E902 | P704-R708 WeakPolarHBondContact O-CG 3.48Å; P704-R708 PolarHBondContact O-N 2.89Å; P704-R708 VanDerWaalsContact O-N 3.17Å; P704-E902 VanDerWaalsContact CD-OE2 3.26Å; P704-E902 WeakPolarHBondContact CD-OE2 3.5Å; P704-E902 WeakPolarHBondContact CG-OE2 3.24Å |
| 705 | Q | 79.4 | Confident | 83.7 | Confident | 31 Ų | 31 | 35.6 Ų | 35.6 | 15% | 0.145 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.7 | -49.6 | 176.7 | -179.2 | 172.1 | -15.4 | 0 | 0 | 112.6 | S703 V707 R708 I709 D893 N894 P895 | S703-Q705 PolarHBondContact O-N 2.78Å; S703-Q705 VanDerWaalsContact O-N 3.14Å; Q705-V707 VanDerWaalsContact C-N 3.35Å; Q705-V707 PolarHBondContact O-N 3.15Å; Q705-R708 PolarHBondContact O-N 2.9Å; Q705-I709 HydrophobicContact CG-CD1 4.32Å; Q705-I709 WeakPolarHBondContact O-CG1 3.46Å; Q705-I709 PolarHBondContact O-N 2.89Å; Q705-I709 VanDerWaalsContact O-N 3.14Å; Q705-D893 PolarHBondContact NE2-O 3.42Å; Q705-N894 PolarHBondContact NE2-O 3.46Å; Q705-P895 VanDerWaalsContact OE1-CA 3.25Å |
| 706 | H | 84.7 | Confident | 83.6 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.8 | -37.3 | 178.4 | -63.6 | 162.3 | 0 | 0 | 0 | 112.6 | F700 S703 R708 I709 M710 I736 | F700-H706 HydrophobicContact CZ-CB 3.99Å; F700-H706 AromaticContact CZ-ND1 3.8Å; S703-H706 PolarHBondContact O-N 3.25Å; S703-H706 VanDerWaalsContact O-N 3.08Å; S703-H706 VanDerWaalsContact OG-CB 3.26Å; S703-H706 WeakPolarHBondContact OG-CB 3.33Å; S703-H706 PolarHBondContact OG-N 2.83Å; S703-H706 PolarHBondContact OG-ND1 2.9Å; S703-H706 VanDerWaalsContact OG-ND1 3.11Å; H706-R708 VanDerWaalsContact C-N 3.33Å; H706-R708 PolarHBondContact O-N 2.84Å; H706-I709 PolarHBondContact O-N 3.31Å; H706-M710 WeakPolarHBondContact O-CG 3.03Å; H706-M710 PolarHBondContact O-N 3.27Å; H706-I736 HydrophobicContact CB-CG1 4.37Å |
| 707 | V | 84.6 | Confident | 83.6 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 178.3 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | V668 A670 I679 D702 S703 Q705 M710 E711 | V668-V707 HydrophobicContact CB-CG1 4.09Å; V668-V707 HydrophobicContact CG1-CG1 3.66Å; V668-V707 WeakPolarHBondContact O-CG1 3.42Å; A670-V707 HydrophobicContact CB-CG1 4.44Å; I679-V707 HydrophobicContact CG2-CG1 3.83Å; D702-V707 HydrophobicContact CB-CG2 3.86Å; S703-V707 WeakPolarHBondContact O-CG2 3.07Å; S703-V707 PolarHBondContact O-N 3.05Å; Q705-V707 VanDerWaalsContact C-N 3.35Å; Q705-V707 PolarHBondContact O-N 3.15Å; V707-M710 HydrophobicContact CB-CE 4.44Å; V707-M710 HydrophobicContact CG2-CE 4.03Å; V707-M710 PolarHBondContact O-N 2.99Å; V707-E711 PolarHBondContact O-N 2.75Å |
| 708 | R | 81.5 | Confident | 83.5 | Confident | 124 Ų | 124 | 30.8 Ų | 30.8 | 47% | 0.468 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 172 | -74.2 | 174.7 | -179.8 | 165.1 | 3.7 | 112.5 | V668 P704 Q705 H706 E711 D712 | V668-R708 HydrophobicContact CG2-CG 4.24Å; P704-R708 WeakPolarHBondContact O-CG 3.48Å; P704-R708 PolarHBondContact O-N 2.89Å; P704-R708 VanDerWaalsContact O-N 3.17Å; Q705-R708 PolarHBondContact O-N 2.9Å; H706-R708 VanDerWaalsContact C-N 3.33Å; H706-R708 PolarHBondContact O-N 2.84Å; R708-E711 WeakPolarHBondContact O-CB 3.12Å; R708-E711 PolarHBondContact O-N 2.85Å; R708-D712 PolarHBondContact O-N 2.89Å; R708-D712 VanDerWaalsContact O-N 3.07Å |
| 709 | I | 84.6 | Confident | 83.1 | Confident | 17 Ų | 17 | 30.9 Ų | 30.9 | 9% | 0.087 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 176 | -64.8 | 168.2 | 0 | 0 | 0 | 110.1 | Q705 H706 E711 D712 M713 H890 I892 | Q705-I709 HydrophobicContact CG-CD1 4.32Å; Q705-I709 WeakPolarHBondContact O-CG1 3.46Å; Q705-I709 PolarHBondContact O-N 2.89Å; Q705-I709 VanDerWaalsContact O-N 3.14Å; H706-I709 PolarHBondContact O-N 3.31Å; I709-E711 VanDerWaalsContact C-N 3.32Å; I709-E711 PolarHBondContact O-N 3.48Å; I709-D712 PolarHBondContact O-N 2.96Å; I709-M713 HydrophobicContact CG2-CG 4.38Å; I709-M713 HydrophobicContact CG2-SD 4.03Å; I709-M713 VanDerWaalsContact O-CG 3.28Å; I709-M713 WeakPolarHBondContact O-CG 3.09Å; I709-M713 PolarHBondContact O-N 3.33Å; I709-H890 HydrophobicContact CG2-CB 4.38Å; I709-I892 HydrophobicContact CD1-CG1 4.26Å; I709-I892 HydrophobicContact CD1-CG2 4.42Å |
| 710 | M | 89.7 | Confident | 83 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.9 | -33.1 | 176 | -71.3 | -172.1 | -67.8 | 0 | 0 | 112.9 | I679 F700 H706 V707 M713 L714 I736 R739 F740 L743 | I679-M710 HydrophobicContact CD1-CB 4.2Å; I679-M710 HydrophobicContact CG2-CB 4.42Å; F700-M710 HydrophobicContact CE1-CE 4.05Å; F700-M710 HydrophobicContact CZ-CE 4.37Å; H706-M710 WeakPolarHBondContact O-CG 3.03Å; H706-M710 PolarHBondContact O-N 3.27Å; V707-M710 HydrophobicContact CB-CE 4.44Å; V707-M710 HydrophobicContact CG2-CE 4.03Å; V707-M710 PolarHBondContact O-N 2.99Å; M710-M713 HydrophobicContact CG-SD 4.48Å; M710-M713 PolarHBondContact O-N 2.85Å; M710-L714 WeakPolarHBondContact O-CB 3.47Å; M710-L714 PolarHBondContact O-N 3.46Å; M710-I736 HydrophobicContact CG-CG2 3.94Å; M710-R739 HydrophobicContact CE-CG 4.18Å; M710-R739 HydrophobicContact SD-CB 4.13Å; M710-R739 HydrophobicContact SD-CG 3.72Å; M710-F740 HydrophobicContact CB-CD2 4.43Å; M710-L743 HydrophobicContact SD-CD1 4.28Å |
| 711 | E | 86.5 | Confident | 83 | Confident | 18 Ų | 18 | 29 Ų | 29 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.1 | -46 | 171.6 | 177.4 | 177.4 | -170.3 | 0 | 0 | 110.7 | I679 N681 A682 V707 R708 I709 L714 K715 | I679-E711 HydrophobicContact CG2-CB 3.85Å; I679-E711 WeakPolarHBondContact O-CG 3.39Å; N681-E711 PolarHBondContact N-OE1 3.01Å; A682-E711 HydrophobicContact CB-CG 4.39Å; V707-E711 PolarHBondContact O-N 2.75Å; R708-E711 WeakPolarHBondContact O-CB 3.12Å; R708-E711 PolarHBondContact O-N 2.85Å; I709-E711 VanDerWaalsContact C-N 3.32Å; I709-E711 PolarHBondContact O-N 3.48Å; E711-L714 WeakPolarHBondContact O-CB 3.4Å; E711-L714 PolarHBondContact O-N 2.79Å; E711-K715 WeakPolarHBondContact O-CG 3.03Å; E711-K715 PolarHBondContact O-N 2.91Å; E711-K715 VanDerWaalsContact O-N 3.08Å; E711-K715 IonicContact OE1-NZ 3.61Å |
| 712 | D | 82.2 | Confident | 83.4 | Confident | 36 Ų | 36 | 26.9 Ų | 26.9 | 19% | 0.193 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 177.6 | -71.5 | -17.3 | 0 | 0 | 0 | 111.8 | R708 I709 L714 K715 D716 | R708-D712 PolarHBondContact O-N 2.89Å; R708-D712 VanDerWaalsContact O-N 3.07Å; I709-D712 PolarHBondContact O-N 2.96Å; D712-L714 VanDerWaalsContact C-N 3.27Å; D712-L714 PolarHBondContact O-N 2.91Å; D712-K715 WeakPolarHBondContact O-CB 3.29Å; D712-K715 PolarHBondContact O-N 3.42Å; D712-K715 IonicContact OD1-NZ 3.71Å; D712-K715 PolarHBondContact OD1-NZ 2.8Å; D712-D716 PolarHBondContact O-N 2.88Å; D712-D716 VanDerWaalsContact O-N 3.14Å |
| 713 | M | 88.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.8 | -40.5 | 171.4 | -70.1 | 169.1 | 65.9 | 0 | 0 | 111.5 | I709 M710 D716 Y717 L723 L725 I736 F740 | I709-M713 HydrophobicContact CG2-CG 4.38Å; I709-M713 HydrophobicContact CG2-SD 4.03Å; I709-M713 VanDerWaalsContact O-CG 3.28Å; I709-M713 WeakPolarHBondContact O-CG 3.09Å; I709-M713 PolarHBondContact O-N 3.33Å; M710-M713 HydrophobicContact CG-SD 4.48Å; M710-M713 PolarHBondContact O-N 2.85Å; M713-D716 PolarHBondContact O-N 3.13Å; M713-Y717 WeakPolarHBondContact O-CB 3.22Å; M713-Y717 PolarHBondContact O-N 3.44Å; M713-L723 HydrophobicContact CB-CD1 4.1Å; M713-L723 HydrophobicContact CE-CD1 3.91Å; M713-L723 HydrophobicContact CG-CD1 4.32Å; M713-L725 HydrophobicContact CE-CD1 4.01Å; M713-L725 HydrophobicContact CE-CD2 4.14Å; M713-L725 HydrophobicContact CG-CD2 4.18Å; M713-L725 HydrophobicContact SD-CD1 4.28Å; M713-L725 HydrophobicContact SD-CD2 3.81Å; M713-I736 HydrophobicContact CE-CG2 4.37Å; M713-I736 HydrophobicContact SD-CG2 3.68Å; M713-F740 HydrophobicContact CB-CD2 4.22Å; M713-F740 HydrophobicContact CB-CE2 3.88Å; M713-F740 HydrophobicContact CB-CZ 4.06Å; M713-F740 HydrophobicContact CE-CB 3.91Å; M713-F740 HydrophobicContact CE-CD1 3.76Å; M713-F740 HydrophobicContact CE-CD2 4.24Å; M713-F740 HydrophobicContact CE-CE1 4.31Å; M713-F740 HydrophobicContact CE-CG 3.71Å |
| 714 | L | 89.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.7 | -41.2 | 178.5 | -175 | 56.6 | 0 | 0 | 0 | 111.6 | L677 I679 A682 I684 M710 E711 D712 D716 Y717 I718 F740 L744 | L677-L714 HydrophobicContact CD2-CD1 4.47Å; L677-L714 HydrophobicContact CD2-CD2 4.44Å; I679-L714 HydrophobicContact CB-CD2 4Å; I679-L714 HydrophobicContact CD1-CB 4.5Å; I679-L714 HydrophobicContact CD1-CD2 4.05Å; I679-L714 HydrophobicContact CG1-CD2 3.89Å; A682-L714 HydrophobicContact CB-CB 4.23Å; A682-L714 HydrophobicContact CB-CD2 3.73Å; A682-L714 HydrophobicContact CB-CG 3.97Å; I684-L714 HydrophobicContact CB-CD1 4.27Å; I684-L714 HydrophobicContact CG2-CD1 3.78Å; M710-L714 WeakPolarHBondContact O-CB 3.47Å; M710-L714 PolarHBondContact O-N 3.46Å; E711-L714 WeakPolarHBondContact O-CB 3.4Å; E711-L714 PolarHBondContact O-N 2.79Å; D712-L714 VanDerWaalsContact C-N 3.27Å; D712-L714 PolarHBondContact O-N 2.91Å; L714-D716 VanDerWaalsContact C-N 3.34Å; L714-D716 PolarHBondContact O-N 2.9Å; L714-Y717 PolarHBondContact O-N 3.48Å; L714-I718 HydrophobicContact CD1-CD1 4.26Å; L714-I718 HydrophobicContact CD1-CG1 4.37Å; L714-I718 HydrophobicContact CG-CD1 4Å; L714-I718 WeakPolarHBondContact O-CD1 3.25Å; L714-I718 WeakPolarHBondContact O-CG1 3.22Å; L714-I718 PolarHBondContact O-N 3.1Å; L714-F740 HydrophobicContact CB-CE2 3.95Å; L714-F740 HydrophobicContact CD1-CE2 4.28Å; L714-F740 HydrophobicContact CD1-CZ 4.44Å; L714-L744 HydrophobicContact CD1-CD2 4.06Å |
| 715 | K | 84 | Confident | 85.2 | Confident | 19 Ų | 19 | 22.9 Ų | 22.9 | 8% | 0.083 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 176.8 | -66.8 | 169.4 | -167.4 | 151 | 0 | 111.6 | Q610 F614 A682 E711 D712 L719 | Q610-K715 HydrophobicContact CG-CB 4.3Å; Q610-K715 VanDerWaalsContact NE2-CB 3.3Å; F614-K715 HydrophobicContact CD1-CG 4.07Å; F614-K715 HydrophobicContact CD2-CB 3.97Å; F614-K715 HydrophobicContact CD2-CD 4.19Å; F614-K715 HydrophobicContact CD2-CG 3.83Å; F614-K715 HydrophobicContact CE1-CB 4.48Å; F614-K715 HydrophobicContact CE1-CG 3.88Å; F614-K715 HydrophobicContact CE2-CB 3.46Å; F614-K715 VanDerWaalsContact CE2-CB 3.46Å; F614-K715 HydrophobicContact CE2-CD 4.46Å; F614-K715 HydrophobicContact CE2-CG 3.64Å; F614-K715 HydrophobicContact CG-CD 4.27Å; F614-K715 HydrophobicContact CG-CG 4.05Å; F614-K715 HydrophobicContact CZ-CB 3.77Å; F614-K715 HydrophobicContact CZ-CG 3.67Å; A682-K715 HydrophobicContact CB-CG 4.03Å; E711-K715 WeakPolarHBondContact O-CG 3.03Å; E711-K715 PolarHBondContact O-N 2.91Å; E711-K715 VanDerWaalsContact O-N 3.08Å; E711-K715 IonicContact OE1-NZ 3.61Å; D712-K715 WeakPolarHBondContact O-CB 3.29Å; D712-K715 PolarHBondContact O-N 3.42Å; D712-K715 IonicContact OD1-NZ 3.71Å; D712-K715 PolarHBondContact OD1-NZ 2.8Å; K715-L719 PolarHBondContact O-N 3.05Å |
| 716 | D | 83.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -71.6 | -37 | 179.2 | -73.8 | -50.1 | 0 | 0 | 0 | 112.6 | R606 D712 M713 L714 I718 L719 G720 E721 L723 A888 H890 | R606-D716 IonicContact CZ-OD1 3.62Å; R606-D716 VanDerWaalsContact CZ-OD1 3.27Å; R606-D716 IonicContact CZ-OD2 3.2Å; R606-D716 IonicContact NE-OD1 2.82Å; R606-D716 PolarHBondContact NE-OD1 2.95Å; R606-D716 IonicContact NH2-OD1 3.64Å; R606-D716 PolarHBondContact NH2-OD1 3.38Å; R606-D716 IonicContact NH2-OD2 3.73Å; R606-D716 PolarHBondContact NH2-OD2 3.38Å; D712-D716 PolarHBondContact O-N 2.88Å; D712-D716 VanDerWaalsContact O-N 3.14Å; M713-D716 PolarHBondContact O-N 3.13Å; L714-D716 VanDerWaalsContact C-N 3.34Å; L714-D716 PolarHBondContact O-N 2.9Å; D716-I718 VanDerWaalsContact C-N 3.33Å; D716-I718 PolarHBondContact O-N 2.93Å; D716-L719 WeakPolarHBondContact O-CB 3.46Å; D716-L719 PolarHBondContact O-N 3.28Å; D716-L719 VanDerWaalsContact O-N 3.17Å; D716-G720 PolarHBondContact O-N 3.01Å; D716-E721 HydrophobicContact CB-CB 4.48Å; D716-E721 WeakPolarHBondContact O-CB 3.49Å; D716-E721 PolarHBondContact O-N 3.27Å; D716-L723 HydrophobicContact CB-CD2 3.83Å; D716-A888 HydrophobicContact CB-CB 3.9Å; D716-H890 IonicContact OD2-CE1 3.31Å; D716-H890 PolarHBondContact OD2-CE1 3.27Å; D716-H890 IonicContact OD2-NE2 3.28Å; D716-H890 PolarHBondContact OD2-NE2 2.94Å |
| 717 | Y | 87.1 | Confident | 85.2 | Confident | 25 Ų | 25 | 21.2 Ų | 21.2 | 10% | 0.098 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.3 | -39.8 | 174.2 | -174.4 | -89.9 | 0 | 0 | 0 | 112.2 | I684 M713 L714 L719 G720 F740 L744 V806 R862 | I684-Y717 HydrophobicContact CD1-CD1 4.22Å; I684-Y717 HydrophobicContact CD1-CE1 4.26Å; M713-Y717 WeakPolarHBondContact O-CB 3.22Å; M713-Y717 PolarHBondContact O-N 3.44Å; L714-Y717 PolarHBondContact O-N 3.48Å; Y717-L719 VanDerWaalsContact C-N 3.29Å; Y717-L719 PolarHBondContact O-N 3.26Å; Y717-G720 WeakPolarHBondContact O-CA 3.14Å; Y717-G720 PolarHBondContact O-N 3.14Å; Y717-F740 HydrophobicContact CD2-CE1 4.04Å; Y717-F740 HydrophobicContact CD2-CZ 4.35Å; Y717-F740 HydrophobicContact CG-CE1 4.23Å; Y717-F740 HydrophobicContact CG-CZ 4.07Å; Y717-L744 HydrophobicContact CD1-CD1 4.18Å; Y717-L744 HydrophobicContact CD2-CD1 4.45Å; Y717-L744 HydrophobicContact CE1-CD1 4.01Å; Y717-L744 HydrophobicContact CE1-CD2 4.43Å; Y717-L744 HydrophobicContact CE2-CD1 4.27Å; Y717-L744 HydrophobicContact CG-CD1 4.4Å; Y717-V806 HydrophobicContact CE2-CG2 4.47Å; Y717-R862 HydrophobicContact CD2-CG 4.35Å; Y717-R862 HydrophobicContact CE2-CB 4.12Å; Y717-R862 HydrophobicContact CE2-CG 3.78Å |
| 718 | I | 84.6 | Confident | 84.8 | Confident | 58 Ų | 58 | 22.8 Ų | 22.8 | 30% | 0.297 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -62.9 | -35.6 | 175.1 | -70.3 | 162.5 | 0 | 0 | 0 | 111.5 | F614 I684 L714 D716 G720 | F614-I718 HydrophobicContact CE1-CD1 4.39Å; F614-I718 HydrophobicContact CZ-CB 4.48Å; F614-I718 HydrophobicContact CZ-CD1 3.98Å; F614-I718 HydrophobicContact CZ-CG2 4.5Å; I684-I718 HydrophobicContact CB-CD1 4.33Å; I684-I718 HydrophobicContact CB-CG1 4.37Å; I684-I718 HydrophobicContact CD1-CG1 3.95Å; I684-I718 HydrophobicContact CG1-CG1 4.36Å; L714-I718 HydrophobicContact CD1-CD1 4.26Å; L714-I718 HydrophobicContact CD1-CG1 4.37Å; L714-I718 HydrophobicContact CG-CD1 4Å; L714-I718 WeakPolarHBondContact O-CD1 3.25Å; L714-I718 WeakPolarHBondContact O-CG1 3.22Å; L714-I718 PolarHBondContact O-N 3.1Å; D716-I718 VanDerWaalsContact C-N 3.33Å; D716-I718 PolarHBondContact O-N 2.93Å; I718-G720 PolarHBondContact O-N 3.3Å |
| 719 | L | 78.4 | Confident | 84.5 | Confident | 41 Ų | 41 | 22.2 Ų | 22.2 | 22% | 0.215 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11 | 174.2 | -70.2 | 169.6 | 0 | 0 | 0 | 113.1 | R606 A609 Q610 L613 K715 D716 Y717 E721 | R606-L719 HydrophobicContact CG-CD1 4.44Å; A609-L719 HydrophobicContact CB-CD2 3.99Å; Q610-L719 HydrophobicContact CB-CD1 3.8Å; Q610-L719 HydrophobicContact CG-CD1 4.13Å; L613-L719 HydrophobicContact CD1-CD2 3.27Å; L613-L719 HydrophobicContact CD1-CG 4.42Å; K715-L719 PolarHBondContact O-N 3.05Å; D716-L719 WeakPolarHBondContact O-CB 3.46Å; D716-L719 PolarHBondContact O-N 3.28Å; D716-L719 VanDerWaalsContact O-N 3.17Å; Y717-L719 VanDerWaalsContact C-N 3.29Å; Y717-L719 PolarHBondContact O-N 3.26Å; L719-E721 HydrophobicContact CB-CG 3.93Å |
| 720 | G | 79.4 | Confident | 84.2 | Confident | 21 Ų | 21 | 22.9 Ų | 22.9 | 22% | 0.216 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 16.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D716 Y717 I718 R862 | D716-G720 PolarHBondContact O-N 3.01Å; Y717-G720 WeakPolarHBondContact O-CA 3.14Å; Y717-G720 PolarHBondContact O-N 3.14Å; I718-G720 PolarHBondContact O-N 3.3Å; G720-R862 VanDerWaalsContact C-NE 3.34Å; G720-R862 VanDerWaalsContact O-CZ 3.3Å; G720-R862 PolarHBondContact O-NE 2.76Å |
| 721 | E | 82.6 | Confident | 83.8 | Confident | 53 Ų | 53 | 23.1 Ų | 23.1 | 25% | 0.248 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -81.4 | 149.8 | -175.8 | -60.2 | -71.5 | 164.7 | 0 | 0 | 112.3 | R606 D716 L719 A888 | R606-E721 HydrophobicContact CG-CG 4.37Å; D716-E721 HydrophobicContact CB-CB 4.48Å; D716-E721 WeakPolarHBondContact O-CB 3.49Å; D716-E721 PolarHBondContact O-N 3.27Å; L719-E721 HydrophobicContact CB-CG 3.93Å; E721-A888 HydrophobicContact CB-CB 4.17Å |
| 722 | H | 88.1 | Confident | 83.6 | Confident | 25 Ų | 25 | 23.2 Ų | 23.2 | 12% | 0.116 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -80.5 | 141.9 | 167.3 | -57.5 | -81.2 | 0 | 0 | 0 | 109.4 | L827 M863 L887 A888 | H722-L827 HydrophobicContact CB-CD2 3.79Å; H722-L827 WeakPolarHBondContact CD2-CD2 3.28Å; H722-M863 CarbonylContact C-O 3.49Å; H722-M863 WeakPolarHBondContact CA-O 3.44Å; H722-M863 HydrophobicContact CB-CB 4.38Å; H722-M863 PolarHBondContact ND1-N 2.81Å; H722-M863 VanDerWaalsContact ND1-N 3.12Å; H722-L887 HydrophobicContact CB-CD2 3.55Å; H722-A888 VanDerWaalsContact O-CB 3.29Å; H722-A888 WeakPolarHBondContact O-CB 3.28Å; H722-A888 PolarHBondContact O-N 3.42Å |
| 723 | L | 90.8 | Very high | 83.9 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 150.2 | -171.5 | -50.9 | -179 | 0 | 0 | 0 | 112.2 | M713 D716 F740 M863 I864 F865 A888 | M713-L723 HydrophobicContact CB-CD1 4.1Å; M713-L723 HydrophobicContact CE-CD1 3.91Å; M713-L723 HydrophobicContact CG-CD1 4.32Å; D716-L723 HydrophobicContact CB-CD2 3.83Å; L723-F740 HydrophobicContact CD1-CE1 3.99Å; L723-M863 PolarHBondContact N-O 3.48Å; L723-I864 HydrophobicContact CB-CG1 4.23Å; L723-I864 HydrophobicContact CB-CG2 4.37Å; L723-I864 HydrophobicContact CD1-CD1 4.28Å; L723-I864 HydrophobicContact CD1-CG1 4.28Å; L723-I864 HydrophobicContact CG-CG1 4.48Å; L723-I864 CarbonylContact O-C 3.27Å; L723-I864 WeakPolarHBondContact O-CA 2.97Å; L723-F865 PolarHBondContact O-N 2.99Å; L723-A888 HydrophobicContact CD2-CB 3.62Å |
| 724 | L | 90 | Very high | 84 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 116.4 | 171.4 | 172.3 | 60.2 | 0 | 0 | 0 | 110.1 | M726 F865 A867 F879 F880 L887 A888 C889 H890 | L724-M726 HydrophobicContact CD1-CG 4.06Å; L724-M726 HydrophobicContact CD2-CE 3.31Å; L724-M726 HydrophobicContact CD2-CG 4.36Å; L724-M726 HydrophobicContact CD2-SD 3.92Å; L724-M726 HydrophobicContact CG-CE 3.71Å; L724-M726 HydrophobicContact CG-CG 4.12Å; L724-M726 HydrophobicContact CG-SD 4.33Å; L724-F865 CarbonylContact C-O 3.57Å; L724-F865 WeakPolarHBondContact CA-O 3.2Å; L724-F865 HydrophobicContact CB-CB 4.44Å; L724-F865 HydrophobicContact CD1-CB 3.56Å; L724-A867 HydrophobicContact CD1-CB 4.11Å; L724-F879 HydrophobicContact CD1-CE1 3.57Å; L724-F879 HydrophobicContact CD1-CZ 3.89Å; L724-F879 HydrophobicContact CD2-CE1 3.76Å; L724-F879 HydrophobicContact CD2-CZ 4.41Å; L724-F879 HydrophobicContact CG-CE1 4.35Å; L724-F880 HydrophobicContact CD2-CD2 4.09Å; L724-F880 HydrophobicContact CD2-CE2 4.32Å; L724-L887 HydrophobicContact CB-CB 3.72Å; L724-L887 HydrophobicContact CB-CD1 3.96Å; L724-L887 HydrophobicContact CB-CG 4.43Å; L724-L887 HydrophobicContact CD2-CB 4.4Å; L724-L887 HydrophobicContact CD2-CD1 4.15Å; L724-L887 HydrophobicContact CG-CD1 4.45Å; L724-A888 PolarHBondContact N-O 2.99Å; L724-C889 CarbonylContact O-C 3.51Å; L724-C889 WeakPolarHBondContact O-CA 3.39Å; L724-H890 PolarHBondContact O-N 2.98Å |
| 725 | L | 89.9 | Confident | 84 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 114.2 | 175 | -55.8 | -174 | 0 | 0 | 0 | 109.9 | M713 I736 A737 I864 F865 L866 A867 H890 I892 | M713-L725 HydrophobicContact CE-CD1 4.01Å; M713-L725 HydrophobicContact CE-CD2 4.14Å; M713-L725 HydrophobicContact CG-CD2 4.18Å; M713-L725 HydrophobicContact SD-CD1 4.28Å; M713-L725 HydrophobicContact SD-CD2 3.81Å; L725-I736 HydrophobicContact CD1-CG2 4.35Å; L725-A737 HydrophobicContact CD1-CB 4.11Å; L725-I864 HydrophobicContact CD1-CG2 4.43Å; L725-I864 HydrophobicContact CG-CG2 4.42Å; L725-F865 PolarHBondContact N-O 3.48Å; L725-L866 HydrophobicContact CB-CD2 3.73Å; L725-L866 HydrophobicContact CD1-CD2 3.71Å; L725-L866 HydrophobicContact CG-CD2 3.95Å; L725-A867 PolarHBondContact O-N 2.98Å; L725-A867 VanDerWaalsContact O-N 3.08Å; L725-H890 HydrophobicContact CD2-CB 3.77Å; L725-I892 HydrophobicContact CB-CD1 3.75Å; L725-I892 HydrophobicContact CD1-CD1 4.09Å; L725-I892 HydrophobicContact CD2-CD1 4.3Å; L725-I892 HydrophobicContact CG-CD1 4.27Å |
| 726 | M | 84 | Confident | 84.3 | Confident | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.02 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.7 | 179.3 | -85.9 | 177.2 | -63.8 | 0 | 0 | 112.3 | V629 L724 A867 F880 C889 H890 A891 I892 | V629-M726 HydrophobicContact CB-CE 3.95Å; V629-M726 HydrophobicContact CG1-CE 3.12Å; V629-M726 HydrophobicContact CG1-SD 3.73Å; V629-M726 HydrophobicContact CG2-CB 4.43Å; V629-M726 HydrophobicContact CG2-CE 3.52Å; L724-M726 HydrophobicContact CD1-CG 4.06Å; L724-M726 HydrophobicContact CD2-CE 3.31Å; L724-M726 HydrophobicContact CD2-CG 4.36Å; L724-M726 HydrophobicContact CD2-SD 3.92Å; L724-M726 HydrophobicContact CG-CE 3.71Å; L724-M726 HydrophobicContact CG-CG 4.12Å; L724-M726 HydrophobicContact CG-SD 4.33Å; M726-A867 WeakPolarHBondContact CA-O 3.46Å; M726-A867 HydrophobicContact CG-CB 3.87Å; M726-F880 HydrophobicContact CE-CD2 3.56Å; M726-F880 HydrophobicContact CE-CE2 3.57Å; M726-F880 HydrophobicContact SD-CD2 3.73Å; M726-F880 HydrophobicContact SD-CE2 4.34Å; M726-F880 HydrophobicContact SD-CG 4.48Å; M726-C889 HydrophobicContact CE-CB 4.22Å; M726-H890 PolarHBondContact N-O 2.77Å; M726-A891 CarbonylContact O-C 3.52Å; M726-A891 WeakPolarHBondContact O-CA 3.3Å; M726-I892 PolarHBondContact O-N 3.31Å |
| 727 | G | 79.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176 | 168.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K733 A867 N868 I892 | G727-K733 PolarHBondContact O-NZ 3.46Å; G727-A867 PolarHBondContact N-O 2.92Å; G727-N868 WeakPolarHBondContact O-CA 3.49Å; G727-I892 VanDerWaalsContact CA-O 3.26Å; G727-I892 WeakPolarHBondContact CA-O 3.48Å |
| 728 | N | 76.2 | Confident | 85 | Confident | 36 Ų | 36 | 27.5 Ų | 27.5 | 19% | 0.193 | 15% | 0.153 | C | C | . | . | trans | -61.6 | 163.8 | 176.4 | -68.7 | -4.8 | 0 | 0 | 0 | 111 | V731 R869 | N728-V731 HydrophobicContact CB-CG1 3.98Å; N728-V731 VanDerWaalsContact O-CG2 3.26Å; N728-V731 WeakPolarHBondContact O-CG2 3.22Å; N728-R869 WeakPolarHBondContact OD1-CD 3.22Å | ||
| 729 | Q | 76.7 | Confident | 85.3 | Confident | 112 Ų | 112 | 26.8 Ų | 26.8 | 52% | 0.523 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 140.8 | 176.1 | -70 | -175.1 | -9.5 | 0 | 0 | 110.6 | V731 N868 | Q729-V731 VanDerWaalsContact C-N 3.32Å; Q729-V731 PolarHBondContact O-N 2.96Å; Q729-N868 VanDerWaalsContact CG-OD1 3.23Å; Q729-N868 WeakPolarHBondContact CG-OD1 3.22Å |
| 730 | G | 78 | Confident | 86 | Confident | 31 Ų | 31 | 24.8 Ų | 24.8 | 32% | 0.32 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 5.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | G732 | G730-G732 PolarHBondContact O-N 3.23Š|
| 731 | V | 79.9 | Confident | 86.6 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.024 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -72.1 | -7.3 | 173 | -56.8 | 0 | 0 | 0 | 0 | 114.1 | N728 Q729 K733 I892 N894 | N728-V731 HydrophobicContact CB-CG1 3.98Å; N728-V731 VanDerWaalsContact O-CG2 3.26Å; N728-V731 WeakPolarHBondContact O-CG2 3.22Å; Q729-V731 VanDerWaalsContact C-N 3.32Å; Q729-V731 PolarHBondContact O-N 2.96Å; V731-K733 HydrophobicContact CG2-CD 4.23Å; V731-K733 HydrophobicContact CG2-CG 3.56Å; V731-I892 HydrophobicContact CB-CG2 3.99Å; V731-I892 HydrophobicContact CG2-CB 4Å; V731-I892 HydrophobicContact CG2-CG2 3.51Å; V731-N894 WeakPolarHBondContact CG1-OD1 3.29Å |
| 732 | G | 83.8 | Confident | 86.9 | Confident | 21 Ų | 21 | 23.2 Ų | 23.2 | 22% | 0.216 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 98.3 | 19.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116 | G730 N734 K735 I736 | G730-G732 PolarHBondContact O-N 3.23Å; G732-N734 PolarHBondContact O-N 3.25Å; G732-K735 WeakPolarHBondContact O-CA 3.07Å; G732-K735 WeakPolarHBondContact O-CB 3.22Å; G732-K735 PolarHBondContact O-N 2.92Å; G732-I736 WeakPolarHBondContact O-CG1 3.35Å; G732-I736 PolarHBondContact O-N 3.5Å |
| 733 | K | 88.4 | Confident | 87 | Confident | 17 Ų | 17 | 22.8 Ų | 22.8 | 7% | 0.074 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -48.6 | -52.9 | 179.1 | -51.1 | -176.1 | -73.9 | -165.7 | 0 | 113.3 | G727 V731 I736 A737 L866 A867 N868 I892 | G727-K733 PolarHBondContact O-NZ 3.46Å; V731-K733 HydrophobicContact CG2-CD 4.23Å; V731-K733 HydrophobicContact CG2-CG 3.56Å; K733-I736 PolarHBondContact O-N 3.15Å; K733-A737 PolarHBondContact O-N 3Å; K733-A737 VanDerWaalsContact O-N 3.08Å; K733-L866 HydrophobicContact CB-CD2 4.41Å; K733-A867 VanDerWaalsContact NZ-C 3.27Å; K733-A867 PolarHBondContact NZ-O 2.9Å; K733-N868 PolarHBondContact NZ-OD1 3.46Å; K733-I892 HydrophobicContact CB-CD1 4.1Å; K733-I892 HydrophobicContact CG-CD1 3.82Å |
| 734 | N | 89.6 | Confident | 86.9 | Confident | 58 Ų | 58 | 22.9 Ų | 22.9 | 31% | 0.31 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -56.1 | -52.6 | 173.8 | -86.8 | -41.3 | 0 | 0 | 0 | 111.2 | G732 I736 A737 D738 D810 L866 | G732-N734 PolarHBondContact O-N 3.25Å; N734-I736 VanDerWaalsContact C-N 3.29Å; N734-I736 PolarHBondContact O-N 3.43Å; N734-A737 PolarHBondContact O-N 3.24Å; N734-A737 VanDerWaalsContact O-N 3.14Å; N734-D738 WeakPolarHBondContact O-CB 3.24Å; N734-D738 PolarHBondContact O-N 3.46Å; N734-D810 PolarHBondContact ND2-OD2 3.31Å; N734-D810 PolarHBondContact OD1-OD2 3.22Å; N734-L866 HydrophobicContact CB-CD1 4.48Å; N734-L866 WeakPolarHBondContact OD1-CD1 3.48Å |
| 735 | K | 89.2 | Confident | 86.7 | Confident | 78 Ų | 78 | 23.9 Ų | 23.9 | 34% | 0.339 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -57.9 | -38.1 | 179.9 | -74.1 | -164.6 | 173.4 | -168.7 | 0 | 113.5 | I698 F700 G732 R739 Y907 | I698-K735 HydrophobicContact CD1-CB 4.32Å; I698-K735 VanDerWaalsContact CD1-O 3.28Å; I698-K735 WeakPolarHBondContact CD1-O 3.48Å; F700-K735 HydrophobicContact CD2-CB 4.06Å; F700-K735 HydrophobicContact CE2-CB 4.05Å; G732-K735 WeakPolarHBondContact O-CA 3.07Å; G732-K735 WeakPolarHBondContact O-CB 3.22Å; G732-K735 PolarHBondContact O-N 2.92Å; K735-R739 VanDerWaalsContact O-CB 3.23Å; K735-R739 WeakPolarHBondContact O-CB 3.49Å; K735-R739 PolarHBondContact O-N 2.89Å; K735-Y907 PolarHBondContact NZ-OH 2.87Å |
| 736 | I | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.5 | -45.8 | 178.1 | -68.3 | 161 | 0 | 0 | 0 | 110.3 | F700 H706 M710 M713 L725 G732 K733 N734 D738 R739 F740 I892 | F700-I736 HydrophobicContact CE2-CG1 4.33Å; F700-I736 HydrophobicContact CZ-CG1 4.42Å; H706-I736 HydrophobicContact CB-CG1 4.37Å; M710-I736 HydrophobicContact CG-CG2 3.94Å; M713-I736 HydrophobicContact CE-CG2 4.37Å; M713-I736 HydrophobicContact SD-CG2 3.68Å; L725-I736 HydrophobicContact CD1-CG2 4.35Å; G732-I736 WeakPolarHBondContact O-CG1 3.35Å; G732-I736 PolarHBondContact O-N 3.5Å; K733-I736 PolarHBondContact O-N 3.15Å; N734-I736 VanDerWaalsContact C-N 3.29Å; N734-I736 PolarHBondContact O-N 3.43Å; I736-D738 PolarHBondContact O-N 2.92Å; I736-R739 PolarHBondContact O-N 3.32Å; I736-F740 WeakPolarHBondContact O-CB 3.33Å; I736-F740 PolarHBondContact O-N 3.12Å; I736-I892 HydrophobicContact CD1-CD1 3.78Å; I736-I892 HydrophobicContact CD1-CG1 4.31Å; I736-I892 HydrophobicContact CD1-CG2 3.99Å |
| 737 | A | 92 | Very high | 86.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L725 K733 N734 F740 L741 I864 L866 | L725-A737 HydrophobicContact CD1-CB 4.11Å; K733-A737 PolarHBondContact O-N 3Å; K733-A737 VanDerWaalsContact O-N 3.08Å; N734-A737 PolarHBondContact O-N 3.24Å; N734-A737 VanDerWaalsContact O-N 3.14Å; A737-F740 WeakPolarHBondContact O-CB 3.43Å; A737-F740 PolarHBondContact O-N 3.37Å; A737-L741 VanDerWaalsContact O-CG 3.28Å; A737-L741 WeakPolarHBondContact O-CG 3.48Å; A737-L741 PolarHBondContact O-N 3.44Å; A737-I864 HydrophobicContact CB-CG2 4.17Å; A737-L866 HydrophobicContact CB-CD2 4.22Å |
| 738 | D | 92.8 | Very high | 86.9 | Confident | 17 Ų | 17 | 28.1 Ų | 28.1 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.1 | -46.7 | 179.2 | -66.7 | 23.3 | 0 | 0 | 0 | 111.5 | P696 I698 N734 I736 F740 L741 Q742 R748 | P696-D738 HydrophobicContact CB-CB 4Å; P696-D738 HydrophobicContact CG-CB 4.49Å; I698-D738 HydrophobicContact CD1-CB 3.57Å; I698-D738 HydrophobicContact CG1-CB 3.97Å; I698-D738 HydrophobicContact CG2-CB 3.97Å; N734-D738 WeakPolarHBondContact O-CB 3.24Å; N734-D738 PolarHBondContact O-N 3.46Å; I736-D738 PolarHBondContact O-N 2.92Å; D738-F740 VanDerWaalsContact C-N 3.33Å; D738-F740 PolarHBondContact O-N 3.4Å; D738-L741 PolarHBondContact O-N 2.95Å; D738-Q742 WeakPolarHBondContact O-CB 3.26Å; D738-Q742 PolarHBondContact O-N 2.85Å; D738-R748 VanDerWaalsContact CG-CZ 3.48Å; D738-R748 IonicContact OD1-CZ 3.57Å; D738-R748 VanDerWaalsContact OD1-CZ 3.29Å; D738-R748 IonicContact OD1-NH1 2.91Å; D738-R748 PolarHBondContact OD1-NH1 3.3Å; D738-R748 IonicContact OD1-NH2 3.42Å; D738-R748 PolarHBondContact OD1-NH2 2.91Å; D738-R748 IonicContact OD2-CZ 2.91Å; D738-R748 IonicContact OD2-NH1 2.76Å; D738-R748 PolarHBondContact OD2-NH1 3.09Å; D738-R748 IonicContact OD2-NH2 2.74Å; D738-R748 PolarHBondContact OD2-NH2 3.13Å |
| 739 | R | 91.5 | Very high | 87.4 | Confident | 43 Ų | 43 | 27.9 Ų | 27.9 | 16% | 0.162 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 177.4 | -179.8 | 57.7 | 165.3 | 175.3 | 2.3 | 111.1 | I698 F700 D702 M710 K735 I736 L741 Q742 L743 | I698-R739 HydrophobicContact CD1-CB 4.07Å; F700-R739 HydrophobicContact CB-CB 4.26Å; F700-R739 HydrophobicContact CB-CG 4.09Å; F700-R739 HydrophobicContact CD1-CB 4.17Å; F700-R739 HydrophobicContact CD1-CG 3.56Å; F700-R739 HydrophobicContact CD2-CB 3.71Å; F700-R739 HydrophobicContact CD2-CG 4.07Å; F700-R739 HydrophobicContact CE1-CB 4.43Å; F700-R739 HydrophobicContact CE1-CG 3.91Å; F700-R739 HydrophobicContact CE2-CB 4.02Å; F700-R739 HydrophobicContact CE2-CG 4.39Å; F700-R739 HydrophobicContact CG-CB 3.79Å; F700-R739 HydrophobicContact CG-CG 3.64Å; F700-R739 HydrophobicContact CZ-CB 4.36Å; F700-R739 HydrophobicContact CZ-CG 4.31Å; D702-R739 IonicContact OD1-NE 2.75Å; D702-R739 IonicContact OD1-NH2 3.75Å; D702-R739 IonicContact OD2-NH2 2.69Å; M710-R739 HydrophobicContact CE-CG 4.18Å; M710-R739 HydrophobicContact SD-CB 4.13Å; M710-R739 HydrophobicContact SD-CG 3.72Å; K735-R739 VanDerWaalsContact O-CB 3.23Å; K735-R739 WeakPolarHBondContact O-CB 3.49Å; K735-R739 PolarHBondContact O-N 2.89Å; I736-R739 PolarHBondContact O-N 3.32Å; R739-L741 VanDerWaalsContact C-N 3.3Å; R739-L741 PolarHBondContact O-N 3.46Å; R739-Q742 VanDerWaalsContact CD-OE1 3.28Å; R739-Q742 WeakPolarHBondContact O-CB 3.35Å; R739-Q742 PolarHBondContact O-N 3.22Å; R739-L743 HydrophobicContact CG-CD1 4.17Å; R739-L743 HydrophobicContact CG-CG 4.49Å; R739-L743 WeakPolarHBondContact O-CB 3.34Å; R739-L743 VanDerWaalsContact O-CG 3.3Å; R739-L743 WeakPolarHBondContact O-CG 3.44Å; R739-L743 PolarHBondContact O-N 3.26Å |
| 740 | F | 93 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.9 | -43.7 | 177.5 | -179.7 | -109.1 | 0 | 0 | 0 | 111.4 | M710 M713 L714 Y717 L723 I736 A737 D738 L743 L744 I864 | M710-F740 HydrophobicContact CB-CD2 4.43Å; M713-F740 HydrophobicContact CB-CD2 4.22Å; M713-F740 HydrophobicContact CB-CE2 3.88Å; M713-F740 HydrophobicContact CB-CZ 4.06Å; M713-F740 HydrophobicContact CE-CB 3.91Å; M713-F740 HydrophobicContact CE-CD1 3.76Å; M713-F740 HydrophobicContact CE-CD2 4.24Å; M713-F740 HydrophobicContact CE-CE1 4.31Å; M713-F740 HydrophobicContact CE-CG 3.71Å; L714-F740 HydrophobicContact CB-CE2 3.95Å; L714-F740 HydrophobicContact CD1-CE2 4.28Å; L714-F740 HydrophobicContact CD1-CZ 4.44Å; Y717-F740 HydrophobicContact CD2-CE1 4.04Å; Y717-F740 HydrophobicContact CD2-CZ 4.35Å; Y717-F740 HydrophobicContact CG-CE1 4.23Å; Y717-F740 HydrophobicContact CG-CZ 4.07Å; L723-F740 HydrophobicContact CD1-CE1 3.99Å; I736-F740 WeakPolarHBondContact O-CB 3.33Å; I736-F740 PolarHBondContact O-N 3.12Å; A737-F740 WeakPolarHBondContact O-CB 3.43Å; A737-F740 PolarHBondContact O-N 3.37Å; D738-F740 VanDerWaalsContact C-N 3.33Å; D738-F740 PolarHBondContact O-N 3.4Å; F740-L743 PolarHBondContact O-N 2.91Å; F740-L744 HydrophobicContact CD1-CD1 3.84Å; F740-L744 HydrophobicContact CE1-CD1 3.37Å; F740-L744 HydrophobicContact CE2-CD1 4.14Å; F740-L744 HydrophobicContact CG-CD1 4.41Å; F740-L744 HydrophobicContact CZ-CD1 3.55Å; F740-L744 HydrophobicContact CZ-CG 4.45Å; F740-L744 WeakPolarHBondContact O-CB 3.49Å; F740-L744 WeakPolarHBondContact O-CG 3.44Å; F740-L744 PolarHBondContact O-N 3.45Å; F740-I864 HydrophobicContact CD1-CD1 4.41Å |
| 741 | L | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73.2 | -35.4 | 178.3 | -66.6 | 169.2 | 0 | 0 | 0 | 113.3 | P696 A737 D738 R739 L743 L744 G745 K746 R748 V806 V808 I864 | P696-L741 HydrophobicContact CG-CB 4.05Å; A737-L741 VanDerWaalsContact O-CG 3.28Å; A737-L741 WeakPolarHBondContact O-CG 3.48Å; A737-L741 PolarHBondContact O-N 3.44Å; D738-L741 PolarHBondContact O-N 2.95Å; R739-L741 VanDerWaalsContact C-N 3.3Å; R739-L741 PolarHBondContact O-N 3.46Å; L741-L743 VanDerWaalsContact C-N 3.35Å; L741-L744 PolarHBondContact O-N 2.71Å; L741-G745 PolarHBondContact O-N 2.92Å; L741-K746 HydrophobicContact CD2-CB 4.24Å; L741-K746 PolarHBondContact O-N 2.81Å; L741-K746 VanDerWaalsContact O-N 3.08Å; L741-R748 HydrophobicContact CD1-CB 3.89Å; L741-R748 HydrophobicContact CD1-CG 4.44Å; L741-V806 HydrophobicContact CD1-CG1 4.35Å; L741-V806 HydrophobicContact CD2-CB 3.82Å; L741-V806 HydrophobicContact CD2-CG1 3.89Å; L741-V806 HydrophobicContact CD2-CG2 3.69Å; L741-V808 HydrophobicContact CD1-CG2 3.8Å; L741-I864 HydrophobicContact CD1-CD1 4.16Å; L741-I864 HydrophobicContact CD2-CD1 4.22Å; L741-I864 HydrophobicContact CG-CD1 4.27Å |
| 742 | Q | 90.4 | Very high | 88.6 | Confident | 41 Ų | 41 | 30 Ų | 30 | 19% | 0.192 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 170.6 | -174.3 | -175.1 | 32.8 | 0 | 0 | 110.7 | P696 D697 D738 R739 G745 | P696-Q742 VanDerWaalsContact O-CB 3.24Å; P696-Q742 WeakPolarHBondContact O-CB 3.46Å; P696-Q742 VanDerWaalsContact O-CG 3.22Å; P696-Q742 WeakPolarHBondContact O-CG 3.38Å; D697-Q742 PolarHBondContact OD1-NE2 2.81Å; D738-Q742 WeakPolarHBondContact O-CB 3.26Å; D738-Q742 PolarHBondContact O-N 2.85Å; R739-Q742 VanDerWaalsContact CD-OE1 3.28Å; R739-Q742 WeakPolarHBondContact O-CB 3.35Å; R739-Q742 PolarHBondContact O-N 3.22Å; Q742-G745 PolarHBondContact O-N 3.29Å |
| 743 | L | 89.9 | Confident | 88.6 | Confident | 16 Ų | 16 | 29.1 Ų | 29.1 | 8% | 0.084 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.6 | -37.1 | 178.4 | -72.7 | 173.7 | 0 | 0 | 0 | 112.8 | A670 L677 I679 M710 R739 F740 L741 G745 | A670-L743 HydrophobicContact CB-CD1 3.93Å; L677-L743 HydrophobicContact CD1-CB 3.91Å; L677-L743 HydrophobicContact CD1-CD2 4.31Å; L677-L743 HydrophobicContact CD2-CB 4.05Å; I679-L743 HydrophobicContact CD1-CD1 4.14Å; M710-L743 HydrophobicContact SD-CD1 4.28Å; R739-L743 HydrophobicContact CG-CD1 4.17Å; R739-L743 HydrophobicContact CG-CG 4.49Å; R739-L743 WeakPolarHBondContact O-CB 3.34Å; R739-L743 VanDerWaalsContact O-CG 3.3Å; R739-L743 WeakPolarHBondContact O-CG 3.44Å; R739-L743 PolarHBondContact O-N 3.26Å; F740-L743 PolarHBondContact O-N 2.91Å; L741-L743 VanDerWaalsContact C-N 3.35Å; L743-G745 PolarHBondContact O-N 3.45Å |
| 744 | L | 88.5 | Confident | 88.2 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -74.5 | -12.4 | 174.6 | -76.6 | 172.9 | 0 | 0 | 0 | 113.4 | L677 I684 L686 L714 Y717 F740 L741 K746 | L677-L744 HydrophobicContact CD2-CD2 3.67Å; L677-L744 HydrophobicContact CD2-CG 4.01Å; I684-L744 HydrophobicContact CD1-CD2 4.46Å; I684-L744 HydrophobicContact CG2-CD2 3.82Å; L686-L744 HydrophobicContact CD2-CD2 4.37Å; L686-L744 WeakPolarHBondContact CD2-O 3.25Å; L714-L744 HydrophobicContact CD1-CD2 4.06Å; Y717-L744 HydrophobicContact CD1-CD1 4.18Å; Y717-L744 HydrophobicContact CD2-CD1 4.45Å; Y717-L744 HydrophobicContact CE1-CD1 4.01Å; Y717-L744 HydrophobicContact CE1-CD2 4.43Å; Y717-L744 HydrophobicContact CE2-CD1 4.27Å; Y717-L744 HydrophobicContact CG-CD1 4.4Å; F740-L744 HydrophobicContact CD1-CD1 3.84Å; F740-L744 HydrophobicContact CE1-CD1 3.37Å; F740-L744 HydrophobicContact CE2-CD1 4.14Å; F740-L744 HydrophobicContact CG-CD1 4.41Å; F740-L744 HydrophobicContact CZ-CD1 3.55Å; F740-L744 HydrophobicContact CZ-CG 4.45Å; F740-L744 WeakPolarHBondContact O-CB 3.49Å; F740-L744 WeakPolarHBondContact O-CG 3.44Å; F740-L744 PolarHBondContact O-N 3.45Å; L741-L744 PolarHBondContact O-N 2.71Å; L744-K746 HydrophobicContact CB-CB 4.27Å; L744-K746 HydrophobicContact CB-CG 3.9Å; L744-K746 PolarHBondContact O-N 3.46Å |
| 745 | G | 86 | Confident | 87.3 | Confident | 20 Ų | 20 | 35.9 Ų | 35.9 | 21% | 0.206 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 33.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I695 L741 Q742 L743 | I695-G745 WeakPolarHBondContact CD1-O 3.42Å; L741-G745 PolarHBondContact O-N 2.92Å; Q742-G745 PolarHBondContact O-N 3.29Å; L743-G745 PolarHBondContact O-N 3.45Å |
| 746 | K | 85.2 | Confident | 86.2 | Confident | 36 Ų | 36 | 35.5 Ų | 35.5 | 16% | 0.157 | 16% | 0.163 | C | C | . | . | trans | -102.2 | 128.8 | -176.4 | -72.5 | -67.5 | 179.3 | -170.4 | 0 | 111.2 | E687 L741 L744 V806 | E687-K746 IonicContact OE2-NZ 3.95Å; E687-K746 PolarHBondContact OE2-NZ 3.09Å; L741-K746 HydrophobicContact CD2-CB 4.24Å; L741-K746 PolarHBondContact O-N 2.81Å; L741-K746 VanDerWaalsContact O-N 3.08Å; L744-K746 HydrophobicContact CB-CB 4.27Å; L744-K746 HydrophobicContact CB-CG 3.9Å; L744-K746 PolarHBondContact O-N 3.46Å; K746-V806 HydrophobicContact CB-CG2 4.27Å | ||
| 747 | P | 84.6 | Confident | 85.4 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 7% | 0.065 | 17% | 0.168 | C | C | . | . | trans | -67.3 | 143.8 | 175.2 | 28.9 | -35.8 | 0 | 0 | 0 | 110.4 | D691 L694 H805 V806 | D691-P747 HydrophobicContact CB-CB 4.39Å; L694-P747 HydrophobicContact CB-CB 3.57Å; L694-P747 HydrophobicContact CD1-CB 4.4Å; P747-H805 HydrophobicContact CG-CB 4.48Å; P747-H805 WeakPolarHBondContact CG-CD2 3.3Å; P747-H805 VanDerWaalsContact CG-NE2 3.34Å; P747-H805 WeakPolarHBondContact CG-NE2 3.22Å; P747-V806 PolarHBondContact O-N 2.97Å; P747-V806 VanDerWaalsContact O-N 3.08Å | ||
| 748 | R | 87.8 | Confident | 84.3 | Confident | 47 Ų | 47 | 37.2 Ų | 37.2 | 18% | 0.177 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 151.5 | 178.5 | 72.6 | 163.5 | -177.7 | -174.3 | -17.9 | 114.1 | L694 P696 D738 L741 V806 V808 | L694-R748 PolarHBondContact O-N 2.79Å; P696-R748 HydrophobicContact CG-CG 3.88Å; D738-R748 VanDerWaalsContact CG-CZ 3.48Å; D738-R748 IonicContact OD1-CZ 3.57Å; D738-R748 VanDerWaalsContact OD1-CZ 3.29Å; D738-R748 IonicContact OD1-NH1 2.91Å; D738-R748 PolarHBondContact OD1-NH1 3.3Å; D738-R748 IonicContact OD1-NH2 3.42Å; D738-R748 PolarHBondContact OD1-NH2 2.91Å; D738-R748 IonicContact OD2-CZ 2.91Å; D738-R748 IonicContact OD2-NH1 2.76Å; D738-R748 PolarHBondContact OD2-NH1 3.09Å; D738-R748 IonicContact OD2-NH2 2.74Å; D738-R748 PolarHBondContact OD2-NH2 3.13Å; L741-R748 HydrophobicContact CD1-CB 3.89Å; L741-R748 HydrophobicContact CD1-CG 4.44Å; R748-V806 CarbonylContact C-O 3.52Å; R748-V806 WeakPolarHBondContact CA-O 3.37Å; R748-V806 WeakPolarHBondContact CB-O 3.44Å; R748-V808 HydrophobicContact CB-CG2 4.36Å |
| 749 | Q | 85.5 | Confident | 83 | Confident | 32 Ų | 32 | 37.5 Ų | 37.5 | 15% | 0.15 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 143.5 | 161.4 | -69.5 | -64.7 | -5.5 | 0 | 0 | 108.6 | P779 F782 A783 V806 L807 V808 | Q749-P779 HydrophobicContact CB-CB 4.07Å; Q749-P779 HydrophobicContact CG-CB 4.39Å; Q749-F782 HydrophobicContact CG-CD1 4.17Å; Q749-A783 HydrophobicContact CB-CB 4.36Å; Q749-A783 HydrophobicContact CG-CB 4.13Å; Q749-V806 PolarHBondContact N-O 3.08Å; Q749-L807 HydrophobicContact CB-CD1 3.76Å; Q749-V808 PolarHBondContact O-N 2.93Å |
| 750 | Y | 86 | Confident | 81.8 | Confident | 90 Ų | 90 | 38.4 Ų | 38.4 | 35% | 0.353 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.4 | -178.4 | 178.4 | -90.5 | 0 | 0 | 0 | 110.3 | Q752 V808 D810 | Y750-Q752 HydrophobicContact CE1-CB 4.01Å; Y750-V808 WeakPolarHBondContact CA-O 3.43Å; Y750-V808 HydrophobicContact CD2-CB 4.17Å; Y750-V808 HydrophobicContact CD2-CG1 3.98Å; Y750-V808 HydrophobicContact CE2-CG1 4.34Å; Y750-D810 HydrophobicContact CE2-CB 3.69Å; Y750-D810 VanDerWaalsContact OH-CB 3.25Å; Y750-D810 WeakPolarHBondContact OH-CB 3.36Å; Y750-D810 PolarHBondContact OH-OD2 3.32Å |
| 751 | I | 85.7 | Confident | 80.7 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.6 | 173.1 | -58.8 | 177.2 | 0 | 0 | 0 | 107.9 | L753 L762 P779 L780 L807 V808 V809 D810 | I751-L753 HydrophobicContact CG2-CD2 3.87Å; I751-L762 HydrophobicContact CD1-CD2 4.48Å; I751-L762 HydrophobicContact CG2-CD2 4.06Å; I751-P779 HydrophobicContact CD1-CB 3.96Å; I751-P779 HydrophobicContact CD1-CG 4.32Å; I751-P779 HydrophobicContact CG1-CB 3.89Å; I751-P779 HydrophobicContact CG1-CG 4.11Å; I751-L780 HydrophobicContact CD1-CB 4.04Å; I751-L807 HydrophobicContact CD1-CD1 3.79Å; I751-L807 HydrophobicContact CD1-CD2 4.49Å; I751-L807 HydrophobicContact CG1-CD1 3.93Å; I751-V808 PolarHBondContact N-O 2.95Å; I751-V809 WeakPolarHBondContact O-CA 3.45Å; I751-D810 PolarHBondContact O-N 2.59Å |
| 752 | Q | 87.9 | Confident | 79.7 | Confident | 79 Ų | 79 | 40.9 Ų | 40.9 | 37% | 0.369 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.1 | 170.8 | -172.9 | 174.3 | -2.7 | 0 | 0 | 109.3 | Y750 E811 | Y750-Q752 HydrophobicContact CE1-CB 4.01Å; Q752-E811 HydrophobicContact CG-CG 4.24Å; Q752-E811 PolarHBondContact NE2-OE2 3.39Å |
| 753 | L | 84.3 | Confident | 78.7 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | trans | -90.8 | 141 | 178.8 | -57.6 | -173.3 | 0 | 0 | 0 | 111.5 | I751 T757 L762 V809 D810 A812 A815 L823 | I751-L753 HydrophobicContact CG2-CD2 3.87Å; L753-T757 HydrophobicContact CD2-CG2 4.06Å; L753-L762 HydrophobicContact CD2-CD1 4.37Å; L753-L762 HydrophobicContact CD2-CD2 3.55Å; L753-L762 HydrophobicContact CD2-CG 4.47Å; L753-V809 HydrophobicContact CD1-CG1 3.36Å; L753-V809 HydrophobicContact CD2-CG1 4.35Å; L753-V809 HydrophobicContact CG-CG1 3.61Å; L753-D810 PolarHBondContact N-O 3.18Å; L753-A812 HydrophobicContact CD1-CB 4.34Å; L753-A815 HydrophobicContact CB-CB 4Å; L753-A815 HydrophobicContact CD1-CB 3.75Å; L753-A815 HydrophobicContact CG-CB 4.46Å; L753-L823 HydrophobicContact CD1-CD1 4.42Å | ||
| 754 | H | 80.6 | Confident | 77.7 | Confident | 91 Ų | 91 | 38.8 Ų | 38.8 | 42% | 0.421 | 19% | 0.188 | S | C | . | . | trans | -121 | 165.9 | 175.8 | -57.3 | -53.9 | 0 | 0 | 0 | 111.2 | D756 T757 | H754-D756 PolarHBondContact O-N 3.42Å; H754-T757 WeakPolarHBondContact CA-OG1 3.47Å; H754-T757 PolarHBondContact N-OG1 2.78Å; H754-T757 WeakPolarHBondContact O-CB 3.41Å; H754-T757 PolarHBondContact O-N 2.97Å; H754-T757 VanDerWaalsContact O-N 3.11Å; H754-T757 PolarHBondContact O-OG1 2.81Å | ||
| 755 | R | 70.8 | Confident | 76.7 | Confident | 125 Ų | 125 | 43.1 Ų | 43.1 | 47% | 0.472 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26 | 176.7 | -66.9 | -176.6 | 179.3 | -162.3 | -0.7 | 113.5 | K814 E1178 | R755-K814 VanDerWaalsContact CA-O 3.22Å; R755-K814 WeakPolarHBondContact CA-O 3.36Å; R755-K814 HydrophobicContact CG-CB 4.28Å; R755-K814 WeakPolarHBondContact CG-O 3.41Å; R755-K814 PolarHBondContact N-O 3.29Å; R755-E1178 IonicContact NH1-OE1 3.79Å; R755-E1178 PolarHBondContact NH1-OE1 2.9Å |
| 756 | D | 66.1 | Low | 75.9 | Confident | 71 Ų | 71 | 44.7 Ų | 44.7 | 38% | 0.38 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 4.5 | -179.9 | -55 | -70.7 | 0 | 0 | 0 | 113.7 | H754 T758 W1181 R1209 | H754-D756 PolarHBondContact O-N 3.42Å; D756-T758 PolarHBondContact O-N 3.25Å; D756-W1181 PolarHBondContact OD1-NE1 3.17Å; D756-R1209 IonicContact OD1-CZ 3.16Å; D756-R1209 IonicContact OD1-NE 3.44Å; D756-R1209 IonicContact OD1-NH2 2.87Å; D756-R1209 PolarHBondContact OD1-NH2 2.91Å; D756-R1209 IonicContact OD2-CZ 3.66Å; D756-R1209 IonicContact OD2-NH2 3.88Å; D756-R1209 PolarHBondContact OD2-NH2 3.04Å |
| 757 | T | 73.5 | Confident | 75.1 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 10% | 0.104 | 22% | 0.219 | C | C | . | . | trans | -60.8 | 134.6 | -179.9 | -45.6 | 0 | 0 | 0 | 0 | 109.4 | L753 H754 S761 L762 P816 V819 | L753-T757 HydrophobicContact CD2-CG2 4.06Å; H754-T757 WeakPolarHBondContact CA-OG1 3.47Å; H754-T757 PolarHBondContact N-OG1 2.78Å; H754-T757 WeakPolarHBondContact O-CB 3.41Å; H754-T757 PolarHBondContact O-N 2.97Å; H754-T757 VanDerWaalsContact O-N 3.11Å; H754-T757 PolarHBondContact O-OG1 2.81Å; T757-S761 WeakPolarHBondContact CG2-OG 3.48Å; T757-L762 HydrophobicContact CG2-CD1 3.89Å; T757-L762 HydrophobicContact CG2-CD2 4.12Å; T757-L762 HydrophobicContact CG2-CG 3.75Å; T757-P816 VanDerWaalsContact O-CG 3.22Å; T757-P816 WeakPolarHBondContact O-CG 3.12Å; T757-V819 VanDerWaalsContact O-CG2 3.25Å; T757-V819 WeakPolarHBondContact O-CG2 3.18Å | ||
| 758 | T | 68.3 | Low | 74.2 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | trans | -110.7 | 160.9 | 176.8 | 67.4 | 0 | 0 | 0 | 0 | 110.8 | D756 Q760 S761 L762 | D756-T758 PolarHBondContact O-N 3.25Å; T758-Q760 VanDerWaalsContact C-N 3.27Å; T758-Q760 PolarHBondContact O-N 3.23Å; T758-S761 PolarHBondContact N-OG 3.41Å; T758-S761 VanDerWaalsContact N-OG 3.09Å; T758-S761 PolarHBondContact O-N 3.35Å; T758-S761 PolarHBondContact O-OG 2.91Å; T758-S761 PolarHBondContact OG1-N 2.74Å; T758-S761 PolarHBondContact OG1-OG 3.33Å; T758-L762 PolarHBondContact O-N 3.05Å | ||
| 759 | V | 67.2 | Low | 73.1 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 14% | 0.139 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55 | -42.9 | 175.3 | 178.5 | 0 | 0 | 0 | 0 | 112.2 | L762 T763 V819 I822 | V759-L762 PolarHBondContact O-N 2.93Å; V759-T763 PolarHBondContact O-N 2.97Å; V759-T763 PolarHBondContact O-OG1 3.23Å; V759-V819 HydrophobicContact CG2-CG2 4.45Å; V759-I822 HydrophobicContact CB-CD1 3.76Å; V759-I822 HydrophobicContact CG1-CD1 3.15Å; V759-I822 HydrophobicContact CG2-CD1 3.24Å; V759-I822 HydrophobicContact CG2-CG1 4.48Å |
| 760 | Q | 65.5 | Low | 72.2 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 179.6 | -80.9 | 163.3 | -25 | 0 | 0 | 111.3 | T758 L762 T763 V764 P835 G1193 | T758-Q760 VanDerWaalsContact C-N 3.27Å; T758-Q760 PolarHBondContact O-N 3.23Å; Q760-L762 PolarHBondContact O-N 3.43Å; Q760-T763 WeakPolarHBondContact CA-OG1 3.44Å; Q760-T763 PolarHBondContact O-N 2.77Å; Q760-T763 PolarHBondContact O-OG1 3.33Å; Q760-V764 PolarHBondContact O-N 3.06Å; Q760-P835 HydrophobicContact CG-CB 3.97Å; Q760-P835 HydrophobicContact CG-CG 3.75Å; Q760-G1193 VanDerWaalsContact CD-CA 3.45Å; Q760-G1193 VanDerWaalsContact NE2-CA 3.33Å |
| 761 | S | 69.7 | Low | 70.8 | Confident | 40 Ų | 40 | 57.2 Ų | 57.2 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.3 | -23 | 177.8 | 67 | 0 | 0 | 0 | 0 | 114.1 | T757 T758 | T757-S761 WeakPolarHBondContact CG2-OG 3.48Å; T758-S761 PolarHBondContact N-OG 3.41Å; T758-S761 VanDerWaalsContact N-OG 3.09Å; T758-S761 PolarHBondContact O-N 3.35Å; T758-S761 PolarHBondContact O-OG 2.91Å; T758-S761 PolarHBondContact OG1-N 2.74Å; T758-S761 PolarHBondContact OG1-OG 3.33Å |
| 762 | L | 71 | Confident | 69.6 | Low | 11 Ų | 11 | 59.5 Ų | 59.5 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -88.3 | -14.1 | 177.5 | -75.6 | 169.5 | 0 | 0 | 0 | 114.9 | I751 L753 T757 T758 V759 Q760 S778 V819 | I751-L762 HydrophobicContact CD1-CD2 4.48Å; I751-L762 HydrophobicContact CG2-CD2 4.06Å; L753-L762 HydrophobicContact CD2-CD1 4.37Å; L753-L762 HydrophobicContact CD2-CD2 3.55Å; L753-L762 HydrophobicContact CD2-CG 4.47Å; T757-L762 HydrophobicContact CG2-CD1 3.89Å; T757-L762 HydrophobicContact CG2-CD2 4.12Å; T757-L762 HydrophobicContact CG2-CG 3.75Å; T758-L762 PolarHBondContact O-N 3.05Å; V759-L762 PolarHBondContact O-N 2.93Å; Q760-L762 PolarHBondContact O-N 3.43Å; L762-S778 VanDerWaalsContact O-CB 3.25Å; L762-S778 WeakPolarHBondContact O-CB 3.49Å; L762-S778 PolarHBondContact O-OG 3.2Å; L762-V819 HydrophobicContact CD1-CB 4.18Å; L762-V819 HydrophobicContact CD1-CG1 3.22Å; L762-V819 HydrophobicContact CD1-CG2 4.02Å |
| 763 | T | 69 | Low | 68.5 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -113.5 | -52.9 | -172.3 | 41.6 | 0 | 0 | 0 | 0 | 111.1 | V759 Q760 S778 V781 M832 L834 P835 | V759-T763 PolarHBondContact O-N 2.97Å; V759-T763 PolarHBondContact O-OG1 3.23Å; Q760-T763 WeakPolarHBondContact CA-OG1 3.44Å; Q760-T763 PolarHBondContact O-N 2.77Å; Q760-T763 PolarHBondContact O-OG1 3.33Å; T763-S778 VanDerWaalsContact O-CB 3.24Å; T763-S778 WeakPolarHBondContact O-CB 3.49Å; T763-S778 PolarHBondContact O-N 3.11Å; T763-S778 VanDerWaalsContact O-N 3.08Å; T763-S778 PolarHBondContact O-OG 3.25Å; T763-V781 WeakPolarHBondContact O-CG2 3.47Å; T763-M832 HydrophobicContact CG2-CE 3.19Å; T763-L834 HydrophobicContact CG2-CD2 3.57Å; T763-P835 VanDerWaalsContact CB-CD 3.43Å; T763-P835 WeakPolarHBondContact OG1-CD 3.47Å; T763-P835 WeakPolarHBondContact OG1-CG 3.14Å |
| 764 | V | 68.5 | Low | 67.6 | Low | 13 Ų | 13 | 60.9 Ų | 60.9 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 128 | -175 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | Q760 F775 D836 | Q760-V764 PolarHBondContact O-N 3.06Å; V764-F775 HydrophobicContact CG1-CB 3.7Å; V764-F775 HydrophobicContact CG1-CD1 3.67Å; V764-F775 HydrophobicContact CG1-CG 4.17Å; V764-D836 HydrophobicContact CG2-CB 4.14Å |
| 765 | Q | 68.6 | Low | 67 | Low | 94 Ų | 94 | 60.8 Ų | 60.8 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 125.6 | 171.5 | -68.5 | -172.8 | -14.1 | 0 | 0 | 109 | E776 | Q765-E776 PolarHBondContact N-O 2.88Å; Q765-E776 PolarHBondContact O-N 3.43Å |
| 766 | T | 67.7 | Low | 66.9 | Low | 53 Ų | 53 | 59.3 Ų | 59.3 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 122.2 | 174.9 | 50.5 | 0 | 0 | 0 | 0 | 109.1 | F775 | T766-F775 HydrophobicContact CG2-CD1 3.51Å; T766-F775 HydrophobicContact CG2-CE1 3.35Å; T766-F775 HydrophobicContact CG2-CZ 4.34Å |
| 767 | T | 68.2 | Low | 67.3 | Low | 40 Ų | 40 | 58.9 Ų | 58.9 | 25% | 0.245 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 145 | 172.3 | 64.8 | 0 | 0 | 0 | 0 | 109 | H774 | T767-H774 PolarHBondContact N-O 3.12Å; T767-H774 PolarHBondContact O-N 2.82Å; T767-H774 PolarHBondContact OG1-O 3.33Å |
| 768 | V | 66.5 | Low | 67.2 | Low | 103 Ų | 103 | 58.1 Ų | 58.1 | 62% | 0.624 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 109.3 | 172.5 | -178.9 | 0 | 0 | 0 | 0 | 106.8 | V772 L773 | V768-V772 WeakPolarHBondContact CA-O 3.4Å; V768-L773 HydrophobicContact CG2-CD2 3.64Å; V768-L773 HydrophobicContact CG2-CG 4.4Å |
| 769 | Q | 65.7 | Low | 67.4 | Low | 90 Ų | 90 | 59 Ų | 59 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.9 | 175.2 | -59.7 | -178.1 | 6.8 | 0 | 0 | 108.1 | G771 V772 | Q769-G771 PolarHBondContact O-N 2.88Å; Q769-V772 PolarHBondContact N-O 3.39Å; Q769-V772 PolarHBondContact O-N 2.99Å |
| 770 | D | 66.7 | Low | 67.8 | Low | 174 Ų | 174 | 58 Ų | 58 | 93% | 0.93 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 32.2 | -179.8 | -58.7 | -36.7 | 0 | 0 | 0 | 115.1 | V772 | D770-V772 VanDerWaalsContact C-N 3.3Å; D770-V772 PolarHBondContact O-N 3.23Å |
| 771 | G | 56.6 | Low | 67.8 | Low | 72 Ų | 72 | 55 Ų | 55 | 74% | 0.742 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 2.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | Q769 | Q769-G771 PolarHBondContact O-N 2.88Š|
| 772 | V | 59.9 | Low | 67.6 | Low | 70 Ų | 70 | 56.1 Ų | 56.1 | 42% | 0.424 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 136.8 | 174.8 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | V768 Q769 D770 H774 | V768-V772 WeakPolarHBondContact CA-O 3.4Å; Q769-V772 PolarHBondContact N-O 3.39Å; Q769-V772 PolarHBondContact O-N 2.99Å; D770-V772 VanDerWaalsContact C-N 3.3Å; D770-V772 PolarHBondContact O-N 3.23Å; V772-H774 PolarHBondContact O-CD2 2.91Å; V772-H774 PolarHBondContact O-N 3.05Å |
| 773 | L | 64.7 | Low | 66.8 | Low | 27 Ų | 27 | 55.6 Ų | 55.6 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 114.5 | 173.3 | -79.6 | 162.4 | 0 | 0 | 0 | 109.9 | M424 V768 F775 V1195 I1199 | M424-L773 HydrophobicContact CE-CD1 4.03Å; M424-L773 HydrophobicContact SD-CD1 3.66Å; V768-L773 HydrophobicContact CG2-CD2 3.64Å; V768-L773 HydrophobicContact CG2-CG 4.4Å; L773-F775 HydrophobicContact CB-CE2 4.31Å; L773-V1195 HydrophobicContact CD1-CG1 3.9Å; L773-V1195 HydrophobicContact CD2-CG1 3.84Å; L773-I1199 HydrophobicContact CD1-CD1 3.57Å |
| 774 | H | 64.6 | Low | 65.8 | Low | 84 Ų | 84 | 55.6 Ų | 55.6 | 39% | 0.389 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.6 | 171.4 | -76.8 | -88 | 0 | 0 | 0 | 109.7 | T767 V772 | T767-H774 PolarHBondContact N-O 3.12Å; T767-H774 PolarHBondContact O-N 2.82Å; T767-H774 PolarHBondContact OG1-O 3.33Å; V772-H774 PolarHBondContact O-CD2 2.91Å; V772-H774 PolarHBondContact O-N 3.05Å |
| 775 | F | 67.9 | Low | 65.1 | Low | 89 Ų | 89 | 55.8 Ų | 55.8 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 114.1 | 174.3 | -64.7 | -87.4 | 0 | 0 | 0 | 108.2 | V764 T766 L773 | V764-F775 HydrophobicContact CG1-CB 3.7Å; V764-F775 HydrophobicContact CG1-CD1 3.67Å; V764-F775 HydrophobicContact CG1-CG 4.17Å; T766-F775 HydrophobicContact CG2-CD1 3.51Å; T766-F775 HydrophobicContact CG2-CE1 3.35Å; T766-F775 HydrophobicContact CG2-CZ 4.34Å; L773-F775 HydrophobicContact CB-CE2 4.31Å |
| 776 | E | 69.8 | Low | 64.1 | Low | 93 Ų | 93 | 54.4 Ų | 54.4 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 140.1 | 175.4 | -66.3 | -172.6 | 175 | 0 | 0 | 110.3 | Q765 S778 | Q765-E776 PolarHBondContact N-O 2.88Å; Q765-E776 PolarHBondContact O-N 3.43Å; E776-S778 PolarHBondContact O-N 3.24Å |
| 777 | D | 73.2 | Confident | 63 | Low | 63 Ų | 63 | 54 Ų | 54 | 34% | 0.337 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 132.3 | 179.3 | -72.8 | 6.3 | 0 | 0 | 0 | 110.3 | V781 R838 | D777-V781 HydrophobicContact CB-CB 4.13Å; D777-V781 HydrophobicContact CB-CG1 4.07Å; D777-R838 IonicContact OD1-CZ 2.64Å; D777-R838 VanDerWaalsContact OD1-CZ 3.3Å; D777-R838 IonicContact OD1-NH1 3.24Å; D777-R838 PolarHBondContact OD1-NH1 3.38Å; D777-R838 VanDerWaalsContact OD1-NH1 3.14Å; D777-R838 IonicContact OD1-NH2 3.4Å; D777-R838 PolarHBondContact OD1-NH2 2.72Å; D777-R838 IonicContact OD2-CZ 3.44Å; D777-R838 IonicContact OD2-NH1 3.44Å; D777-R838 PolarHBondContact OD2-NH1 3.19Å; D777-R838 IonicContact OD2-NH2 3.85Å |
| 778 | S | 73.1 | Confident | 61.5 | Low | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 162.6 | 173.9 | 80.2 | 0 | 0 | 0 | 0 | 111.2 | L762 T763 E776 L780 V781 F782 | L762-S778 VanDerWaalsContact O-CB 3.25Å; L762-S778 WeakPolarHBondContact O-CB 3.49Å; L762-S778 PolarHBondContact O-OG 3.2Å; T763-S778 VanDerWaalsContact O-CB 3.24Å; T763-S778 WeakPolarHBondContact O-CB 3.49Å; T763-S778 PolarHBondContact O-N 3.11Å; T763-S778 VanDerWaalsContact O-N 3.08Å; T763-S778 PolarHBondContact O-OG 3.25Å; E776-S778 PolarHBondContact O-N 3.24Å; S778-L780 PolarHBondContact O-N 3.49Å; S778-L780 PolarHBondContact OG-N 2.9Å; S778-V781 PolarHBondContact O-N 3.37Å; S778-V781 VanDerWaalsContact O-N 3.1Å; S778-V781 PolarHBondContact OG-N 3.48Å; S778-F782 WeakPolarHBondContact O-CB 3.38Å; S778-F782 PolarHBondContact O-N 3.24Å |
| 779 | P | 72.1 | Confident | 60 | Low | 37 Ų | 37 | 62.4 Ų | 62.4 | 24% | 0.24 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.5 | -22.7 | 173.9 | -21.7 | 31.3 | 0 | 0 | 0 | 113.5 | Q749 I751 A783 | Q749-P779 HydrophobicContact CB-CB 4.07Å; Q749-P779 HydrophobicContact CG-CB 4.39Å; I751-P779 HydrophobicContact CD1-CB 3.96Å; I751-P779 HydrophobicContact CD1-CG 4.32Å; I751-P779 HydrophobicContact CG1-CB 3.89Å; I751-P779 HydrophobicContact CG1-CG 4.11Å; P779-A783 VanDerWaalsContact O-CB 3.23Å; P779-A783 WeakPolarHBondContact O-CB 3.47Å; P779-A783 PolarHBondContact O-N 3.26Å |
| 780 | L | 74.5 | Confident | 58.5 | Low | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73 | -49.7 | 175.2 | 175.3 | 145.8 | 0 | 0 | 0 | 111.8 | I751 S778 F782 A783 A784 L807 L823 L826 M832 | I751-L780 HydrophobicContact CD1-CB 4.04Å; S778-L780 PolarHBondContact O-N 3.49Å; S778-L780 PolarHBondContact OG-N 2.9Å; L780-F782 VanDerWaalsContact C-N 3.3Å; L780-F782 PolarHBondContact O-N 3.26Å; L780-A783 PolarHBondContact O-N 2.95Å; L780-A784 PolarHBondContact O-N 3.46Å; L780-A784 VanDerWaalsContact O-N 3.14Å; L780-L807 HydrophobicContact CB-CD2 3.9Å; L780-L807 HydrophobicContact CD1-CD2 3.91Å; L780-L807 HydrophobicContact CG-CD2 3.95Å; L780-L823 HydrophobicContact CD1-CD2 3.35Å; L780-L826 HydrophobicContact CD1-CD2 4.25Å; L780-L826 HydrophobicContact CD2-CD2 4.24Å; L780-L826 HydrophobicContact CG-CD2 4.34Å; L780-M832 HydrophobicContact CD2-CE 4.12Å; L780-M832 HydrophobicContact CD2-SD 3.81Å |
| 781 | V | 66.9 | Low | 56.7 | Low | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 178 | 177.1 | 0 | 0 | 0 | 0 | 109.4 | T763 D777 S778 A783 A784 C785 L834 I855 | T763-V781 WeakPolarHBondContact O-CG2 3.47Å; D777-V781 HydrophobicContact CB-CB 4.13Å; D777-V781 HydrophobicContact CB-CG1 4.07Å; S778-V781 PolarHBondContact O-N 3.37Å; S778-V781 VanDerWaalsContact O-N 3.1Å; S778-V781 PolarHBondContact OG-N 3.48Å; V781-A783 VanDerWaalsContact C-N 3.31Å; V781-A783 PolarHBondContact O-N 2.64Å; V781-A784 PolarHBondContact O-N 3.09Å; V781-A784 VanDerWaalsContact O-N 3.09Å; V781-C785 PolarHBondContact O-N 3.4Å; V781-C785 VanDerWaalsContact O-N 3.08Å; V781-C785 PolarHBondContact O-SG 2.85Å; V781-L834 HydrophobicContact CG1-CD1 3.92Å; V781-L834 HydrophobicContact CG2-CD1 3.77Å; V781-L834 HydrophobicContact CG2-CD2 3.64Å; V781-L834 HydrophobicContact CG2-CG 4.39Å; V781-I855 HydrophobicContact CG1-CD1 4.11Å |
| 782 | F | 64 | Low | 55.3 | Low | 62 Ų | 62 | 74 Ų | 74 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.5 | -41.8 | 176 | -172.3 | -81.7 | 0 | 0 | 0 | 113.2 | Q749 S778 L780 A784 A800 | Q749-F782 HydrophobicContact CG-CD1 4.17Å; S778-F782 WeakPolarHBondContact O-CB 3.38Å; S778-F782 PolarHBondContact O-N 3.24Å; L780-F782 VanDerWaalsContact C-N 3.3Å; L780-F782 PolarHBondContact O-N 3.26Å; F782-A784 VanDerWaalsContact C-N 3.34Å; F782-A800 HydrophobicContact CE1-CB 4.42Å; F782-A800 HydrophobicContact CE2-CB 3.65Å; F782-A800 WeakPolarHBondContact CE2-O 3.49Å; F782-A800 HydrophobicContact CZ-CB 3.3Å; F782-A800 WeakPolarHBondContact CZ-O 3.38Å |
| 783 | A | 54.7 | Low | 53.7 | Low | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.6 | -30.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q749 P779 L780 V781 H805 L807 F861 | Q749-A783 HydrophobicContact CB-CB 4.36Å; Q749-A783 HydrophobicContact CG-CB 4.13Å; P779-A783 VanDerWaalsContact O-CB 3.23Å; P779-A783 WeakPolarHBondContact O-CB 3.47Å; P779-A783 PolarHBondContact O-N 3.26Å; L780-A783 PolarHBondContact O-N 2.95Å; V781-A783 VanDerWaalsContact C-N 3.31Å; V781-A783 PolarHBondContact O-N 2.64Å; A783-H805 HydrophobicContact CB-CB 4.46Å; A783-L807 HydrophobicContact CB-CB 4.22Å; A783-F861 HydrophobicContact CB-CD2 4.06Å; A783-F861 HydrophobicContact CB-CE2 3.62Å; A783-F861 WeakPolarHBondContact O-CD2 3.37Å |
| 784 | A | 49.1 | Very low | 52.1 | Low | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -84.5 | -34.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L780 V781 F782 I840 M857 H858 F861 | L780-A784 PolarHBondContact O-N 3.46Å; L780-A784 VanDerWaalsContact O-N 3.14Å; V781-A784 PolarHBondContact O-N 3.09Å; V781-A784 VanDerWaalsContact O-N 3.09Å; F782-A784 VanDerWaalsContact C-N 3.34Å; A784-I840 HydrophobicContact CB-CD1 4.04Å; A784-M857 CarbonylContact O-C 3.1Å; A784-M857 VanDerWaalsContact O-CA 3.32Å; A784-M857 WeakPolarHBondContact O-CA 3.39Å; A784-H858 PolarHBondContact O-N 3.14Å; A784-F861 HydrophobicContact CB-CE2 4.47Å; A784-F861 HydrophobicContact CB-CZ 4.48Å |
| 785 | C | 53 | Low | 50.3 | Low | 16 Ų | 16 | 87.3 Ų | 87.3 | 11% | 0.108 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 141 | -170.2 | -73.7 | 0 | 0 | 0 | 0 | 116.8 | V781 I855 G856 | V781-C785 PolarHBondContact O-N 3.4Å; V781-C785 VanDerWaalsContact O-N 3.08Å; V781-C785 PolarHBondContact O-SG 2.85Å; C785-I855 HydrophobicContact CB-CG2 3.87Å; C785-I855 WeakPolarHBondContact SG-CG2 3.43Å; C785-G856 CarbonylContact C-O 3.51Å |
| 786 | F | 47.1 | Very low | 48.3 | Very low | 65 Ų | 65 | 91.9 Ų | 91.9 | 29% | 0.285 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.2 | 161.5 | 179.4 | -106.4 | 0 | 0 | 0 | 110.3 | Y843 G856 H858 | F786-Y843 HydrophobicContact CD1-CD2 4.49Å; F786-Y843 HydrophobicContact CD1-CE2 4.15Å; F786-Y843 AromaticContact CE1-CE2 3.97Å; F786-Y843 HydrophobicContact CE1-CE2 3.97Å; F786-Y843 HydrophobicContact CZ-CE2 4.44Å; F786-G856 WeakPolarHBondContact CB-O 3.33Å; F786-G856 PolarHBondContact N-O 2.83Å; F786-H858 HydrophobicContact CB-CB 4.39Å; F786-H858 AromaticContact CD2-CD2 3.8Å |
| 787 | A | 45.6 | Very low | 46.3 | Very low | 45 Ų | 45 | 97.1 Ų | 97.1 | 37% | 0.372 | 46% | 0.464 | S | S | . | . | trans | -108.9 | 114.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K802 | A787-K802 WeakPolarHBondContact O-CE 3.48Š| ||
| 788 | S | 36.9 | Very low | 44 | Very low | 76 Ų | 76 | 99.7 Ų | 99.7 | 53% | 0.531 | 48% | 0.482 | S | S | . | . | trans | -92.1 | 140.5 | 166.1 | 75.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 789 | R | 33.2 | Very low | 41.9 | Very low | 243 Ų | 243 | 108.9 Ų | 108.9 | 92% | 0.917 | 52% | 0.522 | S | S | * | . | trans | 95.5 | 142.6 | 171.5 | -128.3 | 168.3 | -163.5 | 160.3 | 4.2 | 119.8 | ||||
| 790 | L | 34.4 | Very low | 39.7 | Very low | 156 Ų | 156 | 108.7 Ų | 108.7 | 82% | 0.817 | 52% | 0.523 | S | S | * | . | trans | -110.8 | 85.8 | -157.7 | -168.4 | 96.6 | 0 | 0 | 0 | 109.1 | ||||
| 791 | H | 30.1 | Very low | 37.4 | Very low | 163 Ų | 163 | 111.8 Ų | 111.8 | 76% | 0.755 | 55% | 0.549 | S | S | * | . | trans | -160.3 | 67.8 | 168.5 | -143.3 | 73.7 | 0 | 0 | 0 | 114 | ||||
| 792 | W | 26.2 | Very low | 36.6 | Very low | 261 Ų | 261 | 116.3 Ų | 116.3 | 99% | 0.989 | 57% | 0.569 | S | S | * | * | trans | -136 | 103.2 | 157 | -73.6 | 99.3 | 0 | 0 | 0 | 108.6 | ||||
| 793 | V | 27.6 | Very low | 36.2 | Very low | 112 Ų | 112 | 118.3 Ų | 118.3 | 68% | 0.679 | 58% | 0.575 | S | S | * | * | trans | -103.5 | 127.6 | 177.3 | 169.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 794 | K | 29.8 | Very low | 36.7 | Very low | 185 Ų | 185 | 118.6 Ų | 118.6 | 80% | 0.804 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 60.8 | 82.1 | 162.5 | -70.4 | 174.3 | 177.3 | 178.4 | 0 | 117.3 | ||
| 795 | L | 28.2 | Very low | 38.3 | Very low | 163 Ų | 163 | 118.8 Ų | 118.8 | 85% | 0.853 | 58% | 0.579 | S | S | * | * | S | Bend | -178 | 137.4 | 121.1 | -119.7 | 78.5 | 0 | 0 | 0 | 106.9 | |||
| 796 | F | 25.5 | Very low | 39.9 | Very low | 186 Ų | 186 | 118.1 Ų | 118.1 | 82% | 0.816 | 57% | 0.574 | S | S | * | * | trans | 68 | 102.7 | -172.8 | -91.5 | -99.8 | 0 | 0 | 0 | 115.7 | V798 | F796-V798 HydrophobicContact CB-CG2 4.13Å; F796-V798 HydrophobicContact CD1-CG2 3.83Å; F796-V798 HydrophobicContact CG-CG2 4.49Å; F796-V798 PolarHBondContact O-N 2.85Å | ||
| 797 | Q | 26.5 | Very low | 41.9 | Very low | 203 Ų | 203 | 115 Ų | 115 | 95% | 0.949 | 56% | 0.56 | S | S | * | * | trans | -64.4 | 78.4 | 162.1 | -70.6 | 178.5 | -13.8 | 0 | 0 | 109.2 | ||||
| 798 | V | 25.8 | Very low | 44 | Very low | 116 Ų | 116 | 112.9 Ų | 112.9 | 70% | 0.703 | 54% | 0.543 | S | S | * | . | trans | -117.7 | 97.2 | 171.5 | -175.9 | 0 | 0 | 0 | 0 | 107.5 | F796 | F796-V798 HydrophobicContact CB-CG2 4.13Å; F796-V798 HydrophobicContact CD1-CG2 3.83Å; F796-V798 HydrophobicContact CG-CG2 4.49Å; F796-V798 PolarHBondContact O-N 2.85Å | ||
| 799 | K | 28.1 | Very low | 46.5 | Very low | 194 Ų | 194 | 109.4 Ų | 109.4 | 84% | 0.843 | 52% | 0.519 | S | S | * | . | trans | -53.8 | 150.3 | 168.1 | -68.6 | 167.7 | 173.8 | 175.7 | 0 | 109.2 | ||||
| 800 | A | 26.4 | Very low | 49.3 | Very low | 33 Ų | 33 | 98.6 Ų | 98.6 | 27% | 0.273 | 48% | 0.479 | S | S | . | . | trans | 103.4 | 67.5 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | F782 | F782-A800 HydrophobicContact CE1-CB 4.42Å; F782-A800 HydrophobicContact CE2-CB 3.65Å; F782-A800 WeakPolarHBondContact CE2-O 3.49Å; F782-A800 HydrophobicContact CZ-CB 3.3Å; F782-A800 WeakPolarHBondContact CZ-O 3.38Å | ||
| 801 | A | 26.9 | Very low | 51.8 | Low | 67 Ų | 67 | 92.7 Ų | 92.7 | 55% | 0.554 | 45% | 0.447 | S | S | * | . | trans | -130.2 | 106.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 802 | K | 50.1 | Low | 54.3 | Low | 95 Ų | 95 | 85 Ų | 85 | 41% | 0.413 | 41% | 0.411 | S | S | . | . | trans | -179.3 | -16.8 | 165.9 | -107.5 | 164.2 | -172.1 | -178.9 | 0 | 123.3 | A787 | A787-K802 WeakPolarHBondContact O-CE 3.48Š| ||
| 803 | Y | 56 | Low | 56.9 | Low | 105 Ų | 105 | 72.7 Ų | 72.7 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | trans | -112.4 | -7.5 | -140.5 | -63.5 | -72.2 | 0 | 0 | 0 | 122.1 | S690 H805 | S690-Y803 VanDerWaalsContact OG-CD1 3.29Å; S690-Y803 WeakPolarHBondContact OG-CD1 3.44Å; S690-Y803 WeakPolarHBondContact OG-CE1 3.15Å; Y803-H805 WeakPolarHBondContact CB-CD2 3.44Å; Y803-H805 WeakPolarHBondContact CB-NE2 3.39Å; Y803-H805 AromaticContact CD2-NE2 3.9Å; Y803-H805 AromaticContact CG-NE2 3.77Å | ||
| 804 | G | 64.6 | Low | 59.4 | Low | 6 Ų | 6 | 69.7 Ų | 69.7 | 6% | 0.062 | 34% | 0.343 | C | S | . | . | trans | 66.3 | 55.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | H858 | G804-H858 WeakPolarHBondContact CA-ND1 3.32Š| ||
| 805 | H | 82.4 | Confident | 61.6 | Low | 5 Ų | 5 | 60.9 Ų | 60.9 | 2% | 0.023 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 167.5 | -179.6 | -66 | -177.5 | 0 | 0 | 0 | 112.1 | D691 P747 A783 Y803 F861 | D691-H805 IonicContact OD2-CE1 2.76Å; D691-H805 PolarHBondContact OD2-CE1 3.45Å; D691-H805 IonicContact OD2-NE2 2.73Å; P747-H805 HydrophobicContact CG-CB 4.48Å; P747-H805 WeakPolarHBondContact CG-CD2 3.3Å; P747-H805 VanDerWaalsContact CG-NE2 3.34Å; P747-H805 WeakPolarHBondContact CG-NE2 3.22Å; A783-H805 HydrophobicContact CB-CB 4.46Å; Y803-H805 WeakPolarHBondContact CB-CD2 3.44Å; Y803-H805 WeakPolarHBondContact CB-NE2 3.39Å; Y803-H805 AromaticContact CD2-NE2 3.9Å; Y803-H805 AromaticContact CG-NE2 3.77Å; H805-F861 WeakPolarHBondContact O-CD2 3.33Å |
| 806 | V | 86.5 | Confident | 63.6 | Low | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 127.2 | 172.1 | -175.7 | 0 | 0 | 0 | 0 | 110 | Y717 L741 K746 P747 R748 Q749 R862 I864 | Y717-V806 HydrophobicContact CE2-CG2 4.47Å; L741-V806 HydrophobicContact CD1-CG1 4.35Å; L741-V806 HydrophobicContact CD2-CB 3.82Å; L741-V806 HydrophobicContact CD2-CG1 3.89Å; L741-V806 HydrophobicContact CD2-CG2 3.69Å; K746-V806 HydrophobicContact CB-CG2 4.27Å; P747-V806 PolarHBondContact O-N 2.97Å; P747-V806 VanDerWaalsContact O-N 3.08Å; R748-V806 CarbonylContact C-O 3.52Å; R748-V806 WeakPolarHBondContact CA-O 3.37Å; R748-V806 WeakPolarHBondContact CB-O 3.44Å; Q749-V806 PolarHBondContact N-O 3.08Å; V806-R862 CarbonylContact C-O 3.56Å; V806-R862 WeakPolarHBondContact CA-O 3.41Å; V806-R862 HydrophobicContact CG1-CB 4.45Å; V806-R862 HydrophobicContact CG2-CB 4.4Å; V806-I864 HydrophobicContact CG1-CD1 3.83Å; V806-I864 HydrophobicContact CG1-CG1 3.8Å |
| 807 | L | 89.1 | Confident | 65.6 | Low | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 119.6 | 174.7 | 179.8 | 66.8 | 0 | 0 | 0 | 110.6 | Q749 I751 L780 A783 V809 F861 R862 M863 I864 | Q749-L807 HydrophobicContact CB-CD1 3.76Å; I751-L807 HydrophobicContact CD1-CD1 3.79Å; I751-L807 HydrophobicContact CD1-CD2 4.49Å; I751-L807 HydrophobicContact CG1-CD1 3.93Å; L780-L807 HydrophobicContact CB-CD2 3.9Å; L780-L807 HydrophobicContact CD1-CD2 3.91Å; L780-L807 HydrophobicContact CG-CD2 3.95Å; A783-L807 HydrophobicContact CB-CB 4.22Å; L807-V809 HydrophobicContact CD2-CG2 4.13Å; L807-V809 HydrophobicContact CG-CG2 4.02Å; L807-F861 HydrophobicContact CB-CE2 4Å; L807-F861 HydrophobicContact CB-CZ 4.37Å; L807-F861 HydrophobicContact CD2-CZ 4.49Å; L807-R862 PolarHBondContact N-O 3.19Å; L807-M863 HydrophobicContact CB-CG 4.25Å; L807-M863 HydrophobicContact CD2-CE 3.78Å; L807-M863 HydrophobicContact CD2-CG 4.42Å; L807-M863 CarbonylContact O-C 3.58Å; L807-M863 VanDerWaalsContact O-CA 3.28Å; L807-M863 WeakPolarHBondContact O-CA 3.41Å; L807-I864 PolarHBondContact O-N 3.26Å |
| 808 | V | 90.6 | Very high | 67.5 | Low | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.1 | 174.3 | -178 | 0 | 0 | 0 | 0 | 108.8 | L741 R748 Q749 Y750 I751 I864 L866 | L741-V808 HydrophobicContact CD1-CG2 3.8Å; R748-V808 HydrophobicContact CB-CG2 4.36Å; Q749-V808 PolarHBondContact O-N 2.93Å; Y750-V808 WeakPolarHBondContact CA-O 3.43Å; Y750-V808 HydrophobicContact CD2-CB 4.17Å; Y750-V808 HydrophobicContact CD2-CG1 3.98Å; Y750-V808 HydrophobicContact CE2-CG1 4.34Å; I751-V808 PolarHBondContact N-O 2.95Å; V808-I864 CarbonylContact C-O 3.58Å; V808-I864 WeakPolarHBondContact CA-O 3.42Å; V808-I864 HydrophobicContact CG2-CB 4.44Å; V808-L866 HydrophobicContact CG1-CD1 3.85Å; V808-L866 HydrophobicContact CG1-CG 4.3Å |
| 809 | V | 89.2 | Confident | 69.7 | Low | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 105.3 | -180 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | I751 L753 L807 A812 M863 I864 F865 L866 | I751-V809 WeakPolarHBondContact O-CA 3.45Å; L753-V809 HydrophobicContact CD1-CG1 3.36Å; L753-V809 HydrophobicContact CD2-CG1 4.35Å; L753-V809 HydrophobicContact CG-CG1 3.61Å; L807-V809 HydrophobicContact CD2-CG2 4.13Å; L807-V809 HydrophobicContact CG-CG2 4.02Å; V809-A812 HydrophobicContact CG1-CB 4.14Å; V809-M863 HydrophobicContact CG2-CE 3.88Å; V809-I864 PolarHBondContact N-O 2.82Å; V809-F865 HydrophobicContact CB-CD1 3.8Å; V809-F865 HydrophobicContact CB-CE1 4Å; V809-F865 HydrophobicContact CB-CG 4.4Å; V809-F865 HydrophobicContact CG1-CD1 3.91Å; V809-F865 HydrophobicContact CG1-CE1 3.94Å; V809-F865 HydrophobicContact CG2-CD1 4.35Å; V809-F865 HydrophobicContact CG2-CE1 4.12Å; V809-F865 HydrophobicContact CG2-CZ 4.45Å; V809-F865 CarbonylContact O-C 3.6Å; V809-F865 WeakPolarHBondContact O-CA 3.49Å; V809-L866 PolarHBondContact O-N 3.32Å |
| 810 | D | 90.5 | Very high | 72 | Confident | 15 Ų | 15 | 25.5 Ų | 25.5 | 8% | 0.08 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 152.7 | 179.5 | -157.8 | 3 | 0 | 0 | 0 | 112 | N734 Y750 I751 L753 A812 L866 | N734-D810 PolarHBondContact ND2-OD2 3.31Å; N734-D810 PolarHBondContact OD1-OD2 3.22Å; Y750-D810 HydrophobicContact CE2-CB 3.69Å; Y750-D810 VanDerWaalsContact OH-CB 3.25Å; Y750-D810 WeakPolarHBondContact OH-CB 3.36Å; Y750-D810 PolarHBondContact OH-OD2 3.32Å; I751-D810 PolarHBondContact O-N 2.59Å; L753-D810 PolarHBondContact N-O 3.18Å; D810-A812 PolarHBondContact O-N 3.3Å; D810-L866 HydrophobicContact CB-CD1 4.3Å |
| 811 | E | 87.4 | Confident | 74.2 | Confident | 33 Ų | 33 | 24.7 Ų | 24.7 | 15% | 0.154 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 52.4 | 37.5 | -179.2 | -52.3 | -163.7 | 136 | 0 | 0 | 114.3 | Q752 D813 K814 L866 | Q752-E811 HydrophobicContact CG-CG 4.24Å; Q752-E811 PolarHBondContact NE2-OE2 3.39Å; E811-D813 WeakPolarHBondContact CA-OD1 3.44Å; E811-D813 PolarHBondContact O-N 2.82Å; E811-D813 VanDerWaalsContact O-N 3.11Å; E811-K814 HydrophobicContact CB-CD 4.02Å; E811-K814 HydrophobicContact CB-CG 4.23Å; E811-K814 VanDerWaalsContact CD-CE 3.5Å; E811-K814 WeakPolarHBondContact O-CB 3.15Å; E811-K814 PolarHBondContact O-N 2.9Å; E811-K814 WeakPolarHBondContact OE1-CE 3.46Å; E811-K814 IonicContact OE1-NZ 3.12Å; E811-K814 PolarHBondContact OE1-NZ 3.12Å; E811-K814 WeakPolarHBondContact OE2-CE 3.34Å; E811-K814 IonicContact OE2-NZ 2.81Å; E811-K814 PolarHBondContact OE2-NZ 3.26Å; E811-L866 PolarHBondContact N-O 3.38Å; E811-L866 VanDerWaalsContact N-O 3.14Å |
| 812 | A | 82.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -62.6 | -22.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L753 V809 D810 K814 A815 F865 L866 F879 | L753-A812 HydrophobicContact CD1-CB 4.34Å; V809-A812 HydrophobicContact CG1-CB 4.14Å; D810-A812 PolarHBondContact O-N 3.3Å; A812-K814 VanDerWaalsContact C-N 3.26Å; A812-K814 PolarHBondContact O-N 2.81Å; A812-A815 WeakPolarHBondContact O-CB 3.28Å; A812-A815 PolarHBondContact O-N 2.99Å; A812-F865 HydrophobicContact CB-CD1 3.69Å; A812-F865 HydrophobicContact CB-CE1 4.43Å; A812-L866 PolarHBondContact N-O 3.09Å; A812-L866 VanDerWaalsContact N-O 3.12Å; A812-F879 HydrophobicContact CB-CD2 3.97Å; A812-F879 HydrophobicContact CB-CE2 3.56Å; A812-F879 HydrophobicContact CB-CZ 3.98Å |
| 813 | D | 80.3 | Confident | 77.6 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -68 | -18.5 | 172.7 | 53.8 | -36.5 | 0 | 0 | 0 | 114.3 | E811 A867 N868 F874 N877 | E811-D813 WeakPolarHBondContact CA-OD1 3.44Å; E811-D813 PolarHBondContact O-N 2.82Å; E811-D813 VanDerWaalsContact O-N 3.11Å; D813-A867 HydrophobicContact CB-CB 4.01Å; D813-N868 VanDerWaalsContact CG-N 3.31Å; D813-N868 WeakPolarHBondContact OD2-CA 3.2Å; D813-N868 WeakPolarHBondContact OD2-CB 3.46Å; D813-N868 PolarHBondContact OD2-N 2.9Å; D813-N868 PolarHBondContact OD2-ND2 2.82Å; D813-F874 HydrophobicContact CB-CE1 3.85Å; D813-F874 HydrophobicContact CB-CZ 4.02Å; D813-F874 VanDerWaalsContact CG-CZ 3.49Å; D813-F874 WeakPolarHBondContact OD2-CE1 3.24Å; D813-F874 WeakPolarHBondContact OD2-CZ 3.39Å; D813-N877 PolarHBondContact O-N 2.93Å |
| 814 | K | 81.2 | Confident | 78.6 | Confident | 48 Ų | 48 | 15.2 Ų | 15.2 | 21% | 0.209 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -86.4 | -18.9 | 174.9 | -62.1 | -173.2 | -171.7 | 171.1 | 0 | 113 | R755 E811 A812 F874 | R755-K814 VanDerWaalsContact CA-O 3.22Å; R755-K814 WeakPolarHBondContact CA-O 3.36Å; R755-K814 HydrophobicContact CG-CB 4.28Å; R755-K814 WeakPolarHBondContact CG-O 3.41Å; R755-K814 PolarHBondContact N-O 3.29Å; E811-K814 HydrophobicContact CB-CD 4.02Å; E811-K814 HydrophobicContact CB-CG 4.23Å; E811-K814 VanDerWaalsContact CD-CE 3.5Å; E811-K814 WeakPolarHBondContact O-CB 3.15Å; E811-K814 PolarHBondContact O-N 2.9Å; E811-K814 WeakPolarHBondContact OE1-CE 3.46Å; E811-K814 IonicContact OE1-NZ 3.12Å; E811-K814 PolarHBondContact OE1-NZ 3.12Å; E811-K814 WeakPolarHBondContact OE2-CE 3.34Å; E811-K814 IonicContact OE2-NZ 2.81Å; E811-K814 PolarHBondContact OE2-NZ 3.26Å; A812-K814 VanDerWaalsContact C-N 3.26Å; A812-K814 PolarHBondContact O-N 2.81Å; K814-F874 HydrophobicContact CG-CZ 4.31Å |
| 815 | A | 75.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -65.9 | 148.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L753 A812 V819 I820 N877 | L753-A815 HydrophobicContact CB-CB 4Å; L753-A815 HydrophobicContact CD1-CB 3.75Å; L753-A815 HydrophobicContact CG-CB 4.46Å; A812-A815 WeakPolarHBondContact O-CB 3.28Å; A812-A815 PolarHBondContact O-N 2.99Å; A815-V819 HydrophobicContact CB-CG1 4.03Å; A815-I820 HydrophobicContact CB-CD1 4.14Å; A815-I820 HydrophobicContact CB-CG1 3.9Å; A815-I820 WeakPolarHBondContact O-CD1 3.23Å; A815-N877 PolarHBondContact O-ND2 3.2Å |
| 816 | P | 70.6 | Confident | 78.6 | Confident | 25 Ų | 25 | 15.7 Ų | 15.7 | 16% | 0.162 | 8% | 0.083 | C | C | . | . | trans | -68.2 | 154.4 | 173.1 | 29.7 | -33.4 | 0 | 0 | 0 | 111.7 | T757 N818 V819 I820 N877 | T757-P816 VanDerWaalsContact O-CG 3.22Å; T757-P816 WeakPolarHBondContact O-CG 3.12Å; P816-N818 VanDerWaalsContact C-N 3.3Å; P816-N818 WeakPolarHBondContact CB-OD1 3.39Å; P816-N818 VanDerWaalsContact CG-OD1 3.28Å; P816-N818 WeakPolarHBondContact CG-OD1 3.35Å; P816-N818 PolarHBondContact O-N 2.97Å; P816-V819 HydrophobicContact CG-CB 4.1Å; P816-V819 HydrophobicContact CG-CG2 3.88Å; P816-V819 WeakPolarHBondContact O-CB 3.28Å; P816-V819 PolarHBondContact O-N 2.68Å; P816-I820 WeakPolarHBondContact O-CG1 3.45Å; P816-I820 PolarHBondContact O-N 3.37Å; P816-N877 WeakPolarHBondContact CA-ND2 3.3Å | ||
| 817 | T | 67.3 | Low | 78.3 | Confident | 69 Ų | 69 | 16.6 Ų | 16.6 | 42% | 0.423 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -60 | -38 | -173.3 | -48.8 | 0 | 0 | 0 | 0 | 112.8 | V819 I820 C821 V882 | T817-V819 PolarHBondContact O-N 3.37Å; T817-I820 PolarHBondContact O-N 3.24Å; T817-C821 WeakPolarHBondContact O-CB 3.46Å; T817-C821 PolarHBondContact O-N 3.42Å; T817-C821 PolarHBondContact O-SG 3.23Å; T817-V882 HydrophobicContact CG2-CG2 4.25Å |
| 818 | N | 65 | Low | 77.4 | Confident | 22 Ų | 22 | 19.1 Ų | 19.1 | 12% | 0.118 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.8 | -43.1 | 176.7 | 58.8 | -12.7 | 0 | 0 | 0 | 112.6 | Y410 D412 P816 C821 I822 | Y410-N818 HydrophobicContact CD2-CB 4.4Å; Y410-N818 HydrophobicContact CG-CB 4.44Å; D412-N818 PolarHBondContact OD2-ND2 2.73Å; P816-N818 VanDerWaalsContact C-N 3.3Å; P816-N818 WeakPolarHBondContact CB-OD1 3.39Å; P816-N818 VanDerWaalsContact CG-OD1 3.28Å; P816-N818 WeakPolarHBondContact CG-OD1 3.35Å; P816-N818 PolarHBondContact O-N 2.97Å; N818-C821 PolarHBondContact O-N 2.73Å; N818-I822 PolarHBondContact O-N 2.75Å |
| 819 | V | 73.4 | Confident | 76.3 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63 | -45.7 | 175.2 | 157 | 0 | 0 | 0 | 0 | 111.3 | T757 V759 L762 A815 P816 T817 C821 I822 L823 | T757-V819 VanDerWaalsContact O-CG2 3.25Å; T757-V819 WeakPolarHBondContact O-CG2 3.18Å; V759-V819 HydrophobicContact CG2-CG2 4.45Å; L762-V819 HydrophobicContact CD1-CB 4.18Å; L762-V819 HydrophobicContact CD1-CG1 3.22Å; L762-V819 HydrophobicContact CD1-CG2 4.02Å; A815-V819 HydrophobicContact CB-CG1 4.03Å; P816-V819 HydrophobicContact CG-CB 4.1Å; P816-V819 HydrophobicContact CG-CG2 3.88Å; P816-V819 WeakPolarHBondContact O-CB 3.28Å; P816-V819 PolarHBondContact O-N 2.68Å; T817-V819 PolarHBondContact O-N 3.37Å; V819-C821 VanDerWaalsContact C-N 3.29Å; V819-C821 PolarHBondContact O-N 3.31Å; V819-I822 PolarHBondContact O-N 3.42Å; V819-L823 PolarHBondContact O-N 3.4Å |
| 820 | I | 76.9 | Confident | 75.4 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 179.5 | -64.5 | 169.8 | 0 | 0 | 0 | 110.4 | A815 P816 T817 I822 L823 R824 F879 V882 L883 | A815-I820 HydrophobicContact CB-CD1 4.14Å; A815-I820 HydrophobicContact CB-CG1 3.9Å; A815-I820 WeakPolarHBondContact O-CD1 3.23Å; P816-I820 WeakPolarHBondContact O-CG1 3.45Å; P816-I820 PolarHBondContact O-N 3.37Å; T817-I820 PolarHBondContact O-N 3.24Å; I820-I822 VanDerWaalsContact C-N 3.3Å; I820-I822 PolarHBondContact O-N 2.96Å; I820-L823 PolarHBondContact O-N 3.42Å; I820-R824 PolarHBondContact O-N 3.12Å; I820-R824 VanDerWaalsContact O-N 3.12Å; I820-F879 HydrophobicContact CD1-CB 3.96Å; I820-F879 HydrophobicContact CD1-CD2 3.94Å; I820-F879 HydrophobicContact CD1-CG 4.47Å; I820-F879 HydrophobicContact CG1-CD2 4.2Å; I820-F879 HydrophobicContact CG2-CD2 4.12Å; I820-V882 HydrophobicContact CG2-CB 3.8Å; I820-V882 HydrophobicContact CG2-CG1 3.67Å; I820-L883 HydrophobicContact CG2-CB 4.47Å; I820-L883 HydrophobicContact CG2-CD1 3.56Å; I820-L883 HydrophobicContact CG2-CG 3.57Å |
| 821 | C | 71.2 | Confident | 74.5 | Confident | 16 Ų | 16 | 21.9 Ų | 21.9 | 11% | 0.108 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.2 | -31.9 | 177.5 | -76.9 | 0 | 0 | 0 | 0 | 113.7 | M408 T817 N818 V819 R824 | M408-C821 HydrophobicContact CE-CB 3.8Å; T817-C821 WeakPolarHBondContact O-CB 3.46Å; T817-C821 PolarHBondContact O-N 3.42Å; T817-C821 PolarHBondContact O-SG 3.23Å; N818-C821 PolarHBondContact O-N 2.73Å; V819-C821 VanDerWaalsContact C-N 3.29Å; V819-C821 PolarHBondContact O-N 3.31Å; C821-R824 WeakPolarHBondContact O-CB 3.47Å; C821-R824 PolarHBondContact O-N 3.24Å |
| 822 | I | 71.8 | Confident | 73.8 | Confident | 17 Ų | 17 | 20.5 Ų | 20.5 | 9% | 0.087 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -80 | -36.7 | 179.3 | -62.2 | 178.4 | 0 | 0 | 0 | 111 | Y410 V759 N818 V819 I820 R824 T825 L826 M832 | Y410-I822 HydrophobicContact CD1-CD1 4.22Å; Y410-I822 HydrophobicContact CE1-CD1 4.16Å; V759-I822 HydrophobicContact CB-CD1 3.76Å; V759-I822 HydrophobicContact CG1-CD1 3.15Å; V759-I822 HydrophobicContact CG2-CD1 3.24Å; V759-I822 HydrophobicContact CG2-CG1 4.48Å; N818-I822 PolarHBondContact O-N 2.75Å; V819-I822 PolarHBondContact O-N 3.42Å; I820-I822 VanDerWaalsContact C-N 3.3Å; I820-I822 PolarHBondContact O-N 2.96Å; I822-R824 PolarHBondContact O-N 3.49Å; I822-T825 PolarHBondContact O-N 3.15Å; I822-T825 VanDerWaalsContact O-N 3.15Å; I822-T825 PolarHBondContact O-OG1 2.94Å; I822-L826 PolarHBondContact O-N 3.21Å; I822-M832 HydrophobicContact CG2-CE 3.37Å; I822-M832 HydrophobicContact CG2-CG 3.97Å; I822-M832 HydrophobicContact CG2-SD 4.16Å |
| 823 | L | 78.2 | Confident | 73.1 | Confident | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -29.4 | 170.3 | -63.9 | 179.9 | 0 | 0 | 0 | 111.4 | L753 L780 V819 I820 L826 L827 M863 F865 L883 | L753-L823 HydrophobicContact CD1-CD1 4.42Å; L780-L823 HydrophobicContact CD1-CD2 3.35Å; V819-L823 PolarHBondContact O-N 3.4Å; I820-L823 PolarHBondContact O-N 3.42Å; L823-L826 PolarHBondContact O-N 3.31Å; L823-L827 WeakPolarHBondContact O-CD1 3.12Å; L823-L827 WeakPolarHBondContact O-CG 3.26Å; L823-L827 PolarHBondContact O-N 3.35Å; L823-M863 HydrophobicContact CD2-CE 4.07Å; L823-F865 HydrophobicContact CB-CZ 4.45Å; L823-F865 HydrophobicContact CD1-CE1 3.81Å; L823-F865 HydrophobicContact CD1-CZ 4.06Å; L823-L883 HydrophobicContact CB-CD1 4.28Å |
| 824 | R | 75.9 | Confident | 72.5 | Confident | 47 Ų | 47 | 23.8 Ų | 23.8 | 18% | 0.177 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 174.3 | -168 | -176.4 | 163.1 | 180 | -8.8 | 112.6 | I820 C821 I822 L826 L827 E828 L883 L886 | I820-R824 PolarHBondContact O-N 3.12Å; I820-R824 VanDerWaalsContact O-N 3.12Å; C821-R824 WeakPolarHBondContact O-CB 3.47Å; C821-R824 PolarHBondContact O-N 3.24Å; I822-R824 PolarHBondContact O-N 3.49Å; R824-L826 VanDerWaalsContact C-N 3.27Å; R824-L826 PolarHBondContact O-N 3.5Å; R824-L827 PolarHBondContact O-N 3.43Å; R824-L827 VanDerWaalsContact O-N 3.16Å; R824-E828 IonicContact CZ-OE2 3.12Å; R824-E828 IonicContact NE-OE2 3.19Å; R824-E828 PolarHBondContact NE-OE2 2.83Å; R824-E828 IonicContact NH2-OE1 3.88Å; R824-E828 IonicContact NH2-OE2 3.05Å; R824-E828 PolarHBondContact NH2-OE2 2.55Å; R824-E828 VanDerWaalsContact O-CB 3.27Å; R824-E828 WeakPolarHBondContact O-CB 3.41Å; R824-E828 PolarHBondContact O-N 3.21Å; R824-L883 VanDerWaalsContact CA-CD2 3.49Å; R824-L883 HydrophobicContact CB-CD2 3.51Å; R824-L883 HydrophobicContact CG-CD2 3.81Å; R824-L886 HydrophobicContact CG-CD1 3.53Å |
| 825 | T | 70.8 | Confident | 71.4 | Confident | 19 Ų | 19 | 23 Ų | 23 | 12% | 0.117 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.5 | -37.6 | -177.8 | 68.4 | 0 | 0 | 0 | 0 | 111.4 | M408 I822 N829 S831 | M408-T825 HydrophobicContact CB-CG2 3.61Å; M408-T825 HydrophobicContact CG-CG2 3.67Å; M408-T825 HydrophobicContact SD-CG2 4.21Å; I822-T825 PolarHBondContact O-N 3.15Å; I822-T825 VanDerWaalsContact O-N 3.15Å; I822-T825 PolarHBondContact O-OG1 2.94Å; T825-N829 WeakPolarHBondContact O-CB 3.28Å; T825-N829 PolarHBondContact O-N 3.46Å; T825-S831 CarbonylContact C-O 3.59Å; T825-S831 WeakPolarHBondContact CB-O 3.25Å; T825-S831 PolarHBondContact OG1-O 2.83Å; T825-S831 VanDerWaalsContact OG1-O 3.09Å |
| 826 | L | 77.4 | Confident | 70.7 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 174.9 | -174.9 | 65.1 | 0 | 0 | 0 | 111.4 | L780 I822 L823 R824 G830 S831 M832 I840 M857 F861 M863 | L780-L826 HydrophobicContact CD1-CD2 4.25Å; L780-L826 HydrophobicContact CD2-CD2 4.24Å; L780-L826 HydrophobicContact CG-CD2 4.34Å; I822-L826 PolarHBondContact O-N 3.21Å; L823-L826 PolarHBondContact O-N 3.31Å; R824-L826 VanDerWaalsContact C-N 3.27Å; R824-L826 PolarHBondContact O-N 3.5Å; L826-G830 WeakPolarHBondContact O-CA 3.47Å; L826-G830 PolarHBondContact O-N 2.85Å; L826-S831 PolarHBondContact N-O 3.49Å; L826-M832 HydrophobicContact CB-CB 4.3Å; L826-M832 HydrophobicContact CB-SD 4.32Å; L826-M832 HydrophobicContact CD1-CB 4.11Å; L826-M832 HydrophobicContact CD2-SD 4.21Å; L826-I840 HydrophobicContact CD1-CD1 4.35Å; L826-I840 HydrophobicContact CD1-CG2 3.95Å; L826-M857 HydrophobicContact CD1-SD 4.09Å; L826-F861 HydrophobicContact CD2-CE1 4.17Å; L826-F861 HydrophobicContact CD2-CZ 4.38Å; L826-F861 HydrophobicContact CG-CE1 4.5Å; L826-M863 HydrophobicContact CD2-SD 4.25Å |
| 827 | L | 78.4 | Confident | 70.1 | Confident | 19 Ų | 19 | 24.4 Ų | 24.4 | 10% | 0.099 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.9 | -38.9 | 179.4 | -68.5 | 166.6 | 0 | 0 | 0 | 113.5 | H722 L823 R824 M863 F865 L883 L886 L887 | H722-L827 HydrophobicContact CB-CD2 3.79Å; H722-L827 WeakPolarHBondContact CD2-CD2 3.28Å; L823-L827 WeakPolarHBondContact O-CD1 3.12Å; L823-L827 WeakPolarHBondContact O-CG 3.26Å; L823-L827 PolarHBondContact O-N 3.35Å; R824-L827 PolarHBondContact O-N 3.43Å; R824-L827 VanDerWaalsContact O-N 3.16Å; L827-M863 HydrophobicContact CD2-CB 4.33Å; L827-M863 HydrophobicContact CD2-CG 4.39Å; L827-M863 HydrophobicContact CD2-SD 3.64Å; L827-M863 HydrophobicContact CG-SD 4.17Å; L827-F865 HydrophobicContact CD1-CE2 3.81Å; L827-F865 HydrophobicContact CD1-CZ 3.96Å; L827-F865 HydrophobicContact CD2-CE2 4.28Å; L827-L883 HydrophobicContact CD1-CD1 4.26Å; L827-L883 HydrophobicContact CD1-CD2 3.78Å; L827-L886 HydrophobicContact CB-CD1 4.09Å; L827-L887 HydrophobicContact CD1-CD2 3.99Å; L827-L887 HydrophobicContact CD2-CD2 4.18Å |
| 828 | E | 71.6 | Confident | 70.2 | Confident | 54 Ų | 54 | 23.4 Ų | 23.4 | 25% | 0.252 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -80 | -47.9 | -175.1 | -167.2 | 169.9 | 167 | 0 | 0 | 111.3 | R824 L886 | R824-E828 IonicContact CZ-OE2 3.12Å; R824-E828 IonicContact NE-OE2 3.19Å; R824-E828 PolarHBondContact NE-OE2 2.83Å; R824-E828 IonicContact NH2-OE1 3.88Å; R824-E828 IonicContact NH2-OE2 3.05Å; R824-E828 PolarHBondContact NH2-OE2 2.55Å; R824-E828 VanDerWaalsContact O-CB 3.27Å; R824-E828 WeakPolarHBondContact O-CB 3.41Å; R824-E828 PolarHBondContact O-N 3.21Å; E828-L886 HydrophobicContact CB-CD1 3.9Å; E828-L886 HydrophobicContact CB-CD2 4.31Å; E828-L886 HydrophobicContact CG-CD2 4.2Å |
| 829 | N | 67.8 | Low | 70.4 | Confident | 53 Ų | 53 | 25.3 Ų | 25.3 | 28% | 0.283 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -110.9 | -6.1 | -170.8 | -61.7 | -22.6 | 0 | 0 | 0 | 113.3 | T825 S831 P842 | T825-N829 WeakPolarHBondContact O-CB 3.28Å; T825-N829 PolarHBondContact O-N 3.46Å; N829-S831 PolarHBondContact O-N 3.32Å; N829-P842 WeakPolarHBondContact O-CG 3.15Å |
| 830 | G | 70 | Confident | 70.4 | Confident | 8 Ų | 8 | 25.3 Ų | 25.3 | 8% | 0.082 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 63.5 | 21.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L826 V841 P842 M857 | L826-G830 WeakPolarHBondContact O-CA 3.47Å; L826-G830 PolarHBondContact O-N 2.85Å; G830-V841 CarbonylContact O-C 3.49Å; G830-P842 WeakPolarHBondContact O-CD 3.24Å; G830-M857 VanDerWaalsContact CA-CE 3.45Å |
| 831 | S | 70.2 | Confident | 70.1 | Confident | 16 Ų | 16 | 25.8 Ų | 25.8 | 11% | 0.112 | 13% | 0.132 | C | C | . | . | trans | -135.4 | 144.3 | -177.8 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | T825 L826 N829 I840 | T825-S831 CarbonylContact C-O 3.59Å; T825-S831 WeakPolarHBondContact CB-O 3.25Å; T825-S831 PolarHBondContact OG1-O 2.83Å; T825-S831 VanDerWaalsContact OG1-O 3.09Å; L826-S831 PolarHBondContact N-O 3.49Å; N829-S831 PolarHBondContact O-N 3.32Å; S831-I840 CarbonylContact C-O 3.58Å; S831-I840 WeakPolarHBondContact CA-O 3.41Å; S831-I840 WeakPolarHBondContact CB-O 3.47Å | ||
| 832 | M | 72.6 | Confident | 70 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 132.6 | -177 | -175 | 179.3 | 175.1 | 0 | 0 | 109.2 | T763 L780 I822 L826 I840 | T763-M832 HydrophobicContact CG2-CE 3.19Å; L780-M832 HydrophobicContact CD2-CE 4.12Å; L780-M832 HydrophobicContact CD2-SD 3.81Å; I822-M832 HydrophobicContact CG2-CE 3.37Å; I822-M832 HydrophobicContact CG2-CG 3.97Å; I822-M832 HydrophobicContact CG2-SD 4.16Å; L826-M832 HydrophobicContact CB-CB 4.3Å; L826-M832 HydrophobicContact CB-SD 4.32Å; L826-M832 HydrophobicContact CD1-CB 4.11Å; L826-M832 HydrophobicContact CD2-SD 4.21Å; M832-I840 HydrophobicContact CB-CB 4.27Å; M832-I840 HydrophobicContact CB-CD1 4.34Å; M832-I840 PolarHBondContact N-O 2.87Å; M832-I840 VanDerWaalsContact N-O 3.09Å; M832-I840 PolarHBondContact O-N 2.93Å |
| 833 | F | 68.8 | Low | 69.5 | Low | 67 Ų | 67 | 31.2 Ų | 31.2 | 29% | 0.294 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 133.1 | 170.8 | -75.9 | -86.1 | 0 | 0 | 0 | 109.5 | V405 S406 P436 R839 | V405-F833 HydrophobicContact CG1-CZ 4.33Å; S406-F833 WeakPolarHBondContact O-CE2 3.49Å; P436-F833 HydrophobicContact CB-CE1 4.09Å; P436-F833 HydrophobicContact CB-CZ 3.94Å; P436-F833 HydrophobicContact CG-CD1 3.78Å; P436-F833 HydrophobicContact CG-CE1 3.44Å; P436-F833 VanDerWaalsContact CG-CE1 3.44Å; P436-F833 HydrophobicContact CG-CE2 4.27Å; P436-F833 HydrophobicContact CG-CG 4.32Å; P436-F833 HydrophobicContact CG-CZ 3.71Å; F833-R839 HydrophobicContact CD1-CB 4.29Å; F833-R839 HydrophobicContact CD1-CG 4.11Å; F833-R839 HydrophobicContact CE1-CB 4.3Å; F833-R839 HydrophobicContact CE1-CG 3.95Å; F833-R839 HydrophobicContact CZ-CG 4.19Å |
| 834 | L | 68.3 | Low | 68.5 | Low | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | trans | -96.4 | 147.7 | 175.5 | -55.9 | 180 | 0 | 0 | 0 | 109.6 | T763 V781 D836 G837 R838 I840 I855 | T763-L834 HydrophobicContact CG2-CD2 3.57Å; V781-L834 HydrophobicContact CG1-CD1 3.92Å; V781-L834 HydrophobicContact CG2-CD1 3.77Å; V781-L834 HydrophobicContact CG2-CD2 3.64Å; V781-L834 HydrophobicContact CG2-CG 4.39Å; L834-D836 WeakPolarHBondContact CB-OD1 3.19Å; L834-D836 PolarHBondContact O-N 3.24Å; L834-D836 VanDerWaalsContact O-N 3.11Å; L834-G837 PolarHBondContact O-N 3.42Å; L834-R838 HydrophobicContact CB-CB 4.42Å; L834-R838 VanDerWaalsContact CB-O 3.29Å; L834-R838 WeakPolarHBondContact CB-O 3.48Å; L834-R838 HydrophobicContact CD1-CB 3.94Å; L834-R838 PolarHBondContact N-O 3.44Å; L834-I840 HydrophobicContact CD1-CG1 4.36Å; L834-I840 HydrophobicContact CD2-CD1 4.19Å; L834-I840 HydrophobicContact CD2-CG1 4.49Å; L834-I840 HydrophobicContact CG-CG1 4.48Å; L834-I855 HydrophobicContact CD1-CD1 3.7Å | ||
| 835 | P | 58.3 | Low | 67.2 | Low | 32 Ų | 32 | 36.7 Ų | 36.7 | 21% | 0.208 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.8 | -179.8 | -19.5 | 30.6 | 0 | 0 | 0 | 114.5 | R423 Q760 T763 | R423-P835 PolarHBondContact NE-O 2.87Å; R423-P835 VanDerWaalsContact NH2-C 3.28Å; R423-P835 PolarHBondContact NH2-O 2.77Å; Q760-P835 HydrophobicContact CG-CB 3.97Å; Q760-P835 HydrophobicContact CG-CG 3.75Å; T763-P835 VanDerWaalsContact CB-CD 3.43Å; T763-P835 WeakPolarHBondContact OG1-CD 3.47Å; T763-P835 WeakPolarHBondContact OG1-CG 3.14Å |
| 836 | D | 60.6 | Low | 65.9 | Low | 34 Ų | 34 | 36.4 Ų | 36.4 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 14.8 | 173.7 | 72.1 | -21.6 | 0 | 0 | 0 | 112.6 | R423 V764 L834 R838 | R423-D836 PolarHBondContact NH1-O 3.04Å; R423-D836 VanDerWaalsContact NH2-C 3.26Å; V764-D836 HydrophobicContact CG2-CB 4.14Å; L834-D836 WeakPolarHBondContact CB-OD1 3.19Å; L834-D836 PolarHBondContact O-N 3.24Å; L834-D836 VanDerWaalsContact O-N 3.11Å; D836-R838 PolarHBondContact O-N 3.12Å; D836-R838 IonicContact OD1-NE 2.72Å; D836-R838 IonicContact OD1-NH2 2.54Å; D836-R838 IonicContact OD2-CZ 2.71Å; D836-R838 IonicContact OD2-NE 3.42Å; D836-R838 PolarHBondContact OD2-NE 2.71Å; D836-R838 IonicContact OD2-NH2 3.42Å; D836-R838 PolarHBondContact OD2-NH2 3.17Å |
| 837 | G | 56.9 | Low | 64.2 | Low | 19 Ų | 19 | 43 Ų | 43 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 88.5 | -16.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113 | E433 L834 | E433-G837 VanDerWaalsContact OE1-CA 3.29Å; E433-G837 WeakPolarHBondContact OE1-CA 3.24Å; L834-G837 PolarHBondContact O-N 3.42Å |
| 838 | R | 69.7 | Low | 62.5 | Low | 48 Ų | 48 | 49.7 Ų | 49.7 | 18% | 0.181 | 27% | 0.271 | C | S | . | . | trans | -62.6 | 150.3 | 169.8 | -67.4 | -175 | -63.7 | 158.7 | 2.4 | 110.3 | D777 L834 D836 E853 I855 | D777-R838 IonicContact OD1-CZ 2.64Å; D777-R838 VanDerWaalsContact OD1-CZ 3.3Å; D777-R838 IonicContact OD1-NH1 3.24Å; D777-R838 PolarHBondContact OD1-NH1 3.38Å; D777-R838 VanDerWaalsContact OD1-NH1 3.14Å; D777-R838 IonicContact OD1-NH2 3.4Å; D777-R838 PolarHBondContact OD1-NH2 2.72Å; D777-R838 IonicContact OD2-CZ 3.44Å; D777-R838 IonicContact OD2-NH1 3.44Å; D777-R838 PolarHBondContact OD2-NH1 3.19Å; D777-R838 IonicContact OD2-NH2 3.85Å; L834-R838 HydrophobicContact CB-CB 4.42Å; L834-R838 VanDerWaalsContact CB-O 3.29Å; L834-R838 WeakPolarHBondContact CB-O 3.48Å; L834-R838 HydrophobicContact CD1-CB 3.94Å; L834-R838 PolarHBondContact N-O 3.44Å; D836-R838 PolarHBondContact O-N 3.12Å; D836-R838 IonicContact OD1-NE 2.72Å; D836-R838 IonicContact OD1-NH2 2.54Å; D836-R838 IonicContact OD2-CZ 2.71Å; D836-R838 IonicContact OD2-NE 3.42Å; D836-R838 PolarHBondContact OD2-NE 2.71Å; D836-R838 IonicContact OD2-NH2 3.42Å; D836-R838 PolarHBondContact OD2-NH2 3.17Å; R838-E853 CarbonylContact C-O 3.28Å; R838-E853 WeakPolarHBondContact CA-O 3.39Å; R838-I855 HydrophobicContact CB-CD1 3.96Å | ||
| 839 | R | 70 | Confident | 61 | Low | 63 Ų | 63 | 52.9 Ų | 52.9 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.3 | 179.7 | -174.4 | -175 | 178 | -175.2 | -3.2 | 110.1 | F833 V841 E853 I855 | F833-R839 HydrophobicContact CD1-CB 4.29Å; F833-R839 HydrophobicContact CD1-CG 4.11Å; F833-R839 HydrophobicContact CE1-CB 4.3Å; F833-R839 HydrophobicContact CE1-CG 3.95Å; F833-R839 HydrophobicContact CZ-CG 4.19Å; R839-V841 HydrophobicContact CG-CG1 3.89Å; R839-E853 PolarHBondContact N-O 2.89Å; R839-I855 PolarHBondContact O-N 2.81Å |
| 840 | I | 73.4 | Confident | 60 | Low | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129.9 | 166.7 | -55.8 | 177.1 | 0 | 0 | 0 | 107.8 | A784 L826 S831 M832 L834 I855 M857 | A784-I840 HydrophobicContact CB-CD1 4.04Å; L826-I840 HydrophobicContact CD1-CD1 4.35Å; L826-I840 HydrophobicContact CD1-CG2 3.95Å; S831-I840 CarbonylContact C-O 3.58Å; S831-I840 WeakPolarHBondContact CA-O 3.41Å; S831-I840 WeakPolarHBondContact CB-O 3.47Å; M832-I840 HydrophobicContact CB-CB 4.27Å; M832-I840 HydrophobicContact CB-CD1 4.34Å; M832-I840 PolarHBondContact N-O 2.87Å; M832-I840 VanDerWaalsContact N-O 3.09Å; M832-I840 PolarHBondContact O-N 2.93Å; L834-I840 HydrophobicContact CD1-CG1 4.36Å; L834-I840 HydrophobicContact CD2-CD1 4.19Å; L834-I840 HydrophobicContact CD2-CG1 4.49Å; L834-I840 HydrophobicContact CG-CG1 4.48Å; I840-I855 CarbonylContact C-O 3.52Å; I840-I855 VanDerWaalsContact CA-O 3.31Å; I840-I855 WeakPolarHBondContact CA-O 2.78Å; I840-I855 HydrophobicContact CG1-CB 4.27Å; I840-I855 HydrophobicContact CG1-CD1 4.47Å; I840-I855 HydrophobicContact CG1-CG2 4.21Å; I840-M857 HydrophobicContact CG2-CB 3.89Å; I840-M857 HydrophobicContact CG2-CG 4.43Å |
| 841 | V | 70.5 | Confident | 59.1 | Low | 12 Ų | 12 | 59.4 Ų | 59.4 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 155.5 | 177.4 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | G830 R839 I854 I855 M857 | G830-V841 CarbonylContact O-C 3.49Å; R839-V841 HydrophobicContact CG-CG1 3.89Å; V841-I854 HydrophobicContact CB-CG2 4.35Å; V841-I854 HydrophobicContact CG1-CG2 4.06Å; V841-I854 HydrophobicContact CG2-CG2 3.35Å; V841-I855 PolarHBondContact N-O 2.71Å; V841-M857 WeakPolarHBondContact O-CB 3.17Å; V841-M857 PolarHBondContact O-N 3.13Å |
| 842 | P | 67.8 | Low | 58.4 | Low | 41 Ų | 41 | 66.2 Ų | 66.2 | 27% | 0.266 | 36% | 0.357 | S | S | . | . | trans | -58.8 | 148.5 | 175.1 | -24.5 | 35.1 | 0 | 0 | 0 | 112.7 | N829 G830 S844 A845 | N829-P842 WeakPolarHBondContact O-CG 3.15Å; G830-P842 WeakPolarHBondContact O-CD 3.24Å; P842-S844 PolarHBondContact O-N 3.48Å; P842-S844 VanDerWaalsContact O-N 3.15Å; P842-A845 PolarHBondContact O-N 2.82Å | ||
| 843 | Y | 62.5 | Low | 58 | Low | 107 Ų | 107 | 71.6 Ų | 71.6 | 42% | 0.42 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -50.1 | -41.1 | 179.1 | -177.1 | -95.7 | 0 | 0 | 0 | 113.6 | F786 A845 A846 P859 | F786-Y843 HydrophobicContact CD1-CD2 4.49Å; F786-Y843 HydrophobicContact CD1-CE2 4.15Å; F786-Y843 AromaticContact CE1-CE2 3.97Å; F786-Y843 HydrophobicContact CE1-CE2 3.97Å; F786-Y843 HydrophobicContact CZ-CE2 4.44Å; Y843-A845 PolarHBondContact O-N 3.3Å; Y843-A846 WeakPolarHBondContact O-CB 3.35Å; Y843-A846 PolarHBondContact O-N 2.75Å; Y843-A846 VanDerWaalsContact O-N 3.11Å; Y843-P859 HydrophobicContact CD2-CG 4.41Å; Y843-P859 HydrophobicContact CG-CG 4.48Å |
| 844 | S | 56.1 | Low | 57.9 | Low | 102 Ų | 102 | 71.6 Ų | 71.6 | 71% | 0.713 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -66.7 | -17.4 | -178.7 | 35.7 | 0 | 0 | 0 | 0 | 114.7 | P842 | P842-S844 PolarHBondContact O-N 3.48Å; P842-S844 VanDerWaalsContact O-N 3.15Å |
| 845 | A | 49.2 | Very low | 57.9 | Low | 63 Ų | 63 | 71.9 Ų | 71.9 | 52% | 0.521 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -92.5 | -9.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P842 Y843 D847 | P842-A845 PolarHBondContact O-N 2.82Å; Y843-A845 PolarHBondContact O-N 3.3Å; A845-D847 VanDerWaalsContact C-N 3.35Å; A845-D847 PolarHBondContact O-N 3.25Å |
| 846 | A | 44.7 | Very low | 58.4 | Low | 13 Ų | 13 | 70.3 Ų | 70.3 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 5.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y843 E848 L850 | Y843-A846 WeakPolarHBondContact O-CB 3.35Å; Y843-A846 PolarHBondContact O-N 2.75Å; Y843-A846 VanDerWaalsContact O-N 3.11Å; A846-E848 VanDerWaalsContact C-N 3.3Å; A846-E848 PolarHBondContact O-N 3.09Å; A846-L850 HydrophobicContact CB-CD1 4.42Å; A846-L850 HydrophobicContact CB-CD2 3.98Å |
| 847 | D | 41.2 | Very low | 59.1 | Low | 143 Ų | 143 | 70.2 Ų | 70.2 | 77% | 0.765 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -16.5 | -179.5 | -83.5 | -24 | 0 | 0 | 0 | 113.5 | A845 | A845-D847 VanDerWaalsContact C-N 3.35Å; A845-D847 PolarHBondContact O-N 3.25Å |
| 848 | E | 41.6 | Very low | 60 | Low | 158 Ų | 158 | 70.6 Ų | 70.6 | 74% | 0.738 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -71.1 | 148.2 | 166.8 | -73.7 | -161.3 | 168.6 | 0 | 0 | 110.6 | A846 L850 | A846-E848 VanDerWaalsContact C-N 3.3Å; A846-E848 PolarHBondContact O-N 3.09Å; E848-L850 PolarHBondContact O-N 3.49Å |
| 849 | P | 40.9 | Very low | 60.1 | Low | 121 Ų | 121 | 71.5 Ų | 71.5 | 79% | 0.786 | 38% | 0.383 | S | S | * | . | trans | -55.5 | 100.7 | 179.2 | 22.7 | -32.4 | 0 | 0 | 0 | 109.7 | K851 | P849-K851 PolarHBondContact O-N 2.9Š| ||
| 850 | L | 46.6 | Very low | 60.5 | Low | 52 Ų | 52 | 72.6 Ų | 72.6 | 27% | 0.272 | 39% | 0.39 | S | S | . | . | trans | -53.2 | 110.2 | -176.4 | -71.4 | 147.7 | 0 | 0 | 0 | 108 | A846 E848 I854 | A846-L850 HydrophobicContact CB-CD1 4.42Å; A846-L850 HydrophobicContact CB-CD2 3.98Å; E848-L850 PolarHBondContact O-N 3.49Å; L850-I854 HydrophobicContact CD2-CB 3.83Å; L850-I854 HydrophobicContact CD2-CG2 3.58Å; L850-I854 WeakPolarHBondContact CD2-O 3.48Å | ||
| 851 | K | 51.4 | Low | 60.9 | Low | 147 Ų | 147 | 72.8 Ų | 72.8 | 64% | 0.639 | 39% | 0.391 | S | S | * | . | trans | -54.5 | 145.1 | 156.7 | -70.2 | 177.9 | 177.5 | 176.6 | 0 | 106.7 | P849 E853 I854 | P849-K851 PolarHBondContact O-N 2.9Å; K851-E853 HydrophobicContact CB-CB 4.44Å; K851-E853 PolarHBondContact O-N 2.98Å; K851-I854 PolarHBondContact O-N 2.73Å | ||
| 852 | D | 56 | Low | 61.7 | Low | 159 Ų | 159 | 74.5 Ų | 74.5 | 85% | 0.85 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -14.7 | 178 | -71.3 | -35.7 | 0 | 0 | 0 | 113.2 | ||
| 853 | E | 62.8 | Low | 62.8 | Low | 115 Ų | 115 | 72.6 Ų | 72.6 | 54% | 0.537 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -21 | 174.2 | -65.3 | 169.2 | -177.4 | 0 | 0 | 114.5 | R838 R839 K851 | R838-E853 CarbonylContact C-O 3.28Å; R838-E853 WeakPolarHBondContact CA-O 3.39Å; R839-E853 PolarHBondContact N-O 2.89Å; K851-E853 HydrophobicContact CB-CB 4.44Å; K851-E853 PolarHBondContact O-N 2.98Å |
| 854 | I | 66.7 | Low | 64.2 | Low | 67 Ų | 67 | 67.5 Ų | 67.5 | 34% | 0.344 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.9 | -173.9 | -57.8 | 177.1 | 0 | 0 | 0 | 109.7 | V841 L850 K851 | V841-I854 HydrophobicContact CB-CG2 4.35Å; V841-I854 HydrophobicContact CG1-CG2 4.06Å; V841-I854 HydrophobicContact CG2-CG2 3.35Å; L850-I854 HydrophobicContact CD2-CB 3.83Å; L850-I854 HydrophobicContact CD2-CG2 3.58Å; L850-I854 WeakPolarHBondContact CD2-O 3.48Å; K851-I854 PolarHBondContact O-N 2.73Å |
| 855 | I | 69.7 | Low | 65.9 | Low | 13 Ų | 13 | 62.7 Ų | 62.7 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 112.1 | 178.5 | -65.6 | 168.3 | 0 | 0 | 0 | 108.4 | V781 C785 L834 R838 R839 I840 V841 M857 | V781-I855 HydrophobicContact CG1-CD1 4.11Å; C785-I855 HydrophobicContact CB-CG2 3.87Å; C785-I855 WeakPolarHBondContact SG-CG2 3.43Å; L834-I855 HydrophobicContact CD1-CD1 3.7Å; R838-I855 HydrophobicContact CB-CD1 3.96Å; R839-I855 PolarHBondContact O-N 2.81Å; I840-I855 CarbonylContact C-O 3.52Å; I840-I855 VanDerWaalsContact CA-O 3.31Å; I840-I855 WeakPolarHBondContact CA-O 2.78Å; I840-I855 HydrophobicContact CG1-CB 4.27Å; I840-I855 HydrophobicContact CG1-CD1 4.47Å; I840-I855 HydrophobicContact CG1-CG2 4.21Å; V841-I855 PolarHBondContact N-O 2.71Å; I855-M857 PolarHBondContact O-N 2.79Å |
| 856 | G | 67.1 | Low | 67.9 | Low | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 125.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | C785 F786 | C785-G856 CarbonylContact C-O 3.51Å; F786-G856 WeakPolarHBondContact CB-O 3.33Å; F786-G856 PolarHBondContact N-O 2.83Å |
| 857 | M | 76.2 | Confident | 69.9 | Low | 32 Ų | 32 | 59.1 Ų | 59.1 | 16% | 0.158 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 127.7 | 173 | -173 | 176.9 | 65.6 | 0 | 0 | 109.7 | A784 L826 G830 I840 V841 I855 F861 | A784-M857 CarbonylContact O-C 3.1Å; A784-M857 VanDerWaalsContact O-CA 3.32Å; A784-M857 WeakPolarHBondContact O-CA 3.39Å; L826-M857 HydrophobicContact CD1-SD 4.09Å; G830-M857 VanDerWaalsContact CA-CE 3.45Å; I840-M857 HydrophobicContact CG2-CB 3.89Å; I840-M857 HydrophobicContact CG2-CG 4.43Å; V841-M857 WeakPolarHBondContact O-CB 3.17Å; V841-M857 PolarHBondContact O-N 3.13Å; I855-M857 PolarHBondContact O-N 2.79Å; M857-F861 HydrophobicContact CG-CB 4.38Å; M857-F861 HydrophobicContact CG-CD1 4.16Å; M857-F861 HydrophobicContact SD-CD1 3.81Å; M857-F861 HydrophobicContact SD-CE1 4.39Å |
| 858 | H | 75.1 | Confident | 71.7 | Confident | 27 Ų | 27 | 53 Ų | 53 | 13% | 0.125 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 131.9 | 179.1 | -170.4 | -78.6 | 0 | 0 | 0 | 111.1 | A784 F786 G804 K860 F861 | A784-H858 PolarHBondContact O-N 3.14Å; F786-H858 HydrophobicContact CB-CB 4.39Å; F786-H858 AromaticContact CD2-CD2 3.8Å; G804-H858 WeakPolarHBondContact CA-ND1 3.32Å; H858-K860 WeakPolarHBondContact ND1-CB 3.36Å; H858-K860 PolarHBondContact ND1-N 2.9Å; H858-K860 PolarHBondContact O-N 3.45Å; H858-K860 VanDerWaalsContact O-N 3.07Å; H858-F861 WeakPolarHBondContact O-CB 3.23Å; H858-F861 PolarHBondContact O-N 3.12Å |
| 859 | P | 72.6 | Confident | 73 | Confident | 67 Ų | 67 | 47.5 Ų | 47.5 | 44% | 0.435 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.2 | -173.5 | 23.2 | -34.3 | 0 | 0 | 0 | 114.4 | Y843 R862 | Y843-P859 HydrophobicContact CD2-CG 4.41Å; Y843-P859 HydrophobicContact CG-CG 4.48Å; P859-R862 PolarHBondContact O-NH1 3.21Å |
| 860 | K | 78.2 | Confident | 73.8 | Confident | 86 Ų | 86 | 44.9 Ų | 44.9 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -1.3 | 175.9 | -53.7 | -177.6 | -179.5 | 171.4 | 0 | 114.7 | E687 H858 R862 | E687-K860 IonicContact OE1-NZ 2.76Å; E687-K860 PolarHBondContact OE1-NZ 2.95Å; E687-K860 IonicContact OE2-NZ 3.23Å; E687-K860 PolarHBondContact OE2-NZ 3.46Å; H858-K860 WeakPolarHBondContact ND1-CB 3.36Å; H858-K860 PolarHBondContact ND1-N 2.9Å; H858-K860 PolarHBondContact O-N 3.45Å; H858-K860 VanDerWaalsContact O-N 3.07Å; K860-R862 PolarHBondContact O-N 3.4Å |
| 861 | F | 83 | Confident | 74.1 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | trans | -60 | 131 | 177.3 | 170 | -109.9 | 0 | 0 | 0 | 110.6 | A783 A784 H805 L807 L826 M857 H858 M863 | A783-F861 HydrophobicContact CB-CD2 4.06Å; A783-F861 HydrophobicContact CB-CE2 3.62Å; A783-F861 WeakPolarHBondContact O-CD2 3.37Å; A784-F861 HydrophobicContact CB-CE2 4.47Å; A784-F861 HydrophobicContact CB-CZ 4.48Å; H805-F861 WeakPolarHBondContact O-CD2 3.33Å; L807-F861 HydrophobicContact CB-CE2 4Å; L807-F861 HydrophobicContact CB-CZ 4.37Å; L807-F861 HydrophobicContact CD2-CZ 4.49Å; L826-F861 HydrophobicContact CD2-CE1 4.17Å; L826-F861 HydrophobicContact CD2-CZ 4.38Å; L826-F861 HydrophobicContact CG-CE1 4.5Å; M857-F861 HydrophobicContact CG-CB 4.38Å; M857-F861 HydrophobicContact CG-CD1 4.16Å; M857-F861 HydrophobicContact SD-CD1 3.81Å; M857-F861 HydrophobicContact SD-CE1 4.39Å; H858-F861 WeakPolarHBondContact O-CB 3.23Å; H858-F861 PolarHBondContact O-N 3.12Å; F861-M863 HydrophobicContact CE1-CG 3.83Å; F861-M863 HydrophobicContact CE1-SD 4.08Å; F861-M863 HydrophobicContact CE2-CG 4.33Å; F861-M863 HydrophobicContact CZ-CG 3.51Å; F861-M863 HydrophobicContact CZ-SD 3.95Å | ||
| 862 | R | 87 | Confident | 73.6 | Confident | 48 Ų | 48 | 44.3 Ų | 44.3 | 18% | 0.181 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 155 | 178.8 | -63.8 | -64.9 | 177.9 | -97.3 | 4.2 | 110.5 | Y717 G720 V806 L807 P859 K860 | Y717-R862 HydrophobicContact CD2-CG 4.35Å; Y717-R862 HydrophobicContact CE2-CB 4.12Å; Y717-R862 HydrophobicContact CE2-CG 3.78Å; G720-R862 VanDerWaalsContact C-NE 3.34Å; G720-R862 VanDerWaalsContact O-CZ 3.3Å; G720-R862 PolarHBondContact O-NE 2.76Å; V806-R862 CarbonylContact C-O 3.56Å; V806-R862 WeakPolarHBondContact CA-O 3.41Å; V806-R862 HydrophobicContact CG1-CB 4.45Å; V806-R862 HydrophobicContact CG2-CB 4.4Å; L807-R862 PolarHBondContact N-O 3.19Å; P859-R862 PolarHBondContact O-NH1 3.21Å; K860-R862 PolarHBondContact O-N 3.4Å |
| 863 | M | 89.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140 | 178.5 | -66.8 | 180 | 76.6 | 0 | 0 | 109.2 | H722 L723 L807 V809 L823 L826 L827 F861 F865 | H722-M863 CarbonylContact C-O 3.49Å; H722-M863 WeakPolarHBondContact CA-O 3.44Å; H722-M863 HydrophobicContact CB-CB 4.38Å; H722-M863 PolarHBondContact ND1-N 2.81Å; H722-M863 VanDerWaalsContact ND1-N 3.12Å; L723-M863 PolarHBondContact N-O 3.48Å; L807-M863 HydrophobicContact CB-CG 4.25Å; L807-M863 HydrophobicContact CD2-CE 3.78Å; L807-M863 HydrophobicContact CD2-CG 4.42Å; L807-M863 CarbonylContact O-C 3.58Å; L807-M863 VanDerWaalsContact O-CA 3.28Å; L807-M863 WeakPolarHBondContact O-CA 3.41Å; V809-M863 HydrophobicContact CG2-CE 3.88Å; L823-M863 HydrophobicContact CD2-CE 4.07Å; L826-M863 HydrophobicContact CD2-SD 4.25Å; L827-M863 HydrophobicContact CD2-CB 4.33Å; L827-M863 HydrophobicContact CD2-CG 4.39Å; L827-M863 HydrophobicContact CD2-SD 3.64Å; L827-M863 HydrophobicContact CG-SD 4.17Å; F861-M863 HydrophobicContact CE1-CG 3.83Å; F861-M863 HydrophobicContact CE1-SD 4.08Å; F861-M863 HydrophobicContact CE2-CG 4.33Å; F861-M863 HydrophobicContact CZ-CG 3.51Å; F861-M863 HydrophobicContact CZ-SD 3.95Å; M863-F865 HydrophobicContact CB-CD2 4.32Å; M863-F865 HydrophobicContact CB-CE2 3.86Å; M863-F865 HydrophobicContact CE-CE1 4.29Å; M863-F865 HydrophobicContact CE-CE2 3.75Å; M863-F865 HydrophobicContact CE-CZ 3.41Å; M863-F865 VanDerWaalsContact CE-CZ 3.41Å; M863-F865 HydrophobicContact SD-CE2 4.21Å; M863-F865 HydrophobicContact SD-CZ 4.33Å |
| 864 | I | 92.3 | Very high | 72.5 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 109.8 | 173.1 | -56.7 | -178.1 | 0 | 0 | 0 | 107.5 | L723 L725 A737 F740 L741 V806 L807 V808 V809 L866 | L723-I864 HydrophobicContact CB-CG1 4.23Å; L723-I864 HydrophobicContact CB-CG2 4.37Å; L723-I864 HydrophobicContact CD1-CD1 4.28Å; L723-I864 HydrophobicContact CD1-CG1 4.28Å; L723-I864 HydrophobicContact CG-CG1 4.48Å; L723-I864 CarbonylContact O-C 3.27Å; L723-I864 WeakPolarHBondContact O-CA 2.97Å; L725-I864 HydrophobicContact CD1-CG2 4.43Å; L725-I864 HydrophobicContact CG-CG2 4.42Å; A737-I864 HydrophobicContact CB-CG2 4.17Å; F740-I864 HydrophobicContact CD1-CD1 4.41Å; L741-I864 HydrophobicContact CD1-CD1 4.16Å; L741-I864 HydrophobicContact CD2-CD1 4.22Å; L741-I864 HydrophobicContact CG-CD1 4.27Å; V806-I864 HydrophobicContact CG1-CD1 3.83Å; V806-I864 HydrophobicContact CG1-CG1 3.8Å; L807-I864 PolarHBondContact O-N 3.26Å; V808-I864 CarbonylContact C-O 3.58Å; V808-I864 WeakPolarHBondContact CA-O 3.42Å; V808-I864 HydrophobicContact CG2-CB 4.44Å; V809-I864 PolarHBondContact N-O 2.82Å; I864-L866 HydrophobicContact CG2-CD2 3.98Å |
| 865 | F | 91.3 | Very high | 71.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 138.3 | 175.7 | -72.4 | -93.6 | 0 | 0 | 0 | 110.7 | L723 L724 L725 V809 A812 L823 L827 M863 F879 L883 L887 | L723-F865 PolarHBondContact O-N 2.99Å; L724-F865 CarbonylContact C-O 3.57Å; L724-F865 WeakPolarHBondContact CA-O 3.2Å; L724-F865 HydrophobicContact CB-CB 4.44Å; L724-F865 HydrophobicContact CD1-CB 3.56Å; L725-F865 PolarHBondContact N-O 3.48Å; V809-F865 HydrophobicContact CB-CD1 3.8Å; V809-F865 HydrophobicContact CB-CE1 4Å; V809-F865 HydrophobicContact CB-CG 4.4Å; V809-F865 HydrophobicContact CG1-CD1 3.91Å; V809-F865 HydrophobicContact CG1-CE1 3.94Å; V809-F865 HydrophobicContact CG2-CD1 4.35Å; V809-F865 HydrophobicContact CG2-CE1 4.12Å; V809-F865 HydrophobicContact CG2-CZ 4.45Å; V809-F865 CarbonylContact O-C 3.6Å; V809-F865 WeakPolarHBondContact O-CA 3.49Å; A812-F865 HydrophobicContact CB-CD1 3.69Å; A812-F865 HydrophobicContact CB-CE1 4.43Å; L823-F865 HydrophobicContact CB-CZ 4.45Å; L823-F865 HydrophobicContact CD1-CE1 3.81Å; L823-F865 HydrophobicContact CD1-CZ 4.06Å; L827-F865 HydrophobicContact CD1-CE2 3.81Å; L827-F865 HydrophobicContact CD1-CZ 3.96Å; L827-F865 HydrophobicContact CD2-CE2 4.28Å; M863-F865 HydrophobicContact CB-CD2 4.32Å; M863-F865 HydrophobicContact CB-CE2 3.86Å; M863-F865 HydrophobicContact CE-CE1 4.29Å; M863-F865 HydrophobicContact CE-CE2 3.75Å; M863-F865 HydrophobicContact CE-CZ 3.41Å; M863-F865 VanDerWaalsContact CE-CZ 3.41Å; M863-F865 HydrophobicContact SD-CE2 4.21Å; M863-F865 HydrophobicContact SD-CZ 4.33Å; F865-F879 HydrophobicContact CB-CZ 4.07Å; F865-F879 AromaticContact CD1-CE2 3.83Å; F865-F879 HydrophobicContact CD1-CE2 3.83Å; F865-F879 AromaticContact CD1-CZ 3.85Å; F865-F879 HydrophobicContact CD1-CZ 3.85Å; F865-F879 HydrophobicContact CE1-CE2 4.19Å; F865-F879 HydrophobicContact CG-CZ 4.09Å; F865-L883 HydrophobicContact CE1-CD1 4.15Å; F865-L883 HydrophobicContact CZ-CD1 4.14Å; F865-L887 HydrophobicContact CB-CD1 4.24Å; F865-L887 HydrophobicContact CD2-CD1 3.57Å; F865-L887 HydrophobicContact CD2-CD2 3.71Å; F865-L887 HydrophobicContact CD2-CG 4.33Å; F865-L887 HydrophobicContact CE2-CD1 4.06Å; F865-L887 HydrophobicContact CE2-CD2 3.84Å; F865-L887 HydrophobicContact CG-CD1 3.93Å |
| 866 | L | 91.7 | Very high | 70.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.5 | 174.1 | -45.7 | 175.6 | 0 | 0 | 0 | 107.9 | L725 K733 N734 A737 V808 V809 D810 E811 A812 I864 | L725-L866 HydrophobicContact CB-CD2 3.73Å; L725-L866 HydrophobicContact CD1-CD2 3.71Å; L725-L866 HydrophobicContact CG-CD2 3.95Å; K733-L866 HydrophobicContact CB-CD2 4.41Å; N734-L866 HydrophobicContact CB-CD1 4.48Å; N734-L866 WeakPolarHBondContact OD1-CD1 3.48Å; A737-L866 HydrophobicContact CB-CD2 4.22Å; V808-L866 HydrophobicContact CG1-CD1 3.85Å; V808-L866 HydrophobicContact CG1-CG 4.3Å; V809-L866 PolarHBondContact O-N 3.32Å; D810-L866 HydrophobicContact CB-CD1 4.3Å; E811-L866 PolarHBondContact N-O 3.38Å; E811-L866 VanDerWaalsContact N-O 3.14Å; A812-L866 PolarHBondContact N-O 3.09Å; A812-L866 VanDerWaalsContact N-O 3.12Å; I864-L866 HydrophobicContact CG2-CD2 3.98Å |
| 867 | A | 86.2 | Confident | 70.6 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L724 L725 M726 G727 K733 D813 F879 | L724-A867 HydrophobicContact CD1-CB 4.11Å; L725-A867 PolarHBondContact O-N 2.98Å; L725-A867 VanDerWaalsContact O-N 3.08Å; M726-A867 WeakPolarHBondContact CA-O 3.46Å; M726-A867 HydrophobicContact CG-CB 3.87Å; G727-A867 PolarHBondContact N-O 2.92Å; K733-A867 VanDerWaalsContact NZ-C 3.27Å; K733-A867 PolarHBondContact NZ-O 2.9Å; D813-A867 HydrophobicContact CB-CB 4.01Å; A867-F879 HydrophobicContact CB-CD1 4.18Å; A867-F879 HydrophobicContact CB-CE1 4.09Å |
| 868 | N | 80 | Confident | 70 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 167.1 | 166.9 | -52.8 | -60.3 | 0 | 0 | 0 | 110.7 | G727 Q729 K733 D813 F874 | G727-N868 WeakPolarHBondContact O-CA 3.49Å; Q729-N868 VanDerWaalsContact CG-OD1 3.23Å; Q729-N868 WeakPolarHBondContact CG-OD1 3.22Å; K733-N868 PolarHBondContact NZ-OD1 3.46Å; D813-N868 VanDerWaalsContact CG-N 3.31Å; D813-N868 WeakPolarHBondContact OD2-CA 3.2Å; D813-N868 WeakPolarHBondContact OD2-CB 3.46Å; D813-N868 PolarHBondContact OD2-N 2.9Å; D813-N868 PolarHBondContact OD2-ND2 2.82Å; N868-F874 HydrophobicContact CB-CD1 4.42Å; N868-F874 HydrophobicContact CB-CD2 4.38Å; N868-F874 HydrophobicContact CB-CE1 4.42Å; N868-F874 HydrophobicContact CB-CE2 4.38Å; N868-F874 HydrophobicContact CB-CG 4.42Å; N868-F874 HydrophobicContact CB-CZ 4.44Å |
| 869 | R | 68.9 | Low | 69.7 | Low | 42 Ų | 42 | 45.3 Ų | 45.3 | 16% | 0.158 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 139 | 177.4 | -64.1 | -175.4 | -177 | 179.6 | -1.8 | 110.1 | N728 G871 I892 D893 | N728-R869 WeakPolarHBondContact OD1-CD 3.22Å; R869-G871 PolarHBondContact O-N 3.12Å; R869-I892 PolarHBondContact NH2-O 2.88Å; R869-D893 IonicContact CZ-OD1 3.77Å; R869-D893 IonicContact NH1-OD1 3.2Å; R869-D893 PolarHBondContact NH1-OD1 2.9Å; R869-D893 IonicContact NH2-OD1 2.79Å; R869-D893 PolarHBondContact NH2-OD1 3.07Å |
| 870 | P | 58.6 | Low | 69.6 | Low | 67 Ų | 67 | 43.5 Ų | 43.5 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -67.6 | 126.9 | 169.7 | 27 | -31.2 | 0 | 0 | 0 | 110.1 | ||
| 871 | G | 51.8 | Low | 69 | Low | 31 Ų | 31 | 41.1 Ų | 41.1 | 32% | 0.32 | 23% | 0.229 | S | C | . | . | B | Isolated β-bridge | trans | 143.8 | 153 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R869 F874 | R869-G871 PolarHBondContact O-N 3.12Å; G871-F874 CarbonylContact C-O 3.43Å; G871-F874 WeakPolarHBondContact O-CA 3.48Å; G871-F874 VanDerWaalsContact O-CB 3.28Å; G871-F874 WeakPolarHBondContact O-CB 3.47Å; G871-F874 PolarHBondContact O-N 3.1Å; G871-F874 VanDerWaalsContact O-O 3.13Å |
| 872 | F | 41.6 | Very low | 68.2 | Low | 155 Ų | 155 | 41.8 Ų | 41.8 | 68% | 0.68 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 137.6 | -180 | -173.1 | -89.4 | 0 | 0 | 0 | 112 | F874 | F872-F874 VanDerWaalsContact C-N 3.35Š|
| 873 | P | 45 | Very low | 67.6 | Low | 85 Ų | 85 | 39.5 Ų | 39.5 | 55% | 0.552 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -81.5 | 0.7 | 7.6 | 32.2 | -35.1 | 0 | 0 | 0 | 115.2 | L875 | P873-L875 PolarHBondContact O-N 2.97Š|
| 874 | F | 49.7 | Very low | 66.7 | Low | 48 Ų | 48 | 39.5 Ų | 39.5 | 21% | 0.211 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -80 | 109.8 | -176.9 | -169.2 | -99 | 0 | 0 | 0 | 112.2 | D813 K814 N868 G871 F872 G876 | D813-F874 HydrophobicContact CB-CE1 3.85Å; D813-F874 HydrophobicContact CB-CZ 4.02Å; D813-F874 VanDerWaalsContact CG-CZ 3.49Å; D813-F874 WeakPolarHBondContact OD2-CE1 3.24Å; D813-F874 WeakPolarHBondContact OD2-CZ 3.39Å; K814-F874 HydrophobicContact CG-CZ 4.31Å; N868-F874 HydrophobicContact CB-CD1 4.42Å; N868-F874 HydrophobicContact CB-CD2 4.38Å; N868-F874 HydrophobicContact CB-CE1 4.42Å; N868-F874 HydrophobicContact CB-CE2 4.38Å; N868-F874 HydrophobicContact CB-CG 4.42Å; N868-F874 HydrophobicContact CB-CZ 4.44Å; G871-F874 CarbonylContact C-O 3.43Å; G871-F874 WeakPolarHBondContact O-CA 3.48Å; G871-F874 VanDerWaalsContact O-CB 3.28Å; G871-F874 WeakPolarHBondContact O-CB 3.47Å; G871-F874 PolarHBondContact O-N 3.1Å; G871-F874 VanDerWaalsContact O-O 3.13Å; F872-F874 VanDerWaalsContact C-N 3.35Å; F874-G876 VanDerWaalsContact CE1-CA 3.47Å |
| 875 | L | 50.9 | Low | 65.6 | Low | 83 Ų | 83 | 41.8 Ų | 41.8 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | trans | -100 | 46.2 | -178.6 | -63.1 | 167.1 | 0 | 0 | 0 | 111.8 | P873 | P873-L875 PolarHBondContact O-N 2.97Š| ||
| 876 | G | 52.9 | Low | 64.8 | Low | 28 Ų | 28 | 43 Ų | 43 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | trans | -80.6 | 167 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F874 | F874-G876 VanDerWaalsContact CE1-CA 3.47Š| ||
| 877 | N | 60.6 | Low | 64.3 | Low | 74 Ų | 74 | 43.1 Ų | 43.1 | 40% | 0.396 | 24% | 0.244 | S | C | . | . | trans | -66.8 | 158.9 | 175.2 | -72.5 | -37.4 | 0 | 0 | 0 | 110.7 | D813 A815 P816 F879 | D813-N877 PolarHBondContact O-N 2.93Å; A815-N877 PolarHBondContact O-ND2 3.2Å; P816-N877 WeakPolarHBondContact CA-ND2 3.3Å; N877-F879 PolarHBondContact O-N 2.81Å | ||
| 878 | N | 62.4 | Low | 64.1 | Low | 112 Ų | 112 | 43 Ų | 43 | 60% | 0.599 | 24% | 0.244 | S | C | * | . | trans | -75.3 | 54.1 | -178.7 | -159.3 | -5.2 | 0 | 0 | 0 | 112.6 | F880 A881 V882 | N878-F880 PolarHBondContact O-N 3.49Å; N878-A881 HydrophobicContact CB-CB 4.31Å; N878-A881 WeakPolarHBondContact ND2-CB 3.26Å; N878-A881 PolarHBondContact O-N 3.46Å; N878-A881 VanDerWaalsContact O-N 3.09Å; N878-A881 WeakPolarHBondContact OD1-CB 3.21Å; N878-A881 PolarHBondContact OD1-N 3.02Å; N878-V882 PolarHBondContact O-N 2.95Å | ||
| 879 | F | 70.4 | Confident | 64.1 | Low | 5 Ų | 5 | 42.6 Ų | 42.6 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -49.7 | -44.2 | 178.4 | 162.4 | -92.5 | 0 | 0 | 0 | 111.8 | L724 A812 I820 F865 A867 N877 A881 V882 L883 L887 | L724-F879 HydrophobicContact CD1-CE1 3.57Å; L724-F879 HydrophobicContact CD1-CZ 3.89Å; L724-F879 HydrophobicContact CD2-CE1 3.76Å; L724-F879 HydrophobicContact CD2-CZ 4.41Å; L724-F879 HydrophobicContact CG-CE1 4.35Å; A812-F879 HydrophobicContact CB-CD2 3.97Å; A812-F879 HydrophobicContact CB-CE2 3.56Å; A812-F879 HydrophobicContact CB-CZ 3.98Å; I820-F879 HydrophobicContact CD1-CB 3.96Å; I820-F879 HydrophobicContact CD1-CD2 3.94Å; I820-F879 HydrophobicContact CD1-CG 4.47Å; I820-F879 HydrophobicContact CG1-CD2 4.2Å; I820-F879 HydrophobicContact CG2-CD2 4.12Å; F865-F879 HydrophobicContact CB-CZ 4.07Å; F865-F879 AromaticContact CD1-CE2 3.83Å; F865-F879 HydrophobicContact CD1-CE2 3.83Å; F865-F879 AromaticContact CD1-CZ 3.85Å; F865-F879 HydrophobicContact CD1-CZ 3.85Å; F865-F879 HydrophobicContact CE1-CE2 4.19Å; F865-F879 HydrophobicContact CG-CZ 4.09Å; A867-F879 HydrophobicContact CB-CD1 4.18Å; A867-F879 HydrophobicContact CB-CE1 4.09Å; N877-F879 PolarHBondContact O-N 2.81Å; F879-A881 VanDerWaalsContact C-N 3.31Å; F879-A881 PolarHBondContact O-N 3.47Å; F879-V882 PolarHBondContact O-N 3.43Å; F879-V882 VanDerWaalsContact O-N 3.12Å; F879-L883 HydrophobicContact CD2-CD1 4.33Å; F879-L883 HydrophobicContact CE2-CB 4.2Å; F879-L883 HydrophobicContact CE2-CD1 3.71Å; F879-L883 HydrophobicContact CE2-CG 4.48Å; F879-L883 HydrophobicContact CZ-CB 4.33Å; F879-L883 HydrophobicContact CZ-CD1 4.42Å; F879-L883 PolarHBondContact O-N 2.92Å; F879-L887 HydrophobicContact CZ-CD1 4.01Å |
| 880 | F | 69.3 | Low | 64.7 | Low | 28 Ų | 28 | 40.7 Ų | 40.7 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -34.4 | -177.5 | -172.2 | -100 | 0 | 0 | 0 | 112.5 | R603 V629 T630 L724 M726 N878 V882 G884 | R603-F880 VanDerWaalsContact NH2-CZ 3.35Å; V629-F880 HydrophobicContact CG1-CD2 3.86Å; V629-F880 HydrophobicContact CG1-CE1 4.18Å; V629-F880 HydrophobicContact CG1-CE2 3.46Å; V629-F880 VanDerWaalsContact CG1-CE2 3.46Å; V629-F880 HydrophobicContact CG1-CG 4.38Å; V629-F880 HydrophobicContact CG1-CZ 3.63Å; T630-F880 HydrophobicContact CG2-CD1 4.4Å; T630-F880 HydrophobicContact CG2-CE1 3.44Å; T630-F880 VanDerWaalsContact CG2-CE1 3.44Å; T630-F880 HydrophobicContact CG2-CZ 3.88Å; L724-F880 HydrophobicContact CD2-CD2 4.09Å; L724-F880 HydrophobicContact CD2-CE2 4.32Å; M726-F880 HydrophobicContact CE-CD2 3.56Å; M726-F880 HydrophobicContact CE-CE2 3.57Å; M726-F880 HydrophobicContact SD-CD2 3.73Å; M726-F880 HydrophobicContact SD-CE2 4.34Å; M726-F880 HydrophobicContact SD-CG 4.48Å; N878-F880 PolarHBondContact O-N 3.49Å; F880-V882 VanDerWaalsContact C-N 3.29Å; F880-V882 PolarHBondContact O-N 3.15Å; F880-G884 VanDerWaalsContact O-CA 3.24Å; F880-G884 WeakPolarHBondContact O-CA 3.43Å; F880-G884 PolarHBondContact O-N 3.38Å |
| 881 | A | 65.6 | Low | 65.7 | Low | 37 Ų | 37 | 37.9 Ų | 37.9 | 31% | 0.306 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -73 | -19.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | R385 N878 F879 | R385-A881 PolarHBondContact NH1-O 3.42Å; N878-A881 HydrophobicContact CB-CB 4.31Å; N878-A881 WeakPolarHBondContact ND2-CB 3.26Å; N878-A881 PolarHBondContact O-N 3.46Å; N878-A881 VanDerWaalsContact O-N 3.09Å; N878-A881 WeakPolarHBondContact OD1-CB 3.21Å; N878-A881 PolarHBondContact OD1-N 3.02Å; F879-A881 VanDerWaalsContact C-N 3.31Å; F879-A881 PolarHBondContact O-N 3.47Å |
| 882 | V | 66.9 | Low | 67.2 | Low | 18 Ų | 18 | 36.4 Ų | 36.4 | 11% | 0.109 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -94.5 | -45.8 | -179.8 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | T817 I820 N878 F879 F880 | T817-V882 HydrophobicContact CG2-CG2 4.25Å; I820-V882 HydrophobicContact CG2-CB 3.8Å; I820-V882 HydrophobicContact CG2-CG1 3.67Å; N878-V882 PolarHBondContact O-N 2.95Å; F879-V882 PolarHBondContact O-N 3.43Å; F879-V882 VanDerWaalsContact O-N 3.12Å; F880-V882 VanDerWaalsContact C-N 3.29Å; F880-V882 PolarHBondContact O-N 3.15Å |
| 883 | L | 73.6 | Confident | 68.9 | Low | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -112.8 | -15.9 | -174.2 | -75.1 | -177.1 | 0 | 0 | 0 | 115.2 | I820 L823 R824 L827 F865 F879 D885 L886 L887 | I820-L883 HydrophobicContact CG2-CB 4.47Å; I820-L883 HydrophobicContact CG2-CD1 3.56Å; I820-L883 HydrophobicContact CG2-CG 3.57Å; L823-L883 HydrophobicContact CB-CD1 4.28Å; R824-L883 VanDerWaalsContact CA-CD2 3.49Å; R824-L883 HydrophobicContact CB-CD2 3.51Å; R824-L883 HydrophobicContact CG-CD2 3.81Å; L827-L883 HydrophobicContact CD1-CD1 4.26Å; L827-L883 HydrophobicContact CD1-CD2 3.78Å; F865-L883 HydrophobicContact CE1-CD1 4.15Å; F865-L883 HydrophobicContact CZ-CD1 4.14Å; F879-L883 HydrophobicContact CD2-CD1 4.33Å; F879-L883 HydrophobicContact CE2-CB 4.2Å; F879-L883 HydrophobicContact CE2-CD1 3.71Å; F879-L883 HydrophobicContact CE2-CG 4.48Å; F879-L883 HydrophobicContact CZ-CB 4.33Å; F879-L883 HydrophobicContact CZ-CD1 4.42Å; F879-L883 PolarHBondContact O-N 2.92Å; L883-D885 PolarHBondContact O-N 3.37Å; L883-L886 HydrophobicContact CD2-CD1 4.32Å; L883-L886 PolarHBondContact O-N 3.26Å; L883-L886 VanDerWaalsContact O-N 3.08Å; L883-L887 HydrophobicContact CB-CD1 4.01Å; L883-L887 WeakPolarHBondContact O-CG 3.29Å |
| 884 | G | 70.5 | Confident | 70.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R603 F880 C889 | R603-G884 PolarHBondContact NH2-O 2.84Å; F880-G884 VanDerWaalsContact O-CA 3.24Å; F880-G884 WeakPolarHBondContact O-CA 3.43Å; F880-G884 PolarHBondContact O-N 3.38Å; G884-C889 PolarHBondContact O-SG 3.17Å; G884-C889 VanDerWaalsContact O-SG 3.4Å |
| 885 | D | 69 | Low | 71.8 | Confident | 48 Ų | 48 | 26.2 Ų | 26.2 | 26% | 0.257 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -25.9 | -177.6 | -64.4 | -4.9 | 0 | 0 | 0 | 113.1 | T600 R603 L883 | T600-D885 VanDerWaalsContact CG2-OD2 3.24Å; T600-D885 WeakPolarHBondContact CG2-OD2 3.28Å; R603-D885 IonicContact CZ-OD1 3.27Å; R603-D885 IonicContact NE-OD1 2.89Å; R603-D885 IonicContact NH1-OD1 3.71Å; R603-D885 PolarHBondContact NH1-OD1 3.1Å; R603-D885 VanDerWaalsContact NH1-OD1 3.14Å; R603-D885 IonicContact NH2-OD1 2.84Å; R603-D885 PolarHBondContact NH2-OD1 3.09Å; L883-D885 PolarHBondContact O-N 3.37Å |
| 886 | L | 74.7 | Confident | 73.2 | Confident | 27 Ų | 27 | 26 Ų | 26 | 14% | 0.141 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -8 | 177.7 | -60.6 | 176.7 | 0 | 0 | 0 | 112.9 | R824 L827 E828 L883 | R824-L886 HydrophobicContact CG-CD1 3.53Å; L827-L886 HydrophobicContact CB-CD1 4.09Å; E828-L886 HydrophobicContact CB-CD1 3.9Å; E828-L886 HydrophobicContact CB-CD2 4.31Å; E828-L886 HydrophobicContact CG-CD2 4.2Å; L883-L886 HydrophobicContact CD2-CD1 4.32Å; L883-L886 PolarHBondContact O-N 3.26Å; L883-L886 VanDerWaalsContact O-N 3.08Å |
| 887 | L | 81.9 | Confident | 74.6 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -114.4 | 146.4 | -170.5 | -61.4 | 174.8 | 0 | 0 | 0 | 113.3 | H722 L724 L827 F865 F879 L883 C889 | H722-L887 HydrophobicContact CB-CD2 3.55Å; L724-L887 HydrophobicContact CB-CB 3.72Å; L724-L887 HydrophobicContact CB-CD1 3.96Å; L724-L887 HydrophobicContact CB-CG 4.43Å; L724-L887 HydrophobicContact CD2-CB 4.4Å; L724-L887 HydrophobicContact CD2-CD1 4.15Å; L724-L887 HydrophobicContact CG-CD1 4.45Å; L827-L887 HydrophobicContact CD1-CD2 3.99Å; L827-L887 HydrophobicContact CD2-CD2 4.18Å; F865-L887 HydrophobicContact CB-CD1 4.24Å; F865-L887 HydrophobicContact CD2-CD1 3.57Å; F865-L887 HydrophobicContact CD2-CD2 3.71Å; F865-L887 HydrophobicContact CD2-CG 4.33Å; F865-L887 HydrophobicContact CE2-CD1 4.06Å; F865-L887 HydrophobicContact CE2-CD2 3.84Å; F865-L887 HydrophobicContact CG-CD1 3.93Å; F879-L887 HydrophobicContact CZ-CD1 4.01Å; L883-L887 HydrophobicContact CB-CD1 4.01Å; L883-L887 WeakPolarHBondContact O-CG 3.29Å; L887-C889 PolarHBondContact O-N 3.34Å; L887-C889 VanDerWaalsContact O-N 3.08Å; L887-C889 PolarHBondContact O-SG 3.32Å |
| 888 | A | 81.9 | Confident | 75.5 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 91.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R606 D716 E721 H722 L723 L724 H890 | R606-A888 VanDerWaalsContact CZ-CA 3.42Å; R606-A888 VanDerWaalsContact NH2-CA 3.34Å; D716-A888 HydrophobicContact CB-CB 3.9Å; E721-A888 HydrophobicContact CB-CB 4.17Å; H722-A888 VanDerWaalsContact O-CB 3.29Å; H722-A888 WeakPolarHBondContact O-CB 3.28Å; H722-A888 PolarHBondContact O-N 3.42Å; L723-A888 HydrophobicContact CD2-CB 3.62Å; L724-A888 PolarHBondContact N-O 2.99Å; A888-H890 PolarHBondContact O-CD2 3.13Å; A888-H890 PolarHBondContact O-N 3.22Å |
| 889 | C | 79.8 | Confident | 76.3 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.034 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 118.4 | -174.9 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | L626 V629 L724 M726 G884 L887 | L626-C889 HydrophobicContact CD1-CB 4.16Å; V629-C889 HydrophobicContact CG2-CB 4.49Å; L724-C889 CarbonylContact O-C 3.51Å; L724-C889 WeakPolarHBondContact O-CA 3.39Å; M726-C889 HydrophobicContact CE-CB 4.22Å; G884-C889 PolarHBondContact O-SG 3.17Å; G884-C889 VanDerWaalsContact O-SG 3.4Å; L887-C889 PolarHBondContact O-N 3.34Å; L887-C889 VanDerWaalsContact O-N 3.08Å; L887-C889 PolarHBondContact O-SG 3.32Å |
| 890 | H | 82.7 | Confident | 76.9 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.4 | 169.9 | -53.9 | -87.9 | 0 | 0 | 0 | 109.6 | I709 D716 L724 L725 M726 A888 | I709-H890 HydrophobicContact CG2-CB 4.38Å; D716-H890 IonicContact OD2-CE1 3.31Å; D716-H890 PolarHBondContact OD2-CE1 3.27Å; D716-H890 IonicContact OD2-NE2 3.28Å; D716-H890 PolarHBondContact OD2-NE2 2.94Å; L724-H890 PolarHBondContact O-N 2.98Å; L725-H890 HydrophobicContact CD2-CB 3.77Å; M726-H890 PolarHBondContact N-O 2.77Å; A888-H890 PolarHBondContact O-CD2 3.13Å; A888-H890 PolarHBondContact O-N 3.22Å |
| 891 | A | 79.3 | Confident | 77.7 | Confident | 7 Ų | 7 | 24.7 Ų | 24.7 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 124.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | L628 V629 M726 | L628-A891 HydrophobicContact CB-CB 3.55Å; L628-A891 HydrophobicContact CD1-CB 4.28Å; V629-A891 HydrophobicContact CG2-CB 3.9Å; M726-A891 CarbonylContact O-C 3.52Å; M726-A891 WeakPolarHBondContact O-CA 3.3Å |
| 892 | I | 81.8 | Confident | 78.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 106.5 | 172.2 | -55.4 | 168.3 | 0 | 0 | 0 | 106.8 | I709 L725 M726 G727 V731 K733 I736 R869 | I709-I892 HydrophobicContact CD1-CG1 4.26Å; I709-I892 HydrophobicContact CD1-CG2 4.42Å; L725-I892 HydrophobicContact CB-CD1 3.75Å; L725-I892 HydrophobicContact CD1-CD1 4.09Å; L725-I892 HydrophobicContact CD2-CD1 4.3Å; L725-I892 HydrophobicContact CG-CD1 4.27Å; M726-I892 PolarHBondContact O-N 3.31Å; G727-I892 VanDerWaalsContact CA-O 3.26Å; G727-I892 WeakPolarHBondContact CA-O 3.48Å; V731-I892 HydrophobicContact CB-CG2 3.99Å; V731-I892 HydrophobicContact CG2-CB 4Å; V731-I892 HydrophobicContact CG2-CG2 3.51Å; K733-I892 HydrophobicContact CB-CD1 4.1Å; K733-I892 HydrophobicContact CG-CD1 3.82Å; I736-I892 HydrophobicContact CD1-CD1 3.78Å; I736-I892 HydrophobicContact CD1-CG1 4.31Å; I736-I892 HydrophobicContact CD1-CG2 3.99Å; R869-I892 PolarHBondContact NH2-O 2.88Å |
| 893 | D | 77.2 | Confident | 79.3 | Confident | 35 Ų | 35 | 25.7 Ų | 25.7 | 19% | 0.187 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -80 | 163.9 | 169 | -79.9 | -38.3 | 0 | 0 | 0 | 110.5 | R638 Q705 R869 | R638-D893 IonicContact NH2-OD2 3.25Å; Q705-D893 PolarHBondContact NE2-O 3.42Å; R869-D893 IonicContact CZ-OD1 3.77Å; R869-D893 IonicContact NH1-OD1 3.2Å; R869-D893 PolarHBondContact NH1-OD1 2.9Å; R869-D893 IonicContact NH2-OD1 2.79Å; R869-D893 PolarHBondContact NH2-OD1 3.07Å |
| 894 | N | 78.5 | Confident | 79.9 | Confident | 35 Ų | 35 | 25.7 Ų | 25.7 | 19% | 0.187 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -54 | 143.3 | 164.6 | -68.2 | -44.9 | 0 | 0 | 0 | 109.3 | Q705 V731 D896 | Q705-N894 PolarHBondContact NE2-O 3.46Å; V731-N894 WeakPolarHBondContact CG1-OD1 3.29Å; N894-D896 PolarHBondContact O-N 2.83Å |
| 895 | P | 78.2 | Confident | 80.8 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 139.6 | 176.9 | 23.4 | -31.6 | 0 | 0 | 0 | 110.4 | Q705 E900 T941 | Q705-P895 VanDerWaalsContact OE1-CA 3.25Å; P895-E900 HydrophobicContact CB-CB 3.99Å; P895-E900 HydrophobicContact CG-CB 3.94Å; P895-E900 HydrophobicContact CG-CG 4.07Å; P895-T941 WeakPolarHBondContact CD-OG1 3.07Å; P895-T941 HydrophobicContact CG-CG2 4.16Å; P895-T941 WeakPolarHBondContact CG-OG1 3.49Å |
| 896 | D | 79.6 | Confident | 81.5 | Confident | 78 Ų | 78 | 32.6 Ų | 32.6 | 42% | 0.417 | 16% | 0.155 | S | C | . | . | P | Polyproline II helix | trans | -64.9 | 163.3 | 170.3 | 64.2 | 25.1 | 0 | 0 | 0 | 111.2 | N894 E898 S899 E900 | N894-D896 PolarHBondContact O-N 2.83Å; D896-E898 PolarHBondContact O-N 3.12Å; D896-S899 PolarHBondContact O-N 3.27Å; D896-S899 WeakPolarHBondContact OD1-CA 3.41Å; D896-S899 WeakPolarHBondContact OD1-CB 3.29Å; D896-S899 PolarHBondContact OD1-N 3.26Å; D896-S899 PolarHBondContact OD1-OG 2.91Å; D896-E900 WeakPolarHBondContact O-CB 3.32Å; D896-E900 PolarHBondContact O-N 2.94Å |
| 897 | F | 81.8 | Confident | 82 | Confident | 75 Ų | 75 | 32.2 Ų | 32.2 | 33% | 0.329 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -55.7 | -39.6 | -173.7 | -176.4 | -87.7 | 0 | 0 | 0 | 112.4 | M901 V917 T920 A921 | F897-M901 HydrophobicContact CE1-CE 4.05Å; F897-M901 HydrophobicContact CE2-CE 4.37Å; F897-M901 HydrophobicContact CZ-CE 3.76Å; F897-M901 VanDerWaalsContact O-CB 3.3Å; F897-M901 WeakPolarHBondContact O-CB 3.48Å; F897-M901 PolarHBondContact O-N 3.36Å; F897-V917 HydrophobicContact CZ-CG1 4.31Å; F897-T920 HydrophobicContact CD2-CG2 3.53Å; F897-T920 HydrophobicContact CE2-CG2 3.69Å; F897-T920 HydrophobicContact CG-CG2 4.22Å; F897-T920 HydrophobicContact CZ-CG2 4.49Å; F897-A921 HydrophobicContact CE2-CB 4.19Å |
| 898 | E | 80.8 | Confident | 82.2 | Confident | 136 Ų | 136 | 32.2 Ų | 32.2 | 64% | 0.636 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -68.9 | -47.9 | 179.3 | -65.7 | -174.8 | 170.3 | 0 | 0 | 111.6 | D896 E900 M901 E902 | D896-E898 PolarHBondContact O-N 3.12Å; E898-E900 PolarHBondContact O-N 3.25Å; E898-M901 PolarHBondContact O-N 2.86Å; E898-E902 PolarHBondContact O-N 3.35Å |
| 899 | S | 79.4 | Confident | 82.4 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 179 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | D896 M903 | D896-S899 PolarHBondContact O-N 3.27Å; D896-S899 WeakPolarHBondContact OD1-CA 3.41Å; D896-S899 WeakPolarHBondContact OD1-CB 3.29Å; D896-S899 PolarHBondContact OD1-N 3.26Å; D896-S899 PolarHBondContact OD1-OG 2.91Å; S899-M903 WeakPolarHBondContact O-CB 3.19Å; S899-M903 PolarHBondContact O-N 2.79Å; S899-M903 VanDerWaalsContact O-N 3.14Å |
| 900 | E | 83.4 | Confident | 82.7 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | 176.3 | -167 | 162 | -135.5 | 0 | 0 | 110.7 | P895 D896 E898 E902 M903 L904 T920 R927 T941 L944 | P895-E900 HydrophobicContact CB-CB 3.99Å; P895-E900 HydrophobicContact CG-CB 3.94Å; P895-E900 HydrophobicContact CG-CG 4.07Å; D896-E900 WeakPolarHBondContact O-CB 3.32Å; D896-E900 PolarHBondContact O-N 2.94Å; E898-E900 PolarHBondContact O-N 3.25Å; E900-E902 PolarHBondContact O-N 3.38Å; E900-M903 PolarHBondContact O-N 2.8Å; E900-L904 HydrophobicContact CG-CD1 4.08Å; E900-L904 HydrophobicContact CG-CG 4.45Å; E900-L904 WeakPolarHBondContact O-CB 3.35Å; E900-L904 WeakPolarHBondContact O-CG 3.44Å; E900-L904 PolarHBondContact O-N 3.01Å; E900-T920 HydrophobicContact CB-CG2 4.06Å; E900-T920 HydrophobicContact CG-CG2 4.09Å; E900-R927 VanDerWaalsContact CD-NH1 3.33Å; E900-R927 IonicContact OE1-CZ 2.87Å; E900-R927 IonicContact OE1-NH1 2.79Å; E900-R927 PolarHBondContact OE1-NH1 3.29Å; E900-R927 VanDerWaalsContact OE1-NH1 3.09Å; E900-R927 IonicContact OE1-NH2 2.94Å; E900-R927 PolarHBondContact OE1-NH2 3.09Å; E900-R927 IonicContact OE2-CZ 3.08Å; E900-R927 IonicContact OE2-NH1 3.61Å; E900-R927 PolarHBondContact OE2-NH1 3.26Å; E900-R927 IonicContact OE2-NH2 2.83Å; E900-T941 HydrophobicContact CG-CG2 4.34Å; E900-T941 WeakPolarHBondContact OE1-CB 3.36Å; E900-T941 VanDerWaalsContact OE1-CG2 3.28Å; E900-T941 WeakPolarHBondContact OE1-CG2 3.3Å; E900-T941 PolarHBondContact OE1-OG1 3.11Å; E900-L944 HydrophobicContact CG-CD2 4.27Å |
| 901 | M | 84.9 | Confident | 83 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -47.3 | 176 | -166.9 | 58.1 | 59.9 | 0 | 0 | 112.2 | F897 E898 M903 L904 R905 L916 V917 T920 | F897-M901 HydrophobicContact CE1-CE 4.05Å; F897-M901 HydrophobicContact CE2-CE 4.37Å; F897-M901 HydrophobicContact CZ-CE 3.76Å; F897-M901 VanDerWaalsContact O-CB 3.3Å; F897-M901 WeakPolarHBondContact O-CB 3.48Å; F897-M901 PolarHBondContact O-N 3.36Å; E898-M901 PolarHBondContact O-N 2.86Å; M901-M903 VanDerWaalsContact C-N 3.29Å; M901-M903 PolarHBondContact O-N 3Å; M901-L904 PolarHBondContact O-N 3.24Å; M901-R905 WeakPolarHBondContact O-CG 3.47Å; M901-R905 PolarHBondContact O-N 3.33Å; M901-L916 HydrophobicContact CE-CB 4.43Å; M901-L916 HydrophobicContact SD-CB 3.64Å; M901-V917 VanDerWaalsContact CE-CA 3.49Å; M901-V917 HydrophobicContact CE-CB 4.25Å; M901-V917 HydrophobicContact CE-CG2 3.79Å; M901-V917 HydrophobicContact SD-CG2 4.36Å; M901-T920 HydrophobicContact CE-CG2 4.24Å; M901-T920 WeakPolarHBondContact CE-OG1 3.48Å |
| 902 | E | 81.5 | Confident | 83.5 | Confident | 61 Ų | 61 | 45.9 Ų | 45.9 | 29% | 0.285 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.2 | -39.8 | -179.5 | -168.5 | 162.8 | -155.7 | 0 | 0 | 111.6 | P704 E898 E900 Q906 | P704-E902 VanDerWaalsContact CD-OE2 3.26Å; P704-E902 WeakPolarHBondContact CD-OE2 3.5Å; P704-E902 WeakPolarHBondContact CG-OE2 3.24Å; E898-E902 PolarHBondContact O-N 3.35Å; E900-E902 PolarHBondContact O-N 3.38Å; E902-Q906 WeakPolarHBondContact O-CG 3.42Å; E902-Q906 PolarHBondContact O-N 3.47Å |
| 903 | M | 84.4 | Confident | 83.8 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 173.5 | -169.4 | -166.3 | -50 | 0 | 0 | 112.3 | S899 E900 M901 Q906 Y907 T941 | S899-M903 WeakPolarHBondContact O-CB 3.19Å; S899-M903 PolarHBondContact O-N 2.79Å; S899-M903 VanDerWaalsContact O-N 3.14Å; E900-M903 PolarHBondContact O-N 2.8Å; M901-M903 VanDerWaalsContact C-N 3.29Å; M901-M903 PolarHBondContact O-N 3Å; M903-Q906 PolarHBondContact O-N 3.4Å; M903-Y907 HydrophobicContact CG-CD2 4.01Å; M903-Y907 HydrophobicContact CG-CE2 3.77Å; M903-Y907 WeakPolarHBondContact O-CD2 3.26Å; M903-Y907 PolarHBondContact O-N 2.85Å; M903-Y907 HydrophobicContact SD-CE2 4.15Å; M903-T941 HydrophobicContact SD-CG2 4.29Å |
| 904 | L | 87.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.7 | -36 | -178.2 | -67.2 | 172.2 | 0 | 0 | 0 | 112.6 | E900 M901 Q906 Y907 G908 L916 T920 L944 V945 V948 | E900-L904 HydrophobicContact CG-CD1 4.08Å; E900-L904 HydrophobicContact CG-CG 4.45Å; E900-L904 WeakPolarHBondContact O-CB 3.35Å; E900-L904 WeakPolarHBondContact O-CG 3.44Å; E900-L904 PolarHBondContact O-N 3.01Å; M901-L904 PolarHBondContact O-N 3.24Å; L904-Q906 PolarHBondContact O-N 2.93Å; L904-Y907 PolarHBondContact O-N 3.46Å; L904-G908 PolarHBondContact O-N 2.96Å; L904-L916 HydrophobicContact CB-CD2 4.25Å; L904-T920 WeakPolarHBondContact CD1-OG1 3.31Å; L904-L944 HydrophobicContact CD1-CD1 4.42Å; L904-L944 HydrophobicContact CD1-CD2 3.7Å; L904-L944 HydrophobicContact CD1-CG 3.91Å; L904-L944 HydrophobicContact CD2-CG 4.09Å; L904-V945 HydrophobicContact CD2-CG2 3.78Å; L904-V948 HydrophobicContact CD2-CB 4.3Å; L904-V948 HydrophobicContact CD2-CG2 3.93Å |
| 905 | R | 87.8 | Confident | 84.8 | Confident | 114 Ų | 114 | 52.7 Ų | 52.7 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57 | -34.7 | 172.8 | -74.6 | -175.2 | -167.7 | 124.2 | -2.2 | 111.9 | M901 G908 S909 E913 L916 | M901-R905 WeakPolarHBondContact O-CG 3.47Å; M901-R905 PolarHBondContact O-N 3.33Å; R905-G908 CarbonylContact O-C 3.55Å; R905-S909 WeakPolarHBondContact O-CA 3.38Å; R905-S909 PolarHBondContact O-N 3.19Å; R905-E913 IonicContact CZ-OE1 2.83Å; R905-E913 VanDerWaalsContact CZ-OE1 3.25Å; R905-E913 IonicContact NE-OE1 2.77Å; R905-E913 PolarHBondContact NE-OE1 3.25Å; R905-E913 IonicContact NH2-OE1 2.67Å; R905-E913 PolarHBondContact NH2-OE1 3.15Å; R905-L916 HydrophobicContact CG-CD1 4.03Å |
| 906 | Q | 85.1 | Confident | 85.4 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -78.1 | -36.3 | 178.1 | -64.5 | -177.6 | 23.8 | 0 | 0 | 112.4 | Y701 E902 M903 L904 | Y701-Q906 HydrophobicContact CD1-CB 3.72Å; Y701-Q906 HydrophobicContact CD1-CG 4.4Å; Y701-Q906 HydrophobicContact CD2-CB 3.6Å; Y701-Q906 HydrophobicContact CE1-CB 4.02Å; Y701-Q906 HydrophobicContact CE2-CB 3.92Å; Y701-Q906 HydrophobicContact CG-CB 3.53Å; Y701-Q906 HydrophobicContact CG-CG 4.39Å; E902-Q906 WeakPolarHBondContact O-CG 3.42Å; E902-Q906 PolarHBondContact O-N 3.47Å; M903-Q906 PolarHBondContact O-N 3.4Å; L904-Q906 PolarHBondContact O-N 2.93Å |
| 907 | Y | 85.4 | Confident | 85.9 | Confident | 18 Ų | 18 | 52 Ų | 52 | 7% | 0.071 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.7 | -28.3 | 173.7 | -80.3 | -65.3 | 0 | 0 | 0 | 113.8 | Y701 K735 M903 L904 V945 R949 | Y701-Y907 AromaticContact CD2-CD1 3.82Å; Y701-Y907 HydrophobicContact CD2-CD1 3.82Å; Y701-Y907 AromaticContact CD2-CD2 3.54Å; Y701-Y907 HydrophobicContact CD2-CD2 3.54Å; Y701-Y907 AromaticContact CD2-CE1 3.61Å; Y701-Y907 HydrophobicContact CD2-CE1 3.61Å; Y701-Y907 AromaticContact CD2-CE2 3.39Å; Y701-Y907 HydrophobicContact CD2-CE2 3.39Å; Y701-Y907 AromaticContact CD2-CG 3.73Å; Y701-Y907 HydrophobicContact CD2-CG 3.73Å; Y701-Y907 AromaticContact CD2-CZ 3.41Å; Y701-Y907 VanDerWaalsContact CD2-CZ 3.41Å; Y701-Y907 AromaticContact CE2-CD1 3.29Å; Y701-Y907 HydrophobicContact CE2-CD1 3.29Å; Y701-Y907 AromaticContact CE2-CD2 3.88Å; Y701-Y907 HydrophobicContact CE2-CD2 3.88Å; Y701-Y907 AromaticContact CE2-CE1 3.3Å; Y701-Y907 HydrophobicContact CE2-CE1 3.3Å; Y701-Y907 AromaticContact CE2-CE2 3.96Å; Y701-Y907 HydrophobicContact CE2-CE2 3.96Å; Y701-Y907 AromaticContact CE2-CG 3.54Å; Y701-Y907 HydrophobicContact CE2-CG 3.54Å; Y701-Y907 AromaticContact CE2-CZ 3.66Å; Y701-Y907 HydrophobicContact CG-CE2 4.46Å; K735-Y907 PolarHBondContact NZ-OH 2.87Å; M903-Y907 HydrophobicContact CG-CD2 4.01Å; M903-Y907 HydrophobicContact CG-CE2 3.77Å; M903-Y907 WeakPolarHBondContact O-CD2 3.26Å; M903-Y907 PolarHBondContact O-N 2.85Å; M903-Y907 HydrophobicContact SD-CE2 4.15Å; L904-Y907 PolarHBondContact O-N 3.46Å; Y907-V945 HydrophobicContact CD1-CG1 4.03Å; Y907-V945 HydrophobicContact CD2-CG1 3.8Å; Y907-V945 HydrophobicContact CD2-CG2 4.02Å; Y907-V945 HydrophobicContact CE1-CG1 4.3Å; Y907-V945 HydrophobicContact CE2-CG1 4.02Å; Y907-V945 HydrophobicContact CE2-CG2 4.19Å; Y907-V945 HydrophobicContact CG-CG1 3.83Å; Y907-R949 HydrophobicContact CD1-CG 4.48Å |
| 908 | G | 85.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | trans | -132.8 | 63.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L904 R905 N910 V911 Q952 | L904-G908 PolarHBondContact O-N 2.96Å; R905-G908 CarbonylContact O-C 3.55Å; G908-N910 PolarHBondContact O-N 3.4Å; G908-V911 WeakPolarHBondContact O-CB 3.45Å; G908-V911 PolarHBondContact O-N 2.76Å; G908-Q952 VanDerWaalsContact CA-OE1 3.29Å | ||
| 909 | S | 84.7 | Confident | 86.8 | Confident | 88 Ų | 88 | 45.9 Ų | 45.9 | 62% | 0.615 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.4 | -176.9 | 57.8 | 0 | 0 | 0 | 0 | 114.7 | R905 Q952 | R905-S909 WeakPolarHBondContact O-CA 3.38Å; R905-S909 PolarHBondContact O-N 3.19Å; S909-Q952 PolarHBondContact OG-NE2 3.39Å |
| 910 | N | 87.4 | Confident | 87.3 | Confident | 126 Ų | 126 | 45.8 Ų | 45.8 | 67% | 0.674 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -4.6 | 178.5 | -60.1 | -18.6 | 0 | 0 | 0 | 112.3 | G908 Q952 | G908-N910 PolarHBondContact O-N 3.4Å; N910-Q952 PolarHBondContact ND2-NE2 2.76Å |
| 911 | V | 89 | Confident | 87.6 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -78.5 | 129 | 177.4 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | G908 E913 V915 L916 V948 L951 Q952 | G908-V911 WeakPolarHBondContact O-CB 3.45Å; G908-V911 PolarHBondContact O-N 2.76Å; V911-E913 PolarHBondContact O-N 2.97Å; V911-V915 HydrophobicContact CG1-CB 4.24Å; V911-V915 HydrophobicContact CG1-CG1 4.16Å; V911-L916 HydrophobicContact CB-CD2 4.15Å; V911-L916 HydrophobicContact CB-CG 4.49Å; V911-L916 HydrophobicContact CG1-CD2 3.78Å; V911-L916 HydrophobicContact CG1-CG 4.16Å; V911-V948 HydrophobicContact CG2-CG1 4.22Å; V911-L951 HydrophobicContact CG1-CB 4.41Å; V911-L951 HydrophobicContact CG1-CD1 4.4Å; V911-L951 HydrophobicContact CG2-CB 3.9Å; V911-Q952 HydrophobicContact CG2-CB 4.13Å |
| 912 | P | 88.6 | Confident | 87.8 | Confident | 77 Ų | 77 | 46.5 Ų | 46.5 | 50% | 0.5 | 25% | 0.251 | S | S | . | . | trans | -56.8 | 134.7 | -178.6 | -25.4 | 33.4 | 0 | 0 | 0 | 112.4 | S914 V915 L916 | P912-S914 PolarHBondContact O-N 3.41Å; P912-S914 VanDerWaalsContact O-N 3.16Å; P912-V915 HydrophobicContact CB-CG2 4.14Å; P912-V915 HydrophobicContact CG-CG2 4.38Å; P912-V915 WeakPolarHBondContact O-CA 3.32Å; P912-V915 WeakPolarHBondContact O-CB 3.44Å; P912-V915 PolarHBondContact O-N 2.92Å; P912-L916 PolarHBondContact O-N 2.97Å | ||
| 913 | E | 89 | Confident | 88.3 | Confident | 105 Ų | 105 | 43.7 Ų | 43.7 | 49% | 0.491 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.2 | -32.7 | -177.5 | -175.3 | 163.3 | -152.9 | 0 | 0 | 112.7 | R905 V911 V915 L916 V917 | R905-E913 IonicContact CZ-OE1 2.83Å; R905-E913 VanDerWaalsContact CZ-OE1 3.25Å; R905-E913 IonicContact NE-OE1 2.77Å; R905-E913 PolarHBondContact NE-OE1 3.25Å; R905-E913 IonicContact NH2-OE1 2.67Å; R905-E913 PolarHBondContact NH2-OE1 3.15Å; V911-E913 PolarHBondContact O-N 2.97Å; E913-V915 VanDerWaalsContact C-N 3.27Å; E913-V915 PolarHBondContact O-N 3.48Å; E913-L916 PolarHBondContact O-N 3.27Å; E913-V917 HydrophobicContact CG-CG2 4.49Å; E913-V917 WeakPolarHBondContact O-CG2 3.35Å; E913-V917 PolarHBondContact O-N 3.16Å |
| 914 | S | 87.7 | Confident | 88.4 | Confident | 79 Ų | 79 | 46 Ų | 46 | 55% | 0.552 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60.8 | -34.9 | 173.7 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | P912 K918 | P912-S914 PolarHBondContact O-N 3.41Å; P912-S914 VanDerWaalsContact O-N 3.16Å; S914-K918 VanDerWaalsContact O-CG 3.3Å; S914-K918 WeakPolarHBondContact O-CG 3.34Å; S914-K918 PolarHBondContact O-N 3.44Å |
| 915 | V | 89.4 | Confident | 88.4 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.7 | -42.7 | 176.6 | 175.1 | 0 | 0 | 0 | 0 | 110.3 | V911 P912 E913 V917 K918 L919 L951 L959 | V911-V915 HydrophobicContact CG1-CB 4.24Å; V911-V915 HydrophobicContact CG1-CG1 4.16Å; P912-V915 HydrophobicContact CB-CG2 4.14Å; P912-V915 HydrophobicContact CG-CG2 4.38Å; P912-V915 WeakPolarHBondContact O-CA 3.32Å; P912-V915 WeakPolarHBondContact O-CB 3.44Å; P912-V915 PolarHBondContact O-N 2.92Å; E913-V915 VanDerWaalsContact C-N 3.27Å; E913-V915 PolarHBondContact O-N 3.48Å; V915-V917 PolarHBondContact O-N 2.98Å; V915-K918 PolarHBondContact O-N 3.19Å; V915-L919 HydrophobicContact CG1-CD1 4.03Å; V915-L919 HydrophobicContact CG1-CG 4.45Å; V915-L919 WeakPolarHBondContact O-CG 3.21Å; V915-L919 PolarHBondContact O-N 3.47Å; V915-L951 HydrophobicContact CG1-CD1 4.08Å; V915-L959 HydrophobicContact CG1-CD1 3.61Å; V915-L959 HydrophobicContact CG1-CD2 4.02Å; V915-L959 HydrophobicContact CG1-CG 4.39Å |
| 916 | L | 90.5 | Very high | 88.4 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 176.2 | -60.6 | -179.2 | 0 | 0 | 0 | 111.2 | M901 L904 R905 V911 P912 E913 K918 L919 T920 V948 | M901-L916 HydrophobicContact CE-CB 4.43Å; M901-L916 HydrophobicContact SD-CB 3.64Å; L904-L916 HydrophobicContact CB-CD2 4.25Å; R905-L916 HydrophobicContact CG-CD1 4.03Å; V911-L916 HydrophobicContact CB-CD2 4.15Å; V911-L916 HydrophobicContact CB-CG 4.49Å; V911-L916 HydrophobicContact CG1-CD2 3.78Å; V911-L916 HydrophobicContact CG1-CG 4.16Å; P912-L916 PolarHBondContact O-N 2.97Å; E913-L916 PolarHBondContact O-N 3.27Å; L916-K918 PolarHBondContact O-N 2.93Å; L916-L919 PolarHBondContact O-N 2.9Å; L916-T920 PolarHBondContact O-N 2.64Å; L916-T920 PolarHBondContact O-OG1 2.96Å; L916-V948 HydrophobicContact CD2-CB 4.43Å; L916-V948 HydrophobicContact CD2-CG1 3.85Å; L916-V948 HydrophobicContact CD2-CG2 3.64Å |
| 917 | V | 90.6 | Very high | 88.4 | Confident | 63 Ų | 63 | 39.4 Ų | 39.4 | 38% | 0.382 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.6 | -47.8 | 176.2 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | F897 M901 E913 V915 A921 | F897-V917 HydrophobicContact CZ-CG1 4.31Å; M901-V917 VanDerWaalsContact CE-CA 3.49Å; M901-V917 HydrophobicContact CE-CB 4.25Å; M901-V917 HydrophobicContact CE-CG2 3.79Å; M901-V917 HydrophobicContact SD-CG2 4.36Å; E913-V917 HydrophobicContact CG-CG2 4.49Å; E913-V917 WeakPolarHBondContact O-CG2 3.35Å; E913-V917 PolarHBondContact O-N 3.16Å; V915-V917 PolarHBondContact O-N 2.98Å; V917-A921 VanDerWaalsContact O-CB 3.29Å; V917-A921 WeakPolarHBondContact O-CB 3.21Å; V917-A921 PolarHBondContact O-N 2.88Å |
| 918 | K | 89.7 | Confident | 88.1 | Confident | 84 Ų | 84 | 40.9 Ų | 40.9 | 37% | 0.365 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 178.3 | -72.9 | 177.1 | 174.7 | -168.3 | 0 | 111.9 | S914 V915 L916 A922 H987 G988 I989 | S914-K918 VanDerWaalsContact O-CG 3.3Å; S914-K918 WeakPolarHBondContact O-CG 3.34Å; S914-K918 PolarHBondContact O-N 3.44Å; V915-K918 PolarHBondContact O-N 3.19Å; L916-K918 PolarHBondContact O-N 2.93Å; K918-A922 WeakPolarHBondContact O-CB 3.34Å; K918-A922 PolarHBondContact O-N 2.61Å; K918-H987 WeakPolarHBondContact CG-O 3.08Å; K918-G988 PolarHBondContact NZ-O 2.98Å; K918-I989 HydrophobicContact CB-CG1 4.23Å |
| 919 | L | 91.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -48.7 | -179.1 | -73.9 | 172.6 | 0 | 0 | 0 | 111.9 | V915 L916 A921 A922 F923 L944 I947 V948 L951 L959 V963 I989 | V915-L919 HydrophobicContact CG1-CD1 4.03Å; V915-L919 HydrophobicContact CG1-CG 4.45Å; V915-L919 WeakPolarHBondContact O-CG 3.21Å; V915-L919 PolarHBondContact O-N 3.47Å; L916-L919 PolarHBondContact O-N 2.9Å; L919-A921 VanDerWaalsContact C-N 3.34Å; L919-A921 PolarHBondContact O-N 3.06Å; L919-A922 PolarHBondContact O-N 3.39Å; L919-F923 WeakPolarHBondContact O-CD2 3.16Å; L919-F923 PolarHBondContact O-N 3.21Å; L919-L944 HydrophobicContact CB-CD1 3.61Å; L919-L944 HydrophobicContact CD1-CD1 4.2Å; L919-L944 HydrophobicContact CD2-CD1 4.47Å; L919-L944 HydrophobicContact CG-CD1 4.33Å; L919-I947 HydrophobicContact CD1-CG2 4.05Å; L919-I947 HydrophobicContact CD2-CG2 4.36Å; L919-V948 HydrophobicContact CD1-CG2 4.1Å; L919-L951 HydrophobicContact CD1-CD1 4.37Å; L919-L959 HydrophobicContact CD1-CD1 4.03Å; L919-L959 HydrophobicContact CD2-CD1 3.98Å; L919-L959 HydrophobicContact CG-CD1 4.14Å; L919-V963 HydrophobicContact CD2-CG2 3.86Å; L919-I989 HydrophobicContact CD2-CD1 4.11Å |
| 920 | T | 90.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 178.7 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | F897 E900 M901 L904 L916 N924 | F897-T920 HydrophobicContact CD2-CG2 3.53Å; F897-T920 HydrophobicContact CE2-CG2 3.69Å; F897-T920 HydrophobicContact CG-CG2 4.22Å; F897-T920 HydrophobicContact CZ-CG2 4.49Å; E900-T920 HydrophobicContact CB-CG2 4.06Å; E900-T920 HydrophobicContact CG-CG2 4.09Å; M901-T920 HydrophobicContact CE-CG2 4.24Å; M901-T920 WeakPolarHBondContact CE-OG1 3.48Å; L904-T920 WeakPolarHBondContact CD1-OG1 3.31Å; L916-T920 PolarHBondContact O-N 2.64Å; L916-T920 PolarHBondContact O-OG1 2.96Å; T920-N924 VanDerWaalsContact O-CB 3.29Å; T920-N924 WeakPolarHBondContact O-CB 3.22Å; T920-N924 PolarHBondContact O-N 3Å |
| 921 | A | 89.8 | Confident | 86.2 | Confident | 23 Ų | 23 | 37 Ų | 37 | 19% | 0.19 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F897 V917 L919 N924 E925 | F897-A921 HydrophobicContact CE2-CB 4.19Å; V917-A921 VanDerWaalsContact O-CB 3.29Å; V917-A921 WeakPolarHBondContact O-CB 3.21Å; V917-A921 PolarHBondContact O-N 2.88Å; L919-A921 VanDerWaalsContact C-N 3.34Å; L919-A921 PolarHBondContact O-N 3.06Å; A921-N924 PolarHBondContact O-N 2.73Å; A921-E925 PolarHBondContact O-N 3.1Å; A921-E925 VanDerWaalsContact O-N 3.13Å |
| 922 | A | 89.4 | Confident | 85 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -48.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K918 L919 N924 E925 L926 V983 H987 I989 | K918-A922 WeakPolarHBondContact O-CB 3.34Å; K918-A922 PolarHBondContact O-N 2.61Å; L919-A922 PolarHBondContact O-N 3.39Å; A922-N924 VanDerWaalsContact C-N 3.32Å; A922-N924 PolarHBondContact O-N 2.99Å; A922-E925 PolarHBondContact O-N 3.3Å; A922-L926 WeakPolarHBondContact O-CG 3.36Å; A922-L926 PolarHBondContact O-N 3.06Å; A922-V983 HydrophobicContact CB-CG1 4.26Å; A922-H987 HydrophobicContact CB-CB 4.11Å; A922-I989 HydrophobicContact CB-CD1 3.55Å |
| 923 | F | 90.9 | Very high | 83.8 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -36.8 | 179.1 | -88.7 | -106.9 | 0 | 0 | 0 | 112.2 | L919 L926 R927 E943 L944 I947 F967 | L919-F923 WeakPolarHBondContact O-CD2 3.16Å; L919-F923 PolarHBondContact O-N 3.21Å; F923-L926 PolarHBondContact O-N 3.43Å; F923-R927 VanDerWaalsContact O-CG 3.29Å; F923-R927 WeakPolarHBondContact O-CG 3.45Å; F923-R927 PolarHBondContact O-N 2.83Å; F923-E943 HydrophobicContact CE1-CB 4.3Å; F923-L944 HydrophobicContact CB-CD2 4.13Å; F923-L944 HydrophobicContact CD1-CB 3.98Å; F923-L944 HydrophobicContact CD2-CD1 3.98Å; F923-L944 HydrophobicContact CD2-CD2 4.42Å; F923-L944 HydrophobicContact CE1-CB 3.96Å; F923-L944 HydrophobicContact CE2-CB 4.5Å; F923-L944 HydrophobicContact CE2-CD1 4.03Å; F923-L944 HydrophobicContact CG-CB 4.26Å; F923-L944 HydrophobicContact CG-CD1 4.42Å; F923-L944 HydrophobicContact CG-CD2 4.11Å; F923-L944 HydrophobicContact CZ-CB 4.23Å; F923-I947 HydrophobicContact CE2-CD1 3.96Å; F923-I947 HydrophobicContact CZ-CD1 3.72Å; F923-F967 HydrophobicContact CE2-CZ 4.18Å; F923-F967 HydrophobicContact CZ-CZ 4.15Å |
| 924 | N | 87.9 | Confident | 82.9 | Confident | 65 Ų | 65 | 41.9 Ų | 41.9 | 35% | 0.348 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65 | -39.5 | 176 | -162.5 | 18.1 | 0 | 0 | 0 | 112 | T920 A921 A922 T928 | T920-N924 VanDerWaalsContact O-CB 3.29Å; T920-N924 WeakPolarHBondContact O-CB 3.22Å; T920-N924 PolarHBondContact O-N 3Å; A921-N924 PolarHBondContact O-N 2.73Å; A922-N924 VanDerWaalsContact C-N 3.32Å; A922-N924 PolarHBondContact O-N 2.99Å; N924-T928 WeakPolarHBondContact O-CB 3.47Å; N924-T928 PolarHBondContact O-N 3.39Å; N924-T928 PolarHBondContact O-OG1 3.02Å |
| 925 | E | 87.4 | Confident | 82 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 23% | 0.234 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66 | -42.6 | 173.4 | -176.3 | 164.7 | -179.9 | 0 | 0 | 111.8 | A921 A922 R927 T928 L929 V983 K986 H987 | A921-E925 PolarHBondContact O-N 3.1Å; A921-E925 VanDerWaalsContact O-N 3.13Å; A922-E925 PolarHBondContact O-N 3.3Å; E925-R927 PolarHBondContact O-N 2.95Å; E925-T928 WeakPolarHBondContact O-CB 3.32Å; E925-T928 PolarHBondContact O-N 3.31Å; E925-L929 HydrophobicContact CG-CD1 4.5Å; E925-L929 WeakPolarHBondContact O-CG 3.38Å; E925-L929 PolarHBondContact O-N 3.26Å; E925-V983 HydrophobicContact CB-CG1 4.08Å; E925-V983 HydrophobicContact CG-CG1 4.15Å; E925-V983 HydrophobicContact CG-CG2 4.14Å; E925-K986 IonicContact OE1-NZ 3.73Å; E925-K986 PolarHBondContact OE1-NZ 3.26Å; E925-K986 IonicContact OE2-NZ 3.59Å; E925-K986 PolarHBondContact OE2-NZ 3.18Å; E925-H987 IonicContact OE2-CD2 2.7Å; E925-H987 IonicContact OE2-CE1 3.37Å; E925-H987 IonicContact OE2-NE2 3.47Å; E925-H987 PolarHBondContact OE2-NE2 3.37Å |
| 926 | L | 87.7 | Confident | 81 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.4 | -68.6 | 171.7 | 0 | 0 | 0 | 112.3 | A922 F923 T928 L929 A930 L935 Y939 F967 I980 V983 | A922-L926 WeakPolarHBondContact O-CG 3.36Å; A922-L926 PolarHBondContact O-N 3.06Å; F923-L926 PolarHBondContact O-N 3.43Å; L926-T928 VanDerWaalsContact C-N 3.32Å; L926-T928 PolarHBondContact O-N 3.49Å; L926-L929 WeakPolarHBondContact O-CB 3.46Å; L926-L929 PolarHBondContact O-N 3.09Å; L926-A930 PolarHBondContact O-N 2.84Å; L926-L935 HydrophobicContact CD2-CD1 3.74Å; L926-Y939 HydrophobicContact CB-CD2 3.73Å; L926-Y939 HydrophobicContact CB-CE2 4.27Å; L926-Y939 HydrophobicContact CD1-CD2 3.95Å; L926-Y939 HydrophobicContact CD1-CE2 4.19Å; L926-Y939 HydrophobicContact CD1-CG 4.41Å; L926-Y939 HydrophobicContact CD2-CE2 4.33Å; L926-Y939 HydrophobicContact CG-CD2 4.3Å; L926-F967 HydrophobicContact CD1-CE1 3.67Å; L926-F967 HydrophobicContact CD1-CZ 3.53Å; L926-I980 HydrophobicContact CD2-CG1 4.31Å; L926-V983 HydrophobicContact CD2-CB 4.02Å; L926-V983 HydrophobicContact CD2-CG1 4.13Å; L926-V983 HydrophobicContact CD2-CG2 4Å; L926-V983 HydrophobicContact CG-CB 4.49Å; L926-V983 HydrophobicContact CG-CG1 4.05Å |
| 927 | R | 84.9 | Confident | 80.2 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 173.9 | -70 | 169.3 | -165.6 | 146.7 | 5 | 111.7 | E900 F923 E925 L929 A930 D931 Y939 T941 | E900-R927 VanDerWaalsContact CD-NH1 3.33Å; E900-R927 IonicContact OE1-CZ 2.87Å; E900-R927 IonicContact OE1-NH1 2.79Å; E900-R927 PolarHBondContact OE1-NH1 3.29Å; E900-R927 VanDerWaalsContact OE1-NH1 3.09Å; E900-R927 IonicContact OE1-NH2 2.94Å; E900-R927 PolarHBondContact OE1-NH2 3.09Å; E900-R927 IonicContact OE2-CZ 3.08Å; E900-R927 IonicContact OE2-NH1 3.61Å; E900-R927 PolarHBondContact OE2-NH1 3.26Å; E900-R927 IonicContact OE2-NH2 2.83Å; F923-R927 VanDerWaalsContact O-CG 3.29Å; F923-R927 WeakPolarHBondContact O-CG 3.45Å; F923-R927 PolarHBondContact O-N 2.83Å; E925-R927 PolarHBondContact O-N 2.95Å; R927-L929 VanDerWaalsContact C-N 3.3Å; R927-L929 PolarHBondContact O-N 3.08Å; R927-A930 PolarHBondContact O-N 2.79Å; R927-D931 WeakPolarHBondContact O-CB 3.44Å; R927-D931 PolarHBondContact O-N 2.93Å; R927-Y939 VanDerWaalsContact CG-O 3.29Å; R927-Y939 WeakPolarHBondContact CG-O 3.25Å; R927-Y939 PolarHBondContact NE-O 3.25Å; R927-T941 PolarHBondContact NH2-OG1 2.93Å |
| 928 | T | 79.6 | Confident | 79.3 | Confident | 49 Ų | 49 | 48.2 Ų | 48.2 | 30% | 0.301 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 176 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | N924 E925 L926 R932 | N924-T928 WeakPolarHBondContact O-CB 3.47Å; N924-T928 PolarHBondContact O-N 3.39Å; N924-T928 PolarHBondContact O-OG1 3.02Å; E925-T928 WeakPolarHBondContact O-CB 3.32Å; E925-T928 PolarHBondContact O-N 3.31Å; L926-T928 VanDerWaalsContact C-N 3.32Å; L926-T928 PolarHBondContact O-N 3.49Å; T928-R932 VanDerWaalsContact O-CG 3.24Å; T928-R932 WeakPolarHBondContact O-CG 3.33Å; T928-R932 PolarHBondContact O-N 3.14Å; T928-R932 VanDerWaalsContact O-N 3.13Å |
| 929 | L | 77.8 | Confident | 79.1 | Confident | 25 Ų | 25 | 44.4 Ų | 44.4 | 13% | 0.131 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.3 | -38.5 | 174.1 | -72 | 173.3 | 0 | 0 | 0 | 111.8 | E925 L926 R927 R932 G933 S934 L935 V983 | E925-L929 HydrophobicContact CG-CD1 4.5Å; E925-L929 WeakPolarHBondContact O-CG 3.38Å; E925-L929 PolarHBondContact O-N 3.26Å; L926-L929 WeakPolarHBondContact O-CB 3.46Å; L926-L929 PolarHBondContact O-N 3.09Å; R927-L929 VanDerWaalsContact C-N 3.3Å; R927-L929 PolarHBondContact O-N 3.08Å; L929-R932 PolarHBondContact O-N 2.76Å; L929-G933 PolarHBondContact O-N 2.89Å; L929-S934 WeakPolarHBondContact O-CB 3.44Å; L929-S934 PolarHBondContact O-N 2.86Å; L929-L935 HydrophobicContact CB-CD1 3.76Å; L929-L935 HydrophobicContact CB-CG 4.17Å; L929-L935 HydrophobicContact CD1-CD1 4.09Å; L929-L935 PolarHBondContact O-N 3.23Å; L929-V983 HydrophobicContact CD1-CG2 3.71Å |
| 930 | A | 71.1 | Confident | 78.8 | Confident | 16 Ų | 16 | 45 Ų | 45 | 13% | 0.132 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.7 | -43.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L926 R927 R932 G933 L935 P938 | L926-A930 PolarHBondContact O-N 2.84Å; R927-A930 PolarHBondContact O-N 2.79Å; A930-R932 PolarHBondContact O-N 3.09Å; A930-G933 WeakPolarHBondContact O-CA 3.41Å; A930-G933 PolarHBondContact O-N 2.72Å; A930-L935 WeakPolarHBondContact CA-O 3.44Å; A930-L935 HydrophobicContact CB-CB 4.29Å; A930-P938 HydrophobicContact CB-CB 4.17Å |
| 931 | D | 67.8 | Low | 78.5 | Confident | 93 Ų | 93 | 45.4 Ų | 45.4 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.8 | -27.1 | 175.5 | -72.9 | -18.8 | 0 | 0 | 0 | 112.5 | R927 G933 | R927-D931 WeakPolarHBondContact O-CB 3.44Å; R927-D931 PolarHBondContact O-N 2.93Å; D931-G933 VanDerWaalsContact C-N 3.32Å |
| 932 | R | 64.9 | Low | 78.2 | Confident | 182 Ų | 182 | 52.9 Ų | 52.9 | 69% | 0.687 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -1 | 172.8 | -69.5 | 174.1 | -172.3 | -172 | 4 | 113.5 | T928 L929 A930 S934 | T928-R932 VanDerWaalsContact O-CG 3.24Å; T928-R932 WeakPolarHBondContact O-CG 3.33Å; T928-R932 PolarHBondContact O-N 3.14Å; T928-R932 VanDerWaalsContact O-N 3.13Å; L929-R932 PolarHBondContact O-N 2.76Å; A930-R932 PolarHBondContact O-N 3.09Å; R932-S934 PolarHBondContact O-N 3.05Å |
| 933 | G | 63.3 | Low | 78.2 | Confident | 49 Ų | 49 | 54.3 Ų | 54.3 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 13 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L929 A930 D931 | L929-G933 PolarHBondContact O-N 2.89Å; A930-G933 WeakPolarHBondContact O-CA 3.41Å; A930-G933 PolarHBondContact O-N 2.72Å; D931-G933 VanDerWaalsContact C-N 3.32Å |
| 934 | S | 68.3 | Low | 78.1 | Confident | 65 Ų | 65 | 54.3 Ų | 54.3 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -78.2 | -23.5 | 175.3 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | L929 R932 L979 | L929-S934 WeakPolarHBondContact O-CB 3.44Å; L929-S934 PolarHBondContact O-N 2.86Å; R932-S934 PolarHBondContact O-N 3.05Å; S934-L979 WeakPolarHBondContact O-CD1 3.47Å |
| 935 | L | 70.6 | Confident | 78.1 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -122 | 139.4 | 170.5 | -74.1 | 168 | 0 | 0 | 0 | 108.1 | L926 L929 A930 Y939 A976 L979 | L926-L935 HydrophobicContact CD2-CD1 3.74Å; L929-L935 HydrophobicContact CB-CD1 3.76Å; L929-L935 HydrophobicContact CB-CG 4.17Å; L929-L935 HydrophobicContact CD1-CD1 4.09Å; L929-L935 PolarHBondContact O-N 3.23Å; A930-L935 WeakPolarHBondContact CA-O 3.44Å; A930-L935 HydrophobicContact CB-CB 4.29Å; L935-Y939 HydrophobicContact CD1-CE2 4.26Å; L935-A976 HydrophobicContact CD2-CB 3.99Å; L935-L979 HydrophobicContact CD2-CB 4.07Å; L935-L979 HydrophobicContact CD2-CD1 4.08Å; L935-L979 HydrophobicContact CG-CD1 4.43Å |
| 936 | E | 68 | Low | 78.2 | Confident | 144 Ų | 144 | 53.1 Ų | 53.1 | 67% | 0.673 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -76.6 | -38.3 | 179.6 | -66.6 | 178.8 | 179.8 | 0 | 0 | 112.1 | ||
| 937 | Y | 72.7 | Confident | 78.3 | Confident | 105 Ų | 105 | 53.2 Ų | 53.2 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -97 | 122.1 | -174.6 | -175.7 | -104.6 | 0 | 0 | 0 | 112.1 | Y939 E943 | Y937-Y939 AromaticContact CD1-CD1 3.8Å; Y937-Y939 HydrophobicContact CD1-CD1 3.8Å; Y937-Y939 AromaticContact CD1-CE1 3.71Å; Y937-Y939 HydrophobicContact CD1-CE1 3.71Å; Y937-Y939 HydrophobicContact CD1-CG 4.27Å; Y937-Y939 AromaticContact CE1-CD1 3.83Å; Y937-Y939 HydrophobicContact CE1-CD1 3.83Å; Y937-Y939 HydrophobicContact CE1-CE1 4.06Å; Y937-Y939 HydrophobicContact CE1-CG 4.47Å; Y937-Y939 PolarHBondContact O-N 3.43Å; Y937-E943 WeakPolarHBondContact CE1-OE1 2.94Å; Y937-E943 PolarHBondContact OH-OE1 2.88Å |
| 938 | P | 73.1 | Confident | 78.6 | Confident | 51 Ų | 51 | 53 Ų | 53 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | trans | -84.8 | 108.8 | 176.1 | 31.6 | -31.5 | 0 | 0 | 0 | 111.4 | A930 S940 | A930-P938 HydrophobicContact CB-CB 4.17Å; P938-S940 PolarHBondContact O-N 3.12Å | ||
| 939 | Y | 84.4 | Confident | 79 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | trans | -66.2 | 125.6 | 178 | -59.5 | -82.1 | 0 | 0 | 0 | 112.8 | L926 R927 L935 Y937 E943 V966 F967 D970 I980 | L926-Y939 HydrophobicContact CB-CD2 3.73Å; L926-Y939 HydrophobicContact CB-CE2 4.27Å; L926-Y939 HydrophobicContact CD1-CD2 3.95Å; L926-Y939 HydrophobicContact CD1-CE2 4.19Å; L926-Y939 HydrophobicContact CD1-CG 4.41Å; L926-Y939 HydrophobicContact CD2-CE2 4.33Å; L926-Y939 HydrophobicContact CG-CD2 4.3Å; R927-Y939 VanDerWaalsContact CG-O 3.29Å; R927-Y939 WeakPolarHBondContact CG-O 3.25Å; R927-Y939 PolarHBondContact NE-O 3.25Å; L935-Y939 HydrophobicContact CD1-CE2 4.26Å; Y937-Y939 AromaticContact CD1-CD1 3.8Å; Y937-Y939 HydrophobicContact CD1-CD1 3.8Å; Y937-Y939 AromaticContact CD1-CE1 3.71Å; Y937-Y939 HydrophobicContact CD1-CE1 3.71Å; Y937-Y939 HydrophobicContact CD1-CG 4.27Å; Y937-Y939 AromaticContact CE1-CD1 3.83Å; Y937-Y939 HydrophobicContact CE1-CD1 3.83Å; Y937-Y939 HydrophobicContact CE1-CE1 4.06Å; Y937-Y939 HydrophobicContact CE1-CG 4.47Å; Y937-Y939 PolarHBondContact O-N 3.43Å; Y939-E943 WeakPolarHBondContact CA-OE2 3.4Å; Y939-V966 HydrophobicContact CD1-CG1 4Å; Y939-V966 HydrophobicContact CE1-CG1 4.3Å; Y939-F967 HydrophobicContact CD1-CD1 4.27Å; Y939-F967 AromaticContact CD1-CE1 3.73Å; Y939-F967 HydrophobicContact CD1-CE1 3.73Å; Y939-F967 HydrophobicContact CD2-CE1 4.44Å; Y939-F967 AromaticContact CE1-CD1 3.54Å; Y939-F967 HydrophobicContact CE1-CD1 3.54Å; Y939-F967 AromaticContact CE1-CE1 3.39Å; Y939-F967 HydrophobicContact CE1-CE1 3.39Å; Y939-F967 HydrophobicContact CE2-CE1 4.13Å; Y939-F967 HydrophobicContact CG-CE1 4.24Å; Y939-F967 AromaticContact CZ-CD1 3.79Å; Y939-F967 AromaticContact CZ-CE1 3.61Å; Y939-D970 PolarHBondContact OH-OD1 2.91Å; Y939-D970 PolarHBondContact OH-OD2 2.93Å; Y939-I980 WeakPolarHBondContact OH-CD1 3.44Å | ||
| 940 | S | 85.1 | Confident | 79.7 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | trans | -87.1 | 158.5 | -171.8 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | P938 R942 E943 L944 | P938-S940 PolarHBondContact O-N 3.12Å; S940-R942 PolarHBondContact O-N 3.14Å; S940-E943 PolarHBondContact N-OE2 2.96Å; S940-E943 PolarHBondContact O-N 3.16Å; S940-E943 WeakPolarHBondContact OG-CG 3.5Å; S940-E943 PolarHBondContact OG-N 3.04Å; S940-E943 PolarHBondContact OG-OE2 3.29Å; S940-L944 PolarHBondContact O-N 3.01Å | ||
| 941 | T | 84 | Confident | 80.6 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.1 | -27.6 | 169.4 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | P895 E900 M903 R927 E943 L944 V945 | P895-T941 WeakPolarHBondContact CD-OG1 3.07Å; P895-T941 HydrophobicContact CG-CG2 4.16Å; P895-T941 WeakPolarHBondContact CG-OG1 3.49Å; E900-T941 HydrophobicContact CG-CG2 4.34Å; E900-T941 WeakPolarHBondContact OE1-CB 3.36Å; E900-T941 VanDerWaalsContact OE1-CG2 3.28Å; E900-T941 WeakPolarHBondContact OE1-CG2 3.3Å; E900-T941 PolarHBondContact OE1-OG1 3.11Å; M903-T941 HydrophobicContact SD-CG2 4.29Å; R927-T941 PolarHBondContact NH2-OG1 2.93Å; T941-E943 PolarHBondContact O-N 3.38Å; T941-L944 PolarHBondContact O-N 3.41Å; T941-V945 HydrophobicContact CG2-CG2 4.19Å; T941-V945 VanDerWaalsContact O-CG2 3.3Å; T941-V945 WeakPolarHBondContact O-CG2 3.38Å; T941-V945 PolarHBondContact O-N 3.48Å |
| 942 | R | 84.2 | Confident | 81.7 | Confident | 180 Ų | 180 | 53.7 Ų | 53.7 | 68% | 0.679 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.3 | -42.4 | 176.7 | -176.9 | 179.4 | 177.4 | 174.4 | -1.5 | 112.2 | S940 V945 N946 | S940-R942 PolarHBondContact O-N 3.14Å; R942-V945 PolarHBondContact O-N 2.78Å; R942-N946 VanDerWaalsContact O-CG 3.31Å; R942-N946 PolarHBondContact O-N 3.42Å |
| 943 | E | 88.7 | Confident | 82.9 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 176.4 | -73.2 | 156.8 | 152.2 | 0 | 0 | 111.2 | F923 Y937 Y939 S940 T941 V945 N946 I947 V966 | F923-E943 HydrophobicContact CE1-CB 4.3Å; Y937-E943 WeakPolarHBondContact CE1-OE1 2.94Å; Y937-E943 PolarHBondContact OH-OE1 2.88Å; Y939-E943 WeakPolarHBondContact CA-OE2 3.4Å; S940-E943 PolarHBondContact N-OE2 2.96Å; S940-E943 PolarHBondContact O-N 3.16Å; S940-E943 WeakPolarHBondContact OG-CG 3.5Å; S940-E943 PolarHBondContact OG-N 3.04Å; S940-E943 PolarHBondContact OG-OE2 3.29Å; T941-E943 PolarHBondContact O-N 3.38Å; E943-V945 PolarHBondContact O-N 3.42Å; E943-N946 WeakPolarHBondContact O-CB 3.41Å; E943-N946 PolarHBondContact O-N 3.21Å; E943-N946 VanDerWaalsContact O-N 3.17Å; E943-I947 WeakPolarHBondContact O-CG1 3.42Å; E943-I947 PolarHBondContact O-N 2.78Å; E943-V966 HydrophobicContact CB-CG1 3.99Å; E943-V966 HydrophobicContact CB-CG2 3.87Å; E943-V966 HydrophobicContact CG-CG1 4.1Å; E943-V966 HydrophobicContact CG-CG2 4.32Å |
| 944 | L | 89.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 176 | 177.9 | 54 | 0 | 0 | 0 | 112.4 | E900 L904 L919 F923 S940 T941 N946 I947 V948 | E900-L944 HydrophobicContact CG-CD2 4.27Å; L904-L944 HydrophobicContact CD1-CD1 4.42Å; L904-L944 HydrophobicContact CD1-CD2 3.7Å; L904-L944 HydrophobicContact CD1-CG 3.91Å; L904-L944 HydrophobicContact CD2-CG 4.09Å; L919-L944 HydrophobicContact CB-CD1 3.61Å; L919-L944 HydrophobicContact CD1-CD1 4.2Å; L919-L944 HydrophobicContact CD2-CD1 4.47Å; L919-L944 HydrophobicContact CG-CD1 4.33Å; F923-L944 HydrophobicContact CB-CD2 4.13Å; F923-L944 HydrophobicContact CD1-CB 3.98Å; F923-L944 HydrophobicContact CD2-CD1 3.98Å; F923-L944 HydrophobicContact CD2-CD2 4.42Å; F923-L944 HydrophobicContact CE1-CB 3.96Å; F923-L944 HydrophobicContact CE2-CB 4.5Å; F923-L944 HydrophobicContact CE2-CD1 4.03Å; F923-L944 HydrophobicContact CG-CB 4.26Å; F923-L944 HydrophobicContact CG-CD1 4.42Å; F923-L944 HydrophobicContact CG-CD2 4.11Å; F923-L944 HydrophobicContact CZ-CB 4.23Å; S940-L944 PolarHBondContact O-N 3.01Å; T941-L944 PolarHBondContact O-N 3.41Å; L944-N946 VanDerWaalsContact C-N 3.27Å; L944-N946 PolarHBondContact O-N 3.31Å; L944-I947 PolarHBondContact O-N 3.43Å; L944-V948 HydrophobicContact CD1-CG2 4.47Å; L944-V948 PolarHBondContact O-N 3.24Å |
| 945 | V | 87.9 | Confident | 84.9 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 174.7 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | L904 Y907 T941 R942 E943 V948 R949 | L904-V945 HydrophobicContact CD2-CG2 3.78Å; Y907-V945 HydrophobicContact CD1-CG1 4.03Å; Y907-V945 HydrophobicContact CD2-CG1 3.8Å; Y907-V945 HydrophobicContact CD2-CG2 4.02Å; Y907-V945 HydrophobicContact CE1-CG1 4.3Å; Y907-V945 HydrophobicContact CE2-CG1 4.02Å; Y907-V945 HydrophobicContact CE2-CG2 4.19Å; Y907-V945 HydrophobicContact CG-CG1 3.83Å; T941-V945 HydrophobicContact CG2-CG2 4.19Å; T941-V945 VanDerWaalsContact O-CG2 3.3Å; T941-V945 WeakPolarHBondContact O-CG2 3.38Å; T941-V945 PolarHBondContact O-N 3.48Å; R942-V945 PolarHBondContact O-N 2.78Å; E943-V945 PolarHBondContact O-N 3.42Å; V945-V948 PolarHBondContact O-N 3.36Å; V945-R949 HydrophobicContact CG1-CG 4.34Å; V945-R949 WeakPolarHBondContact O-CB 3.43Å; V945-R949 WeakPolarHBondContact O-CG 3.33Å; V945-R949 PolarHBondContact O-N 3.03Å |
| 946 | N | 88.5 | Confident | 85.5 | Confident | 81 Ų | 81 | 59.8 Ų | 59.8 | 43% | 0.433 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 176.6 | -74.2 | -13.9 | 0 | 0 | 0 | 112.2 | R942 E943 L944 R949 H950 | R942-N946 VanDerWaalsContact O-CG 3.31Å; R942-N946 PolarHBondContact O-N 3.42Å; E943-N946 WeakPolarHBondContact O-CB 3.41Å; E943-N946 PolarHBondContact O-N 3.21Å; E943-N946 VanDerWaalsContact O-N 3.17Å; L944-N946 VanDerWaalsContact C-N 3.27Å; L944-N946 PolarHBondContact O-N 3.31Å; N946-R949 PolarHBondContact O-N 3.5Å; N946-H950 WeakPolarHBondContact O-CB 3.21Å; N946-H950 PolarHBondContact O-N 2.64Å |
| 947 | I | 90 | Very high | 86.3 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -47 | 173.5 | -64.3 | 168.4 | 0 | 0 | 0 | 110.1 | L919 F923 E943 L944 R949 H950 L951 A962 V963 V966 | L919-I947 HydrophobicContact CD1-CG2 4.05Å; L919-I947 HydrophobicContact CD2-CG2 4.36Å; F923-I947 HydrophobicContact CE2-CD1 3.96Å; F923-I947 HydrophobicContact CZ-CD1 3.72Å; E943-I947 WeakPolarHBondContact O-CG1 3.42Å; E943-I947 PolarHBondContact O-N 2.78Å; L944-I947 PolarHBondContact O-N 3.43Å; I947-R949 PolarHBondContact O-N 3.34Å; I947-H950 WeakPolarHBondContact O-CB 3.2Å; I947-H950 PolarHBondContact O-N 2.94Å; I947-L951 HydrophobicContact CG2-CD1 4.18Å; I947-L951 WeakPolarHBondContact O-CG 2.85Å; I947-L951 PolarHBondContact O-N 3.06Å; I947-A962 HydrophobicContact CG2-CB 4.14Å; I947-V963 HydrophobicContact CD1-CG2 4.31Å; I947-V963 HydrophobicContact CG2-CG2 4.26Å; I947-V966 HydrophobicContact CD1-CB 4.44Å; I947-V966 HydrophobicContact CD1-CG2 3.77Å; I947-V966 HydrophobicContact CG1-CG2 3.92Å |
| 948 | V | 90.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | -179.8 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | L904 V911 L916 L919 L944 V945 H950 L951 Q952 | L904-V948 HydrophobicContact CD2-CB 4.3Å; L904-V948 HydrophobicContact CD2-CG2 3.93Å; V911-V948 HydrophobicContact CG2-CG1 4.22Å; L916-V948 HydrophobicContact CD2-CB 4.43Å; L916-V948 HydrophobicContact CD2-CG1 3.85Å; L916-V948 HydrophobicContact CD2-CG2 3.64Å; L919-V948 HydrophobicContact CD1-CG2 4.1Å; L944-V948 HydrophobicContact CD1-CG2 4.47Å; L944-V948 PolarHBondContact O-N 3.24Å; V945-V948 PolarHBondContact O-N 3.36Å; V948-H950 VanDerWaalsContact C-N 3.32Å; V948-H950 PolarHBondContact O-N 2.87Å; V948-L951 PolarHBondContact O-N 3.41Å; V948-Q952 WeakPolarHBondContact O-CB 3.38Å; V948-Q952 PolarHBondContact O-N 3.18Å |
| 949 | R | 89.2 | Confident | 87.3 | Confident | 96 Ų | 96 | 53.1 Ų | 53.1 | 36% | 0.362 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62 | -39.3 | 173.1 | -77.6 | 176.2 | 176 | -165.9 | -7.7 | 112.4 | Y907 V945 N946 I947 Q952 I953 | Y907-R949 HydrophobicContact CD1-CG 4.48Å; V945-R949 HydrophobicContact CG1-CG 4.34Å; V945-R949 WeakPolarHBondContact O-CB 3.43Å; V945-R949 WeakPolarHBondContact O-CG 3.33Å; V945-R949 PolarHBondContact O-N 3.03Å; N946-R949 PolarHBondContact O-N 3.5Å; I947-R949 PolarHBondContact O-N 3.34Å; R949-Q952 PolarHBondContact O-N 2.97Å; R949-I953 WeakPolarHBondContact O-CG1 3.21Å; R949-I953 PolarHBondContact O-N 3.49Å; R949-I953 VanDerWaalsContact O-N 3.12Å |
| 950 | H | 91 | Very high | 87.2 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 19% | 0.194 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.2 | -50 | 175 | -175.4 | 86.8 | 0 | 0 | 0 | 110.8 | N946 I947 V948 Q952 I953 Y954 D957 | N946-H950 WeakPolarHBondContact O-CB 3.21Å; N946-H950 PolarHBondContact O-N 2.64Å; I947-H950 WeakPolarHBondContact O-CB 3.2Å; I947-H950 PolarHBondContact O-N 2.94Å; V948-H950 VanDerWaalsContact C-N 3.32Å; V948-H950 PolarHBondContact O-N 2.87Å; H950-Q952 VanDerWaalsContact C-N 3.29Å; H950-Q952 PolarHBondContact O-N 2.99Å; H950-I953 PolarHBondContact O-N 2.88Å; H950-Y954 AromaticContact CE1-CD2 3.67Å; H950-Y954 AromaticContact ND1-CD2 3.84Å; H950-Y954 WeakPolarHBondContact O-CB 3.31Å; H950-Y954 PolarHBondContact O-N 2.96Å; H950-D957 IonicContact CD2-OD2 3.24Å; H950-D957 IonicContact CE1-OD2 3.17Å; H950-D957 PolarHBondContact CE1-OD2 3.48Å; H950-D957 IonicContact NE2-OD2 2.84Å; H950-D957 PolarHBondContact NE2-OD2 2.84Å |
| 951 | L | 90.6 | Very high | 87 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.8 | -30.5 | 178.6 | -66.2 | 172.3 | 0 | 0 | 0 | 113.2 | V911 V915 L919 I947 V948 Y954 P955 L959 A962 | V911-L951 HydrophobicContact CG1-CB 4.41Å; V911-L951 HydrophobicContact CG1-CD1 4.4Å; V911-L951 HydrophobicContact CG2-CB 3.9Å; V915-L951 HydrophobicContact CG1-CD1 4.08Å; L919-L951 HydrophobicContact CD1-CD1 4.37Å; I947-L951 HydrophobicContact CG2-CD1 4.18Å; I947-L951 WeakPolarHBondContact O-CG 2.85Å; I947-L951 PolarHBondContact O-N 3.06Å; V948-L951 PolarHBondContact O-N 3.41Å; L951-Y954 CarbonylContact O-C 3.52Å; L951-P955 WeakPolarHBondContact O-CA 3.37Å; L951-L959 HydrophobicContact CD1-CD1 3.72Å; L951-A962 HydrophobicContact CD2-CB 3.72Å; L951-A962 HydrophobicContact CG-CB 4.01Å |
| 952 | Q | 90.2 | Very high | 87 | Confident | 43 Ų | 43 | 55.7 Ų | 55.7 | 20% | 0.201 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.9 | -41 | 175.3 | 179.4 | 67.3 | 16 | 0 | 0 | 111.9 | G908 S909 N910 V911 V948 R949 H950 | G908-Q952 VanDerWaalsContact CA-OE1 3.29Å; S909-Q952 PolarHBondContact OG-NE2 3.39Å; N910-Q952 PolarHBondContact ND2-NE2 2.76Å; V911-Q952 HydrophobicContact CG2-CB 4.13Å; V948-Q952 WeakPolarHBondContact O-CB 3.38Å; V948-Q952 PolarHBondContact O-N 3.18Å; R949-Q952 PolarHBondContact O-N 2.97Å; H950-Q952 VanDerWaalsContact C-N 3.29Å; H950-Q952 PolarHBondContact O-N 2.99Å |
| 953 | I | 90.4 | Very high | 87.1 | Confident | 114 Ų | 114 | 47.4 Ų | 47.4 | 59% | 0.585 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -82.8 | -37.9 | -178.8 | -62.4 | 170.2 | 0 | 0 | 0 | 110.8 | R949 H950 P955 | R949-I953 WeakPolarHBondContact O-CG1 3.21Å; R949-I953 PolarHBondContact O-N 3.49Å; R949-I953 VanDerWaalsContact O-N 3.12Å; H950-I953 PolarHBondContact O-N 2.88Å; I953-P955 VanDerWaalsContact C-CD 3.44Å; I953-P955 VanDerWaalsContact O-CD 3.28Å; I953-P955 WeakPolarHBondContact O-CD 3.33Å |
| 954 | Y | 90.8 | Very high | 86.8 | Confident | 131 Ų | 131 | 49.6 Ų | 49.6 | 51% | 0.514 | 28% | 0.275 | S | S | . | . | trans | -121.1 | 71.6 | -176.9 | -55.3 | -72.2 | 0 | 0 | 0 | 111 | H950 L951 G956 D957 | H950-Y954 AromaticContact CE1-CD2 3.67Å; H950-Y954 AromaticContact ND1-CD2 3.84Å; H950-Y954 WeakPolarHBondContact O-CB 3.31Å; H950-Y954 PolarHBondContact O-N 2.96Å; L951-Y954 CarbonylContact O-C 3.52Å; Y954-G956 PolarHBondContact O-N 3.24Å; Y954-G956 VanDerWaalsContact O-N 3.16Å; Y954-D957 PolarHBondContact O-N 3.01Å; Y954-D957 VanDerWaalsContact O-N 3.16Å | ||
| 955 | P | 82.9 | Confident | 86.4 | Confident | 108 Ų | 108 | 54.1 Ų | 54.1 | 70% | 0.701 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -14 | -176.6 | 27.6 | -35.7 | 0 | 0 | 0 | 114 | L951 I953 | L951-P955 WeakPolarHBondContact O-CA 3.37Å; I953-P955 VanDerWaalsContact C-CD 3.44Å; I953-P955 VanDerWaalsContact O-CD 3.28Å; I953-P955 WeakPolarHBondContact O-CD 3.33Å |
| 956 | G | 82.8 | Confident | 86.3 | Confident | 78 Ų | 78 | 54.2 Ų | 54.2 | 80% | 0.804 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y954 | Y954-G956 PolarHBondContact O-N 3.24Å; Y954-G956 VanDerWaalsContact O-N 3.16Å |
| 957 | D | 85.6 | Confident | 86.2 | Confident | 69 Ų | 69 | 50.6 Ų | 50.6 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -75.1 | 139.5 | 178.7 | -76.6 | 1.8 | 0 | 0 | 0 | 110.7 | H950 Y954 | H950-D957 IonicContact CD2-OD2 3.24Å; H950-D957 IonicContact CE1-OD2 3.17Å; H950-D957 PolarHBondContact CE1-OD2 3.48Å; H950-D957 IonicContact NE2-OD2 2.84Å; H950-D957 PolarHBondContact NE2-OD2 2.84Å; Y954-D957 PolarHBondContact O-N 3.01Å; Y954-D957 VanDerWaalsContact O-N 3.16Å |
| 958 | S | 83.6 | Confident | 85.9 | Confident | 59 Ų | 59 | 53 Ų | 53 | 41% | 0.413 | 29% | 0.293 | S | S | . | . | trans | -67.2 | 145.9 | 177.4 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | S960 S961 A962 | S958-S960 PolarHBondContact O-N 2.96Å; S958-S960 PolarHBondContact OG-OG 3.49Å; S958-S960 VanDerWaalsContact OG-OG 3.05Å; S958-S961 WeakPolarHBondContact O-CA 3.23Å; S958-S961 WeakPolarHBondContact O-CB 3.39Å; S958-S961 PolarHBondContact O-N 2.63Å; S958-S961 VanDerWaalsContact OG-CB 3.26Å; S958-S961 WeakPolarHBondContact OG-CB 3.18Å; S958-S961 PolarHBondContact OG-N 2.92Å; S958-A962 PolarHBondContact O-N 3.39Å | ||
| 959 | L | 84.1 | Confident | 85.3 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55.8 | -37.6 | 174.1 | -178.1 | 62.3 | 0 | 0 | 0 | 111.5 | V915 L919 L951 S961 A962 V963 I989 | V915-L959 HydrophobicContact CG1-CD1 3.61Å; V915-L959 HydrophobicContact CG1-CD2 4.02Å; V915-L959 HydrophobicContact CG1-CG 4.39Å; L919-L959 HydrophobicContact CD1-CD1 4.03Å; L919-L959 HydrophobicContact CD2-CD1 3.98Å; L919-L959 HydrophobicContact CG-CD1 4.14Å; L951-L959 HydrophobicContact CD1-CD1 3.72Å; L959-S961 VanDerWaalsContact C-N 3.31Å; L959-S961 PolarHBondContact O-N 3.09Å; L959-A962 PolarHBondContact O-N 3.12Å; L959-V963 HydrophobicContact CD1-CG2 4.13Å; L959-V963 HydrophobicContact CG-CG2 4.39Å; L959-V963 VanDerWaalsContact O-CB 3.3Å; L959-V963 WeakPolarHBondContact O-CB 3.25Å; L959-V963 WeakPolarHBondContact O-CG2 3.14Å; L959-V963 PolarHBondContact O-N 3.45Å; L959-V963 VanDerWaalsContact O-N 3.1Å; L959-I989 HydrophobicContact CD2-CB 4.41Å; L959-I989 HydrophobicContact CD2-CG1 4.2Å; L959-I989 HydrophobicContact CD2-CG2 4.13Å; L959-I989 HydrophobicContact CG-CG2 4.11Å |
| 960 | S | 80.8 | Confident | 84.9 | Confident | 36 Ų | 36 | 57.8 Ų | 57.8 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.1 | -34.7 | 176.3 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | S958 R964 | S958-S960 PolarHBondContact O-N 2.96Å; S958-S960 PolarHBondContact OG-OG 3.49Å; S958-S960 VanDerWaalsContact OG-OG 3.05Å; S960-R964 WeakPolarHBondContact O-CG 3.46Å |
| 961 | S | 82.2 | Confident | 84 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 30% | 0.301 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.1 | -50 | 173.7 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | S958 L959 V963 R964 | S958-S961 WeakPolarHBondContact O-CA 3.23Å; S958-S961 WeakPolarHBondContact O-CB 3.39Å; S958-S961 PolarHBondContact O-N 2.63Å; S958-S961 VanDerWaalsContact OG-CB 3.26Å; S958-S961 WeakPolarHBondContact OG-CB 3.18Å; S958-S961 PolarHBondContact OG-N 2.92Å; L959-S961 VanDerWaalsContact C-N 3.31Å; L959-S961 PolarHBondContact O-N 3.09Å; S961-V963 PolarHBondContact O-N 3.45Å; S961-R964 WeakPolarHBondContact O-CB 3.07Å; S961-R964 PolarHBondContact O-N 3.36Å |
| 962 | A | 84.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.5 | -34.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I947 L951 S958 L959 R964 N965 | I947-A962 HydrophobicContact CG2-CB 4.14Å; L951-A962 HydrophobicContact CD2-CB 3.72Å; L951-A962 HydrophobicContact CG-CB 4.01Å; S958-A962 PolarHBondContact O-N 3.39Å; L959-A962 PolarHBondContact O-N 3.12Å; A962-R964 VanDerWaalsContact C-N 3.3Å; A962-R964 PolarHBondContact O-N 2.93Å; A962-N965 WeakPolarHBondContact O-CB 3.2Å; A962-N965 PolarHBondContact O-N 3.1Å; A962-N965 PolarHBondContact O-ND2 3.35Å |
| 963 | V | 85.9 | Confident | 82.5 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 4% | 0.036 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.4 | -22.1 | 178.9 | 167.8 | 0 | 0 | 0 | 0 | 112.6 | L919 I947 L959 S961 N965 V966 F967 L984 I989 | L919-V963 HydrophobicContact CD2-CG2 3.86Å; I947-V963 HydrophobicContact CD1-CG2 4.31Å; I947-V963 HydrophobicContact CG2-CG2 4.26Å; L959-V963 HydrophobicContact CD1-CG2 4.13Å; L959-V963 HydrophobicContact CG-CG2 4.39Å; L959-V963 VanDerWaalsContact O-CB 3.3Å; L959-V963 WeakPolarHBondContact O-CB 3.25Å; L959-V963 WeakPolarHBondContact O-CG2 3.14Å; L959-V963 PolarHBondContact O-N 3.45Å; L959-V963 VanDerWaalsContact O-N 3.1Å; S961-V963 PolarHBondContact O-N 3.45Å; V963-N965 PolarHBondContact O-N 3.28Å; V963-V966 PolarHBondContact O-N 3.34Å; V963-F967 HydrophobicContact CG1-CD2 3.25Å; V963-F967 HydrophobicContact CG1-CE2 3.29Å; V963-F967 WeakPolarHBondContact O-CD2 3.43Å; V963-F967 PolarHBondContact O-N 3.21Å; V963-L984 HydrophobicContact CG1-CD1 4.13Å; V963-L984 HydrophobicContact CG1-CD2 4.34Å; V963-I989 HydrophobicContact CG1-CG2 4.41Å; V963-I989 HydrophobicContact CG2-CG2 4.03Å |
| 964 | R | 81.9 | Confident | 81.6 | Confident | 76 Ų | 76 | 69.1 Ų | 69.1 | 29% | 0.287 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.9 | -33.4 | 173.8 | -74.8 | 175.9 | 170.5 | 177.7 | -2.5 | 112.9 | S960 S961 A962 V966 F967 D968 W1020 | S960-R964 WeakPolarHBondContact O-CG 3.46Å; S961-R964 WeakPolarHBondContact O-CB 3.07Å; S961-R964 PolarHBondContact O-N 3.36Å; A962-R964 VanDerWaalsContact C-N 3.3Å; A962-R964 PolarHBondContact O-N 2.93Å; R964-V966 PolarHBondContact O-N 2.97Å; R964-F967 PolarHBondContact O-N 3.24Å; R964-D968 VanDerWaalsContact O-CB 3.32Å; R964-D968 WeakPolarHBondContact O-CB 3.44Å; R964-D968 PolarHBondContact O-N 2.89Å; R964-W1020 HydrophobicContact CG-CH2 3.56Å; R964-W1020 HydrophobicContact CG-CZ2 3.24Å |
| 965 | N | 81.6 | Confident | 80.8 | Confident | 95 Ų | 95 | 69.2 Ų | 69.2 | 51% | 0.508 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.2 | -21.1 | -178.5 | -64.2 | -15 | 0 | 0 | 0 | 113.4 | A962 V963 | A962-N965 WeakPolarHBondContact O-CB 3.2Å; A962-N965 PolarHBondContact O-N 3.1Å; A962-N965 PolarHBondContact O-ND2 3.35Å; V963-N965 PolarHBondContact O-N 3.28Å |
| 966 | V | 85.3 | Confident | 80.4 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -106.7 | -48.4 | 178.9 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | Y939 E943 I947 V963 R964 D968 | Y939-V966 HydrophobicContact CD1-CG1 4Å; Y939-V966 HydrophobicContact CE1-CG1 4.3Å; E943-V966 HydrophobicContact CB-CG1 3.99Å; E943-V966 HydrophobicContact CB-CG2 3.87Å; E943-V966 HydrophobicContact CG-CG1 4.1Å; E943-V966 HydrophobicContact CG-CG2 4.32Å; I947-V966 HydrophobicContact CD1-CB 4.44Å; I947-V966 HydrophobicContact CD1-CG2 3.77Å; I947-V966 HydrophobicContact CG1-CG2 3.92Å; V963-V966 PolarHBondContact O-N 3.34Å; R964-V966 PolarHBondContact O-N 2.97Å; V966-D968 PolarHBondContact O-N 3.21Å |
| 967 | F | 87.1 | Confident | 80.3 | Confident | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -84.7 | -7.8 | -171.4 | -59.7 | -60.1 | 0 | 0 | 0 | 115.1 | F923 L926 Y939 V963 R964 F969 D970 I980 L984 | F923-F967 HydrophobicContact CE2-CZ 4.18Å; F923-F967 HydrophobicContact CZ-CZ 4.15Å; L926-F967 HydrophobicContact CD1-CE1 3.67Å; L926-F967 HydrophobicContact CD1-CZ 3.53Å; Y939-F967 HydrophobicContact CD1-CD1 4.27Å; Y939-F967 AromaticContact CD1-CE1 3.73Å; Y939-F967 HydrophobicContact CD1-CE1 3.73Å; Y939-F967 HydrophobicContact CD2-CE1 4.44Å; Y939-F967 AromaticContact CE1-CD1 3.54Å; Y939-F967 HydrophobicContact CE1-CD1 3.54Å; Y939-F967 AromaticContact CE1-CE1 3.39Å; Y939-F967 HydrophobicContact CE1-CE1 3.39Å; Y939-F967 HydrophobicContact CE2-CE1 4.13Å; Y939-F967 HydrophobicContact CG-CE1 4.24Å; Y939-F967 AromaticContact CZ-CD1 3.79Å; Y939-F967 AromaticContact CZ-CE1 3.61Å; V963-F967 HydrophobicContact CG1-CD2 3.25Å; V963-F967 HydrophobicContact CG1-CE2 3.29Å; V963-F967 WeakPolarHBondContact O-CD2 3.43Å; V963-F967 PolarHBondContact O-N 3.21Å; R964-F967 PolarHBondContact O-N 3.24Å; F967-F969 PolarHBondContact O-N 3.42Å; F967-D970 PolarHBondContact O-N 2.87Å; F967-D970 VanDerWaalsContact O-N 3.09Å; F967-I980 HydrophobicContact CB-CG2 4.3Å; F967-I980 HydrophobicContact CD1-CD1 4.13Å; F967-I980 HydrophobicContact CD1-CG1 4.37Å; F967-I980 HydrophobicContact CD1-CG2 3.6Å; F967-I980 HydrophobicContact CD2-CG2 4.12Å; F967-I980 HydrophobicContact CE1-CG2 3.87Å; F967-I980 HydrophobicContact CE2-CG2 4.36Å; F967-I980 HydrophobicContact CG-CG2 3.75Å; F967-I980 HydrophobicContact CZ-CG2 4.26Å; F967-L984 HydrophobicContact CD2-CD1 3.91Å; F967-L984 HydrophobicContact CE2-CD1 3.95Å; F967-L984 HydrophobicContact CE2-CD2 3.82Å; F967-L984 HydrophobicContact CE2-CG 4.37Å; F967-L984 HydrophobicContact CZ-CD2 4.33Å |
| 968 | D | 82.1 | Confident | 80 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -67.6 | -21 | 175.3 | -88 | -18.7 | 0 | 0 | 0 | 112.9 | R964 V966 D970 R971 W1020 | R964-D968 VanDerWaalsContact O-CB 3.32Å; R964-D968 WeakPolarHBondContact O-CB 3.44Å; R964-D968 PolarHBondContact O-N 2.89Å; V966-D968 PolarHBondContact O-N 3.21Å; D968-D970 PolarHBondContact O-N 3.17Å; D968-R971 VanDerWaalsContact CG-NH2 3.3Å; D968-R971 VanDerWaalsContact O-CB 3.23Å; D968-R971 WeakPolarHBondContact O-CB 3.42Å; D968-R971 PolarHBondContact O-N 3.33Å; D968-R971 IonicContact OD1-CZ 2.74Å; D968-R971 IonicContact OD1-NE 3.46Å; D968-R971 PolarHBondContact OD1-NE 3.4Å; D968-R971 IonicContact OD1-NH2 3.59Å; D968-R971 PolarHBondContact OD1-NH2 3.23Å; D968-R971 IonicContact OD2-NH2 3.95Å; D968-R971 PolarHBondContact OD2-NH2 3.02Å; D968-W1020 WeakPolarHBondContact OD1-CH2 3.36Å |
| 969 | F | 78.9 | Confident | 79.8 | Confident | 174 Ų | 174 | 64.5 Ų | 64.5 | 76% | 0.763 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -61.9 | -30.6 | 169.8 | -73 | -75.9 | 0 | 0 | 0 | 112.3 | F967 R971 | F967-F969 PolarHBondContact O-N 3.42Å; F969-R971 VanDerWaalsContact C-N 3.31Å; F969-R971 PolarHBondContact O-N 3.33Å |
| 970 | D | 80.5 | Confident | 79.9 | Confident | 22 Ų | 22 | 63.1 Ų | 63.1 | 12% | 0.118 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -87 | 2 | -179.1 | -59.7 | -68.3 | 0 | 0 | 0 | 113.2 | Y939 F967 D968 F972 S973 I980 | Y939-D970 PolarHBondContact OH-OD1 2.91Å; Y939-D970 PolarHBondContact OH-OD2 2.93Å; F967-D970 PolarHBondContact O-N 2.87Å; F967-D970 VanDerWaalsContact O-N 3.09Å; D968-D970 PolarHBondContact O-N 3.17Å; D970-F972 PolarHBondContact O-N 3.17Å; D970-F972 VanDerWaalsContact O-N 3.13Å; D970-S973 PolarHBondContact O-N 3.36Å; D970-I980 HydrophobicContact CB-CD1 3.69Å |
| 971 | R | 72.9 | Confident | 80 | Confident | 128 Ų | 128 | 64.6 Ų | 64.6 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -58.4 | -30.9 | -176.5 | -172.4 | -179.8 | -71.3 | -163.5 | 1.6 | 112.6 | D968 F969 S973 | D968-R971 VanDerWaalsContact CG-NH2 3.3Å; D968-R971 VanDerWaalsContact O-CB 3.23Å; D968-R971 WeakPolarHBondContact O-CB 3.42Å; D968-R971 PolarHBondContact O-N 3.33Å; D968-R971 IonicContact OD1-CZ 2.74Å; D968-R971 IonicContact OD1-NE 3.46Å; D968-R971 PolarHBondContact OD1-NE 3.4Å; D968-R971 IonicContact OD1-NH2 3.59Å; D968-R971 PolarHBondContact OD1-NH2 3.23Å; D968-R971 IonicContact OD2-NH2 3.95Å; D968-R971 PolarHBondContact OD2-NH2 3.02Å; F969-R971 VanDerWaalsContact C-N 3.31Å; F969-R971 PolarHBondContact O-N 3.33Å; R971-S973 VanDerWaalsContact C-N 3.31Å |
| 972 | F | 73.2 | Confident | 80 | Confident | 188 Ų | 188 | 70.5 Ų | 70.5 | 83% | 0.825 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -84.8 | -3.4 | 179.3 | -54 | -75.2 | 0 | 0 | 0 | 113.5 | D970 P974 | D970-F972 PolarHBondContact O-N 3.17Å; D970-F972 VanDerWaalsContact O-N 3.13Å; F972-P974 VanDerWaalsContact O-CD 3.3Å; F972-P974 WeakPolarHBondContact O-CD 3.27Å |
| 973 | S | 75.3 | Confident | 80.1 | Confident | 46 Ų | 46 | 70.7 Ų | 70.7 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | trans | -108.7 | 90.2 | 173.1 | -179.2 | 0 | 0 | 0 | 0 | 110 | D970 R971 Q975 A976 L977 | D970-S973 PolarHBondContact O-N 3.36Å; R971-S973 VanDerWaalsContact C-N 3.31Å; S973-Q975 PolarHBondContact O-N 2.62Å; S973-A976 PolarHBondContact O-N 3.25Å; S973-A976 VanDerWaalsContact OG-CB 3.26Å; S973-A976 WeakPolarHBondContact OG-CB 3.46Å; S973-A976 PolarHBondContact OG-N 3.02Å; S973-L977 WeakPolarHBondContact O-CB 3.21Å; S973-L977 PolarHBondContact O-N 3.43Å | ||
| 974 | P | 72.5 | Confident | 80.2 | Confident | 90 Ų | 90 | 70.8 Ų | 70.8 | 58% | 0.584 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.1 | -30.8 | -174.8 | 21.1 | -31.3 | 0 | 0 | 0 | 112.8 | F972 Q978 | F972-P974 VanDerWaalsContact O-CD 3.3Å; F972-P974 WeakPolarHBondContact O-CD 3.27Å; P974-Q978 WeakPolarHBondContact O-CG 3.48Å; P974-Q978 PolarHBondContact O-N 3.21Å; P974-Q978 VanDerWaalsContact O-N 3.1Å |
| 975 | Q | 73 | Confident | 80.3 | Confident | 133 Ų | 133 | 69.6 Ų | 69.6 | 62% | 0.621 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -71.1 | -47.1 | 177.1 | -62.3 | -173.1 | 10.8 | 0 | 0 | 112 | S973 L977 Q978 L979 | S973-Q975 PolarHBondContact O-N 2.62Å; Q975-L977 VanDerWaalsContact C-N 3.35Å; Q975-Q978 PolarHBondContact O-N 2.97Å; Q975-L979 PolarHBondContact O-N 3.38Å |
| 976 | A | 75.1 | Confident | 80.5 | Confident | 14 Ų | 14 | 71.6 Ų | 71.6 | 12% | 0.116 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L935 S973 Q978 L979 I980 | L935-A976 HydrophobicContact CD2-CB 3.99Å; S973-A976 PolarHBondContact O-N 3.25Å; S973-A976 VanDerWaalsContact OG-CB 3.26Å; S973-A976 WeakPolarHBondContact OG-CB 3.46Å; S973-A976 PolarHBondContact OG-N 3.02Å; A976-Q978 VanDerWaalsContact C-N 3.29Å; A976-Q978 PolarHBondContact O-N 2.55Å; A976-L979 PolarHBondContact O-N 2.88Å; A976-I980 HydrophobicContact CB-CD1 4.29Å; A976-I980 WeakPolarHBondContact O-CD1 3.47Å; A976-I980 WeakPolarHBondContact O-CG1 3.46Å; A976-I980 PolarHBondContact O-N 3.06Å |
| 977 | L | 79.6 | Confident | 80.6 | Confident | 30 Ų | 30 | 73.1 Ų | 73.1 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.8 | -38.2 | 178.8 | -166.9 | 70.6 | 0 | 0 | 0 | 112.6 | S973 Q975 K981 | S973-L977 WeakPolarHBondContact O-CB 3.21Å; S973-L977 PolarHBondContact O-N 3.43Å; Q975-L977 VanDerWaalsContact C-N 3.35Å; L977-K981 HydrophobicContact CG-CD 4.38Å; L977-K981 VanDerWaalsContact O-CB 3.28Å; L977-K981 WeakPolarHBondContact O-CB 3.23Å; L977-K981 VanDerWaalsContact O-CG 3.24Å; L977-K981 WeakPolarHBondContact O-CG 3.32Å; L977-K981 PolarHBondContact O-N 3.11Å |
| 978 | Q | 79.7 | Confident | 80.2 | Confident | 119 Ų | 119 | 74.6 Ų | 74.6 | 56% | 0.556 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.9 | -42.7 | 174.5 | -81.5 | -173.8 | 6.4 | 0 | 0 | 112.6 | P974 Q975 A976 R982 | P974-Q978 WeakPolarHBondContact O-CG 3.48Å; P974-Q978 PolarHBondContact O-N 3.21Å; P974-Q978 VanDerWaalsContact O-N 3.1Å; Q975-Q978 PolarHBondContact O-N 2.97Å; A976-Q978 VanDerWaalsContact C-N 3.29Å; A976-Q978 PolarHBondContact O-N 2.55Å; Q978-R982 WeakPolarHBondContact O-CG 3.11Å; Q978-R982 PolarHBondContact O-N 3.42Å |
| 979 | L | 80.9 | Confident | 80.3 | Confident | 52 Ų | 52 | 72.6 Ų | 72.6 | 27% | 0.272 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.7 | -46.6 | 176.9 | -79.4 | 162.9 | 0 | 0 | 0 | 111.2 | S934 L935 Q975 A976 K981 R982 V983 | S934-L979 WeakPolarHBondContact O-CD1 3.47Å; L935-L979 HydrophobicContact CD2-CB 4.07Å; L935-L979 HydrophobicContact CD2-CD1 4.08Å; L935-L979 HydrophobicContact CG-CD1 4.43Å; Q975-L979 PolarHBondContact O-N 3.38Å; A976-L979 PolarHBondContact O-N 2.88Å; L979-K981 PolarHBondContact O-N 3.2Å; L979-R982 WeakPolarHBondContact O-CB 3.38Å; L979-R982 PolarHBondContact O-N 3.46Å; L979-V983 WeakPolarHBondContact O-CG2 3.41Å; L979-V983 PolarHBondContact O-N 3.41Å |
| 980 | I | 85.2 | Confident | 80.2 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.4 | -50.6 | 176.2 | -63.6 | 158.1 | 0 | 0 | 0 | 109.7 | L926 Y939 F967 D970 A976 R982 V983 L984 | L926-I980 HydrophobicContact CD2-CG1 4.31Å; Y939-I980 WeakPolarHBondContact OH-CD1 3.44Å; F967-I980 HydrophobicContact CB-CG2 4.3Å; F967-I980 HydrophobicContact CD1-CD1 4.13Å; F967-I980 HydrophobicContact CD1-CG1 4.37Å; F967-I980 HydrophobicContact CD1-CG2 3.6Å; F967-I980 HydrophobicContact CD2-CG2 4.12Å; F967-I980 HydrophobicContact CE1-CG2 3.87Å; F967-I980 HydrophobicContact CE2-CG2 4.36Å; F967-I980 HydrophobicContact CG-CG2 3.75Å; F967-I980 HydrophobicContact CZ-CG2 4.26Å; D970-I980 HydrophobicContact CB-CD1 3.69Å; A976-I980 HydrophobicContact CB-CD1 4.29Å; A976-I980 WeakPolarHBondContact O-CD1 3.47Å; A976-I980 WeakPolarHBondContact O-CG1 3.46Å; A976-I980 PolarHBondContact O-N 3.06Å; I980-R982 VanDerWaalsContact C-N 3.32Å; I980-R982 PolarHBondContact O-N 2.81Å; I980-V983 PolarHBondContact O-N 3.37Å; I980-V983 VanDerWaalsContact O-N 3.11Å; I980-L984 HydrophobicContact CG2-CD1 3.75Å; I980-L984 HydrophobicContact CG2-CG 4.09Å; I980-L984 VanDerWaalsContact O-CG 3.32Å; I980-L984 WeakPolarHBondContact O-CG 3.03Å; I980-L984 PolarHBondContact O-N 2.8Å |
| 981 | K | 82 | Confident | 79.7 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 29% | 0.291 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.8 | -44.4 | 177 | -80.2 | 177.7 | 178.3 | -179.6 | 0 | 112.1 | L977 L979 V983 L984 V985 | L977-K981 HydrophobicContact CG-CD 4.38Å; L977-K981 VanDerWaalsContact O-CB 3.28Å; L977-K981 WeakPolarHBondContact O-CB 3.23Å; L977-K981 VanDerWaalsContact O-CG 3.24Å; L977-K981 WeakPolarHBondContact O-CG 3.32Å; L977-K981 PolarHBondContact O-N 3.11Å; L979-K981 PolarHBondContact O-N 3.2Å; K981-V983 VanDerWaalsContact C-N 3.34Å; K981-V983 PolarHBondContact O-N 3.23Å; K981-L984 PolarHBondContact O-N 3.31Å; K981-V985 WeakPolarHBondContact O-CB 3.41Å; K981-V985 VanDerWaalsContact O-CG2 3.27Å; K981-V985 WeakPolarHBondContact O-CG2 3.32Å; K981-V985 PolarHBondContact O-N 3.17Å |
| 982 | R | 83.7 | Confident | 78.9 | Confident | 167 Ų | 167 | 69.2 Ų | 69.2 | 63% | 0.63 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | 177.2 | -75.4 | 174.9 | -173.7 | -169.1 | 1.6 | 111.8 | Q978 L979 I980 K986 | Q978-R982 WeakPolarHBondContact O-CG 3.11Å; Q978-R982 PolarHBondContact O-N 3.42Å; L979-R982 WeakPolarHBondContact O-CB 3.38Å; L979-R982 PolarHBondContact O-N 3.46Å; I980-R982 VanDerWaalsContact C-N 3.32Å; I980-R982 PolarHBondContact O-N 2.81Å; R982-K986 WeakPolarHBondContact O-CB 3.23Å; R982-K986 PolarHBondContact O-N 2.81Å |
| 983 | V | 86 | Confident | 77.9 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.03 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.9 | -45 | 178.5 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | A922 E925 L926 L929 L979 I980 K981 V985 K986 H987 | A922-V983 HydrophobicContact CB-CG1 4.26Å; E925-V983 HydrophobicContact CB-CG1 4.08Å; E925-V983 HydrophobicContact CG-CG1 4.15Å; E925-V983 HydrophobicContact CG-CG2 4.14Å; L926-V983 HydrophobicContact CD2-CB 4.02Å; L926-V983 HydrophobicContact CD2-CG1 4.13Å; L926-V983 HydrophobicContact CD2-CG2 4Å; L926-V983 HydrophobicContact CG-CB 4.49Å; L926-V983 HydrophobicContact CG-CG1 4.05Å; L929-V983 HydrophobicContact CD1-CG2 3.71Å; L979-V983 WeakPolarHBondContact O-CG2 3.41Å; L979-V983 PolarHBondContact O-N 3.41Å; I980-V983 PolarHBondContact O-N 3.37Å; I980-V983 VanDerWaalsContact O-N 3.11Å; K981-V983 VanDerWaalsContact C-N 3.34Å; K981-V983 PolarHBondContact O-N 3.23Å; V983-V985 PolarHBondContact O-N 3.13Å; V983-K986 PolarHBondContact O-N 3.46Å; V983-H987 PolarHBondContact O-CD2 3.33Å; V983-H987 VanDerWaalsContact O-CD2 3.23Å; V983-H987 PolarHBondContact O-N 3.38Å |
| 984 | L | 87.2 | Confident | 76.4 | Confident | 7 Ų | 7 | 73.1 Ų | 73.1 | 4% | 0.037 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 179.5 | -66 | -179.3 | 0 | 0 | 0 | 113 | V963 F967 I980 K981 G988 I989 L990 | V963-L984 HydrophobicContact CG1-CD1 4.13Å; V963-L984 HydrophobicContact CG1-CD2 4.34Å; F967-L984 HydrophobicContact CD2-CD1 3.91Å; F967-L984 HydrophobicContact CE2-CD1 3.95Å; F967-L984 HydrophobicContact CE2-CD2 3.82Å; F967-L984 HydrophobicContact CE2-CG 4.37Å; F967-L984 HydrophobicContact CZ-CD2 4.33Å; I980-L984 HydrophobicContact CG2-CD1 3.75Å; I980-L984 HydrophobicContact CG2-CG 4.09Å; I980-L984 VanDerWaalsContact O-CG 3.32Å; I980-L984 WeakPolarHBondContact O-CG 3.03Å; I980-L984 PolarHBondContact O-N 2.8Å; K981-L984 PolarHBondContact O-N 3.31Å; L984-G988 PolarHBondContact O-N 2.85Å; L984-I989 HydrophobicContact CB-CB 4.32Å; L984-I989 HydrophobicContact CD2-CB 4.21Å; L984-I989 HydrophobicContact CD2-CD1 3.67Å; L984-I989 HydrophobicContact CD2-CG2 4.09Å; L984-I989 WeakPolarHBondContact O-CB 3.28Å; L984-I989 PolarHBondContact O-N 3.19Å; L984-L990 HydrophobicContact CB-CB 4.41Å; L984-L990 HydrophobicContact CB-CD1 3.85Å; L984-L990 HydrophobicContact CB-CG 4.12Å; L984-L990 HydrophobicContact CD1-CD1 3.72Å; L984-L990 HydrophobicContact CD1-CG 4.35Å; L984-L990 HydrophobicContact CG-CD1 4.46Å; L984-L990 PolarHBondContact O-N 3.49Å |
| 985 | V | 84.5 | Confident | 74.7 | Confident | 52 Ų | 52 | 73.7 Ų | 73.7 | 32% | 0.315 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.2 | -43.9 | 174.5 | 172 | 0 | 0 | 0 | 0 | 110.6 | K981 V983 H987 G988 L990 A992 | K981-V985 WeakPolarHBondContact O-CB 3.41Å; K981-V985 VanDerWaalsContact O-CG2 3.27Å; K981-V985 WeakPolarHBondContact O-CG2 3.32Å; K981-V985 PolarHBondContact O-N 3.17Å; V983-V985 PolarHBondContact O-N 3.13Å; V985-H987 VanDerWaalsContact C-N 3.28Å; V985-H987 PolarHBondContact O-N 2.87Å; V985-G988 PolarHBondContact O-N 3.1Å; V985-L990 HydrophobicContact CG2-CB 4.03Å; V985-A992 HydrophobicContact CG1-CB 3.98Å |
| 986 | K | 86 | Confident | 72.9 | Confident | 137 Ų | 137 | 77.9 Ų | 77.9 | 60% | 0.596 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -57.9 | -38.8 | 178.7 | -178.8 | -171.6 | 177.4 | -160.6 | 0 | 112.6 | E925 R982 V983 G988 | E925-K986 IonicContact OE1-NZ 3.73Å; E925-K986 PolarHBondContact OE1-NZ 3.26Å; E925-K986 IonicContact OE2-NZ 3.59Å; E925-K986 PolarHBondContact OE2-NZ 3.18Å; R982-K986 WeakPolarHBondContact O-CB 3.23Å; R982-K986 PolarHBondContact O-N 2.81Å; V983-K986 PolarHBondContact O-N 3.46Å; K986-G988 VanDerWaalsContact C-N 3.35Å |
| 987 | H | 86.5 | Confident | 70.7 | Confident | 44 Ų | 44 | 82.4 Ų | 82.4 | 20% | 0.204 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 6.6 | 177.7 | -67.8 | -70.4 | 0 | 0 | 0 | 113.8 | K918 A922 E925 V983 V985 I989 | K918-H987 WeakPolarHBondContact CG-O 3.08Å; A922-H987 HydrophobicContact CB-CB 4.11Å; E925-H987 IonicContact OE2-CD2 2.7Å; E925-H987 IonicContact OE2-CE1 3.37Å; E925-H987 IonicContact OE2-NE2 3.47Å; E925-H987 PolarHBondContact OE2-NE2 3.37Å; V983-H987 PolarHBondContact O-CD2 3.33Å; V983-H987 VanDerWaalsContact O-CD2 3.23Å; V983-H987 PolarHBondContact O-N 3.38Å; V985-H987 VanDerWaalsContact C-N 3.28Å; V985-H987 PolarHBondContact O-N 2.87Å; H987-I989 HydrophobicContact CB-CD1 4.5Å; H987-I989 PolarHBondContact O-N 3.03Å |
| 988 | G | 80.3 | Confident | 68.3 | Low | 36 Ų | 36 | 87.4 Ų | 87.4 | 37% | 0.371 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 36.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K918 L984 V985 K986 | K918-G988 PolarHBondContact NZ-O 2.98Å; L984-G988 PolarHBondContact O-N 2.85Å; V985-G988 PolarHBondContact O-N 3.1Å; K986-G988 VanDerWaalsContact C-N 3.35Å |
| 989 | I | 82.7 | Confident | 65.7 | Low | 12 Ų | 12 | 88.1 Ų | 88.1 | 6% | 0.062 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -90.7 | -38.1 | 171.8 | -65.2 | 169.4 | 0 | 0 | 0 | 110.4 | K918 L919 A922 L959 V963 L984 H987 | K918-I989 HydrophobicContact CB-CG1 4.23Å; L919-I989 HydrophobicContact CD2-CD1 4.11Å; A922-I989 HydrophobicContact CB-CD1 3.55Å; L959-I989 HydrophobicContact CD2-CB 4.41Å; L959-I989 HydrophobicContact CD2-CG1 4.2Å; L959-I989 HydrophobicContact CD2-CG2 4.13Å; L959-I989 HydrophobicContact CG-CG2 4.11Å; V963-I989 HydrophobicContact CG1-CG2 4.41Å; V963-I989 HydrophobicContact CG2-CG2 4.03Å; L984-I989 HydrophobicContact CB-CB 4.32Å; L984-I989 HydrophobicContact CD2-CB 4.21Å; L984-I989 HydrophobicContact CD2-CD1 3.67Å; L984-I989 HydrophobicContact CD2-CG2 4.09Å; L984-I989 WeakPolarHBondContact O-CB 3.28Å; L984-I989 PolarHBondContact O-N 3.19Å; H987-I989 HydrophobicContact CB-CD1 4.5Å; H987-I989 PolarHBondContact O-N 3.03Å |
| 990 | L | 78 | Confident | 63.1 | Low | 33 Ų | 33 | 91.2 Ų | 91.2 | 17% | 0.173 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -112.7 | 142.1 | 171.3 | -72.8 | 172 | 0 | 0 | 0 | 109.5 | L984 V985 | L984-L990 HydrophobicContact CB-CB 4.41Å; L984-L990 HydrophobicContact CB-CD1 3.85Å; L984-L990 HydrophobicContact CB-CG 4.12Å; L984-L990 HydrophobicContact CD1-CD1 3.72Å; L984-L990 HydrophobicContact CD1-CG 4.35Å; L984-L990 HydrophobicContact CG-CD1 4.46Å; L984-L990 PolarHBondContact O-N 3.49Å; V985-L990 HydrophobicContact CG2-CB 4.03Å |
| 991 | D | 69.6 | Low | 60.3 | Low | 157 Ų | 157 | 97 Ų | 97 | 84% | 0.84 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 138 | 173.1 | -70.6 | -34.5 | 0 | 0 | 0 | 110.7 | ||
| 992 | A | 56.1 | Low | 57.6 | Low | 63 Ų | 63 | 101.2 Ų | 101.2 | 52% | 0.521 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 138.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | V985 K994 | V985-A992 HydrophobicContact CG1-CB 3.98Å; A992-K994 PolarHBondContact O-N 3.5Å |
| 993 | P | 53 | Low | 54.8 | Low | 121 Ų | 121 | 99.5 Ų | 99.5 | 79% | 0.786 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -57 | 118 | 176.3 | 21.8 | -30.6 | 0 | 0 | 0 | 109.1 | ||
| 994 | K | 43.1 | Very low | 51.9 | Low | 195 Ų | 195 | 101.7 Ų | 101.7 | 85% | 0.848 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 127.7 | 178.4 | -70.8 | 179.4 | -179.5 | 173.1 | 0 | 108.6 | A992 K996 | A992-K994 PolarHBondContact O-N 3.5Å; K994-K996 PolarHBondContact O-N 3.33Å |
| 995 | P | 37.1 | Very low | 49.2 | Very low | 102 Ų | 102 | 106.9 Ų | 106.9 | 66% | 0.662 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 133.2 | 174.2 | 24 | -30.4 | 0 | 0 | 0 | 108.3 | T997 | P995-T997 HydrophobicContact CB-CG2 4.49Å; P995-T997 HydrophobicContact CG-CG2 4.48Å; P995-T997 PolarHBondContact O-N 3.01Å; P995-T997 PolarHBondContact O-OG1 2.87Å |
| 996 | K | 34.1 | Very low | 46.3 | Very low | 220 Ų | 220 | 111.8 Ų | 111.8 | 96% | 0.957 | 64% | 0.641 | S | S | * | * | trans | -64.5 | 81.3 | 173.1 | -73.8 | -177 | 176 | -179.2 | 0 | 108.7 | K994 | K994-K996 PolarHBondContact O-N 3.33Š| ||
| 997 | T | 29.9 | Very low | 43.3 | Very low | 109 Ų | 109 | 115.6 Ų | 115.6 | 67% | 0.669 | 65% | 0.653 | S | S | * | * | trans | -90 | 119.3 | 173.8 | 42 | 0 | 0 | 0 | 0 | 109.7 | P995 | P995-T997 HydrophobicContact CB-CG2 4.49Å; P995-T997 HydrophobicContact CG-CG2 4.48Å; P995-T997 PolarHBondContact O-N 3.01Å; P995-T997 PolarHBondContact O-OG1 2.87Å | ||
| 998 | D | 29.3 | Very low | 40.5 | Very low | 136 Ų | 136 | 121.3 Ų | 121.3 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | 62.9 | 85.8 | 155.8 | -55.8 | -21 | 0 | 0 | 0 | 117.6 | T1000 | D998-T1000 PolarHBondContact O-N 3.22Š| ||
| 999 | C | 25.6 | Very low | 37.8 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 91% | 0.905 | 71% | 0.709 | S | S | * | * | trans | -59.5 | 82.6 | 153.5 | -63.2 | 0 | 0 | 0 | 0 | 109.1 | V1001 | C999-V1001 PolarHBondContact O-N 2.74Š| ||
| 1000 | T | 25.8 | Very low | 35.3 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | trans | -71.8 | 122.5 | 164.9 | 37.1 | 0 | 0 | 0 | 0 | 108.1 | D998 I1002 | D998-T1000 PolarHBondContact O-N 3.22Å; T1000-I1002 PolarHBondContact O-N 3.19Å | ||
| 1001 | V | 26.1 | Very low | 32.8 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | trans | -57.8 | 98.8 | -178.8 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | C999 T1003 | C999-V1001 PolarHBondContact O-N 2.74Å; V1001-T1003 HydrophobicContact CG1-CG2 3.96Å | ||
| 1002 | I | 25.1 | Very low | 30.7 | Very low | 155 Ų | 155 | 140 Ų | 140 | 80% | 0.795 | 77% | 0.772 | S | S | * | * | trans | -95.6 | 91.4 | 164.7 | -58.6 | 179.5 | 0 | 0 | 0 | 107.1 | T1000 G1004 | T1000-I1002 PolarHBondContact O-N 3.19Å; I1002-G1004 PolarHBondContact O-N 3.36Å | ||
| 1003 | T | 24.7 | Very low | 29.3 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | -70.3 | 105.3 | 161.5 | 35.3 | 0 | 0 | 0 | 0 | 108.9 | V1001 | V1001-T1003 HydrophobicContact CG1-CG2 3.96Š| ||
| 1004 | G | 24.4 | Very low | 28 | Very low | 51 Ų | 51 | 146.2 Ų | 146.2 | 53% | 0.526 | 79% | 0.793 | S | S | . | * | trans | -168.7 | 130.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1002 | I1002-G1004 PolarHBondContact O-N 3.36Š| ||
| 1005 | P | 30.4 | Very low | 27.1 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -76.6 | 130.2 | -164.1 | 30.8 | -32.6 | 0 | 0 | 0 | 111.8 | Y1007 | P1005-Y1007 PolarHBondContact O-N 3.39Š| ||
| 1006 | I | 25 | Very low | 26.7 | Very low | 155 Ų | 155 | 143 Ų | 143 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | trans | -67.8 | 106.1 | -175.7 | -61.2 | 164.8 | 0 | 0 | 0 | 109.6 | ||||
| 1007 | Y | 22.6 | Very low | 26.3 | Very low | 216 Ų | 216 | 140 Ų | 140 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | -84.9 | 109.3 | 160.3 | -85.1 | -87.9 | 0 | 0 | 0 | 109 | P1005 Q1009 | P1005-Y1007 PolarHBondContact O-N 3.39Å; Y1007-Q1009 PolarHBondContact O-N 2.86Å | ||
| 1008 | L | 27.9 | Very low | 26.3 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -65.1 | 105.7 | 167.7 | -74.5 | 156.8 | 0 | 0 | 0 | 109.1 | ||||
| 1009 | Q | 24.2 | Very low | 26.6 | Very low | 190 Ų | 190 | 143.9 Ų | 143.9 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -121 | 124.8 | 162.4 | -98.5 | -173 | -8.3 | 0 | 0 | 111.7 | Y1007 | Y1007-Q1009 PolarHBondContact O-N 2.86Š| ||
| 1010 | K | 29.1 | Very low | 27.1 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | -61.1 | 151.1 | 174.8 | -72.3 | 170.9 | 169.7 | 175.5 | 0 | 111.3 | ||||
| 1011 | H | 26.8 | Very low | 27.3 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | 89.7 | 112.9 | 162 | -56.4 | -54.8 | 0 | 0 | 0 | 117.6 | ||||
| 1012 | G | 24.4 | Very low | 27.5 | Very low | 72 Ų | 72 | 142 Ų | 142 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | 159.7 | 100.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1014 | G1012-A1014 PolarHBondContact O-N 3.49Š| ||
| 1013 | K | 27.7 | Very low | 27.8 | Very low | 217 Ų | 217 | 143 Ų | 143 | 94% | 0.943 | 76% | 0.762 | S | S | * | * | trans | -51.1 | 105.4 | 176.7 | -70.2 | 172.1 | 172.7 | 178.2 | 0 | 110.8 | ||||
| 1014 | A | 25.1 | Very low | 28 | Very low | 96 Ų | 96 | 142.7 Ų | 142.7 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | -96.9 | 120.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | G1012 A1016 | G1012-A1014 PolarHBondContact O-N 3.49Å; A1014-A1016 PolarHBondContact O-N 3.22Å | ||
| 1015 | V | 24.8 | Very low | 28.1 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -58.1 | 124.1 | 178.3 | 176.8 | 0 | 0 | 0 | 0 | 109.1 | E1017 | V1015-E1017 HydrophobicContact CG1-CG 4.36Å; V1015-E1017 PolarHBondContact O-N 3.44Å | ||
| 1016 | A | 27.1 | Very low | 28.3 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -81.4 | 92.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A1014 | A1014-A1016 PolarHBondContact O-N 3.22Š| ||
| 1017 | E | 27.4 | Very low | 28.8 | Very low | 157 Ų | 157 | 146.2 Ų | 146.2 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -105.9 | 140.7 | 167.4 | -76.7 | 179.9 | 166.2 | 0 | 0 | 110.4 | V1015 | V1015-E1017 HydrophobicContact CG1-CG 4.36Å; V1015-E1017 PolarHBondContact O-N 3.44Å | ||
| 1018 | D | 29.3 | Very low | 29.5 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 69.9 | 72.6 | 165.9 | -65.9 | -18.3 | 0 | 0 | 0 | 120.7 | ||||
| 1019 | Y | 34.8 | Very low | 30 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | trans | -132.2 | 103 | 153.9 | -77.2 | -90.1 | 0 | 0 | 0 | 111.4 | ||||
| 1020 | W | 36.2 | Very low | 30.7 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 31% | 0.311 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -82.8 | 8.3 | 167.6 | -97.8 | 104.1 | 0 | 0 | 0 | 113.3 | R964 D968 | R964-W1020 HydrophobicContact CG-CH2 3.56Å; R964-W1020 HydrophobicContact CG-CZ2 3.24Å; D968-W1020 WeakPolarHBondContact OD1-CH2 3.36Å |
| 1021 | L | 30 | Very low | 31.3 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 72% | 0.723 | 71% | 0.706 | S | S | * | * | trans | -151.6 | 85.1 | -175.7 | -80.9 | 161.4 | 0 | 0 | 0 | 110.6 | ||||
| 1022 | T | 30.5 | Very low | 32.1 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | trans | -144.6 | 103.1 | 149.5 | 42.1 | 0 | 0 | 0 | 0 | 108.1 | T1024 | T1022-T1024 PolarHBondContact O-N 2.95Š| ||
| 1023 | E | 30.8 | Very low | 33.1 | Very low | 178 Ų | 178 | 128.2 Ų | 128.2 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | trans | -54.6 | 129.4 | 170.3 | -69.5 | 166.7 | 147.4 | 0 | 0 | 109.6 | ||||
| 1024 | T | 29 | Very low | 33.9 | Very low | 123 Ų | 123 | 127 Ų | 127 | 76% | 0.755 | 67% | 0.671 | S | S | * | * | trans | -118.1 | 130.1 | 151.9 | 36 | 0 | 0 | 0 | 0 | 106 | T1022 | T1022-T1024 PolarHBondContact O-N 2.95Š| ||
| 1025 | D | 28.1 | Very low | 34.9 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 78% | 0.775 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 77.5 | 94.5 | 167.7 | -55.7 | -19.3 | 0 | 0 | 0 | 118.3 | ||
| 1026 | T | 34.5 | Very low | 35.9 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 85% | 0.853 | 65% | 0.649 | S | S | * | * | S | Bend | -179.8 | 20.6 | 103.2 | 47.9 | 0 | 0 | 0 | 0 | 112.7 | |||
| 1027 | T | 34.1 | Very low | 37 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 69% | 0.687 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -112.9 | 94.2 | -174.9 | 43.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1028 | R | 38 | Very low | 38.3 | Very low | 137 Ų | 137 | 120.7 Ų | 120.7 | 52% | 0.517 | 61% | 0.605 | S | S | . | * | trans | 21.7 | 103.4 | 161.7 | -62.4 | -178.4 | -178.1 | 165.6 | 1.7 | 115.2 | L1030 D1102 | R1028-L1030 PolarHBondContact O-N 3.5Å; R1028-D1102 IonicContact NH1-OD1 3.93Å; R1028-D1102 PolarHBondContact NH1-OD1 2.72Å; R1028-D1102 IonicContact NH1-OD2 3.47Å; R1028-D1102 PolarHBondContact NH1-OD2 3.13Å | ||
| 1029 | D | 39.2 | Very low | 39.5 | Very low | 109 Ų | 109 | 117.6 Ų | 117.6 | 58% | 0.583 | 59% | 0.588 | S | S | * | * | trans | -49.6 | 126.7 | -177.2 | -60.7 | -34.3 | 0 | 0 | 0 | 113.1 | F1031 | D1029-F1031 HydrophobicContact CB-CD2 4.07Å; D1029-F1031 HydrophobicContact CB-CE2 3.29Å; D1029-F1031 HydrophobicContact CB-CZ 3.62Å | ||
| 1030 | L | 38 | Very low | 40.5 | Very low | 97 Ų | 97 | 112.8 Ų | 112.8 | 51% | 0.508 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 111.2 | 176.2 | -176.9 | 90.5 | 0 | 0 | 0 | 108.8 | R1028 I1032 V1107 Q1109 | R1028-L1030 PolarHBondContact O-N 3.5Å; L1030-I1032 HydrophobicContact CD2-CD1 4.23Å; L1030-I1032 HydrophobicContact CD2-CG1 4.41Å; L1030-V1107 WeakPolarHBondContact CA-O 3.31Å; L1030-V1107 HydrophobicContact CD1-CB 4.14Å; L1030-V1107 HydrophobicContact CD1-CG1 4.02Å; L1030-Q1109 HydrophobicContact CD1-CB 4.45Å |
| 1031 | F | 42.5 | Very low | 41.5 | Very low | 94 Ų | 94 | 114.1 Ų | 114.1 | 41% | 0.412 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.1 | 177.3 | -59.1 | -85.7 | 0 | 0 | 0 | 110.8 | D1029 Y1108 Q1109 | D1029-F1031 HydrophobicContact CB-CD2 4.07Å; D1029-F1031 HydrophobicContact CB-CE2 3.29Å; D1029-F1031 HydrophobicContact CB-CZ 3.62Å; F1031-Y1108 HydrophobicContact CB-CD1 3.61Å; F1031-Y1108 HydrophobicContact CB-CE1 3.68Å; F1031-Y1108 HydrophobicContact CD2-CD1 4.01Å; F1031-Y1108 AromaticContact CD2-CE1 3.33Å; F1031-Y1108 HydrophobicContact CD2-CE1 3.33Å; F1031-Y1108 AromaticContact CD2-CZ 3.77Å; F1031-Y1108 HydrophobicContact CE2-CE1 4.2Å; F1031-Y1108 HydrophobicContact CG-CD1 4.23Å; F1031-Y1108 AromaticContact CG-CE1 3.79Å; F1031-Y1108 HydrophobicContact CG-CE1 3.79Å; F1031-Q1109 PolarHBondContact O-N 3.21Å |
| 1032 | I | 43.7 | Very low | 42.8 | Very low | 107 Ų | 107 | 108.7 Ų | 108.7 | 55% | 0.549 | 56% | 0.563 | S | S | . | * | trans | -119.4 | 97.9 | 178.1 | -55.1 | 171.9 | 0 | 0 | 0 | 107.7 | L1030 | L1030-I1032 HydrophobicContact CD2-CD1 4.23Å; L1030-I1032 HydrophobicContact CD2-CG1 4.41Å | ||
| 1033 | E | 44.5 | Very low | 44.3 | Very low | 91 Ų | 91 | 106 Ų | 106 | 43% | 0.425 | 55% | 0.548 | S | S | . | . | trans | -104.6 | 146.5 | 177.9 | -73.2 | -170.3 | 147.7 | 0 | 0 | 112.1 | F1035 P1111 | E1033-F1035 HydrophobicContact CB-CD2 3.88Å; E1033-F1035 HydrophobicContact CB-CE2 3.26Å; E1033-F1035 HydrophobicContact CB-CZ 3.9Å; E1033-F1035 HydrophobicContact CG-CE2 4.24Å; E1033-F1035 WeakPolarHBondContact OE2-CE2 3.47Å; E1033-F1035 WeakPolarHBondContact OE2-CZ 3.45Å; E1033-P1111 WeakPolarHBondContact O-CG 3.24Å | ||
| 1034 | K | 43.8 | Very low | 46.2 | Very low | 192 Ų | 192 | 101.2 Ų | 101.2 | 84% | 0.835 | 54% | 0.535 | S | S | * | . | trans | -90.7 | 112.1 | -179.5 | -71.1 | -179.9 | 178.7 | 178.4 | 0 | 109.6 | ||||
| 1035 | F | 47.4 | Very low | 48.1 | Very low | 63 Ų | 63 | 96 Ų | 96 | 28% | 0.276 | 50% | 0.503 | S | S | . | . | trans | -134.8 | 140.8 | 174.1 | -61.5 | -73.5 | 0 | 0 | 0 | 110.9 | E1033 L1084 | E1033-F1035 HydrophobicContact CB-CD2 3.88Å; E1033-F1035 HydrophobicContact CB-CE2 3.26Å; E1033-F1035 HydrophobicContact CB-CZ 3.9Å; E1033-F1035 HydrophobicContact CG-CE2 4.24Å; E1033-F1035 WeakPolarHBondContact OE2-CE2 3.47Å; E1033-F1035 WeakPolarHBondContact OE2-CZ 3.45Å; F1035-L1084 HydrophobicContact CB-CD1 3.86Å; F1035-L1084 HydrophobicContact CD2-CD1 3.59Å; F1035-L1084 HydrophobicContact CE2-CD1 4.32Å; F1035-L1084 HydrophobicContact CG-CD1 3.9Å | ||
| 1036 | D | 45.9 | Very low | 50.2 | Low | 155 Ų | 155 | 93.3 Ų | 93.3 | 83% | 0.829 | 48% | 0.484 | S | S | * | . | trans | -81.3 | 135 | 174 | -75 | -34.5 | 0 | 0 | 0 | 110.7 | ||||
| 1037 | F | 49.3 | Very low | 51.8 | Low | 40 Ų | 40 | 90.3 Ų | 90.3 | 18% | 0.175 | 46% | 0.461 | C | S | . | . | trans | -115.7 | 136.4 | -164.6 | 177.4 | -111.1 | 0 | 0 | 0 | 112.7 | L1039 L1042 Y1087 V1114 | F1037-L1039 HydrophobicContact CD1-CD2 3.97Å; F1037-L1039 HydrophobicContact CD1-CG 4.04Å; F1037-L1039 HydrophobicContact CE1-CD2 3.89Å; F1037-L1039 HydrophobicContact CE1-CG 4.2Å; F1037-L1042 HydrophobicContact CE1-CD1 3.86Å; F1037-L1042 HydrophobicContact CE1-CG 4.28Å; F1037-L1042 HydrophobicContact CZ-CD1 4.26Å; F1037-L1042 HydrophobicContact CZ-CG 4.16Å; F1037-Y1087 HydrophobicContact CD2-CE1 4.04Å; F1037-Y1087 AromaticContact CE2-CD1 3.98Å; F1037-Y1087 HydrophobicContact CE2-CD1 3.98Å; F1037-Y1087 AromaticContact CE2-CE1 3.32Å; F1037-Y1087 HydrophobicContact CE2-CE1 3.32Å; F1037-Y1087 HydrophobicContact CE2-CE2 4.05Å; F1037-Y1087 AromaticContact CE2-CZ 3.34Å; F1037-Y1087 WeakPolarHBondContact CE2-OH 3.42Å; F1037-Y1087 HydrophobicContact CZ-CD1 4.12Å; F1037-Y1087 AromaticContact CZ-CE1 3.91Å; F1037-Y1087 HydrophobicContact CZ-CE1 3.91Å; F1037-V1114 HydrophobicContact CB-CG1 3.99Å; F1037-V1114 HydrophobicContact CD1-CG1 3.98Å; F1037-V1114 HydrophobicContact CG-CG1 4.01Å | ||
| 1038 | D | 54.5 | Low | 53.7 | Low | 91 Ų | 91 | 85.9 Ų | 85.9 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | trans | -91.5 | 101 | 173.7 | -170.1 | -9.9 | 0 | 0 | 0 | 110.7 | S1040 | D1038-S1040 VanDerWaalsContact CG-OG 3.28Å; D1038-S1040 PolarHBondContact O-N 3.3Å; D1038-S1040 VanDerWaalsContact O-N 3.09Å; D1038-S1040 WeakPolarHBondContact OD1-CB 3.29Å; D1038-S1040 PolarHBondContact OD1-N 2.71Å; D1038-S1040 PolarHBondContact OD1-OG 3.04Å; D1038-S1040 PolarHBondContact OD2-OG 2.99Å | ||
| 1039 | L | 55.2 | Low | 55.4 | Low | 67 Ų | 67 | 85.4 Ų | 85.4 | 35% | 0.351 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -59.3 | -18 | -176.6 | -73.4 | 155.9 | 0 | 0 | 0 | 114.3 | F1037 K1041 L1042 Q1117 | F1037-L1039 HydrophobicContact CD1-CD2 3.97Å; F1037-L1039 HydrophobicContact CD1-CG 4.04Å; F1037-L1039 HydrophobicContact CE1-CD2 3.89Å; F1037-L1039 HydrophobicContact CE1-CG 4.2Å; L1039-K1041 PolarHBondContact O-N 3.49Å; L1039-L1042 HydrophobicContact CD2-CD1 4Å; L1039-L1042 PolarHBondContact O-N 3.27Å; L1039-Q1117 HydrophobicContact CD1-CB 4.16Å; L1039-Q1117 HydrophobicContact CD2-CB 3.85Å; L1039-Q1117 WeakPolarHBondContact CD2-O 3.47Å |
| 1040 | S | 56.4 | Low | 56.9 | Low | 94 Ų | 94 | 85.5 Ų | 85.5 | 66% | 0.657 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -65.7 | -16.9 | -174.7 | 63 | 0 | 0 | 0 | 0 | 114.8 | D1038 | D1038-S1040 VanDerWaalsContact CG-OG 3.28Å; D1038-S1040 PolarHBondContact O-N 3.3Å; D1038-S1040 VanDerWaalsContact O-N 3.09Å; D1038-S1040 WeakPolarHBondContact OD1-CB 3.29Å; D1038-S1040 PolarHBondContact OD1-N 2.71Å; D1038-S1040 PolarHBondContact OD1-OG 3.04Å; D1038-S1040 PolarHBondContact OD2-OG 2.99Å |
| 1041 | K | 55.4 | Low | 58.4 | Low | 109 Ų | 109 | 82 Ų | 82 | 47% | 0.474 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -91.4 | -2.5 | -176.2 | -67.5 | -176.8 | -179.6 | 174.5 | 0 | 115.4 | L1039 S1043 | L1039-K1041 PolarHBondContact O-N 3.49Å; K1041-S1043 PolarHBondContact O-N 2.88Å; K1041-S1043 VanDerWaalsContact O-N 3.11Å |
| 1042 | L | 59.3 | Low | 59.7 | Low | 25 Ų | 25 | 83.7 Ų | 83.7 | 13% | 0.131 | 45% | 0.447 | C | S | . | . | trans | -71.4 | 102.6 | -178.6 | -86.4 | 160.2 | 0 | 0 | 0 | 111.6 | F1037 L1039 V1095 I1122 | F1037-L1042 HydrophobicContact CE1-CD1 3.86Å; F1037-L1042 HydrophobicContact CE1-CG 4.28Å; F1037-L1042 HydrophobicContact CZ-CD1 4.26Å; F1037-L1042 HydrophobicContact CZ-CG 4.16Å; L1039-L1042 HydrophobicContact CD2-CD1 4Å; L1039-L1042 PolarHBondContact O-N 3.27Å; L1042-V1095 HydrophobicContact CD2-CG1 4.46Å; L1042-I1122 HydrophobicContact CB-CD1 3.6Å; L1042-I1122 HydrophobicContact CD2-CD1 4.42Å; L1042-I1122 HydrophobicContact CG-CD1 4.41Å | ||
| 1043 | S | 62 | Low | 60.9 | Low | 58 Ų | 58 | 83.4 Ų | 83.4 | 41% | 0.406 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -95.2 | 170.5 | 170.5 | 54 | 0 | 0 | 0 | 0 | 111.9 | K1041 N1088 | K1041-S1043 PolarHBondContact O-N 2.88Å; K1041-S1043 VanDerWaalsContact O-N 3.11Å; S1043-N1088 PolarHBondContact OG-ND2 2.8Å |
| 1044 | S | 69.3 | Low | 61.9 | Low | 78 Ų | 78 | 81.4 Ų | 81.4 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 143.3 | -174.4 | 46.1 | 0 | 0 | 0 | 0 | 114 | N1088 | S1044-N1088 PolarHBondContact O-ND2 2.82Š|
| 1045 | P | 68.7 | Low | 62.8 | Low | 14 Ų | 14 | 74.7 Ų | 74.7 | 9% | 0.091 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 139.8 | -178.9 | -20.6 | 32.7 | 0 | 0 | 0 | 113.7 | N1088 G1096 P1098 I1122 K1125 A1126 | P1045-N1088 CarbonylContact C-O 3.56Å; P1045-N1088 WeakPolarHBondContact CA-O 3.47Å; P1045-G1096 WeakPolarHBondContact CB-O 3.36Å; P1045-G1096 WeakPolarHBondContact CG-O 3.35Å; P1045-P1098 HydrophobicContact CB-CB 4.47Å; P1045-I1122 HydrophobicContact CG-CG2 4.06Å; P1045-K1125 HydrophobicContact CG-CB 4.24Å; P1045-A1126 HydrophobicContact CB-CB 4.21Å; P1045-A1126 HydrophobicContact CG-CB 3.78Å |
| 1046 | K | 72.1 | Confident | 63.3 | Low | 88 Ų | 88 | 75.4 Ų | 75.4 | 38% | 0.383 | 44% | 0.442 | S | S | . | . | trans | -148.3 | 170.8 | 178.1 | 60.2 | -177.1 | 179.4 | 173.2 | 0 | 111.2 | S1061 N1088 T1089 A1090 P1098 | K1046-S1061 WeakPolarHBondContact CE-O 3.4Å; K1046-S1061 PolarHBondContact NZ-O 3.13Å; K1046-N1088 PolarHBondContact N-O 2.82Å; K1046-T1089 HydrophobicContact CG-CG2 4.12Å; K1046-T1089 VanDerWaalsContact O-CA 3.27Å; K1046-T1089 WeakPolarHBondContact O-CA 3.33Å; K1046-A1090 PolarHBondContact O-N 3.36Å; K1046-P1098 VanDerWaalsContact O-CD 3.3Å; K1046-P1098 WeakPolarHBondContact O-CD 3.39Å | ||
| 1047 | H | 69.3 | Low | 63.7 | Low | 76 Ų | 76 | 70.5 Ų | 70.5 | 35% | 0.352 | 41% | 0.414 | S | S | . | . | trans | -73.3 | -44.3 | 178.7 | -177.2 | 65.1 | 0 | 0 | 0 | 112.4 | A1064 A1090 Y1099 | H1047-A1064 VanDerWaalsContact O-CB 3.3Å; H1047-A1064 WeakPolarHBondContact O-CB 3.41Å; H1047-A1090 PolarHBondContact O-N 3.27Å; H1047-Y1099 PolarHBondContact CE1-OH 3.24Å; H1047-Y1099 AromaticContact ND1-CE2 3.76Å; H1047-Y1099 AromaticContact ND1-CZ 3.52Å; H1047-Y1099 PolarHBondContact ND1-OH 3.48Å | ||
| 1048 | G | 72.9 | Confident | 64 | Low | 18 Ų | 18 | 72 Ų | 72 | 19% | 0.186 | 43% | 0.427 | C | S | . | . | trans | 95 | 159.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1062 T1089 | G1048-T1062 CarbonylContact C-O 3.45Å; G1048-T1062 VanDerWaalsContact CA-O 3.31Å; G1048-T1062 WeakPolarHBondContact CA-O 3.29Å; G1048-T1089 VanDerWaalsContact CA-CG2 3.47Å | ||
| 1049 | Q | 73.8 | Confident | 63.9 | Low | 128 Ų | 128 | 69 Ų | 69 | 60% | 0.598 | 42% | 0.416 | S | S | * | . | B | Isolated β-bridge | trans | -82.1 | 147.1 | 173.4 | -65.1 | -177.7 | 0.1 | 0 | 0 | 109.9 | T1062 Y1063 A1064 | Q1049-T1062 PolarHBondContact N-O 3Å; Q1049-Y1063 HydrophobicContact CB-CD1 4.21Å; Q1049-Y1063 HydrophobicContact CB-CE1 4.45Å; Q1049-Y1063 CarbonylContact O-C 3.59Å; Q1049-Y1063 WeakPolarHBondContact O-CA 3.2Å; Q1049-Y1063 WeakPolarHBondContact O-CD1 3.15Å; Q1049-A1064 PolarHBondContact O-N 3.34Å |
| 1050 | V | 70.1 | Confident | 63.7 | Low | 111 Ų | 111 | 67.7 Ų | 67.7 | 67% | 0.673 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -86.7 | 124.7 | 174.9 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | P1052 | V1050-P1052 VanDerWaalsContact O-CD 3.32Å; V1050-P1052 WeakPolarHBondContact O-CD 3.38Å |
| 1051 | D | 70.2 | Confident | 63.9 | Low | 24 Ų | 24 | 65.7 Ų | 65.7 | 13% | 0.128 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 118 | 175.7 | 173.6 | 23.3 | 0 | 0 | 0 | 110.4 | T1053 G1054 S1055 H1057 Y1063 | D1051-T1053 PolarHBondContact O-N 3.18Å; D1051-T1053 PolarHBondContact OD1-N 3.36Å; D1051-T1053 PolarHBondContact OD1-OG1 2.93Å; D1051-T1053 PolarHBondContact OD2-OG1 3.32Å; D1051-G1054 PolarHBondContact O-N 3.25Å; D1051-G1054 PolarHBondContact OD2-N 3.41Å; D1051-S1055 WeakPolarHBondContact OD2-CB 3.4Å; D1051-S1055 PolarHBondContact OD2-N 3.16Å; D1051-H1057 VanDerWaalsContact CB-NE2 3.35Å; D1051-H1057 WeakPolarHBondContact CB-NE2 3.41Å; D1051-H1057 IonicContact OD1-NE2 3.78Å; D1051-H1057 IonicContact OD2-CD2 2.75Å; D1051-H1057 PolarHBondContact OD2-CD2 3.46Å; D1051-H1057 IonicContact OD2-CE1 3.37Å; D1051-H1057 IonicContact OD2-NE2 3.07Å; D1051-H1057 PolarHBondContact OD2-NE2 2.87Å; D1051-Y1063 HydrophobicContact CB-CD1 3.85Å; D1051-Y1063 HydrophobicContact CB-CE1 4.08Å |
| 1052 | P | 69.7 | Low | 64.4 | Low | 128 Ų | 128 | 63.5 Ų | 63.5 | 83% | 0.831 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.4 | 178.4 | 25.5 | -32.8 | 0 | 0 | 0 | 113.6 | V1050 | V1050-P1052 VanDerWaalsContact O-CD 3.32Å; V1050-P1052 WeakPolarHBondContact O-CD 3.38Å |
| 1053 | T | 69.3 | Low | 64.8 | Low | 101 Ų | 101 | 66 Ų | 66 | 62% | 0.62 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -10.4 | 177.5 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | D1051 S1055 | D1051-T1053 PolarHBondContact O-N 3.18Å; D1051-T1053 PolarHBondContact OD1-N 3.36Å; D1051-T1053 PolarHBondContact OD1-OG1 2.93Å; D1051-T1053 PolarHBondContact OD2-OG1 3.32Å; T1053-S1055 PolarHBondContact O-N 2.79Å; T1053-S1055 PolarHBondContact OG1-OG 2.9Å |
| 1054 | G | 64.9 | Low | 65.1 | Low | 49 Ų | 49 | 63.9 Ų | 63.9 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | trans | 63 | 20.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1051 H1105 | D1051-G1054 PolarHBondContact O-N 3.25Å; D1051-G1054 PolarHBondContact OD2-N 3.41Å; G1054-H1105 PolarHBondContact O-CE1 3.33Å | ||
| 1055 | S | 63.1 | Low | 64.7 | Low | 52 Ų | 52 | 60.4 Ų | 60.4 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | trans | -70.7 | 141.5 | 180 | -55.3 | 0 | 0 | 0 | 0 | 109.7 | D1051 T1053 H1057 | D1051-S1055 WeakPolarHBondContact OD2-CB 3.4Å; D1051-S1055 PolarHBondContact OD2-N 3.16Å; T1053-S1055 PolarHBondContact O-N 2.79Å; T1053-S1055 PolarHBondContact OG1-OG 2.9Å; S1055-H1057 PolarHBondContact O-CD2 2.78Å; S1055-H1057 PolarHBondContact O-N 3.11Å | ||
| 1056 | P | 57.7 | Low | 64.2 | Low | 77 Ų | 77 | 60.6 Ų | 60.6 | 50% | 0.5 | 38% | 0.376 | S | S | . | . | trans | -66 | 109 | 171.9 | 26.3 | -31.4 | 0 | 0 | 0 | 109.4 | V1058 | P1056-V1058 PolarHBondContact O-N 3.48Š| ||
| 1057 | H | 55.3 | Low | 63.2 | Low | 53 Ų | 53 | 56.8 Ų | 56.8 | 25% | 0.245 | 36% | 0.361 | C | S | . | . | trans | -85.8 | 111.4 | 175.6 | -74.1 | -74.5 | 0 | 0 | 0 | 110.6 | D1051 S1055 G1059 Y1063 G1066 | D1051-H1057 VanDerWaalsContact CB-NE2 3.35Å; D1051-H1057 WeakPolarHBondContact CB-NE2 3.41Å; D1051-H1057 IonicContact OD1-NE2 3.78Å; D1051-H1057 IonicContact OD2-CD2 2.75Å; D1051-H1057 PolarHBondContact OD2-CD2 3.46Å; D1051-H1057 IonicContact OD2-CE1 3.37Å; D1051-H1057 IonicContact OD2-NE2 3.07Å; D1051-H1057 PolarHBondContact OD2-NE2 2.87Å; S1055-H1057 PolarHBondContact O-CD2 2.78Å; S1055-H1057 PolarHBondContact O-N 3.11Å; H1057-G1059 PolarHBondContact O-N 2.87Å; H1057-Y1063 HydrophobicContact CB-CD2 4.2Å; H1057-Y1063 HydrophobicContact CB-CG 4.44Å; H1057-Y1063 AromaticContact CD2-CD2 3.95Å; H1057-Y1063 AromaticContact CD2-CG 3.87Å; H1057-Y1063 AromaticContact CE1-CD2 3.91Å; H1057-Y1063 AromaticContact CE1-CE2 3.82Å; H1057-Y1063 AromaticContact CG-CD2 3.57Å; H1057-Y1063 AromaticContact CG-CG 3.87Å; H1057-Y1063 AromaticContact ND1-CD2 3.55Å; H1057-Y1063 AromaticContact ND1-CE2 3.79Å; H1057-G1066 VanDerWaalsContact O-CA 3.32Å; H1057-G1066 WeakPolarHBondContact O-CA 3.41Å | ||
| 1058 | V | 54.4 | Low | 62.1 | Low | 72 Ų | 72 | 54.1 Ų | 54.1 | 44% | 0.436 | 35% | 0.354 | S | S | . | . | trans | -92 | 91.7 | -179.6 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | P1056 D1069 | P1056-V1058 PolarHBondContact O-N 3.48Å; V1058-D1069 HydrophobicContact CG1-CB 4.12Å; V1058-D1069 WeakPolarHBondContact CG1-O 3.35Å; V1058-D1069 HydrophobicContact CG2-CB 3.57Å | ||
| 1059 | G | 53.2 | Low | 61 | Low | 26 Ų | 26 | 56.5 Ų | 56.5 | 27% | 0.268 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 78.1 | 171.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | H1057 G1085 | H1057-G1059 PolarHBondContact O-N 2.87Å; G1059-G1085 WeakPolarHBondContact CA-O 3.45Å |
| 1060 | G | 51.7 | Low | 59.6 | Low | 40 Ų | 40 | 53.3 Ų | 53.3 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | trans | 100.8 | 159.5 | -166 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1062 G1086 | G1060-T1062 VanDerWaalsContact C-N 3.31Å; G1060-G1086 VanDerWaalsContact O-CA 3.22Å; G1060-G1086 WeakPolarHBondContact O-CA 3.27Å; G1060-G1086 PolarHBondContact O-N 3.23Å | ||
| 1061 | S | 59.4 | Low | 58.1 | Low | 52 Ų | 52 | 56.6 Ų | 56.6 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -95.1 | 15.4 | 176.5 | 62 | 0 | 0 | 0 | 0 | 111.9 | K1046 N1088 T1089 | K1046-S1061 WeakPolarHBondContact CE-O 3.4Å; K1046-S1061 PolarHBondContact NZ-O 3.13Å; S1061-N1088 WeakPolarHBondContact CB-OD1 3.24Å; S1061-T1089 WeakPolarHBondContact O-CG2 3.25Å |
| 1062 | T | 67 | Low | 56.3 | Low | 63 Ų | 63 | 59.9 Ų | 59.9 | 39% | 0.387 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -98.9 | -51.7 | -165.6 | -43.6 | 0 | 0 | 0 | 0 | 112.3 | G1048 Q1049 G1060 | G1048-T1062 CarbonylContact C-O 3.45Å; G1048-T1062 VanDerWaalsContact CA-O 3.31Å; G1048-T1062 WeakPolarHBondContact CA-O 3.29Å; Q1049-T1062 PolarHBondContact N-O 3Å; G1060-T1062 VanDerWaalsContact C-N 3.31Å |
| 1063 | Y | 67.6 | Low | 54.4 | Low | 77 Ų | 77 | 63.6 Ų | 63.6 | 30% | 0.302 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -100.3 | 147.1 | -169.3 | -62.4 | -78 | 0 | 0 | 0 | 113.9 | Q1049 D1051 H1057 T1089 | Q1049-Y1063 HydrophobicContact CB-CD1 4.21Å; Q1049-Y1063 HydrophobicContact CB-CE1 4.45Å; Q1049-Y1063 CarbonylContact O-C 3.59Å; Q1049-Y1063 WeakPolarHBondContact O-CA 3.2Å; Q1049-Y1063 WeakPolarHBondContact O-CD1 3.15Å; D1051-Y1063 HydrophobicContact CB-CD1 3.85Å; D1051-Y1063 HydrophobicContact CB-CE1 4.08Å; H1057-Y1063 HydrophobicContact CB-CD2 4.2Å; H1057-Y1063 HydrophobicContact CB-CG 4.44Å; H1057-Y1063 AromaticContact CD2-CD2 3.95Å; H1057-Y1063 AromaticContact CD2-CG 3.87Å; H1057-Y1063 AromaticContact CE1-CD2 3.91Å; H1057-Y1063 AromaticContact CE1-CE2 3.82Å; H1057-Y1063 AromaticContact CG-CD2 3.57Å; H1057-Y1063 AromaticContact CG-CG 3.87Å; H1057-Y1063 AromaticContact ND1-CD2 3.55Å; H1057-Y1063 AromaticContact ND1-CE2 3.79Å; Y1063-T1089 WeakPolarHBondContact O-CB 3.29Å; Y1063-T1089 PolarHBondContact O-OG1 3.15Å |
| 1064 | A | 67.1 | Low | 52.6 | Low | 14 Ų | 14 | 63.1 Ų | 63.1 | 12% | 0.116 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 142.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H1047 Q1049 L1101 | H1047-A1064 VanDerWaalsContact O-CB 3.3Å; H1047-A1064 WeakPolarHBondContact O-CB 3.41Å; Q1049-A1064 PolarHBondContact O-N 3.34Å; A1064-L1101 HydrophobicContact CB-CD2 4.09Å |
| 1065 | G | 61.3 | Low | 51.3 | Low | 6 Ų | 6 | 66.2 Ų | 66.2 | 6% | 0.062 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 11 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A1090 S1103 | G1065-A1090 PolarHBondContact N-O 2.78Å; G1065-S1103 WeakPolarHBondContact CA-OG 3.21Å |
| 1066 | G | 57.4 | Low | 49.6 | Very low | 17 Ų | 17 | 72.2 Ų | 72.2 | 18% | 0.175 | 43% | 0.429 | C | S | . | . | trans | -60 | 140 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H1057 | H1057-G1066 VanDerWaalsContact O-CA 3.32Å; H1057-G1066 WeakPolarHBondContact O-CA 3.41Å | ||
| 1067 | T | 52.4 | Low | 48.2 | Very low | 8 Ų | 8 | 77.2 Ų | 77.2 | 5% | 0.049 | 45% | 0.446 | C | S | . | . | trans | -132.1 | 125.5 | 175.9 | 52 | 0 | 0 | 0 | 0 | 106.8 | H1105 P1106 | T1067-H1105 HydrophobicContact CG2-CB 4.22Å; T1067-H1105 WeakPolarHBondContact OG1-CB 3.44Å; T1067-P1106 WeakPolarHBondContact CB-O 3.32Å; T1067-P1106 VanDerWaalsContact CG2-O 3.28Å; T1067-P1106 WeakPolarHBondContact CG2-O 3.5Å; T1067-P1106 PolarHBondContact OG1-O 2.71Å | ||
| 1068 | G | 46.1 | Very low | 46.8 | Very low | 20 Ų | 20 | 83.2 Ų | 83.2 | 21% | 0.206 | 48% | 0.476 | C | S | . | . | trans | -81.7 | 128 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1108 | G1068-Y1108 WeakPolarHBondContact O-CB 3.48Å; G1068-Y1108 VanDerWaalsContact O-CD1 3.23Å; G1068-Y1108 WeakPolarHBondContact O-CD1 3.21Å; G1068-Y1108 WeakPolarHBondContact O-CD2 3.4Å; G1068-Y1108 WeakPolarHBondContact O-CE2 3.5Å | ||
| 1069 | D | 49.1 | Very low | 45.7 | Very low | 68 Ų | 68 | 85.2 Ų | 85.2 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | trans | -113.7 | 130.1 | 179.7 | -171.3 | -12.5 | 0 | 0 | 0 | 111.7 | V1058 Q1071 | V1058-D1069 HydrophobicContact CG1-CB 4.12Å; V1058-D1069 WeakPolarHBondContact CG1-O 3.35Å; V1058-D1069 HydrophobicContact CG2-CB 3.57Å; D1069-Q1071 PolarHBondContact OD1-N 2.85Å; D1069-Q1071 VanDerWaalsContact OD1-N 3.09Å | ||
| 1070 | P | 44.7 | Very low | 44.6 | Very low | 62 Ų | 62 | 88.7 Ų | 88.7 | 40% | 0.403 | 52% | 0.52 | S | S | . | . | trans | -83.6 | -9 | 179.4 | 29.8 | -33 | 0 | 0 | 0 | 116.2 | S1072 | P1070-S1072 PolarHBondContact O-N 3.12Š| ||
| 1071 | Q | 38.4 | Very low | 43.9 | Very low | 179 Ų | 179 | 93.7 Ų | 93.7 | 84% | 0.836 | 54% | 0.536 | S | S | * | . | trans | -84.7 | 0.4 | -165.4 | -80.5 | -168.5 | 6.8 | 0 | 0 | 117.9 | D1069 F1073 | D1069-Q1071 PolarHBondContact OD1-N 2.85Å; D1069-Q1071 VanDerWaalsContact OD1-N 3.09Å; Q1071-F1073 PolarHBondContact O-N 2.82Å | ||
| 1072 | S | 32.9 | Very low | 42.8 | Very low | 94 Ų | 94 | 95.7 Ų | 95.7 | 66% | 0.657 | 55% | 0.546 | S | S | * | . | trans | -87.1 | 76.8 | 169.4 | 67.3 | 0 | 0 | 0 | 0 | 111.6 | P1070 | P1070-S1072 PolarHBondContact O-N 3.12Š| ||
| 1073 | F | 29.3 | Very low | 41.3 | Very low | 206 Ų | 206 | 98.6 Ų | 98.6 | 90% | 0.904 | 56% | 0.558 | S | S | * | * | trans | -167.9 | 114 | 146 | -101.5 | -70.7 | 0 | 0 | 0 | 111.1 | Q1071 | Q1071-F1073 PolarHBondContact O-N 2.82Š| ||
| 1074 | A | 30.7 | Very low | 40.1 | Very low | 91 Ų | 91 | 96.9 Ų | 96.9 | 75% | 0.752 | 55% | 0.554 | S | S | * | * | trans | -68.3 | 161.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1075 | P | 39.2 | Very low | 38.7 | Very low | 113 Ų | 113 | 97.6 Ų | 97.6 | 73% | 0.734 | 56% | 0.562 | S | S | * | * | trans | -87.2 | 133.5 | -151.6 | 33.6 | -31.6 | 0 | 0 | 0 | 112.1 | ||||
| 1076 | Q | 26.9 | Very low | 38.2 | Very low | 178 Ų | 178 | 98 Ų | 98 | 83% | 0.832 | 57% | 0.566 | S | S | * | * | trans | 170.2 | 125.6 | 136.4 | -93.7 | 160.6 | 31.4 | 0 | 0 | 111.1 | ||||
| 1077 | Q | 27.4 | Very low | 38.3 | Very low | 183 Ų | 183 | 98.4 Ų | 98.4 | 86% | 0.855 | 56% | 0.562 | S | S | * | * | trans | 53.3 | 132.9 | 149.6 | -62.5 | -176.7 | 18.3 | 0 | 0 | 120.3 | ||||
| 1078 | M | 26.5 | Very low | 38.6 | Very low | 178 Ų | 178 | 98.2 Ų | 98.2 | 88% | 0.877 | 56% | 0.561 | S | S | * | * | trans | 86.2 | 114.5 | 172 | -60.1 | -141.3 | 125.6 | 0 | 0 | 116.9 | S1080 | M1078-S1080 PolarHBondContact O-N 3.14Å; M1078-S1080 VanDerWaalsContact O-N 3.11Å | ||
| 1079 | A | 32.3 | Very low | 39.6 | Very low | 115 Ų | 115 | 97.5 Ų | 97.5 | 95% | 0.95 | 55% | 0.553 | S | S | * | * | trans | -64.7 | 101.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1080 | S | 28.5 | Very low | 40.4 | Very low | 98 Ų | 98 | 94.3 Ų | 94.3 | 69% | 0.685 | 54% | 0.535 | S | S | * | . | trans | -143 | 99.6 | 168.8 | 41.5 | 0 | 0 | 0 | 0 | 110.2 | M1078 | M1078-S1080 PolarHBondContact O-N 3.14Å; M1078-S1080 VanDerWaalsContact O-N 3.11Å | ||
| 1081 | I | 37.3 | Very low | 41.4 | Very low | 146 Ų | 146 | 91.8 Ų | 91.8 | 75% | 0.749 | 52% | 0.521 | S | S | * | . | trans | 25.3 | 103.2 | 151.4 | -56.9 | 170.2 | 0 | 0 | 0 | 115.6 | I1083 | I1081-I1083 PolarHBondContact O-N 3.22Š| ||
| 1082 | V | 36.8 | Very low | 42.5 | Very low | 94 Ų | 94 | 84.6 Ų | 84.6 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | trans | -73.7 | 116.8 | 174.3 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | L1084 | V1082-L1084 HydrophobicContact CG1-CD2 4.44Å; V1082-L1084 HydrophobicContact CG1-CG 4.29Å; V1082-L1084 PolarHBondContact O-N 3.02Å | ||
| 1083 | I | 35.9 | Very low | 43.6 | Very low | 123 Ų | 123 | 80.8 Ų | 80.8 | 63% | 0.631 | 46% | 0.463 | S | S | * | . | trans | -83.3 | 90.1 | 176 | -55.4 | 169.2 | 0 | 0 | 0 | 107.9 | I1081 | I1081-I1083 PolarHBondContact O-N 3.22Š| ||
| 1084 | L | 42.3 | Very low | 44.8 | Very low | 42 Ų | 42 | 72.3 Ų | 72.3 | 22% | 0.22 | 44% | 0.435 | C | S | . | . | trans | -64.5 | 163.1 | 168.6 | -67.9 | 161 | 0 | 0 | 0 | 109.3 | F1035 V1082 Y1087 L1110 | F1035-L1084 HydrophobicContact CB-CD1 3.86Å; F1035-L1084 HydrophobicContact CD2-CD1 3.59Å; F1035-L1084 HydrophobicContact CE2-CD1 4.32Å; F1035-L1084 HydrophobicContact CG-CD1 3.9Å; V1082-L1084 HydrophobicContact CG1-CD2 4.44Å; V1082-L1084 HydrophobicContact CG1-CG 4.29Å; V1082-L1084 PolarHBondContact O-N 3.02Å; L1084-Y1087 VanDerWaalsContact C-CZ 3.47Å; L1084-Y1087 WeakPolarHBondContact CA-OH 3.32Å; L1084-Y1087 VanDerWaalsContact CB-OH 3.26Å; L1084-Y1087 WeakPolarHBondContact CB-OH 3.1Å; L1084-Y1087 WeakPolarHBondContact O-CE2 3.28Å; L1084-Y1087 PolarHBondContact O-OH 3.43Å; L1084-L1110 HydrophobicContact CD1-CD2 4.38Å | ||
| 1085 | G | 37.6 | Very low | 46.1 | Very low | 28 Ų | 28 | 69 Ų | 69 | 29% | 0.289 | 41% | 0.405 | S | S | . | . | trans | -146 | 170.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1059 Y1087 | G1059-G1085 WeakPolarHBondContact CA-O 3.45Å; G1085-Y1087 VanDerWaalsContact CA-CE2 3.49Å | ||
| 1086 | G | 49.8 | Very low | 46.9 | Very low | 14 Ų | 14 | 63.8 Ų | 63.8 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | trans | 106.1 | 24.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G1060 | G1060-G1086 VanDerWaalsContact O-CA 3.22Å; G1060-G1086 WeakPolarHBondContact O-CA 3.27Å; G1060-G1086 PolarHBondContact O-N 3.23Å | ||
| 1087 | Y | 59.2 | Low | 48.8 | Very low | 27 Ų | 27 | 56.4 Ų | 56.4 | 11% | 0.106 | 34% | 0.344 | C | S | . | . | trans | -77.8 | -32.9 | -159.1 | -62 | -69.9 | 0 | 0 | 0 | 116.5 | F1037 L1084 G1085 V1095 G1096 G1097 | F1037-Y1087 HydrophobicContact CD2-CE1 4.04Å; F1037-Y1087 AromaticContact CE2-CD1 3.98Å; F1037-Y1087 HydrophobicContact CE2-CD1 3.98Å; F1037-Y1087 AromaticContact CE2-CE1 3.32Å; F1037-Y1087 HydrophobicContact CE2-CE1 3.32Å; F1037-Y1087 HydrophobicContact CE2-CE2 4.05Å; F1037-Y1087 AromaticContact CE2-CZ 3.34Å; F1037-Y1087 WeakPolarHBondContact CE2-OH 3.42Å; F1037-Y1087 HydrophobicContact CZ-CD1 4.12Å; F1037-Y1087 AromaticContact CZ-CE1 3.91Å; F1037-Y1087 HydrophobicContact CZ-CE1 3.91Å; L1084-Y1087 VanDerWaalsContact C-CZ 3.47Å; L1084-Y1087 WeakPolarHBondContact CA-OH 3.32Å; L1084-Y1087 VanDerWaalsContact CB-OH 3.26Å; L1084-Y1087 WeakPolarHBondContact CB-OH 3.1Å; L1084-Y1087 WeakPolarHBondContact O-CE2 3.28Å; L1084-Y1087 PolarHBondContact O-OH 3.43Å; G1085-Y1087 VanDerWaalsContact CA-CE2 3.49Å; Y1087-V1095 HydrophobicContact CD1-CB 4.3Å; Y1087-V1095 HydrophobicContact CD1-CG2 4.08Å; Y1087-V1095 HydrophobicContact CE1-CG2 4.39Å; Y1087-G1096 CarbonylContact O-C 3.4Å; Y1087-G1096 WeakPolarHBondContact O-CA 3.31Å; Y1087-G1096 PolarHBondContact O-N 3.43Å; Y1087-G1097 PolarHBondContact O-N 3.31Å | ||
| 1088 | N | 60.1 | Low | 50.7 | Low | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -120.7 | 5.1 | -172.2 | 67.4 | -28.2 | 0 | 0 | 0 | 114.3 | S1043 S1044 P1045 K1046 S1061 | S1043-N1088 PolarHBondContact OG-ND2 2.8Å; S1044-N1088 PolarHBondContact O-ND2 2.82Å; P1045-N1088 CarbonylContact C-O 3.56Å; P1045-N1088 WeakPolarHBondContact CA-O 3.47Å; K1046-N1088 PolarHBondContact N-O 2.82Å; S1061-N1088 WeakPolarHBondContact CB-OD1 3.24Å |
| 1089 | T | 66.9 | Low | 52.7 | Low | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -97.5 | 160.1 | 175.8 | 48.5 | 0 | 0 | 0 | 0 | 112 | K1046 G1048 S1061 Y1063 G1091 G1097 | K1046-T1089 HydrophobicContact CG-CG2 4.12Å; K1046-T1089 VanDerWaalsContact O-CA 3.27Å; K1046-T1089 WeakPolarHBondContact O-CA 3.33Å; G1048-T1089 VanDerWaalsContact CA-CG2 3.47Å; S1061-T1089 WeakPolarHBondContact O-CG2 3.25Å; Y1063-T1089 WeakPolarHBondContact O-CB 3.29Å; Y1063-T1089 PolarHBondContact O-OG1 3.15Å; T1089-G1091 PolarHBondContact O-N 2.95Å; T1089-G1097 WeakPolarHBondContact O-CA 3.28Å |
| 1090 | A | 65.4 | Low | 54.4 | Low | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -70.8 | 127.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K1046 H1047 G1065 P1098 Y1099 L1101 | K1046-A1090 PolarHBondContact O-N 3.36Å; H1047-A1090 PolarHBondContact O-N 3.27Å; G1065-A1090 PolarHBondContact N-O 2.78Å; A1090-P1098 HydrophobicContact CB-CG 4.46Å; A1090-Y1099 WeakPolarHBondContact CA-O 3.38Å; A1090-Y1099 HydrophobicContact CB-CD2 3.92Å; A1090-Y1099 HydrophobicContact CB-CE2 3.67Å; A1090-L1101 HydrophobicContact CB-CB 4.16Å |
| 1091 | G | 66.5 | Low | 55.9 | Low | 10 Ų | 10 | 43 Ų | 43 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 179 | 172.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112 | T1089 Y1099 | T1089-G1091 PolarHBondContact O-N 2.95Å; G1091-Y1099 PolarHBondContact N-O 3.37Å |
| 1092 | L | 60.4 | Low | 57.2 | Low | 28 Ų | 28 | 40.3 Ų | 40.3 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -80.2 | -31.4 | -175.3 | -68 | 174.6 | 0 | 0 | 0 | 114 | R1100 D1102 V1107 | L1092-R1100 HydrophobicContact CD2-CB 4.15Å; L1092-D1102 HydrophobicContact CD1-CB 3.92Å; L1092-D1102 HydrophobicContact CD2-CB 4.32Å; L1092-D1102 HydrophobicContact CG-CB 4.34Å; L1092-V1107 HydrophobicContact CB-CG1 4.01Å; L1092-V1107 HydrophobicContact CD1-CG1 4.42Å; L1092-V1107 HydrophobicContact CD1-CG2 3.59Å |
| 1093 | G | 56.9 | Low | 58.4 | Low | 13 Ų | 13 | 38.8 Ų | 38.8 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -97.1 | -13.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y1108 | G1093-Y1108 VanDerWaalsContact CA-O 3.29Å; G1093-Y1108 WeakPolarHBondContact CA-O 3.34Å |
| 1094 | G | 53.5 | Low | 59.5 | Low | 29 Ų | 29 | 34.5 Ų | 34.5 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | trans | -75 | 149 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1095 | V | 57.9 | Low | 60.5 | Low | 21 Ų | 21 | 34.6 Ų | 34.6 | 13% | 0.127 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -78 | -37.1 | -178.3 | 176.5 | 0 | 0 | 0 | 0 | 113.2 | L1042 Y1087 L1110 V1114 V1118 | L1042-V1095 HydrophobicContact CD2-CG1 4.46Å; Y1087-V1095 HydrophobicContact CD1-CB 4.3Å; Y1087-V1095 HydrophobicContact CD1-CG2 4.08Å; Y1087-V1095 HydrophobicContact CE1-CG2 4.39Å; V1095-L1110 HydrophobicContact CG2-CD1 3.32Å; V1095-L1110 HydrophobicContact CG2-CG 4.48Å; V1095-V1114 HydrophobicContact CG2-CG1 4.37Å; V1095-V1118 HydrophobicContact CB-CG2 4.47Å; V1095-V1118 HydrophobicContact CG1-CB 4.44Å; V1095-V1118 HydrophobicContact CG1-CG2 3.01Å |
| 1096 | G | 57.2 | Low | 61.4 | Low | 4 Ų | 4 | 36 Ų | 36 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -128 | 13.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1045 Y1087 | P1045-G1096 WeakPolarHBondContact CB-O 3.36Å; P1045-G1096 WeakPolarHBondContact CG-O 3.35Å; Y1087-G1096 CarbonylContact O-C 3.4Å; Y1087-G1096 WeakPolarHBondContact O-CA 3.31Å; Y1087-G1096 PolarHBondContact O-N 3.43Å |
| 1097 | G | 65.9 | Low | 61.6 | Low | 23 Ų | 23 | 36.5 Ų | 36.5 | 24% | 0.237 | 21% | 0.211 | C | C | . | . | trans | -64.3 | 143 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1087 T1089 Y1099 | Y1087-G1097 PolarHBondContact O-N 3.31Å; T1089-G1097 WeakPolarHBondContact O-CA 3.28Å; G1097-Y1099 PolarHBondContact O-N 3.31Å | ||
| 1098 | P | 67.1 | Low | 61.4 | Low | 11 Ų | 11 | 37.4 Ų | 37.4 | 7% | 0.071 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -70.4 | -35.1 | -172.2 | 27.6 | -34.7 | 0 | 0 | 0 | 113.2 | P1045 K1046 A1090 V1129 A1130 | P1045-P1098 HydrophobicContact CB-CB 4.47Å; K1046-P1098 VanDerWaalsContact O-CD 3.3Å; K1046-P1098 WeakPolarHBondContact O-CD 3.39Å; A1090-P1098 HydrophobicContact CB-CG 4.46Å; P1098-V1129 HydrophobicContact CB-CB 3.77Å; P1098-V1129 HydrophobicContact CB-CG1 3.5Å; P1098-V1129 VanDerWaalsContact CB-CG1 3.5Å; P1098-V1129 HydrophobicContact CG-CG1 3.91Å; P1098-A1130 WeakPolarHBondContact O-CB 3.29Å |
| 1099 | Y | 69.5 | Low | 61.2 | Low | 76 Ų | 76 | 40 Ų | 40 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -154.8 | 167.3 | 179.8 | 48.2 | -94.8 | 0 | 0 | 0 | 110.3 | H1047 A1090 G1091 G1097 L1101 A1133 | H1047-Y1099 PolarHBondContact CE1-OH 3.24Å; H1047-Y1099 AromaticContact ND1-CE2 3.76Å; H1047-Y1099 AromaticContact ND1-CZ 3.52Å; H1047-Y1099 PolarHBondContact ND1-OH 3.48Å; A1090-Y1099 WeakPolarHBondContact CA-O 3.38Å; A1090-Y1099 HydrophobicContact CB-CD2 3.92Å; A1090-Y1099 HydrophobicContact CB-CE2 3.67Å; G1091-Y1099 PolarHBondContact N-O 3.37Å; G1097-Y1099 PolarHBondContact O-N 3.31Å; Y1099-L1101 HydrophobicContact CE2-CD1 4.44Å; Y1099-A1133 HydrophobicContact CD1-CB 4.04Å; Y1099-A1133 HydrophobicContact CE1-CB 3.55Å |
| 1100 | R | 68 | Low | 60.7 | Low | 157 Ų | 157 | 41.1 Ų | 41.1 | 59% | 0.592 | 23% | 0.232 | S | C | * | . | trans | -86 | 128.3 | -177.3 | -64 | -145.5 | 174.6 | -178.6 | -1.4 | 110.6 | L1092 | L1092-R1100 HydrophobicContact CD2-CB 4.15Š| ||
| 1101 | L | 60.9 | Low | 60.3 | Low | 47 Ų | 47 | 42 Ų | 42 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | trans | -126.7 | 116.4 | 176.5 | -165.6 | 100.1 | 0 | 0 | 0 | 107.3 | A1064 A1090 Y1099 | A1064-L1101 HydrophobicContact CB-CD2 4.09Å; A1090-L1101 HydrophobicContact CB-CB 4.16Å; Y1099-L1101 HydrophobicContact CE2-CD1 4.44Å | ||
| 1102 | D | 62.6 | Low | 60.1 | Low | 91 Ų | 91 | 46.1 Ų | 46.1 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | trans | -96 | 114.3 | 176.7 | -176.3 | 12.7 | 0 | 0 | 0 | 109.5 | R1028 L1092 G1104 | R1028-D1102 IonicContact NH1-OD1 3.93Å; R1028-D1102 PolarHBondContact NH1-OD1 2.72Å; R1028-D1102 IonicContact NH1-OD2 3.47Å; R1028-D1102 PolarHBondContact NH1-OD2 3.13Å; L1092-D1102 HydrophobicContact CD1-CB 3.92Å; L1092-D1102 HydrophobicContact CD2-CB 4.32Å; L1092-D1102 HydrophobicContact CG-CB 4.34Å; D1102-G1104 WeakPolarHBondContact OD1-CA 3.33Å; D1102-G1104 PolarHBondContact OD1-N 2.88Å | ||
| 1103 | S | 63.2 | Low | 60.1 | Low | 61 Ų | 61 | 48.7 Ų | 48.7 | 43% | 0.427 | 27% | 0.269 | S | S | . | . | trans | -95.6 | 4.7 | 173.6 | -58.4 | 0 | 0 | 0 | 0 | 113 | G1065 | G1065-S1103 WeakPolarHBondContact CA-OG 3.21Š| ||
| 1104 | G | 59.1 | Low | 60.3 | Low | 33 Ų | 33 | 48.2 Ų | 48.2 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 92.8 | 7.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | D1102 | D1102-G1104 WeakPolarHBondContact OD1-CA 3.33Å; D1102-G1104 PolarHBondContact OD1-N 2.88Å |
| 1105 | H | 62.1 | Low | 60.7 | Low | 44 Ų | 44 | 49.4 Ų | 49.4 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | trans | -93.1 | 164.1 | -177.2 | -55.9 | -58.2 | 0 | 0 | 0 | 113 | G1054 T1067 | G1054-H1105 PolarHBondContact O-CE1 3.33Å; T1067-H1105 HydrophobicContact CG2-CB 4.22Å; T1067-H1105 WeakPolarHBondContact OG1-CB 3.44Å | ||
| 1106 | P | 56.8 | Low | 60.9 | Low | 57 Ų | 57 | 55.3 Ų | 55.3 | 37% | 0.37 | 29% | 0.286 | S | S | . | . | trans | -59.4 | 141.3 | 178.2 | -19.8 | 31.6 | 0 | 0 | 0 | 112.3 | T1067 Y1108 | T1067-P1106 WeakPolarHBondContact CB-O 3.32Å; T1067-P1106 VanDerWaalsContact CG2-O 3.28Å; T1067-P1106 WeakPolarHBondContact CG2-O 3.5Å; T1067-P1106 PolarHBondContact OG1-O 2.71Å; P1106-Y1108 HydrophobicContact CB-CE2 3.93Å; P1106-Y1108 WeakPolarHBondContact O-CD2 3.34Å | ||
| 1107 | V | 53.6 | Low | 61.3 | Low | 25 Ų | 25 | 59.7 Ų | 59.7 | 15% | 0.152 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 113.4 | -166.7 | -175 | 0 | 0 | 0 | 0 | 110.9 | L1030 L1092 | L1030-V1107 WeakPolarHBondContact CA-O 3.31Å; L1030-V1107 HydrophobicContact CD1-CB 4.14Å; L1030-V1107 HydrophobicContact CD1-CG1 4.02Å; L1092-V1107 HydrophobicContact CB-CG1 4.01Å; L1092-V1107 HydrophobicContact CD1-CG1 4.42Å; L1092-V1107 HydrophobicContact CD1-CG2 3.59Å |
| 1108 | Y | 56 | Low | 61.3 | Low | 47 Ų | 47 | 59 Ų | 59 | 18% | 0.184 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.4 | 176.7 | -63.8 | -97 | 0 | 0 | 0 | 110 | F1031 G1068 G1093 P1106 | F1031-Y1108 HydrophobicContact CB-CD1 3.61Å; F1031-Y1108 HydrophobicContact CB-CE1 3.68Å; F1031-Y1108 HydrophobicContact CD2-CD1 4.01Å; F1031-Y1108 AromaticContact CD2-CE1 3.33Å; F1031-Y1108 HydrophobicContact CD2-CE1 3.33Å; F1031-Y1108 AromaticContact CD2-CZ 3.77Å; F1031-Y1108 HydrophobicContact CE2-CE1 4.2Å; F1031-Y1108 HydrophobicContact CG-CD1 4.23Å; F1031-Y1108 AromaticContact CG-CE1 3.79Å; F1031-Y1108 HydrophobicContact CG-CE1 3.79Å; G1068-Y1108 WeakPolarHBondContact O-CB 3.48Å; G1068-Y1108 VanDerWaalsContact O-CD1 3.23Å; G1068-Y1108 WeakPolarHBondContact O-CD1 3.21Å; G1068-Y1108 WeakPolarHBondContact O-CD2 3.4Å; G1068-Y1108 WeakPolarHBondContact O-CE2 3.5Å; G1093-Y1108 VanDerWaalsContact CA-O 3.29Å; G1093-Y1108 WeakPolarHBondContact CA-O 3.34Å; P1106-Y1108 HydrophobicContact CB-CE2 3.93Å; P1106-Y1108 WeakPolarHBondContact O-CD2 3.34Å |
| 1109 | Q | 55.2 | Low | 61.5 | Low | 58 Ų | 58 | 61.5 Ų | 61.5 | 27% | 0.271 | 31% | 0.313 | S | S | . | . | trans | -110.7 | 125.7 | -171 | -179.5 | 167.9 | -23.1 | 0 | 0 | 111.4 | L1030 F1031 | L1030-Q1109 HydrophobicContact CD1-CB 4.45Å; F1031-Q1109 PolarHBondContact O-N 3.21Å | ||
| 1110 | L | 56.7 | Low | 61.6 | Low | 29 Ų | 29 | 65.3 Ų | 65.3 | 15% | 0.152 | 33% | 0.334 | C | S | . | . | trans | -69.7 | 143.9 | 174.5 | -79.2 | 153.9 | 0 | 0 | 0 | 111.9 | L1084 V1095 K1115 | L1084-L1110 HydrophobicContact CD1-CD2 4.38Å; V1095-L1110 HydrophobicContact CG2-CD1 3.32Å; V1095-L1110 HydrophobicContact CG2-CG 4.48Å; L1110-K1115 WeakPolarHBondContact O-CE 3.48Å | ||
| 1111 | P | 57.3 | Low | 61.8 | Low | 17 Ų | 17 | 63.1 Ų | 63.1 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | trans | -58.9 | 148.2 | 176.1 | -20.9 | 30.9 | 0 | 0 | 0 | 112.6 | E1033 H1113 V1114 | E1033-P1111 WeakPolarHBondContact O-CG 3.24Å; P1111-H1113 VanDerWaalsContact C-N 3.32Å; P1111-H1113 PolarHBondContact O-N 2.83Å; P1111-V1114 PolarHBondContact O-N 3Å; P1111-V1114 VanDerWaalsContact O-N 3.12Å | ||
| 1112 | D | 62 | Low | 62.2 | Low | 97 Ų | 97 | 61.9 Ų | 61.9 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.9 | -31.5 | -172.7 | -66.9 | -33 | 0 | 0 | 0 | 113.8 | V1114 K1115 E1116 | D1112-V1114 PolarHBondContact O-N 3.08Å; D1112-K1115 WeakPolarHBondContact O-CA 3.33Å; D1112-K1115 WeakPolarHBondContact O-CB 3.15Å; D1112-K1115 PolarHBondContact O-N 3.45Å; D1112-K1115 IonicContact OD1-NZ 3.74Å; D1112-K1115 PolarHBondContact OD1-NZ 3.14Å; D1112-E1116 WeakPolarHBondContact O-CG 3.43Å; D1112-E1116 PolarHBondContact O-N 2.79Å |
| 1113 | H | 60.7 | Low | 62.3 | Low | 83 Ų | 83 | 62 Ų | 62 | 38% | 0.384 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -29.9 | 176.2 | 76.4 | -89 | 0 | 0 | 0 | 112.9 | P1111 E1116 Q1117 | P1111-H1113 VanDerWaalsContact C-N 3.32Å; P1111-H1113 PolarHBondContact O-N 2.83Å; H1113-E1116 PolarHBondContact O-N 3.35Å; H1113-Q1117 WeakPolarHBondContact O-CG 3.21Å; H1113-Q1117 PolarHBondContact O-N 3.08Å |
| 1114 | V | 60.9 | Low | 62.6 | Low | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.6 | -38 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | F1037 V1095 P1111 D1112 E1116 Q1117 | F1037-V1114 HydrophobicContact CB-CG1 3.99Å; F1037-V1114 HydrophobicContact CD1-CG1 3.98Å; F1037-V1114 HydrophobicContact CG-CG1 4.01Å; V1095-V1114 HydrophobicContact CG2-CG1 4.37Å; P1111-V1114 PolarHBondContact O-N 3Å; P1111-V1114 VanDerWaalsContact O-N 3.12Å; D1112-V1114 PolarHBondContact O-N 3.08Å; V1114-E1116 VanDerWaalsContact C-N 3.29Å; V1114-E1116 PolarHBondContact O-N 3.19Å; V1114-Q1117 PolarHBondContact O-N 3.4Å |
| 1115 | K | 61.2 | Low | 63.2 | Low | 54 Ų | 54 | 68.1 Ų | 68.1 | 24% | 0.235 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.9 | -33.7 | 174.6 | -59.5 | 177.5 | -167.2 | 150 | 0 | 111.5 | L1110 D1112 Q1117 V1118 R1123 | L1110-K1115 WeakPolarHBondContact O-CE 3.48Å; D1112-K1115 WeakPolarHBondContact O-CA 3.33Å; D1112-K1115 WeakPolarHBondContact O-CB 3.15Å; D1112-K1115 PolarHBondContact O-N 3.45Å; D1112-K1115 IonicContact OD1-NZ 3.74Å; D1112-K1115 PolarHBondContact OD1-NZ 3.14Å; K1115-Q1117 VanDerWaalsContact C-N 3.28Å; K1115-Q1117 PolarHBondContact O-N 3.32Å; K1115-V1118 WeakPolarHBondContact O-CB 3.32Å; K1115-V1118 VanDerWaalsContact O-CG2 3.25Å; K1115-V1118 WeakPolarHBondContact O-CG2 3.37Å; K1115-V1118 PolarHBondContact O-N 2.59Å; K1115-R1123 PolarHBondContact O-NH2 2.73Å |
| 1116 | E | 63 | Low | 63.3 | Low | 146 Ų | 146 | 66.7 Ų | 66.7 | 68% | 0.682 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.4 | -26.5 | 176.6 | -74.4 | 177.3 | -179.7 | 0 | 0 | 113.1 | D1112 H1113 V1114 V1118 R1123 | D1112-E1116 WeakPolarHBondContact O-CG 3.43Å; D1112-E1116 PolarHBondContact O-N 2.79Å; H1113-E1116 PolarHBondContact O-N 3.35Å; V1114-E1116 VanDerWaalsContact C-N 3.29Å; V1114-E1116 PolarHBondContact O-N 3.19Å; E1116-V1118 VanDerWaalsContact C-N 3.32Å; E1116-V1118 PolarHBondContact O-N 3.37Å; E1116-R1123 VanDerWaalsContact CA-NH2 3.25Å; E1116-R1123 PolarHBondContact O-NH2 2.77Å |
| 1117 | Q | 65 | Low | 63.9 | Low | 96 Ų | 96 | 72.6 Ų | 72.6 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7 | 177.3 | -68.8 | 175.5 | 10.2 | 0 | 0 | 114.3 | L1039 H1113 V1114 K1115 P1119 | L1039-Q1117 HydrophobicContact CD1-CB 4.16Å; L1039-Q1117 HydrophobicContact CD2-CB 3.85Å; L1039-Q1117 WeakPolarHBondContact CD2-O 3.47Å; H1113-Q1117 WeakPolarHBondContact O-CG 3.21Å; H1113-Q1117 PolarHBondContact O-N 3.08Å; V1114-Q1117 PolarHBondContact O-N 3.4Å; K1115-Q1117 VanDerWaalsContact C-N 3.28Å; K1115-Q1117 PolarHBondContact O-N 3.32Å; Q1117-P1119 WeakPolarHBondContact O-CD 3.14Å |
| 1118 | V | 66.8 | Low | 64.8 | Low | 7 Ų | 7 | 76.4 Ų | 76.4 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -63 | 125.1 | 178.7 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | V1095 K1115 E1116 E1120 I1122 R1123 | V1095-V1118 HydrophobicContact CB-CG2 4.47Å; V1095-V1118 HydrophobicContact CG1-CB 4.44Å; V1095-V1118 HydrophobicContact CG1-CG2 3.01Å; K1115-V1118 WeakPolarHBondContact O-CB 3.32Å; K1115-V1118 VanDerWaalsContact O-CG2 3.25Å; K1115-V1118 WeakPolarHBondContact O-CG2 3.37Å; K1115-V1118 PolarHBondContact O-N 2.59Å; E1116-V1118 VanDerWaalsContact C-N 3.32Å; E1116-V1118 PolarHBondContact O-N 3.37Å; V1118-E1120 PolarHBondContact O-N 2.82Å; V1118-I1122 HydrophobicContact CG1-CB 4.04Å; V1118-I1122 HydrophobicContact CG1-CG2 4.14Å; V1118-R1123 HydrophobicContact CB-CG 4.27Å; V1118-R1123 HydrophobicContact CG1-CG 3.94Å; V1118-R1123 VanDerWaalsContact O-CZ 3.31Å; V1118-R1123 PolarHBondContact O-NH2 2.89Å |
| 1119 | P | 70.8 | Confident | 65.6 | Low | 64 Ų | 64 | 76.8 Ų | 76.8 | 42% | 0.416 | 36% | 0.356 | S | S | . | . | trans | -53.2 | 134.3 | 175.9 | -26.6 | 34.4 | 0 | 0 | 0 | 111.8 | Q1117 E1121 I1122 R1123 | Q1117-P1119 WeakPolarHBondContact O-CD 3.14Å; P1119-E1121 PolarHBondContact O-N 3.47Å; P1119-E1121 VanDerWaalsContact O-N 3.08Å; P1119-I1122 HydrophobicContact CG-CD1 4.45Å; P1119-I1122 PolarHBondContact O-N 2.85Å; P1119-R1123 PolarHBondContact O-N 3.06Å | ||
| 1120 | E | 71.1 | Confident | 65.9 | Low | 157 Ų | 157 | 75.3 Ų | 75.3 | 73% | 0.734 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -53.2 | -34.1 | -178.1 | -98.4 | -171.3 | 152.3 | 0 | 0 | 113 | V1118 I1122 R1123 R1124 | V1118-E1120 PolarHBondContact O-N 2.82Å; E1120-I1122 VanDerWaalsContact C-N 3.28Å; E1120-I1122 PolarHBondContact O-N 2.94Å; E1120-R1123 PolarHBondContact O-N 3.48Å; E1120-R1124 PolarHBondContact O-N 3.3Å |
| 1121 | E | 72.6 | Confident | 66.6 | Low | 111 Ų | 111 | 79.7 Ų | 79.7 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61 | -36.9 | 179.8 | -153.2 | -166 | 147.1 | 0 | 0 | 112.6 | P1119 K1125 | P1119-E1121 PolarHBondContact O-N 3.47Å; P1119-E1121 VanDerWaalsContact O-N 3.08Å; E1121-K1125 WeakPolarHBondContact O-CG 3.42Å; E1121-K1125 PolarHBondContact O-N 3.28Å; E1121-K1125 VanDerWaalsContact O-N 3.12Å; E1121-K1125 IonicContact OE1-NZ 2.78Å; E1121-K1125 PolarHBondContact OE1-NZ 3.2Å |
| 1122 | I | 68.7 | Low | 67.1 | Low | 21 Ų | 21 | 87.5 Ų | 87.5 | 11% | 0.108 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -74.3 | -41.6 | 177.9 | -61.2 | -178 | 0 | 0 | 0 | 110.2 | L1042 P1045 V1118 P1119 E1120 R1124 K1125 A1126 | L1042-I1122 HydrophobicContact CB-CD1 3.6Å; L1042-I1122 HydrophobicContact CD2-CD1 4.42Å; L1042-I1122 HydrophobicContact CG-CD1 4.41Å; P1045-I1122 HydrophobicContact CG-CG2 4.06Å; V1118-I1122 HydrophobicContact CG1-CB 4.04Å; V1118-I1122 HydrophobicContact CG1-CG2 4.14Å; P1119-I1122 HydrophobicContact CG-CD1 4.45Å; P1119-I1122 PolarHBondContact O-N 2.85Å; E1120-I1122 VanDerWaalsContact C-N 3.28Å; E1120-I1122 PolarHBondContact O-N 2.94Å; I1122-R1124 VanDerWaalsContact C-N 3.28Å; I1122-R1124 PolarHBondContact O-N 2.7Å; I1122-K1125 PolarHBondContact O-N 3.04Å; I1122-A1126 WeakPolarHBondContact O-CB 3.41Å; I1122-A1126 PolarHBondContact O-N 3.28Å |
| 1123 | R | 65.9 | Low | 67.3 | Low | 94 Ų | 94 | 84.1 Ų | 84.1 | 36% | 0.355 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 174.7 | -67.3 | -172.2 | -169.7 | 138.9 | 7 | 111.7 | K1115 E1116 V1118 P1119 E1120 A1126 R1127 | K1115-R1123 PolarHBondContact O-NH2 2.73Å; E1116-R1123 VanDerWaalsContact CA-NH2 3.25Å; E1116-R1123 PolarHBondContact O-NH2 2.77Å; V1118-R1123 HydrophobicContact CB-CG 4.27Å; V1118-R1123 HydrophobicContact CG1-CG 3.94Å; V1118-R1123 VanDerWaalsContact O-CZ 3.31Å; V1118-R1123 PolarHBondContact O-NH2 2.89Å; P1119-R1123 PolarHBondContact O-N 3.06Å; E1120-R1123 PolarHBondContact O-N 3.48Å; R1123-A1126 PolarHBondContact O-N 3.19Å; R1123-R1127 WeakPolarHBondContact O-CG 3.21Å; R1123-R1127 PolarHBondContact O-N 3.05Å |
| 1124 | R | 69.3 | Low | 67.2 | Low | 146 Ų | 146 | 85.7 Ų | 85.7 | 55% | 0.551 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.2 | -49 | 177.3 | -165.5 | -177.1 | 72.4 | -157.8 | -5.1 | 111.1 | E1120 I1122 A1126 R1127 E1128 | E1120-R1124 PolarHBondContact O-N 3.3Å; I1122-R1124 VanDerWaalsContact C-N 3.28Å; I1122-R1124 PolarHBondContact O-N 2.7Å; R1124-A1126 VanDerWaalsContact C-N 3.31Å; R1124-A1126 PolarHBondContact O-N 3.38Å; R1124-R1127 WeakPolarHBondContact O-CB 3.48Å; R1124-R1127 PolarHBondContact O-N 3.2Å; R1124-E1128 IonicContact NE-OE1 2.59Å; R1124-E1128 WeakPolarHBondContact O-CG 3.12Å; R1124-E1128 PolarHBondContact O-N 3.38Å |
| 1125 | K | 71.8 | Confident | 67.3 | Low | 76 Ų | 76 | 92 Ų | 92 | 33% | 0.33 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 176.2 | -74.3 | 176 | -173.8 | 161.3 | 0 | 112.1 | P1045 E1121 I1122 E1128 V1129 | P1045-K1125 HydrophobicContact CG-CB 4.24Å; E1121-K1125 WeakPolarHBondContact O-CG 3.42Å; E1121-K1125 PolarHBondContact O-N 3.28Å; E1121-K1125 VanDerWaalsContact O-N 3.12Å; E1121-K1125 IonicContact OE1-NZ 2.78Å; E1121-K1125 PolarHBondContact OE1-NZ 3.2Å; I1122-K1125 PolarHBondContact O-N 3.04Å; K1125-E1128 PolarHBondContact O-N 2.86Å; K1125-V1129 WeakPolarHBondContact O-CG2 3.4Å; K1125-V1129 PolarHBondContact O-N 3.33Å |
| 1126 | A | 64.9 | Low | 67.5 | Low | 13 Ų | 13 | 94.5 Ų | 94.5 | 11% | 0.107 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63 | -45 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P1045 I1122 R1123 R1124 E1128 V1129 A1130 | P1045-A1126 HydrophobicContact CB-CB 4.21Å; P1045-A1126 HydrophobicContact CG-CB 3.78Å; I1122-A1126 WeakPolarHBondContact O-CB 3.41Å; I1122-A1126 PolarHBondContact O-N 3.28Å; R1123-A1126 PolarHBondContact O-N 3.19Å; R1124-A1126 VanDerWaalsContact C-N 3.31Å; R1124-A1126 PolarHBondContact O-N 3.38Å; A1126-E1128 PolarHBondContact O-N 3.34Å; A1126-V1129 PolarHBondContact O-N 3.29Å; A1126-A1130 WeakPolarHBondContact O-CB 3.28Å; A1126-A1130 PolarHBondContact O-N 3.13Å |
| 1127 | R | 68.5 | Low | 67.3 | Low | 182 Ų | 182 | 95.4 Ų | 95.4 | 69% | 0.687 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.4 | -42.4 | 174.1 | -77.1 | 179.7 | 178.2 | 175.9 | 0.4 | 112.5 | R1123 R1124 A1130 Q1131 | R1123-R1127 WeakPolarHBondContact O-CG 3.21Å; R1123-R1127 PolarHBondContact O-N 3.05Å; R1124-R1127 WeakPolarHBondContact O-CB 3.48Å; R1124-R1127 PolarHBondContact O-N 3.2Å; R1127-A1130 WeakPolarHBondContact O-CB 3.4Å; R1127-A1130 PolarHBondContact O-N 3.21Å; R1127-Q1131 WeakPolarHBondContact O-CB 3.21Å; R1127-Q1131 WeakPolarHBondContact O-CG 3.37Å; R1127-Q1131 PolarHBondContact O-N 3.01Å |
| 1128 | E | 73.3 | Confident | 66.8 | Low | 104 Ų | 104 | 92.4 Ų | 92.4 | 49% | 0.486 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 178 | -73.6 | 169.5 | -167.1 | 0 | 0 | 111.7 | R1124 K1125 A1126 Q1131 R1132 | R1124-E1128 IonicContact NE-OE1 2.59Å; R1124-E1128 WeakPolarHBondContact O-CG 3.12Å; R1124-E1128 PolarHBondContact O-N 3.38Å; K1125-E1128 PolarHBondContact O-N 2.86Å; A1126-E1128 PolarHBondContact O-N 3.34Å; E1128-Q1131 PolarHBondContact O-N 3.14Å; E1128-R1132 WeakPolarHBondContact O-CB 3.39Å; E1128-R1132 PolarHBondContact O-N 2.86Å |
| 1129 | V | 71.7 | Confident | 66.2 | Low | 55 Ų | 55 | 101.7 Ų | 101.7 | 33% | 0.333 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 175.8 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | P1098 K1125 A1126 R1132 A1133 | P1098-V1129 HydrophobicContact CB-CB 3.77Å; P1098-V1129 HydrophobicContact CB-CG1 3.5Å; P1098-V1129 VanDerWaalsContact CB-CG1 3.5Å; P1098-V1129 HydrophobicContact CG-CG1 3.91Å; K1125-V1129 WeakPolarHBondContact O-CG2 3.4Å; K1125-V1129 PolarHBondContact O-N 3.33Å; A1126-V1129 PolarHBondContact O-N 3.29Å; V1129-R1132 PolarHBondContact O-N 3.22Å; V1129-A1133 WeakPolarHBondContact O-CB 2.8Å; V1129-A1133 PolarHBondContact O-N 3.38Å |
| 1130 | A | 62.8 | Low | 65.3 | Low | 27 Ų | 27 | 105.9 Ų | 105.9 | 22% | 0.223 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1098 A1126 R1127 R1132 A1133 F1134 | P1098-A1130 WeakPolarHBondContact O-CB 3.29Å; A1126-A1130 WeakPolarHBondContact O-CB 3.28Å; A1126-A1130 PolarHBondContact O-N 3.13Å; R1127-A1130 WeakPolarHBondContact O-CB 3.4Å; R1127-A1130 PolarHBondContact O-N 3.21Å; A1130-R1132 VanDerWaalsContact C-N 3.29Å; A1130-R1132 PolarHBondContact O-N 3.34Å; A1130-A1133 PolarHBondContact O-N 2.65Å; A1130-F1134 WeakPolarHBondContact O-CB 3.41Å; A1130-F1134 PolarHBondContact O-N 3.26Å |
| 1131 | Q | 69.9 | Low | 64.3 | Low | 121 Ų | 121 | 102.7 Ų | 102.7 | 57% | 0.565 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.5 | -37.4 | 177.5 | -76.4 | -176.9 | -4.2 | 0 | 0 | 111.7 | R1127 E1128 K1135 | R1127-Q1131 WeakPolarHBondContact O-CB 3.21Å; R1127-Q1131 WeakPolarHBondContact O-CG 3.37Å; R1127-Q1131 PolarHBondContact O-N 3.01Å; E1128-Q1131 PolarHBondContact O-N 3.14Å; Q1131-K1135 WeakPolarHBondContact O-CB 3.43Å; Q1131-K1135 WeakPolarHBondContact O-CG 3.49Å; Q1131-K1135 PolarHBondContact O-N 3.16Å |
| 1132 | R | 68.2 | Low | 63.6 | Low | 182 Ų | 182 | 106.7 Ų | 106.7 | 69% | 0.687 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.5 | -47.9 | 176.5 | -158.2 | -179.5 | -148.7 | 139.7 | 3.1 | 111.3 | E1128 V1129 A1130 F1134 K1135 E1136 | E1128-R1132 WeakPolarHBondContact O-CB 3.39Å; E1128-R1132 PolarHBondContact O-N 2.86Å; V1129-R1132 PolarHBondContact O-N 3.22Å; A1130-R1132 VanDerWaalsContact C-N 3.29Å; A1130-R1132 PolarHBondContact O-N 3.34Å; R1132-F1134 PolarHBondContact O-N 2.96Å; R1132-K1135 PolarHBondContact O-N 3.38Å; R1132-E1136 PolarHBondContact O-N 3.19Å |
| 1133 | A | 66.1 | Low | 63.4 | Low | 25 Ų | 25 | 106.8 Ų | 106.8 | 21% | 0.207 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1099 V1129 A1130 E1136 R1137 | Y1099-A1133 HydrophobicContact CD1-CB 4.04Å; Y1099-A1133 HydrophobicContact CE1-CB 3.55Å; V1129-A1133 WeakPolarHBondContact O-CB 2.8Å; V1129-A1133 PolarHBondContact O-N 3.38Å; A1130-A1133 PolarHBondContact O-N 2.65Å; A1133-E1136 PolarHBondContact O-N 3.08Å; A1133-R1137 WeakPolarHBondContact O-CB 3.47Å; A1133-R1137 PolarHBondContact O-N 3.01Å |
| 1134 | F | 59.2 | Low | 63.7 | Low | 117 Ų | 117 | 105 Ų | 105 | 51% | 0.513 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 174.4 | -177.7 | -112.1 | 0 | 0 | 0 | 111.8 | A1130 R1132 E1136 R1137 L1138 | A1130-F1134 WeakPolarHBondContact O-CB 3.41Å; A1130-F1134 PolarHBondContact O-N 3.26Å; R1132-F1134 PolarHBondContact O-N 2.96Å; F1134-E1136 VanDerWaalsContact C-N 3.34Å; F1134-E1136 PolarHBondContact O-N 2.95Å; F1134-R1137 PolarHBondContact O-N 3.48Å; F1134-L1138 HydrophobicContact CD1-CD1 3.82Å; F1134-L1138 HydrophobicContact CD1-CG 4.48Å; F1134-L1138 HydrophobicContact CE1-CD1 3.38Å; F1134-L1138 HydrophobicContact CE1-CG 4.17Å; F1134-L1138 HydrophobicContact CE2-CD1 4.45Å; F1134-L1138 HydrophobicContact CE2-CG 4.4Å; F1134-L1138 HydrophobicContact CZ-CD1 3.74Å; F1134-L1138 HydrophobicContact CZ-CD2 4.38Å; F1134-L1138 HydrophobicContact CZ-CG 4.13Å; F1134-L1138 WeakPolarHBondContact O-CB 3.37Å; F1134-L1138 WeakPolarHBondContact O-CG 3.49Å; F1134-L1138 PolarHBondContact O-N 3.03Å |
| 1135 | K | 63.1 | Low | 63.6 | Low | 135 Ų | 135 | 104.1 Ų | 104.1 | 59% | 0.587 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.6 | -37.3 | 174.6 | -78 | 179.6 | 178.5 | 178.9 | 0 | 112.7 | Q1131 R1132 R1139 | Q1131-K1135 WeakPolarHBondContact O-CB 3.43Å; Q1131-K1135 WeakPolarHBondContact O-CG 3.49Å; Q1131-K1135 PolarHBondContact O-N 3.16Å; R1132-K1135 PolarHBondContact O-N 3.38Å; K1135-R1139 WeakPolarHBondContact O-CB 3.26Å; K1135-R1139 WeakPolarHBondContact O-CG 3.45Å; K1135-R1139 PolarHBondContact O-N 3.5Å |
| 1136 | E | 64.3 | Low | 63.7 | Low | 106 Ų | 106 | 107.2 Ų | 107.2 | 50% | 0.495 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 173.1 | -79.5 | 172.7 | 179.8 | 0 | 0 | 111.5 | R1132 A1133 F1134 L1138 R1139 E1140 | R1132-E1136 PolarHBondContact O-N 3.19Å; A1133-E1136 PolarHBondContact O-N 3.08Å; F1134-E1136 VanDerWaalsContact C-N 3.34Å; F1134-E1136 PolarHBondContact O-N 2.95Å; E1136-L1138 PolarHBondContact O-N 3.18Å; E1136-R1139 CarbonylContact O-C 3.59Å; E1136-R1139 WeakPolarHBondContact O-CA 3.38Å; E1136-R1139 WeakPolarHBondContact O-CB 3.42Å; E1136-R1139 PolarHBondContact O-N 2.66Å; E1136-R1139 VanDerWaalsContact O-N 3.09Å; E1136-E1140 WeakPolarHBondContact O-CG 3.33Å; E1136-E1140 PolarHBondContact O-N 3.01Å |
| 1137 | R | 59.4 | Low | 64.4 | Low | 164 Ų | 164 | 107.5 Ų | 107.5 | 62% | 0.619 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.7 | -41.7 | 174.5 | -156.7 | 109.4 | 178.5 | -174.3 | 2.2 | 112.3 | A1133 F1134 R1139 E1140 I1141 | A1133-R1137 WeakPolarHBondContact O-CB 3.47Å; A1133-R1137 PolarHBondContact O-N 3.01Å; F1134-R1137 PolarHBondContact O-N 3.48Å; R1137-R1139 VanDerWaalsContact C-N 3.33Å; R1137-E1140 WeakPolarHBondContact O-CB 3Å; R1137-E1140 PolarHBondContact O-N 2.92Å; R1137-I1141 HydrophobicContact CG-CD1 4.18Å; R1137-I1141 WeakPolarHBondContact O-CB 3.24Å; R1137-I1141 VanDerWaalsContact O-CG1 3.27Å; R1137-I1141 WeakPolarHBondContact O-CG1 3.46Å; R1137-I1141 PolarHBondContact O-N 3.3Å |
| 1138 | L | 54 | Low | 64.6 | Low | 33 Ų | 33 | 100.3 Ų | 100.3 | 17% | 0.173 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -64.6 | -36 | 173.3 | -75.3 | 176 | 0 | 0 | 0 | 111.9 | F1134 E1136 I1141 R1142 M1143 E1145 | F1134-L1138 HydrophobicContact CD1-CD1 3.82Å; F1134-L1138 HydrophobicContact CD1-CG 4.48Å; F1134-L1138 HydrophobicContact CE1-CD1 3.38Å; F1134-L1138 HydrophobicContact CE1-CG 4.17Å; F1134-L1138 HydrophobicContact CE2-CD1 4.45Å; F1134-L1138 HydrophobicContact CE2-CG 4.4Å; F1134-L1138 HydrophobicContact CZ-CD1 3.74Å; F1134-L1138 HydrophobicContact CZ-CD2 4.38Å; F1134-L1138 HydrophobicContact CZ-CG 4.13Å; F1134-L1138 WeakPolarHBondContact O-CB 3.37Å; F1134-L1138 WeakPolarHBondContact O-CG 3.49Å; F1134-L1138 PolarHBondContact O-N 3.03Å; E1136-L1138 PolarHBondContact O-N 3.18Å; L1138-I1141 CarbonylContact O-C 3.42Å; L1138-I1141 PolarHBondContact O-N 2.82Å; L1138-R1142 WeakPolarHBondContact O-CA 3.4Å; L1138-R1142 PolarHBondContact O-N 2.83Å; L1138-M1143 PolarHBondContact O-N 2.95Å; L1138-E1145 HydrophobicContact CD1-CG 4.24Å |
| 1139 | R | 54.3 | Low | 64.8 | Low | 202 Ų | 202 | 102 Ų | 102 | 76% | 0.762 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 171.4 | -85.4 | -178.7 | 172.6 | 177.9 | -2.7 | 112.2 | K1135 E1136 R1137 R1142 | K1135-R1139 WeakPolarHBondContact O-CB 3.26Å; K1135-R1139 WeakPolarHBondContact O-CG 3.45Å; K1135-R1139 PolarHBondContact O-N 3.5Å; E1136-R1139 CarbonylContact O-C 3.59Å; E1136-R1139 WeakPolarHBondContact O-CA 3.38Å; E1136-R1139 WeakPolarHBondContact O-CB 3.42Å; E1136-R1139 PolarHBondContact O-N 2.66Å; E1136-R1139 VanDerWaalsContact O-N 3.09Å; R1137-R1139 VanDerWaalsContact C-N 3.33Å; R1139-R1142 WeakPolarHBondContact O-CG 3.41Å; R1139-R1142 PolarHBondContact O-N 3.09Å; R1139-R1142 VanDerWaalsContact O-N 3.14Å |
| 1140 | E | 51.9 | Low | 65.3 | Low | 152 Ų | 152 | 101.6 Ų | 101.6 | 71% | 0.71 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 174.2 | -73.8 | 175.5 | 171.7 | 0 | 0 | 111.5 | E1136 R1137 R1142 | E1136-E1140 WeakPolarHBondContact O-CG 3.33Å; E1136-E1140 PolarHBondContact O-N 3.01Å; R1137-E1140 WeakPolarHBondContact O-CB 3Å; R1137-E1140 PolarHBondContact O-N 2.92Å; E1140-R1142 PolarHBondContact O-N 3.07Å |
| 1141 | I | 51.4 | Low | 66.3 | Low | 91 Ų | 91 | 101 Ų | 101 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -76.8 | -10.8 | 175.7 | -61.4 | 165.1 | 0 | 0 | 0 | 111.9 | R1137 L1138 M1143 | R1137-I1141 HydrophobicContact CG-CD1 4.18Å; R1137-I1141 WeakPolarHBondContact O-CB 3.24Å; R1137-I1141 VanDerWaalsContact O-CG1 3.27Å; R1137-I1141 WeakPolarHBondContact O-CG1 3.46Å; R1137-I1141 PolarHBondContact O-N 3.3Å; L1138-I1141 CarbonylContact O-C 3.42Å; L1138-I1141 PolarHBondContact O-N 2.82Å; I1141-M1143 HydrophobicContact CG2-CB 4.08Å; I1141-M1143 HydrophobicContact CG2-CG 3.99Å; I1141-M1143 HydrophobicContact CG2-SD 3.92Å; I1141-M1143 PolarHBondContact O-N 3.13Å |
| 1142 | R | 56.2 | Low | 66.9 | Low | 194 Ų | 194 | 99.4 Ų | 99.4 | 73% | 0.732 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 20.1 | -173.6 | -58.8 | -177 | 174.8 | -178.9 | -0.6 | 114.8 | L1138 R1139 E1140 K1295 | L1138-R1142 WeakPolarHBondContact O-CA 3.4Å; L1138-R1142 PolarHBondContact O-N 2.83Å; R1139-R1142 WeakPolarHBondContact O-CG 3.41Å; R1139-R1142 PolarHBondContact O-N 3.09Å; R1139-R1142 VanDerWaalsContact O-N 3.14Å; E1140-R1142 PolarHBondContact O-N 3.07Å; R1142-K1295 HydrophobicContact CB-CD 3.98Å; R1142-K1295 VanDerWaalsContact CB-NZ 3.32Å; R1142-K1295 WeakPolarHBondContact O-CD 3.36Å; R1142-K1295 WeakPolarHBondContact O-CE 3.41Å; R1142-K1295 PolarHBondContact O-NZ 2.83Å |
| 1143 | M | 65.4 | Low | 67.7 | Low | 24 Ų | 24 | 93.9 Ų | 93.9 | 12% | 0.118 | 44% | 0.442 | C | S | . | . | trans | -98.3 | 140.4 | 179.4 | -80.8 | 176.6 | 61.6 | 0 | 0 | 111.6 | L1138 I1141 D1147 A1148 K1295 | L1138-M1143 PolarHBondContact O-N 2.95Å; I1141-M1143 HydrophobicContact CG2-CB 4.08Å; I1141-M1143 HydrophobicContact CG2-CG 3.99Å; I1141-M1143 HydrophobicContact CG2-SD 3.92Å; I1141-M1143 PolarHBondContact O-N 3.13Å; M1143-D1147 HydrophobicContact CE-CB 4.2Å; M1143-A1148 HydrophobicContact CE-CB 3.73Å; M1143-K1295 HydrophobicContact CG-CB 3.54Å; M1143-K1295 HydrophobicContact CG-CD 3.79Å; M1143-K1295 HydrophobicContact CG-CG 3.52Å; M1143-K1295 HydrophobicContact SD-CB 3.72Å; M1143-K1295 HydrophobicContact SD-CG 4.31Å | ||
| 1144 | S | 71.2 | Confident | 68.5 | Low | 55 Ų | 55 | 93.5 Ų | 93.5 | 39% | 0.385 | 44% | 0.436 | S | S | . | . | trans | -79.5 | 159 | 165.8 | 71.7 | 0 | 0 | 0 | 0 | 110.7 | F1146 D1147 A1148 | S1144-F1146 VanDerWaalsContact C-N 3.26Å; S1144-F1146 PolarHBondContact O-N 2.95Å; S1144-D1147 PolarHBondContact N-OD2 2.71Å; S1144-D1147 WeakPolarHBondContact O-CB 3.3Å; S1144-D1147 PolarHBondContact O-N 3.19Å; S1144-D1147 VanDerWaalsContact O-N 3.11Å; S1144-D1147 PolarHBondContact OG-N 3.22Å; S1144-D1147 PolarHBondContact OG-OD1 3.24Å; S1144-D1147 PolarHBondContact OG-OD2 2.82Å; S1144-A1148 PolarHBondContact O-N 3.37Å | ||
| 1145 | E | 68.7 | Low | 69.8 | Low | 128 Ų | 128 | 90.2 Ų | 90.2 | 60% | 0.598 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -57.8 | -41.1 | 177.2 | -71.1 | 178 | 168.5 | 0 | 0 | 111.7 | L1138 D1147 A1148 E1149 | L1138-E1145 HydrophobicContact CD1-CG 4.24Å; E1145-D1147 VanDerWaalsContact C-N 3.28Å; E1145-D1147 PolarHBondContact O-N 3.34Å; E1145-A1148 PolarHBondContact O-N 2.89Å; E1145-E1149 PolarHBondContact O-N 3.41Å; E1145-E1149 VanDerWaalsContact O-N 3.13Å |
| 1146 | F | 72.8 | Confident | 70.7 | Confident | 142 Ų | 142 | 91.8 Ų | 91.8 | 62% | 0.623 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.1 | -36.9 | 176.3 | -178.3 | -97.8 | 0 | 0 | 0 | 112.9 | S1144 T1150 | S1144-F1146 VanDerWaalsContact C-N 3.26Å; S1144-F1146 PolarHBondContact O-N 2.95Å; F1146-T1150 WeakPolarHBondContact O-CB 3.24Å; F1146-T1150 PolarHBondContact O-N 2.66Å; F1146-T1150 PolarHBondContact O-OG1 3.15Å |
| 1147 | D | 79.9 | Confident | 71.5 | Confident | 19 Ų | 19 | 91.9 Ų | 91.9 | 10% | 0.102 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.5 | -41.3 | 178.7 | -65.3 | -21.1 | 0 | 0 | 0 | 111.6 | M1143 S1144 E1145 T1150 Y1151 L1298 K1302 | M1143-D1147 HydrophobicContact CE-CB 4.2Å; S1144-D1147 PolarHBondContact N-OD2 2.71Å; S1144-D1147 WeakPolarHBondContact O-CB 3.3Å; S1144-D1147 PolarHBondContact O-N 3.19Å; S1144-D1147 VanDerWaalsContact O-N 3.11Å; S1144-D1147 PolarHBondContact OG-N 3.22Å; S1144-D1147 PolarHBondContact OG-OD1 3.24Å; S1144-D1147 PolarHBondContact OG-OD2 2.82Å; E1145-D1147 VanDerWaalsContact C-N 3.28Å; E1145-D1147 PolarHBondContact O-N 3.34Å; D1147-T1150 PolarHBondContact O-N 2.88Å; D1147-Y1151 PolarHBondContact O-N 3.16Å; D1147-L1298 HydrophobicContact CB-CD2 3.56Å; D1147-L1298 VanDerWaalsContact O-CD2 3.23Å; D1147-L1298 WeakPolarHBondContact O-CD2 3.13Å; D1147-K1302 WeakPolarHBondContact OD1-CE 3.39Å; D1147-K1302 IonicContact OD1-NZ 3.86Å; D1147-K1302 PolarHBondContact OD1-NZ 3.45Å; D1147-K1302 IonicContact OD2-NZ 3.79Å; D1147-K1302 PolarHBondContact OD2-NZ 3.45Å |
| 1148 | A | 73.2 | Confident | 72.6 | Confident | 31 Ų | 31 | 84.1 Ų | 84.1 | 26% | 0.256 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M1143 S1144 E1145 T1150 Y1151 D1152 | M1143-A1148 HydrophobicContact CE-CB 3.73Å; S1144-A1148 PolarHBondContact O-N 3.37Å; E1145-A1148 PolarHBondContact O-N 2.89Å; A1148-T1150 VanDerWaalsContact C-N 3.31Å; A1148-T1150 PolarHBondContact O-N 3.17Å; A1148-Y1151 PolarHBondContact O-N 3.48Å; A1148-D1152 WeakPolarHBondContact O-CB 3.36Å; A1148-D1152 PolarHBondContact O-N 2.71Å |
| 1149 | E | 78.2 | Confident | 73.8 | Confident | 139 Ų | 139 | 83.4 Ų | 83.4 | 65% | 0.65 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.1 | -39.3 | 177.6 | -69.5 | -177 | 171.6 | 0 | 0 | 112.4 | E1145 S1153 | E1145-E1149 PolarHBondContact O-N 3.41Å; E1145-E1149 VanDerWaalsContact O-N 3.13Å; E1149-S1153 WeakPolarHBondContact O-CB 3.18Å; E1149-S1153 PolarHBondContact O-N 3.42Å |
| 1150 | T | 80.7 | Confident | 74.8 | Confident | 47 Ų | 47 | 81.7 Ų | 81.7 | 29% | 0.288 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 178.2 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | F1146 D1147 A1148 S1153 L1154 L1298 | F1146-T1150 WeakPolarHBondContact O-CB 3.24Å; F1146-T1150 PolarHBondContact O-N 2.66Å; F1146-T1150 PolarHBondContact O-OG1 3.15Å; D1147-T1150 PolarHBondContact O-N 2.88Å; A1148-T1150 VanDerWaalsContact C-N 3.31Å; A1148-T1150 PolarHBondContact O-N 3.17Å; T1150-S1153 PolarHBondContact O-N 2.54Å; T1150-L1154 PolarHBondContact O-N 3.33Å; T1150-L1298 HydrophobicContact CG2-CD1 4.05Å |
| 1151 | Y | 84.6 | Confident | 76.2 | Confident | 13 Ų | 13 | 76.4 Ų | 76.4 | 5% | 0.051 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.6 | -47.9 | 177.3 | -172.4 | -94.5 | 0 | 0 | 0 | 111.7 | D1147 A1148 S1153 L1154 M1155 L1255 E1259 P1294 R1297 L1298 | D1147-Y1151 PolarHBondContact O-N 3.16Å; A1148-Y1151 PolarHBondContact O-N 3.48Å; Y1151-S1153 PolarHBondContact O-N 2.95Å; Y1151-L1154 PolarHBondContact O-N 3.09Å; Y1151-M1155 HydrophobicContact CD1-CB 4.44Å; Y1151-M1155 HydrophobicContact CE1-CB 4.26Å; Y1151-M1155 HydrophobicContact CE1-CG 4.45Å; Y1151-M1155 WeakPolarHBondContact O-CB 3.47Å; Y1151-M1155 PolarHBondContact O-N 3.08Å; Y1151-L1255 HydrophobicContact CE2-CD1 3.69Å; Y1151-E1259 PolarHBondContact OH-OE1 3.01Å; Y1151-P1294 HydrophobicContact CD1-CB 3.95Å; Y1151-P1294 HydrophobicContact CD2-CB 4.33Å; Y1151-P1294 WeakPolarHBondContact CD2-O 3.5Å; Y1151-P1294 HydrophobicContact CE1-CB 3.65Å; Y1151-P1294 HydrophobicContact CE1-CG 4.19Å; Y1151-P1294 HydrophobicContact CE2-CB 4.04Å; Y1151-P1294 WeakPolarHBondContact CE2-O 3.36Å; Y1151-P1294 HydrophobicContact CG-CB 4.26Å; Y1151-R1297 HydrophobicContact CE2-CB 3.89Å; Y1151-R1297 WeakPolarHBondContact OH-CD 3.28Å; Y1151-L1298 HydrophobicContact CD2-CB 4Å; Y1151-L1298 HydrophobicContact CD2-CD1 4.39Å |
| 1152 | D | 82 | Confident | 77.6 | Confident | 88 Ų | 88 | 72 Ų | 72 | 47% | 0.471 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -34.9 | 179.6 | -79.6 | -9.6 | 0 | 0 | 0 | 112.1 | A1148 K1156 | A1148-D1152 WeakPolarHBondContact O-CB 3.36Å; A1148-D1152 PolarHBondContact O-N 2.71Å; D1152-K1156 WeakPolarHBondContact O-CB 3.25Å; D1152-K1156 WeakPolarHBondContact O-CG 3.36Å; D1152-K1156 PolarHBondContact O-N 3.42Å |
| 1153 | S | 84.4 | Confident | 78.6 | Confident | 67 Ų | 67 | 66.7 Ų | 66.7 | 47% | 0.469 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 175.7 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | E1149 T1150 Y1151 | E1149-S1153 WeakPolarHBondContact O-CB 3.18Å; E1149-S1153 PolarHBondContact O-N 3.42Å; T1150-S1153 PolarHBondContact O-N 2.54Å; Y1151-S1153 PolarHBondContact O-N 2.95Å |
| 1154 | L | 84.3 | Confident | 79.1 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 9% | 0.089 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.6 | -45.2 | 176.1 | -69.2 | 168.8 | 0 | 0 | 0 | 111.2 | T1150 Y1151 K1156 Q1157 V1158 E1252 L1255 L1301 | T1150-L1154 PolarHBondContact O-N 3.33Å; Y1151-L1154 PolarHBondContact O-N 3.09Å; L1154-K1156 VanDerWaalsContact C-N 3.31Å; L1154-K1156 PolarHBondContact O-N 3.43Å; L1154-Q1157 PolarHBondContact O-N 2.94Å; L1154-Q1157 VanDerWaalsContact O-N 3.09Å; L1154-V1158 PolarHBondContact O-N 2.92Å; L1154-E1252 HydrophobicContact CD2-CG 3.95Å; L1154-L1255 HydrophobicContact CB-CD2 3.74Å; L1154-L1301 HydrophobicContact CD1-CD1 3.76Å |
| 1155 | M | 85.1 | Confident | 79.3 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 23% | 0.232 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.3 | -33.7 | -179.2 | -168 | 59.5 | 177.4 | 0 | 0 | 112.3 | Y1151 Q1157 V1158 G1159 V1162 L1255 E1259 | Y1151-M1155 HydrophobicContact CD1-CB 4.44Å; Y1151-M1155 HydrophobicContact CE1-CB 4.26Å; Y1151-M1155 HydrophobicContact CE1-CG 4.45Å; Y1151-M1155 WeakPolarHBondContact O-CB 3.47Å; Y1151-M1155 PolarHBondContact O-N 3.08Å; M1155-Q1157 PolarHBondContact O-N 3.07Å; M1155-V1158 PolarHBondContact O-N 2.72Å; M1155-V1158 HydrophobicContact SD-CG2 4.07Å; M1155-G1159 WeakPolarHBondContact O-CA 3.44Å; M1155-G1159 PolarHBondContact O-N 3.44Å; M1155-V1162 HydrophobicContact CE-CG2 4.48Å; M1155-L1255 HydrophobicContact SD-CD2 4.48Å; M1155-E1259 HydrophobicContact CE-CG 4.08Å; M1155-E1259 HydrophobicContact SD-CG 4.27Å |
| 1156 | K | 83 | Confident | 79.8 | Confident | 168 Ų | 168 | 62.5 Ų | 62.5 | 73% | 0.73 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.5 | -30.5 | 173.7 | -83.4 | 171.4 | -176 | 170.9 | 0 | 113.4 | D1152 L1154 | D1152-K1156 WeakPolarHBondContact O-CB 3.25Å; D1152-K1156 WeakPolarHBondContact O-CG 3.36Å; D1152-K1156 PolarHBondContact O-N 3.42Å; L1154-K1156 VanDerWaalsContact C-N 3.31Å; L1154-K1156 PolarHBondContact O-N 3.43Å |
| 1157 | Q | 80.2 | Confident | 79.5 | Confident | 109 Ų | 109 | 60.3 Ų | 60.3 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -77.3 | -36.2 | 177.6 | -63.5 | -61.6 | -27.4 | 0 | 0 | 111.9 | L1154 M1155 | L1154-Q1157 PolarHBondContact O-N 2.94Å; L1154-Q1157 VanDerWaalsContact O-N 3.09Å; M1155-Q1157 PolarHBondContact O-N 3.07Å |
| 1158 | V | 82.7 | Confident | 78.8 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -103.9 | -13.6 | -173 | -61.1 | 0 | 0 | 0 | 0 | 115.4 | L1154 M1155 K1160 H1161 V1162 E1252 L1255 M1256 | L1154-V1158 PolarHBondContact O-N 2.92Å; M1155-V1158 PolarHBondContact O-N 2.72Å; M1155-V1158 HydrophobicContact SD-CG2 4.07Å; V1158-K1160 PolarHBondContact O-N 3.03Å; V1158-H1161 CarbonylContact O-C 3.56Å; V1158-H1161 WeakPolarHBondContact O-CA 3.23Å; V1158-H1161 VanDerWaalsContact O-CB 3.26Å; V1158-H1161 WeakPolarHBondContact O-CB 3.32Å; V1158-H1161 PolarHBondContact O-N 3.23Å; V1158-V1162 HydrophobicContact CG2-CG2 4.45Å; V1158-V1162 PolarHBondContact O-N 3.14Å; V1158-E1252 HydrophobicContact CG1-CB 3.74Å; V1158-E1252 HydrophobicContact CG1-CG 4.2Å; V1158-L1255 HydrophobicContact CG2-CD2 4.04Å; V1158-L1255 HydrophobicContact CG2-CG 4.24Å; V1158-M1256 HydrophobicContact CB-CB 4.12Å; V1158-M1256 HydrophobicContact CB-CG 4.45Å; V1158-M1256 HydrophobicContact CG1-CB 4.34Å |
| 1159 | G | 79.8 | Confident | 78.6 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 19% | 0.186 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.1 | -44.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1155 H1161 V1162 D1163 | M1155-G1159 WeakPolarHBondContact O-CA 3.44Å; M1155-G1159 PolarHBondContact O-N 3.44Å; G1159-H1161 PolarHBondContact O-N 2.9Å; G1159-V1162 WeakPolarHBondContact O-CB 3.43Å; G1159-V1162 PolarHBondContact O-N 3.5Å; G1159-D1163 PolarHBondContact O-N 3.3Å; G1159-D1163 VanDerWaalsContact O-N 3.15Å |
| 1160 | K | 75.6 | Confident | 78 | Confident | 166 Ų | 166 | 58.6 Ų | 58.6 | 72% | 0.722 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.4 | -33.9 | 175.9 | -66.3 | -175.5 | 178.6 | -176.8 | 0 | 112.9 | V1158 Y1164 | V1158-K1160 PolarHBondContact O-N 3.03Å; K1160-Y1164 PolarHBondContact O-N 3.44Å |
| 1161 | H | 80.4 | Confident | 76.8 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 19% | 0.185 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.5 | -34.8 | -179.7 | -63.3 | -53.8 | 0 | 0 | 0 | 112 | V1158 G1159 Y1164 L1165 M1256 T1400 P1403 | V1158-H1161 CarbonylContact O-C 3.56Å; V1158-H1161 WeakPolarHBondContact O-CA 3.23Å; V1158-H1161 VanDerWaalsContact O-CB 3.26Å; V1158-H1161 WeakPolarHBondContact O-CB 3.32Å; V1158-H1161 PolarHBondContact O-N 3.23Å; G1159-H1161 PolarHBondContact O-N 2.9Å; H1161-Y1164 PolarHBondContact O-N 3.46Å; H1161-L1165 PolarHBondContact O-N 3.44Å; H1161-M1256 HydrophobicContact CB-CG 4.37Å; H1161-M1256 HydrophobicContact CB-SD 3.57Å; H1161-M1256 VanDerWaalsContact CB-SD 3.57Å; H1161-T1400 WeakPolarHBondContact NE2-CG2 3.47Å; H1161-P1403 HydrophobicContact CB-CG 3.53Å |
| 1162 | V | 81.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 170.3 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | M1155 V1158 G1159 Y1164 L1165 K1166 M1256 E1259 A1260 | M1155-V1162 HydrophobicContact CE-CG2 4.48Å; V1158-V1162 HydrophobicContact CG2-CG2 4.45Å; V1158-V1162 PolarHBondContact O-N 3.14Å; G1159-V1162 WeakPolarHBondContact O-CB 3.43Å; G1159-V1162 PolarHBondContact O-N 3.5Å; V1162-Y1164 VanDerWaalsContact C-N 3.35Å; V1162-Y1164 PolarHBondContact O-N 3.08Å; V1162-L1165 PolarHBondContact O-N 3.07Å; V1162-K1166 HydrophobicContact CG1-CD 4.11Å; V1162-K1166 HydrophobicContact CG1-CG 4.5Å; V1162-K1166 WeakPolarHBondContact O-CG 3.39Å; V1162-K1166 PolarHBondContact O-N 2.88Å; V1162-M1256 HydrophobicContact CG2-CB 4.23Å; V1162-M1256 HydrophobicContact CG2-CG 3.78Å; V1162-E1259 HydrophobicContact CG1-CB 3.76Å; V1162-E1259 HydrophobicContact CG2-CB 3.87Å; V1162-A1260 HydrophobicContact CG1-CB 4.36Å |
| 1163 | D | 76.9 | Confident | 73.9 | Confident | 81 Ų | 81 | 59 Ų | 59 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | -179.6 | -68.5 | -24.8 | 0 | 0 | 0 | 111.7 | G1159 L1165 K1166 Q1167 | G1159-D1163 PolarHBondContact O-N 3.3Å; G1159-D1163 VanDerWaalsContact O-N 3.15Å; D1163-L1165 PolarHBondContact O-N 3.22Å; D1163-K1166 WeakPolarHBondContact O-CB 3.26Å; D1163-K1166 PolarHBondContact O-N 3.19Å; D1163-Q1167 WeakPolarHBondContact O-CG 3.2Å; D1163-Q1167 PolarHBondContact O-N 3.05Å |
| 1164 | Y | 75.7 | Confident | 72 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 174.5 | 175.4 | -97.2 | 0 | 0 | 0 | 112.3 | K1160 H1161 V1162 K1166 Q1167 V1168 P1403 R1407 | K1160-Y1164 PolarHBondContact O-N 3.44Å; H1161-Y1164 PolarHBondContact O-N 3.46Å; V1162-Y1164 VanDerWaalsContact C-N 3.35Å; V1162-Y1164 PolarHBondContact O-N 3.08Å; Y1164-K1166 VanDerWaalsContact C-N 3.34Å; Y1164-K1166 PolarHBondContact O-N 3.2Å; Y1164-Q1167 WeakPolarHBondContact O-CB 3.07Å; Y1164-Q1167 PolarHBondContact O-N 3.21Å; Y1164-V1168 HydrophobicContact CD1-CG2 4.26Å; Y1164-V1168 HydrophobicContact CE1-CG2 3.86Å; Y1164-V1168 HydrophobicContact CE2-CG2 4.37Å; Y1164-V1168 WeakPolarHBondContact O-CG2 3.46Å; Y1164-V1168 PolarHBondContact O-N 3.04Å; Y1164-P1403 HydrophobicContact CD1-CB 3.58Å; Y1164-P1403 HydrophobicContact CE1-CB 3.9Å; Y1164-R1407 PolarHBondContact OH-NH1 2.67Å |
| 1165 | L | 74.9 | Confident | 70 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 175.3 | -91.7 | 157.1 | 0 | 0 | 0 | 112 | H1161 V1162 D1163 Q1167 V1168 M1169 M1256 A1260 P1403 V1406 | H1161-L1165 PolarHBondContact O-N 3.44Å; V1162-L1165 PolarHBondContact O-N 3.07Å; D1163-L1165 PolarHBondContact O-N 3.22Å; L1165-Q1167 VanDerWaalsContact C-N 3.32Å; L1165-Q1167 PolarHBondContact O-N 3.06Å; L1165-V1168 PolarHBondContact O-N 3.38Å; L1165-M1169 WeakPolarHBondContact O-CB 3.36Å; L1165-M1169 VanDerWaalsContact O-CG 3.25Å; L1165-M1169 WeakPolarHBondContact O-CG 3.28Å; L1165-M1169 PolarHBondContact O-N 3Å; L1165-M1256 HydrophobicContact CD1-CE 3.5Å; L1165-M1256 HydrophobicContact CD1-CG 3.95Å; L1165-M1256 HydrophobicContact CD1-SD 3.78Å; L1165-A1260 HydrophobicContact CB-CB 3.73Å; L1165-A1260 HydrophobicContact CD1-CB 4.35Å; L1165-P1403 HydrophobicContact CD1-CB 4.04Å; L1165-P1403 HydrophobicContact CD1-CG 4.3Å; L1165-P1403 HydrophobicContact CG-CB 4.03Å; L1165-V1406 HydrophobicContact CD2-CB 4.05Å; L1165-V1406 HydrophobicContact CD2-CG1 3.66Å |
| 1166 | K | 78.9 | Confident | 68 | Low | 56 Ų | 56 | 64.6 Ų | 64.6 | 24% | 0.243 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 174.6 | -74.2 | 176.4 | 178.9 | 174.7 | 0 | 111.7 | V1162 D1163 Y1164 M1169 Q1170 E1259 F1264 | V1162-K1166 HydrophobicContact CG1-CD 4.11Å; V1162-K1166 HydrophobicContact CG1-CG 4.5Å; V1162-K1166 WeakPolarHBondContact O-CG 3.39Å; V1162-K1166 PolarHBondContact O-N 2.88Å; D1163-K1166 WeakPolarHBondContact O-CB 3.26Å; D1163-K1166 PolarHBondContact O-N 3.19Å; Y1164-K1166 VanDerWaalsContact C-N 3.34Å; Y1164-K1166 PolarHBondContact O-N 3.2Å; K1166-M1169 PolarHBondContact O-N 3.01Å; K1166-Q1170 WeakPolarHBondContact O-CG 3.13Å; K1166-Q1170 PolarHBondContact O-N 3.5Å; K1166-E1259 WeakPolarHBondContact CE-O 3.38Å; K1166-E1259 PolarHBondContact NZ-O 3.45Å; K1166-F1264 HydrophobicContact CB-CE2 4.43Å; K1166-F1264 HydrophobicContact CG-CE2 4.25Å |
| 1167 | Q | 67.1 | Low | 66.2 | Low | 97 Ų | 97 | 63.3 Ų | 63.3 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 174.6 | -72.9 | 178.9 | -26 | 0 | 0 | 112.5 | D1163 Y1164 L1165 M1169 Q1170 G1171 | D1163-Q1167 WeakPolarHBondContact O-CG 3.2Å; D1163-Q1167 PolarHBondContact O-N 3.05Å; Y1164-Q1167 WeakPolarHBondContact O-CB 3.07Å; Y1164-Q1167 PolarHBondContact O-N 3.21Å; L1165-Q1167 VanDerWaalsContact C-N 3.32Å; L1165-Q1167 PolarHBondContact O-N 3.06Å; Q1167-M1169 VanDerWaalsContact C-N 3.27Å; Q1167-M1169 PolarHBondContact O-N 3.17Å; Q1167-Q1170 PolarHBondContact O-N 3.46Å; Q1167-Q1170 VanDerWaalsContact O-N 3.17Å; Q1167-G1171 PolarHBondContact O-N 3.25Å |
| 1168 | V | 65.6 | Low | 64.7 | Low | 23 Ų | 23 | 63.3 Ų | 63.3 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.8 | -45.1 | 174.9 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | Y1164 L1165 Q1170 G1171 L1172 R1407 | Y1164-V1168 HydrophobicContact CD1-CG2 4.26Å; Y1164-V1168 HydrophobicContact CE1-CG2 3.86Å; Y1164-V1168 HydrophobicContact CE2-CG2 4.37Å; Y1164-V1168 WeakPolarHBondContact O-CG2 3.46Å; Y1164-V1168 PolarHBondContact O-N 3.04Å; L1165-V1168 PolarHBondContact O-N 3.38Å; V1168-Q1170 PolarHBondContact O-N 3.43Å; V1168-G1171 PolarHBondContact O-N 3.46Å; V1168-L1172 WeakPolarHBondContact O-CG 3.49Å; V1168-L1172 PolarHBondContact O-N 3.33Å; V1168-L1172 VanDerWaalsContact O-N 3.11Å; V1168-R1407 HydrophobicContact CG1-CB 4.23Å; V1168-R1407 HydrophobicContact CG1-CG 3.87Å; V1168-R1407 HydrophobicContact CG2-CG 4.37Å |
| 1169 | M | 68.1 | Low | 63.5 | Low | 14 Ų | 14 | 70.6 Ų | 70.6 | 7% | 0.069 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 177.3 | -70.8 | -53.8 | -61.4 | 0 | 0 | 112.8 | L1165 K1166 Q1167 L1172 Q1173 F1264 I1268 L1410 | L1165-M1169 WeakPolarHBondContact O-CB 3.36Å; L1165-M1169 VanDerWaalsContact O-CG 3.25Å; L1165-M1169 WeakPolarHBondContact O-CG 3.28Å; L1165-M1169 PolarHBondContact O-N 3Å; K1166-M1169 PolarHBondContact O-N 3.01Å; Q1167-M1169 VanDerWaalsContact C-N 3.27Å; Q1167-M1169 PolarHBondContact O-N 3.17Å; M1169-L1172 HydrophobicContact SD-CD1 4.31Å; M1169-Q1173 PolarHBondContact O-N 2.87Å; M1169-F1264 HydrophobicContact CB-CD1 4.38Å; M1169-F1264 HydrophobicContact CB-CD2 3.8Å; M1169-F1264 HydrophobicContact CB-CE1 4.03Å; M1169-F1264 HydrophobicContact CB-CE2 3.4Å; M1169-F1264 VanDerWaalsContact CB-CE2 3.4Å; M1169-F1264 HydrophobicContact CB-CG 4.28Å; M1169-F1264 HydrophobicContact CB-CZ 3.53Å; M1169-F1264 HydrophobicContact CE-CB 4.48Å; M1169-F1264 HydrophobicContact CE-CG 4.43Å; M1169-F1264 HydrophobicContact CG-CD2 4.07Å; M1169-F1264 HydrophobicContact CG-CE2 3.99Å; M1169-I1268 HydrophobicContact CE-CD1 3.36Å; M1169-I1268 HydrophobicContact CE-CG1 4.22Å; M1169-I1268 HydrophobicContact SD-CD1 4.37Å; M1169-L1410 HydrophobicContact SD-CD1 3.73Å |
| 1170 | Q | 65.5 | Low | 62.4 | Low | 115 Ų | 115 | 76.6 Ų | 76.6 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67 | -41.1 | 172.9 | -75.1 | 175.4 | -4 | 0 | 0 | 112.4 | K1166 Q1167 V1168 L1172 Q1173 A1174 F1264 | K1166-Q1170 WeakPolarHBondContact O-CG 3.13Å; K1166-Q1170 PolarHBondContact O-N 3.5Å; Q1167-Q1170 PolarHBondContact O-N 3.46Å; Q1167-Q1170 VanDerWaalsContact O-N 3.17Å; V1168-Q1170 PolarHBondContact O-N 3.43Å; Q1170-L1172 VanDerWaalsContact C-N 3.3Å; Q1170-L1172 PolarHBondContact O-N 3.32Å; Q1170-Q1173 WeakPolarHBondContact O-CA 3.26Å; Q1170-Q1173 VanDerWaalsContact O-CB 3.3Å; Q1170-Q1173 WeakPolarHBondContact O-CB 3.35Å; Q1170-Q1173 PolarHBondContact O-N 2.85Å; Q1170-A1174 PolarHBondContact O-N 2.88Å; Q1170-F1264 HydrophobicContact CG-CE1 4.21Å; Q1170-F1264 HydrophobicContact CG-CZ 4.02Å |
| 1171 | G | 56.9 | Low | 61.8 | Low | 40 Ų | 40 | 72 Ų | 72 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1167 V1168 Q1173 A1174 | Q1167-G1171 PolarHBondContact O-N 3.25Å; V1168-G1171 PolarHBondContact O-N 3.46Å; G1171-Q1173 PolarHBondContact O-N 3.3Å; G1171-A1174 PolarHBondContact O-N 3.46Å |
| 1172 | L | 54.7 | Low | 61 | Low | 53 Ų | 53 | 72 Ų | 72 | 28% | 0.277 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.1 | -29.2 | 172.1 | -71.4 | 174.1 | 0 | 0 | 0 | 112.7 | V1168 M1169 Q1170 T1411 I1414 | V1168-L1172 WeakPolarHBondContact O-CG 3.49Å; V1168-L1172 PolarHBondContact O-N 3.33Å; V1168-L1172 VanDerWaalsContact O-N 3.11Å; M1169-L1172 HydrophobicContact SD-CD1 4.31Å; Q1170-L1172 VanDerWaalsContact C-N 3.3Å; Q1170-L1172 PolarHBondContact O-N 3.32Å; L1172-T1411 HydrophobicContact CD2-CG2 4.31Å; L1172-I1414 HydrophobicContact CD2-CD1 3.57Å |
| 1173 | Q | 50.7 | Low | 60.3 | Low | 65 Ų | 65 | 75.1 Ų | 75.1 | 30% | 0.304 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.6 | -31 | 174.4 | -63.9 | -174.5 | -16.3 | 0 | 0 | 113.3 | M1169 Q1170 G1171 G1176 | M1169-Q1173 PolarHBondContact O-N 2.87Å; Q1170-Q1173 WeakPolarHBondContact O-CA 3.26Å; Q1170-Q1173 VanDerWaalsContact O-CB 3.3Å; Q1170-Q1173 WeakPolarHBondContact O-CB 3.35Å; Q1170-Q1173 PolarHBondContact O-N 2.85Å; G1171-Q1173 PolarHBondContact O-N 3.3Å; Q1173-G1176 PolarHBondContact O-N 2.75Å |
| 1174 | A | 45 | Very low | 59.9 | Low | 68 Ų | 68 | 72.5 Ų | 72.5 | 56% | 0.562 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -70.1 | -35.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1170 G1171 G1176 K1177 | Q1170-A1174 PolarHBondContact O-N 2.88Å; G1171-A1174 PolarHBondContact O-N 3.46Å; A1174-G1176 PolarHBondContact O-N 3.1Å; A1174-K1177 PolarHBondContact O-N 3.48Å; A1174-K1177 VanDerWaalsContact O-N 3.14Å |
| 1175 | R | 41.4 | Very low | 59.7 | Low | 116 Ų | 116 | 71.9 Ų | 71.9 | 44% | 0.438 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.4 | -35.4 | 176 | -82.9 | -170.3 | 175.8 | 178.2 | 1.5 | 112.8 | K1177 E1178 D1415 | R1175-K1177 PolarHBondContact O-N 3.4Å; R1175-E1178 PolarHBondContact O-N 3.37Å; R1175-D1415 IonicContact NH1-OD1 3.95Å; R1175-D1415 PolarHBondContact NH1-OD1 3.3Å |
| 1176 | G | 42.9 | Very low | 59.7 | Low | 64 Ų | 64 | 75.9 Ų | 75.9 | 66% | 0.66 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -8.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1173 A1174 | Q1173-G1176 PolarHBondContact O-N 2.75Å; A1174-G1176 PolarHBondContact O-N 3.1Å |
| 1177 | K | 44.3 | Very low | 59.7 | Low | 141 Ų | 141 | 75.1 Ų | 75.1 | 61% | 0.613 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 18.2 | -179.9 | -65.7 | -172.7 | 177.6 | -177.7 | 0 | 113.1 | A1174 R1175 R1179 | A1174-K1177 PolarHBondContact O-N 3.48Å; A1174-K1177 VanDerWaalsContact O-N 3.14Å; R1175-K1177 PolarHBondContact O-N 3.4Å; K1177-R1179 PolarHBondContact O-N 2.97Å |
| 1178 | E | 49.6 | Very low | 60.4 | Low | 109 Ų | 109 | 72.2 Ų | 72.2 | 51% | 0.509 | 38% | 0.377 | S | S | . | . | trans | -69.1 | 130.1 | -179.7 | -163.8 | 163.4 | -153 | 0 | 0 | 110.9 | R755 R1175 | R755-E1178 IonicContact NH1-OE1 3.79Å; R755-E1178 PolarHBondContact NH1-OE1 2.9Å; R1175-E1178 PolarHBondContact O-N 3.37Å | ||
| 1179 | R | 57.3 | Low | 61 | Low | 154 Ų | 154 | 75.7 Ų | 75.7 | 58% | 0.581 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 128.2 | 178.8 | -68 | 179 | -177.3 | 178.7 | 0 | 109.2 | K1177 R1209 L1210 E1211 | K1177-R1179 PolarHBondContact O-N 2.97Å; R1179-R1209 HydrophobicContact CB-CB 4.39Å; R1179-L1210 WeakPolarHBondContact CA-O 3.48Å; R1179-E1211 HydrophobicContact CG-CB 4.49Å; R1179-E1211 HydrophobicContact CG-CG 3.51Å; R1179-E1211 IonicContact CZ-OE1 3.15Å; R1179-E1211 IonicContact NE-OE1 3.86Å; R1179-E1211 PolarHBondContact NE-OE1 3.47Å; R1179-E1211 VanDerWaalsContact NE-OE1 3.12Å; R1179-E1211 IonicContact NH2-OE1 3.75Å; R1179-E1211 PolarHBondContact NH2-OE1 2.8Å |
| 1180 | R | 57.1 | Low | 61.5 | Low | 144 Ų | 144 | 79 Ų | 79 | 54% | 0.543 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 155 | 173.9 | -71.5 | -174.5 | 177.4 | -171.3 | -1.2 | 110.5 | V1182 R1209 L1210 | R1180-V1182 PolarHBondContact O-N 3.08Å; R1180-R1209 WeakPolarHBondContact O-CA 3.41Å; R1180-L1210 PolarHBondContact N-O 3.34Å; R1180-L1210 PolarHBondContact O-N 2.86Å; R1180-L1210 VanDerWaalsContact O-N 3.11Å |
| 1181 | W | 63.8 | Low | 61.9 | Low | 68 Ų | 68 | 73.6 Ų | 73.6 | 26% | 0.258 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 111.2 | 168.6 | -74.8 | 108.1 | 0 | 0 | 0 | 109.2 | D756 D1189 R1207 R1208 R1209 | D756-W1181 PolarHBondContact OD1-NE1 3.17Å; W1181-D1189 HydrophobicContact CH2-CB 4.08Å; W1181-D1189 WeakPolarHBondContact CH2-OD2 3.04Å; W1181-D1189 HydrophobicContact CZ3-CB 4.08Å; W1181-R1207 HydrophobicContact CD2-CG 4.33Å; W1181-R1207 HydrophobicContact CE3-CB 3.75Å; W1181-R1207 HydrophobicContact CE3-CG 3.54Å; W1181-R1207 HydrophobicContact CZ3-CB 4.26Å; W1181-R1207 HydrophobicContact CZ3-CG 3.72Å; W1181-R1207 WeakPolarHBondContact CZ3-O 3.45Å; W1181-R1208 WeakPolarHBondContact CA-O 3.49Å; W1181-R1209 HydrophobicContact CD2-CG 3.82Å; W1181-R1209 HydrophobicContact CE3-CG 3.9Å; W1181-R1209 HydrophobicContact CH2-CG 3.78Å; W1181-R1209 HydrophobicContact CZ2-CG 3.72Å; W1181-R1209 VanDerWaalsContact CZ2-NE 3.3Å; W1181-R1209 HydrophobicContact CZ3-CG 3.88Å |
| 1182 | V | 63.1 | Low | 62.4 | Low | 41 Ų | 41 | 76.4 Ų | 76.4 | 25% | 0.248 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 118.1 | 165.9 | -172.4 | 0 | 0 | 0 | 0 | 106.7 | R1180 Q1185 R1207 R1208 L1210 | R1180-V1182 PolarHBondContact O-N 3.08Å; V1182-Q1185 WeakPolarHBondContact O-CG 3.47Å; V1182-R1207 CarbonylContact O-C 3.58Å; V1182-R1207 VanDerWaalsContact O-CA 3.26Å; V1182-R1207 WeakPolarHBondContact O-CA 3.21Å; V1182-R1208 PolarHBondContact N-O 3.4Å; V1182-R1208 PolarHBondContact O-N 2.92Å; V1182-L1210 HydrophobicContact CB-CD1 4.28Å; V1182-L1210 HydrophobicContact CG2-CB 3.99Å; V1182-L1210 HydrophobicContact CG2-CD1 4.12Å; V1182-L1210 HydrophobicContact CG2-CG 4.42Å |
| 1183 | R | 67 | Low | 62.9 | Low | 65 Ų | 65 | 74.9 Ų | 74.9 | 25% | 0.245 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -175.7 | 177.8 | -60.7 | -171.3 | -174 | -156.4 | 13.7 | 110.8 | Q1185 D1191 R1207 | R1183-Q1185 PolarHBondContact O-N 3.26Å; R1183-Q1185 PolarHBondContact O-NE2 3.33Å; R1183-D1191 WeakPolarHBondContact CD-OD2 3.11Å; R1183-D1191 IonicContact NH1-OD1 3.42Å; R1183-D1191 IonicContact NH1-OD2 3.43Å; R1183-R1207 HydrophobicContact CG-CB 4.3Å |
| 1184 | H | 67.6 | Low | 63.9 | Low | 27 Ų | 27 | 72.5 Ų | 72.5 | 13% | 0.125 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.4 | 27.9 | 178.1 | -52.8 | -57.4 | 0 | 0 | 0 | 114.2 | D75 N414 K1194 N1204 Y1206 | D75-H1184 IonicContact OD1-CD2 3.42Å; D75-H1184 IonicContact OD1-CE1 3.91Å; D75-H1184 IonicContact OD1-NE2 3.76Å; D75-H1184 PolarHBondContact OD1-NE2 3.13Å; N414-H1184 PolarHBondContact ND2-CE1 2.77Å; H1184-K1194 PolarHBondContact CE1-NZ 3.36Å; H1184-K1194 VanDerWaalsContact ND1-CE 3.28Å; H1184-K1194 WeakPolarHBondContact ND1-CE 3.34Å; H1184-K1194 PolarHBondContact ND1-NZ 3.1Å; H1184-N1204 HydrophobicContact CB-CB 4.45Å; H1184-Y1206 PolarHBondContact N-O 3.4Å |
| 1185 | Q | 73.2 | Confident | 65.2 | Low | 45 Ų | 45 | 70.4 Ų | 70.4 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 148.7 | 178.5 | -57 | -59.3 | -62 | 0 | 0 | 110.3 | V1182 R1183 S1187 N1204 V1205 Y1206 R1208 | V1182-Q1185 WeakPolarHBondContact O-CG 3.47Å; R1183-Q1185 PolarHBondContact O-N 3.26Å; R1183-Q1185 PolarHBondContact O-NE2 3.33Å; Q1185-S1187 WeakPolarHBondContact CB-O 3.08Å; Q1185-S1187 PolarHBondContact O-N 2.92Å; Q1185-N1204 CarbonylContact O-C 3.51Å; Q1185-N1204 WeakPolarHBondContact O-CA 3.49Å; Q1185-V1205 PolarHBondContact O-N 3.44Å; Q1185-Y1206 WeakPolarHBondContact CB-O 3.49Å; Q1185-Y1206 PolarHBondContact N-O 2.96Å; Q1185-Y1206 WeakPolarHBondContact O-CB 3.2Å; Q1185-Y1206 PolarHBondContact O-N 3.2Å; Q1185-R1208 HydrophobicContact CB-CG 4.39Å; Q1185-R1208 HydrophobicContact CG-CB 4.21Å; Q1185-R1208 HydrophobicContact CG-CG 4.26Å |
| 1186 | T | 74 | Confident | 66.7 | Low | 89 Ų | 89 | 65.6 Ų | 65.6 | 55% | 0.546 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -76.2 | -9.4 | 173.8 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | N1204 Y1206 | T1186-N1204 WeakPolarHBondContact CG2-OD1 3.12Å; T1186-Y1206 WeakPolarHBondContact O-CD2 3.49Å |
| 1187 | S | 78.8 | Confident | 68.3 | Low | 40 Ų | 40 | 63.6 Ų | 63.6 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -159.4 | 152.8 | -177 | 43.1 | 0 | 0 | 0 | 0 | 109.9 | Q1185 Y1206 R1208 | Q1185-S1187 WeakPolarHBondContact CB-O 3.08Å; Q1185-S1187 PolarHBondContact O-N 2.92Å; S1187-Y1206 VanDerWaalsContact C-CB 3.45Å; S1187-R1208 WeakPolarHBondContact O-CD 3.49Å; S1187-R1208 WeakPolarHBondContact O-CG 3.4Å; S1187-R1208 PolarHBondContact O-NE 2.74Å; S1187-R1208 PolarHBondContact OG-NH1 2.94Å; S1187-R1208 PolarHBondContact OG-NH2 3.42Å |
| 1188 | G | 81.9 | Confident | 69.9 | Low | 35 Ų | 35 | 57.9 Ų | 57.9 | 36% | 0.361 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 137 | -153.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1206 R1207 | G1188-Y1206 WeakPolarHBondContact O-CD1 3.13Å; G1188-R1207 CarbonylContact C-O 3.58Å; G1188-R1207 WeakPolarHBondContact CA-O 3.45Å |
| 1189 | D | 78.2 | Confident | 71.1 | Confident | 97 Ų | 97 | 56 Ų | 56 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 140.2 | 171.7 | -71.5 | 0.1 | 0 | 0 | 0 | 108.9 | W1181 D1191 Y1206 R1207 | W1181-D1189 HydrophobicContact CH2-CB 4.08Å; W1181-D1189 WeakPolarHBondContact CH2-OD2 3.04Å; W1181-D1189 HydrophobicContact CZ3-CB 4.08Å; D1189-D1191 PolarHBondContact O-N 2.76Å; D1189-Y1206 CarbonylContact O-C 3.49Å; D1189-Y1206 VanDerWaalsContact O-CA 3.23Å; D1189-Y1206 WeakPolarHBondContact O-CA 3.39Å; D1189-R1207 HydrophobicContact CB-CG 4.28Å; D1189-R1207 PolarHBondContact N-O 2.94Å; D1189-R1207 WeakPolarHBondContact O-CG 3.35Å; D1189-R1207 PolarHBondContact O-N 3.29Å |
| 1190 | F | 77.9 | Confident | 72.1 | Confident | 82 Ų | 82 | 49 Ų | 49 | 36% | 0.36 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 131 | -179.9 | -170.1 | -105.2 | 0 | 0 | 0 | 110.4 | E1192 V1195 V1205 Y1206 | F1190-E1192 PolarHBondContact O-N 2.64Å; F1190-V1195 HydrophobicContact CE1-CB 4.18Å; F1190-V1195 HydrophobicContact CE1-CG2 3.62Å; F1190-V1195 HydrophobicContact CZ-CG2 4.45Å; F1190-V1205 HydrophobicContact CD2-CG2 4.12Å; F1190-V1205 HydrophobicContact CE2-CB 4.04Å; F1190-V1205 HydrophobicContact CE2-CG2 3.69Å; F1190-Y1206 HydrophobicContact CB-CD1 4.4Å; F1190-Y1206 HydrophobicContact CB-CE1 4.42Å; F1190-Y1206 HydrophobicContact CD2-CD1 4.39Å; F1190-Y1206 HydrophobicContact CD2-CE1 4.06Å |
| 1191 | D | 73.8 | Confident | 72.9 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | trans | -82.1 | 106.8 | 175.8 | -168.1 | 1.2 | 0 | 0 | 0 | 108.7 | R1183 D1189 G1193 K1194 V1205 R1207 | R1183-D1191 WeakPolarHBondContact CD-OD2 3.11Å; R1183-D1191 IonicContact NH1-OD1 3.42Å; R1183-D1191 IonicContact NH1-OD2 3.43Å; D1189-D1191 PolarHBondContact O-N 2.76Å; D1191-G1193 PolarHBondContact O-N 3.38Å; D1191-G1193 VanDerWaalsContact O-N 3.09Å; D1191-G1193 PolarHBondContact OD1-N 3.33Å; D1191-K1194 HydrophobicContact CB-CB 4.29Å; D1191-K1194 HydrophobicContact CB-CG 4.43Å; D1191-K1194 WeakPolarHBondContact O-CA 3.29Å; D1191-K1194 PolarHBondContact O-N 2.91Å; D1191-V1205 WeakPolarHBondContact CB-O 3.26Å; D1191-V1205 PolarHBondContact N-O 3.31Å; D1191-R1207 HydrophobicContact CB-CG 4.48Å; D1191-R1207 IonicContact OD1-NH1 2.88Å | ||
| 1192 | E | 67.5 | Low | 73.6 | Confident | 98 Ų | 98 | 41.1 Ų | 41.1 | 46% | 0.458 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -55.4 | -27 | 178.6 | -67.8 | 170.9 | -167.2 | 0 | 0 | 112.6 | F1190 K1194 V1195 | F1190-E1192 PolarHBondContact O-N 2.64Å; E1192-K1194 PolarHBondContact O-N 3.47Å; E1192-V1195 WeakPolarHBondContact O-CG2 3.24Å; E1192-V1195 PolarHBondContact O-N 3.03Å |
| 1193 | G | 65.1 | Low | 74.1 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 22% | 0.216 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -70.2 | -11.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q760 D1191 | Q760-G1193 VanDerWaalsContact CD-CA 3.45Å; Q760-G1193 VanDerWaalsContact NE2-CA 3.33Å; D1191-G1193 PolarHBondContact O-N 3.38Å; D1191-G1193 VanDerWaalsContact O-N 3.09Å; D1191-G1193 PolarHBondContact OD1-N 3.33Å |
| 1194 | K | 71.7 | Confident | 74.5 | Confident | 16 Ų | 16 | 44 Ų | 44 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -117.3 | 23.7 | -177.5 | -69.3 | -168.5 | 165.9 | -147.7 | 0 | 113.3 | H1184 D1191 E1192 V1196 E1197 G1198 N1204 V1205 | H1184-K1194 PolarHBondContact CE1-NZ 3.36Å; H1184-K1194 VanDerWaalsContact ND1-CE 3.28Å; H1184-K1194 WeakPolarHBondContact ND1-CE 3.34Å; H1184-K1194 PolarHBondContact ND1-NZ 3.1Å; D1191-K1194 HydrophobicContact CB-CB 4.29Å; D1191-K1194 HydrophobicContact CB-CG 4.43Å; D1191-K1194 WeakPolarHBondContact O-CA 3.29Å; D1191-K1194 PolarHBondContact O-N 2.91Å; E1192-K1194 PolarHBondContact O-N 3.47Å; K1194-V1196 VanDerWaalsContact C-N 3.27Å; K1194-V1196 PolarHBondContact O-N 3.47Å; K1194-E1197 VanDerWaalsContact CA-OE2 3.23Å; K1194-E1197 WeakPolarHBondContact CA-OE2 3.37Å; K1194-E1197 HydrophobicContact CB-CB 4.15Å; K1194-E1197 PolarHBondContact O-N 3.37Å; K1194-G1198 PolarHBondContact O-N 3.02Å; K1194-N1204 WeakPolarHBondContact CD-O 3.39Å; K1194-N1204 PolarHBondContact NZ-O 3.02Å; K1194-V1205 HydrophobicContact CB-CB 4.11Å; K1194-V1205 HydrophobicContact CB-CG1 4.09Å; K1194-V1205 HydrophobicContact CD-CB 4.5Å; K1194-V1205 HydrophobicContact CD-CG1 4.34Å |
| 1195 | V | 72.6 | Confident | 74.9 | Confident | 23 Ų | 23 | 42.9 Ų | 42.9 | 14% | 0.139 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.1 | -45.5 | 177.9 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | L773 F1190 E1192 G1198 I1199 | L773-V1195 HydrophobicContact CD1-CG1 3.9Å; L773-V1195 HydrophobicContact CD2-CG1 3.84Å; F1190-V1195 HydrophobicContact CE1-CB 4.18Å; F1190-V1195 HydrophobicContact CE1-CG2 3.62Å; F1190-V1195 HydrophobicContact CZ-CG2 4.45Å; E1192-V1195 WeakPolarHBondContact O-CG2 3.24Å; E1192-V1195 PolarHBondContact O-N 3.03Å; V1195-G1198 PolarHBondContact O-N 3.02Å; V1195-I1199 HydrophobicContact CG1-CD1 3.86Å; V1195-I1199 VanDerWaalsContact O-CG1 3.31Å; V1195-I1199 WeakPolarHBondContact O-CG1 3.49Å; V1195-I1199 PolarHBondContact O-N 3.37Å |
| 1196 | V | 74 | Confident | 75.3 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.8 | -41.4 | -178.5 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | R422 M424 T430 K1194 G1198 I1199 T1200 | R422-V1196 HydrophobicContact CB-CG1 4.44Å; R422-V1196 HydrophobicContact CG-CG1 3.93Å; M424-V1196 HydrophobicContact CG-CG1 3.96Å; M424-V1196 HydrophobicContact CG-CG2 4.17Å; M424-V1196 HydrophobicContact SD-CG1 4.49Å; M424-V1196 HydrophobicContact SD-CG2 4.4Å; T430-V1196 HydrophobicContact CG2-CG1 4.34Å; K1194-V1196 VanDerWaalsContact C-N 3.27Å; K1194-V1196 PolarHBondContact O-N 3.47Å; V1196-G1198 VanDerWaalsContact C-N 3.34Å; V1196-I1199 PolarHBondContact O-N 2.86Å; V1196-T1200 WeakPolarHBondContact O-CB 3.36Å; V1196-T1200 WeakPolarHBondContact O-CG2 3.38Å; V1196-T1200 PolarHBondContact O-N 3.11Å; V1196-T1200 PolarHBondContact O-OG1 3.47Å |
| 1197 | E | 76.3 | Confident | 75.4 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 173.1 | -72.2 | 81.4 | 173.7 | 0 | 0 | 111.5 | R416 K1194 T1200 G1201 E1202 V1205 | R416-E1197 IonicContact NH1-OE1 3.52Å; K1194-E1197 VanDerWaalsContact CA-OE2 3.23Å; K1194-E1197 WeakPolarHBondContact CA-OE2 3.37Å; K1194-E1197 HydrophobicContact CB-CB 4.15Å; K1194-E1197 PolarHBondContact O-N 3.37Å; E1197-T1200 VanDerWaalsContact CA-OG1 3.27Å; E1197-T1200 WeakPolarHBondContact CA-OG1 3.47Å; E1197-T1200 CarbonylContact O-C 3.34Å; E1197-T1200 PolarHBondContact O-N 3.05Å; E1197-T1200 PolarHBondContact O-OG1 2.96Å; E1197-G1201 PolarHBondContact O-N 2.89Å; E1197-E1202 HydrophobicContact CB-CB 4.13Å; E1197-E1202 HydrophobicContact CB-CG 4.21Å; E1197-E1202 PolarHBondContact O-N 3.18Å; E1197-V1205 HydrophobicContact CB-CG1 3.92Å |
| 1198 | G | 76.9 | Confident | 75.2 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1194 V1195 V1196 T1200 G1201 | K1194-G1198 PolarHBondContact O-N 3.02Å; V1195-G1198 PolarHBondContact O-N 3.02Å; V1196-G1198 VanDerWaalsContact C-N 3.34Å; G1198-T1200 VanDerWaalsContact C-N 3.28Å; G1198-T1200 PolarHBondContact O-N 2.9Å; G1198-G1201 PolarHBondContact O-N 3.47Å |
| 1199 | I | 76.4 | Confident | 74.6 | Confident | 70 Ų | 70 | 49.6 Ų | 49.6 | 36% | 0.359 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.1 | -36.6 | 175.3 | -66.8 | 167.7 | 0 | 0 | 0 | 110.8 | R85 I87 M424 L773 V1195 V1196 G1201 | R85-I1199 PolarHBondContact NH2-O 3.45Å; I87-I1199 HydrophobicContact CD1-CG2 3.68Å; M424-I1199 HydrophobicContact SD-CD1 3.92Å; M424-I1199 HydrophobicContact SD-CG2 4.44Å; L773-I1199 HydrophobicContact CD1-CD1 3.57Å; V1195-I1199 HydrophobicContact CG1-CD1 3.86Å; V1195-I1199 VanDerWaalsContact O-CG1 3.31Å; V1195-I1199 WeakPolarHBondContact O-CG1 3.49Å; V1195-I1199 PolarHBondContact O-N 3.37Å; V1196-I1199 PolarHBondContact O-N 2.86Å; I1199-G1201 PolarHBondContact O-N 3.32Å |
| 1200 | T | 76.5 | Confident | 73.8 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 1.3 | 174 | 53 | 0 | 0 | 0 | 0 | 113.9 | R85 I87 R422 T430 V1196 E1197 G1198 | R85-T1200 WeakPolarHBondContact CB-O 3.14Å; R85-T1200 VanDerWaalsContact CZ-C 3.47Å; R85-T1200 PolarHBondContact NE-O 3.15Å; R85-T1200 PolarHBondContact NH2-O 2.96Å; I87-T1200 HydrophobicContact CD1-CG2 4.19Å; I87-T1200 HydrophobicContact CG1-CG2 4.35Å; R422-T1200 PolarHBondContact NH1-OG1 3.22Å; T430-T1200 HydrophobicContact CG2-CG2 3.56Å; V1196-T1200 WeakPolarHBondContact O-CB 3.36Å; V1196-T1200 WeakPolarHBondContact O-CG2 3.38Å; V1196-T1200 PolarHBondContact O-N 3.11Å; V1196-T1200 PolarHBondContact O-OG1 3.47Å; E1197-T1200 VanDerWaalsContact CA-OG1 3.27Å; E1197-T1200 WeakPolarHBondContact CA-OG1 3.47Å; E1197-T1200 CarbonylContact O-C 3.34Å; E1197-T1200 PolarHBondContact O-N 3.05Å; E1197-T1200 PolarHBondContact O-OG1 2.96Å; G1198-T1200 VanDerWaalsContact C-N 3.28Å; G1198-T1200 PolarHBondContact O-N 2.9Å |
| 1201 | G | 75.4 | Confident | 72.9 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 12 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R85 E1197 G1198 I1199 | R85-G1201 VanDerWaalsContact NH2-CA 3.26Å; E1197-G1201 PolarHBondContact O-N 2.89Å; G1198-G1201 PolarHBondContact O-N 3.47Å; I1199-G1201 PolarHBondContact O-N 3.32Å |
| 1202 | E | 77 | Confident | 71.6 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | trans | -67.8 | 139.4 | 172.1 | -65.5 | -166.4 | -174.8 | 0 | 0 | 110.9 | R416 R422 E1197 V1205 | R416-E1202 IonicContact CZ-OE1 3.14Å; R416-E1202 IonicContact NH1-OE1 2.73Å; R416-E1202 PolarHBondContact NH1-OE1 3.48Å; R416-E1202 IonicContact NH1-OE2 2.95Å; R416-E1202 PolarHBondContact NH1-OE2 3.42Å; R416-E1202 IonicContact NH2-OE1 2.64Å; R416-E1202 PolarHBondContact NH2-OE1 3.24Å; R416-E1202 IonicContact NH2-OE2 3.3Å; R422-E1202 IonicContact NH1-OE1 2.76Å; E1197-E1202 HydrophobicContact CB-CB 4.13Å; E1197-E1202 HydrophobicContact CB-CG 4.21Å; E1197-E1202 PolarHBondContact O-N 3.18Å; E1202-V1205 HydrophobicContact CB-CG1 3.96Å; E1202-V1205 VanDerWaalsContact O-CG1 3.29Å; E1202-V1205 WeakPolarHBondContact O-CG1 3.5Å | ||
| 1203 | H | 74.4 | Confident | 70.3 | Confident | 138 Ų | 138 | 58.8 Ų | 58.8 | 64% | 0.639 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -86.2 | -27.8 | -179 | -63.9 | -60.1 | 0 | 0 | 0 | 113.5 | V1205 | H1203-V1205 PolarHBondContact O-N 3.4Š|
| 1204 | N | 75.6 | Confident | 69.2 | Low | 28 Ų | 28 | 60.5 Ų | 60.5 | 15% | 0.15 | 28% | 0.282 | C | S | . | . | trans | -85.1 | 49.3 | -175.9 | -67 | -8.6 | 0 | 0 | 0 | 112.1 | H1184 Q1185 T1186 K1194 | H1184-N1204 HydrophobicContact CB-CB 4.45Å; Q1185-N1204 CarbonylContact O-C 3.51Å; Q1185-N1204 WeakPolarHBondContact O-CA 3.49Å; T1186-N1204 WeakPolarHBondContact CG2-OD1 3.12Å; K1194-N1204 WeakPolarHBondContact CD-O 3.39Å; K1194-N1204 PolarHBondContact NZ-O 3.02Å | ||
| 1205 | V | 76.3 | Confident | 67.4 | Low | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | trans | -108.3 | 8.6 | -173.6 | -61.1 | 0 | 0 | 0 | 0 | 113.1 | Q1185 F1190 D1191 K1194 E1197 E1202 H1203 | Q1185-V1205 PolarHBondContact O-N 3.44Å; F1190-V1205 HydrophobicContact CD2-CG2 4.12Å; F1190-V1205 HydrophobicContact CE2-CB 4.04Å; F1190-V1205 HydrophobicContact CE2-CG2 3.69Å; D1191-V1205 WeakPolarHBondContact CB-O 3.26Å; D1191-V1205 PolarHBondContact N-O 3.31Å; K1194-V1205 HydrophobicContact CB-CB 4.11Å; K1194-V1205 HydrophobicContact CB-CG1 4.09Å; K1194-V1205 HydrophobicContact CD-CB 4.5Å; K1194-V1205 HydrophobicContact CD-CG1 4.34Å; E1197-V1205 HydrophobicContact CB-CG1 3.92Å; E1202-V1205 HydrophobicContact CB-CG1 3.96Å; E1202-V1205 VanDerWaalsContact O-CG1 3.29Å; E1202-V1205 WeakPolarHBondContact O-CG1 3.5Å; H1203-V1205 PolarHBondContact O-N 3.4Å | ||
| 1206 | Y | 80.7 | Confident | 65.7 | Low | 83 Ų | 83 | 69 Ų | 69 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 161.8 | 178.3 | -57 | -89.4 | 0 | 0 | 0 | 111.6 | H1184 Q1185 T1186 S1187 G1188 D1189 F1190 | H1184-Y1206 PolarHBondContact N-O 3.4Å; Q1185-Y1206 WeakPolarHBondContact CB-O 3.49Å; Q1185-Y1206 PolarHBondContact N-O 2.96Å; Q1185-Y1206 WeakPolarHBondContact O-CB 3.2Å; Q1185-Y1206 PolarHBondContact O-N 3.2Å; T1186-Y1206 WeakPolarHBondContact O-CD2 3.49Å; S1187-Y1206 VanDerWaalsContact C-CB 3.45Å; G1188-Y1206 WeakPolarHBondContact O-CD1 3.13Å; D1189-Y1206 CarbonylContact O-C 3.49Å; D1189-Y1206 VanDerWaalsContact O-CA 3.23Å; D1189-Y1206 WeakPolarHBondContact O-CA 3.39Å; F1190-Y1206 HydrophobicContact CB-CD1 4.4Å; F1190-Y1206 HydrophobicContact CB-CE1 4.42Å; F1190-Y1206 HydrophobicContact CD2-CD1 4.39Å; F1190-Y1206 HydrophobicContact CD2-CE1 4.06Å |
| 1207 | R | 77 | Confident | 63.7 | Low | 34 Ų | 34 | 73.2 Ų | 73.2 | 13% | 0.128 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 145.6 | 172.5 | 57 | 177.5 | -175.7 | -157.7 | 1.9 | 109.8 | W1181 V1182 R1183 G1188 D1189 D1191 | W1181-R1207 HydrophobicContact CD2-CG 4.33Å; W1181-R1207 HydrophobicContact CE3-CB 3.75Å; W1181-R1207 HydrophobicContact CE3-CG 3.54Å; W1181-R1207 HydrophobicContact CZ3-CB 4.26Å; W1181-R1207 HydrophobicContact CZ3-CG 3.72Å; W1181-R1207 WeakPolarHBondContact CZ3-O 3.45Å; V1182-R1207 CarbonylContact O-C 3.58Å; V1182-R1207 VanDerWaalsContact O-CA 3.26Å; V1182-R1207 WeakPolarHBondContact O-CA 3.21Å; R1183-R1207 HydrophobicContact CG-CB 4.3Å; G1188-R1207 CarbonylContact C-O 3.58Å; G1188-R1207 WeakPolarHBondContact CA-O 3.45Å; D1189-R1207 HydrophobicContact CB-CG 4.28Å; D1189-R1207 PolarHBondContact N-O 2.94Å; D1189-R1207 WeakPolarHBondContact O-CG 3.35Å; D1189-R1207 PolarHBondContact O-N 3.29Å; D1191-R1207 HydrophobicContact CB-CG 4.48Å; D1191-R1207 IonicContact OD1-NH1 2.88Å |
| 1208 | R | 74.9 | Confident | 61.9 | Low | 105 Ų | 105 | 74.7 Ų | 74.7 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.6 | 176.9 | -75.9 | -178.4 | 160.7 | 168 | -1.6 | 111.4 | W1181 V1182 Q1185 S1187 L1210 | W1181-R1208 WeakPolarHBondContact CA-O 3.49Å; V1182-R1208 PolarHBondContact N-O 3.4Å; V1182-R1208 PolarHBondContact O-N 2.92Å; Q1185-R1208 HydrophobicContact CB-CG 4.39Å; Q1185-R1208 HydrophobicContact CG-CB 4.21Å; Q1185-R1208 HydrophobicContact CG-CG 4.26Å; S1187-R1208 WeakPolarHBondContact O-CD 3.49Å; S1187-R1208 WeakPolarHBondContact O-CG 3.4Å; S1187-R1208 PolarHBondContact O-NE 2.74Å; S1187-R1208 PolarHBondContact OG-NH1 2.94Å; S1187-R1208 PolarHBondContact OG-NH2 3.42Å; R1208-L1210 HydrophobicContact CB-CG 4.13Å; R1208-L1210 PolarHBondContact O-N 2.9Å |
| 1209 | R | 69 | Low | 60 | Low | 128 Ų | 128 | 80.1 Ų | 80.1 | 48% | 0.483 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 102.1 | 165.5 | -76.8 | -177.9 | 169.8 | 175.3 | -3.1 | 109.4 | D756 R1179 R1180 W1181 | D756-R1209 IonicContact OD1-CZ 3.16Å; D756-R1209 IonicContact OD1-NE 3.44Å; D756-R1209 IonicContact OD1-NH2 2.87Å; D756-R1209 PolarHBondContact OD1-NH2 2.91Å; D756-R1209 IonicContact OD2-CZ 3.66Å; D756-R1209 IonicContact OD2-NH2 3.88Å; D756-R1209 PolarHBondContact OD2-NH2 3.04Å; R1179-R1209 HydrophobicContact CB-CB 4.39Å; R1180-R1209 WeakPolarHBondContact O-CA 3.41Å; W1181-R1209 HydrophobicContact CD2-CG 3.82Å; W1181-R1209 HydrophobicContact CE3-CG 3.9Å; W1181-R1209 HydrophobicContact CH2-CG 3.78Å; W1181-R1209 HydrophobicContact CZ2-CG 3.72Å; W1181-R1209 VanDerWaalsContact CZ2-NE 3.3Å; W1181-R1209 HydrophobicContact CZ3-CG 3.88Å |
| 1210 | L | 61.4 | Low | 58.1 | Low | 77 Ų | 77 | 81.6 Ų | 81.6 | 40% | 0.403 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 144 | 174.3 | -65 | 173.5 | 0 | 0 | 0 | 109.5 | R1179 R1180 V1182 R1208 Q1212 | R1179-L1210 WeakPolarHBondContact CA-O 3.48Å; R1180-L1210 PolarHBondContact N-O 3.34Å; R1180-L1210 PolarHBondContact O-N 2.86Å; R1180-L1210 VanDerWaalsContact O-N 3.11Å; V1182-L1210 HydrophobicContact CB-CD1 4.28Å; V1182-L1210 HydrophobicContact CG2-CB 3.99Å; V1182-L1210 HydrophobicContact CG2-CD1 4.12Å; V1182-L1210 HydrophobicContact CG2-CG 4.42Å; R1208-L1210 HydrophobicContact CB-CG 4.13Å; R1208-L1210 PolarHBondContact O-N 2.9Å; L1210-Q1212 VanDerWaalsContact C-N 3.29Å; L1210-Q1212 PolarHBondContact O-N 2.86Å |
| 1211 | E | 58.7 | Low | 56.7 | Low | 102 Ų | 102 | 85.1 Ų | 85.1 | 48% | 0.477 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 99.7 | 160.1 | -69 | 175.1 | -158 | 0 | 0 | 105 | R1179 R1213 | R1179-E1211 HydrophobicContact CG-CB 4.49Å; R1179-E1211 HydrophobicContact CG-CG 3.51Å; R1179-E1211 IonicContact CZ-OE1 3.15Å; R1179-E1211 IonicContact NE-OE1 3.86Å; R1179-E1211 PolarHBondContact NE-OE1 3.47Å; R1179-E1211 VanDerWaalsContact NE-OE1 3.12Å; R1179-E1211 IonicContact NH2-OE1 3.75Å; R1179-E1211 PolarHBondContact NH2-OE1 2.8Å; E1211-R1213 VanDerWaalsContact C-N 3.34Å; E1211-R1213 PolarHBondContact O-N 3.32Å |
| 1212 | Q | 46 | Very low | 55.3 | Low | 85 Ų | 85 | 92.4 Ų | 92.4 | 40% | 0.397 | 43% | 0.431 | S | S | . | . | trans | -67.4 | 102.1 | 177.3 | -162.4 | 172.5 | 5.4 | 0 | 0 | 105.8 | L1210 I1214 | L1210-Q1212 VanDerWaalsContact C-N 3.29Å; L1210-Q1212 PolarHBondContact O-N 2.86Å; Q1212-I1214 PolarHBondContact O-N 2.98Å | ||
| 1213 | R | 40.5 | Very low | 54.7 | Low | 208 Ų | 208 | 95.1 Ų | 95.1 | 79% | 0.785 | 44% | 0.442 | S | S | * | . | trans | -55.1 | 114.3 | 153.8 | -72.4 | -174.9 | 179.4 | -175.7 | 0.1 | 103.2 | E1211 D1215 | E1211-R1213 VanDerWaalsContact C-N 3.34Å; E1211-R1213 PolarHBondContact O-N 3.32Å; R1213-D1215 PolarHBondContact O-N 3.41Å | ||
| 1214 | I | 41.6 | Very low | 54.7 | Low | 58 Ų | 58 | 90 Ų | 90 | 30% | 0.297 | 42% | 0.421 | S | S | . | . | trans | -68.7 | 83.4 | -177.3 | -52 | 166.3 | 0 | 0 | 0 | 105.8 | Q1212 D1216 Y1219 | Q1212-I1214 PolarHBondContact O-N 2.98Å; I1214-D1216 HydrophobicContact CG2-CB 3.85Å; I1214-D1216 PolarHBondContact O-N 2.76Å; I1214-Y1219 HydrophobicContact CD1-CG 4.47Å; I1214-Y1219 HydrophobicContact CG2-CD2 4.25Å; I1214-Y1219 HydrophobicContact CG2-CG 4.32Å | ||
| 1215 | D | 34.5 | Very low | 54.9 | Low | 130 Ų | 130 | 90.9 Ų | 90.9 | 70% | 0.695 | 42% | 0.424 | S | S | * | . | trans | -74.6 | -2.4 | 173.9 | -75 | -16.7 | 0 | 0 | 0 | 110.3 | R1213 V1217 | R1213-D1215 PolarHBondContact O-N 3.41Å; D1215-V1217 PolarHBondContact O-N 2.82Å | ||
| 1216 | D | 37.5 | Very low | 55.5 | Low | 88 Ų | 88 | 91.1 Ų | 91.1 | 47% | 0.471 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -65.1 | 92.9 | 156.9 | -67.3 | -32.5 | 0 | 0 | 0 | 107.9 | I1214 G1218 Y1219 | I1214-D1216 HydrophobicContact CG2-CB 3.85Å; I1214-D1216 PolarHBondContact O-N 2.76Å; D1216-G1218 VanDerWaalsContact C-N 3.31Å; D1216-G1218 PolarHBondContact O-N 3.34Å; D1216-Y1219 PolarHBondContact O-N 3.48Å |
| 1217 | V | 31.5 | Very low | 55.9 | Low | 103 Ų | 103 | 87.2 Ų | 87.2 | 62% | 0.624 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43 | 92.5 | 173.4 | 176.3 | 0 | 0 | 0 | 0 | 109.6 | D1215 | D1215-V1217 PolarHBondContact O-N 2.82Š|
| 1218 | G | 38.8 | Very low | 56.7 | Low | 53 Ų | 53 | 86.3 Ų | 86.3 | 55% | 0.546 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 163 | -28.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | D1216 | D1216-G1218 VanDerWaalsContact C-N 3.31Å; D1216-G1218 PolarHBondContact O-N 3.34Å |
| 1219 | Y | 36.2 | Very low | 57.6 | Low | 135 Ų | 135 | 81.3 Ų | 81.3 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -104.6 | -9.2 | -176.1 | -82.9 | -83.5 | 0 | 0 | 0 | 116 | I1214 D1216 Q1221 | I1214-Y1219 HydrophobicContact CD1-CG 4.47Å; I1214-Y1219 HydrophobicContact CG2-CD2 4.25Å; I1214-Y1219 HydrophobicContact CG2-CG 4.32Å; D1216-Y1219 PolarHBondContact O-N 3.48Å; Y1219-Q1221 PolarHBondContact O-N 3.31Å |
| 1220 | L | 36.7 | Very low | 58.7 | Low | 101 Ų | 101 | 75.2 Ų | 75.2 | 53% | 0.529 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -69.7 | 117.6 | 171.5 | -76.8 | 160.3 | 0 | 0 | 0 | 108 | R1222 | L1220-R1222 VanDerWaalsContact C-N 3.29Å; L1220-R1222 WeakPolarHBondContact O-CG 3.29Å; L1220-R1222 PolarHBondContact O-N 2.8Å |
| 1221 | Q | 46.2 | Very low | 60.3 | Low | 80 Ų | 80 | 71.6 Ų | 71.6 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | trans | -56.1 | 101.3 | 160.3 | -175.3 | -175.2 | -4.1 | 0 | 0 | 106.5 | Y1219 K1223 R1267 D1334 | Y1219-Q1221 PolarHBondContact O-N 3.31Å; Q1221-K1223 WeakPolarHBondContact CG-O 3.42Å; Q1221-K1223 PolarHBondContact NE2-O 2.72Å; Q1221-R1267 PolarHBondContact NE2-O 2.92Å; Q1221-D1334 WeakPolarHBondContact CA-OD2 3.36Å; Q1221-D1334 WeakPolarHBondContact CG-OD2 3.49Å | ||
| 1222 | R | 47.3 | Very low | 61.8 | Low | 182 Ų | 182 | 66.8 Ų | 66.8 | 69% | 0.687 | 32% | 0.322 | S | S | * | . | trans | -81.1 | -29.6 | -179.7 | -71.7 | -177.7 | 176.7 | -172.8 | -3.5 | 110.4 | L1220 D1334 | L1220-R1222 VanDerWaalsContact C-N 3.29Å; L1220-R1222 WeakPolarHBondContact O-CG 3.29Å; L1220-R1222 PolarHBondContact O-N 2.8Å; R1222-D1334 PolarHBondContact N-OD2 3.43Å | ||
| 1223 | K | 64.4 | Low | 63.9 | Low | 75 Ų | 75 | 62.8 Ų | 62.8 | 33% | 0.326 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -134.8 | 146.2 | -173.6 | -59.2 | -179.3 | -167.4 | 175.7 | 0 | 111 | Q1221 K1225 D1332 D1334 | Q1221-K1223 WeakPolarHBondContact CG-O 3.42Å; Q1221-K1223 PolarHBondContact NE2-O 2.72Å; K1223-K1225 PolarHBondContact O-N 3.4Å; K1223-D1332 WeakPolarHBondContact CD-OD1 3.14Å; K1223-D1332 WeakPolarHBondContact CE-OD2 3.3Å; K1223-D1332 IonicContact NZ-OD1 2.91Å; K1223-D1332 PolarHBondContact NZ-OD1 3.21Å; K1223-D1332 IonicContact NZ-OD2 2.67Å; K1223-D1332 PolarHBondContact NZ-OD2 2.9Å; K1223-D1334 PolarHBondContact N-OD1 3.27Å; K1223-D1334 PolarHBondContact N-OD2 2.99Å |
| 1224 | P | 73.1 | Confident | 66.2 | Low | 31 Ų | 31 | 53 Ų | 53 | 20% | 0.201 | 27% | 0.268 | C | S | . | . | trans | -57.1 | 138.8 | 176.7 | 22 | -30.9 | 0 | 0 | 0 | 110.8 | R1267 Q1269 A1333 | P1224-R1267 CarbonylContact C-O 3.55Å; P1224-R1267 WeakPolarHBondContact CA-O 3.33Å; P1224-Q1269 HydrophobicContact CB-CB 4.38Å; P1224-Q1269 HydrophobicContact CB-CG 3.79Å; P1224-Q1269 VanDerWaalsContact CG-CD 3.41Å; P1224-Q1269 HydrophobicContact CG-CG 3.82Å; P1224-A1333 WeakPolarHBondContact O-CB 3.39Å | ||
| 1225 | K | 81 | Confident | 68.1 | Low | 47 Ų | 47 | 51.7 Ų | 51.7 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 140.4 | 172.7 | -59.8 | -172.8 | 178.6 | -159 | 0 | 108.6 | K1223 R1267 I1268 Q1269 E1335 | K1223-K1225 PolarHBondContact O-N 3.4Å; K1225-R1267 PolarHBondContact N-O 3.4Å; K1225-I1268 HydrophobicContact CB-CG1 4.4Å; K1225-I1268 CarbonylContact O-C 3.56Å; K1225-I1268 WeakPolarHBondContact O-CA 3.22Å; K1225-Q1269 PolarHBondContact O-N 3.44Å; K1225-E1335 HydrophobicContact CB-CB 4.38Å; K1225-E1335 HydrophobicContact CD-CB 4.18Å; K1225-E1335 WeakPolarHBondContact CD-OE2 3.32Å; K1225-E1335 WeakPolarHBondContact CE-OE2 3.32Å; K1225-E1335 HydrophobicContact CG-CB 4.04Å; K1225-E1335 IonicContact NZ-OE2 3.75Å; K1225-E1335 PolarHBondContact NZ-OE2 3.02Å |
| 1226 | R | 87.6 | Confident | 70.5 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 115.1 | -179.3 | -164.5 | 68.5 | 178.3 | 87.8 | 9.8 | 110.1 | Q1269 D1271 L1287 L1328 A1333 E1335 R1336 L1337 | R1226-Q1269 PolarHBondContact NH1-O 3.17Å; R1226-D1271 IonicContact CZ-OD1 3.87Å; R1226-D1271 VanDerWaalsContact CZ-OD1 3.31Å; R1226-D1271 IonicContact CZ-OD2 3.95Å; R1226-D1271 IonicContact NH1-OD1 2.95Å; R1226-D1271 PolarHBondContact NH1-OD1 3.23Å; R1226-D1271 IonicContact NH1-OD2 2.99Å; R1226-D1271 IonicContact NH2-OD1 3.88Å; R1226-D1271 PolarHBondContact NH2-OD1 2.87Å; R1226-D1271 VanDerWaalsContact NH2-OD1 3.08Å; R1226-D1271 IonicContact NH2-OD2 3.3Å; R1226-D1271 PolarHBondContact NH2-OD2 2.72Å; R1226-L1287 VanDerWaalsContact CZ-CD2 3.49Å; R1226-L1328 HydrophobicContact CB-CD2 4.34Å; R1226-L1328 HydrophobicContact CG-CD2 3.49Å; R1226-L1328 VanDerWaalsContact CG-CD2 3.49Å; R1226-A1333 HydrophobicContact CB-CB 3.75Å; R1226-E1335 PolarHBondContact N-O 3.25Å; R1226-R1336 HydrophobicContact CB-CG 4.39Å; R1226-R1336 CarbonylContact O-C 3.04Å; R1226-R1336 WeakPolarHBondContact O-CA 3.22Å; R1226-L1337 PolarHBondContact O-N 3.04Å |
| 1227 | L | 89.8 | Confident | 72.8 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.3 | 177.3 | 175 | 63.5 | 0 | 0 | 0 | 110.3 | L1261 I1268 Q1269 Y1270 D1271 L1337 I1339 | L1227-L1261 HydrophobicContact CD2-CD1 3.76Å; L1227-I1268 HydrophobicContact CB-CG2 3.73Å; L1227-I1268 HydrophobicContact CD2-CG2 4.23Å; L1227-Q1269 PolarHBondContact N-O 3.17Å; L1227-Y1270 WeakPolarHBondContact O-CA 3.5Å; L1227-Y1270 WeakPolarHBondContact O-CB 3.32Å; L1227-D1271 PolarHBondContact O-N 3.07Å; L1227-L1337 HydrophobicContact CD1-CB 3.72Å; L1227-I1339 HydrophobicContact CD1-CD1 3.78Å; L1227-I1339 HydrophobicContact CD1-CG1 3.96Å |
| 1228 | R | 93.1 | Very high | 75.4 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 5% | 0.053 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132.4 | 173.4 | -178.5 | 168.1 | -79.9 | -169.9 | -8.8 | 110.3 | D1271 I1273 E1327 L1328 L1337 L1338 I1339 | R1228-D1271 WeakPolarHBondContact CA-OD1 3.23Å; R1228-D1271 WeakPolarHBondContact CB-OD1 3.28Å; R1228-D1271 WeakPolarHBondContact CG-OD1 3.42Å; R1228-D1271 IonicContact CZ-OD2 2.73Å; R1228-D1271 VanDerWaalsContact CZ-OD2 3.23Å; R1228-D1271 IonicContact NE-OD1 3.14Å; R1228-D1271 PolarHBondContact NE-OD1 3.22Å; R1228-D1271 IonicContact NE-OD2 3.42Å; R1228-D1271 PolarHBondContact NE-OD2 3.09Å; R1228-D1271 IonicContact NH2-OD2 3.74Å; R1228-D1271 PolarHBondContact NH2-OD2 3.32Å; R1228-I1273 HydrophobicContact CG-CD1 4.26Å; R1228-I1273 VanDerWaalsContact CZ-CD1 3.44Å; R1228-E1327 IonicContact CZ-OE2 3.62Å; R1228-E1327 IonicContact NH1-OE2 3.22Å; R1228-E1327 PolarHBondContact NH1-OE2 2.85Å; R1228-E1327 IonicContact NH2-OE2 3.12Å; R1228-E1327 PolarHBondContact NH2-OE2 3.39Å; R1228-L1328 HydrophobicContact CB-CD1 3.94Å; R1228-L1328 HydrophobicContact CB-CD2 4.1Å; R1228-L1328 HydrophobicContact CB-CG 4.38Å; R1228-L1337 PolarHBondContact N-O 3.06Å; R1228-L1338 HydrophobicContact CB-CD1 4.02Å; R1228-L1338 HydrophobicContact CG-CD1 3.9Å; R1228-L1338 WeakPolarHBondContact O-CA 3.36Å; R1228-I1339 PolarHBondContact O-N 2.94Å |
| 1229 | V | 93.7 | Very high | 77.4 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114.8 | 173.3 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | V1231 L1257 D1271 I1272 I1273 I1339 F1341 | V1229-V1231 HydrophobicContact CG1-CG2 3.8Å; V1229-L1257 HydrophobicContact CG1-CD1 4.44Å; V1229-L1257 HydrophobicContact CG2-CD1 3.94Å; V1229-D1271 PolarHBondContact N-O 3.37Å; V1229-I1272 HydrophobicContact CB-CG1 4.31Å; V1229-I1272 HydrophobicContact CB-CG2 4.41Å; V1229-I1272 WeakPolarHBondContact O-CA 3.47Å; V1229-I1273 PolarHBondContact O-N 3.47Å; V1229-I1339 CarbonylContact C-O 3.59Å; V1229-I1339 WeakPolarHBondContact CA-O 3.49Å; V1229-F1341 HydrophobicContact CG1-CD2 4.28Å; V1229-F1341 HydrophobicContact CG1-CE1 4.25Å; V1229-F1341 HydrophobicContact CG1-CE2 4.01Å; V1229-F1341 HydrophobicContact CG1-CZ 4.01Å |
| 1230 | L | 93.7 | Very high | 79.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 114.3 | 175.8 | -177.4 | 67.2 | 0 | 0 | 0 | 109.2 | I1273 H1275 A1320 M1321 L1338 I1339 V1340 F1341 | L1230-I1273 CarbonylContact C-O 3.54Å; L1230-I1273 WeakPolarHBondContact CA-O 3.49Å; L1230-I1273 HydrophobicContact CD1-CB 4.13Å; L1230-I1273 HydrophobicContact CD1-CG2 3.99Å; L1230-H1275 HydrophobicContact CD1-CB 4.48Å; L1230-A1320 HydrophobicContact CD1-CB 4.06Å; L1230-A1320 HydrophobicContact CD2-CB 3.91Å; L1230-M1321 HydrophobicContact CD2-CG 3.79Å; L1230-L1338 HydrophobicContact CB-CD1 4.01Å; L1230-I1339 PolarHBondContact N-O 3.5Å; L1230-V1340 HydrophobicContact CB-CG2 4.36Å; L1230-V1340 HydrophobicContact CD2-CG1 4.3Å; L1230-V1340 HydrophobicContact CD2-CG2 4.28Å; L1230-V1340 CarbonylContact O-C 3.57Å; L1230-V1340 WeakPolarHBondContact O-CA 3.49Å; L1230-F1341 PolarHBondContact O-N 2.85Å |
| 1231 | V | 93.7 | Very high | 82 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.4 | -170.2 | -173.3 | 0 | 0 | 0 | 0 | 110.7 | V1229 V1233 S1250 I1272 I1273 G1274 H1275 M1304 F1341 | V1229-V1231 HydrophobicContact CG1-CG2 3.8Å; V1231-V1233 HydrophobicContact CG1-CG1 4.31Å; V1231-V1233 PolarHBondContact O-N 3.21Å; V1231-S1250 WeakPolarHBondContact CG1-OG 3.29Å; V1231-I1272 HydrophobicContact CG2-CG2 3.62Å; V1231-I1273 PolarHBondContact N-O 2.78Å; V1231-G1274 CarbonylContact O-C 3.47Å; V1231-G1274 VanDerWaalsContact O-CA 3.24Å; V1231-G1274 WeakPolarHBondContact O-CA 3.29Å; V1231-H1275 PolarHBondContact O-N 3.01Å; V1231-H1275 PolarHBondContact O-ND1 3.16Å; V1231-M1304 HydrophobicContact CG1-CE 3.8Å; V1231-F1341 HydrophobicContact CG1-CB 4.49Å; V1231-F1341 HydrophobicContact CG1-CD2 4.36Å; V1231-F1341 HydrophobicContact CG2-CD2 4.09Å |
| 1232 | D | 90.8 | Very high | 83.5 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 118.5 | 168.9 | -175.3 | -6.3 | 0 | 0 | 0 | 110.4 | S1234 M1237 H1275 F1341 D1343 | D1232-S1234 WeakPolarHBondContact OD1-CB 3.36Å; D1232-S1234 PolarHBondContact OD1-N 3.42Å; D1232-S1234 PolarHBondContact OD1-OG 3.45Å; D1232-M1237 HydrophobicContact CB-CG 4.26Å; D1232-M1237 WeakPolarHBondContact O-CE 3.41Å; D1232-M1237 WeakPolarHBondContact O-CG 3.27Å; D1232-H1275 VanDerWaalsContact CA-CE1 3.42Å; D1232-H1275 WeakPolarHBondContact CA-CE1 3.26Å; D1232-F1341 VanDerWaalsContact CB-O 3.25Å; D1232-F1341 WeakPolarHBondContact CB-O 3.44Å; D1232-F1341 PolarHBondContact N-O 3.08Å; D1232-D1343 PolarHBondContact OD2-N 2.64Å |
| 1233 | V | 90.2 | Very high | 84.9 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | trans | -123.4 | 32.6 | 173.9 | -67.5 | 0 | 0 | 0 | 0 | 110.8 | V1231 H1275 I1282 M1304 S1308 | V1231-V1233 HydrophobicContact CG1-CG1 4.31Å; V1231-V1233 PolarHBondContact O-N 3.21Å; V1233-H1275 VanDerWaalsContact CG2-O 3.23Å; V1233-H1275 WeakPolarHBondContact CG2-O 3.3Å; V1233-H1275 PolarHBondContact N-O 2.89Å; V1233-I1282 HydrophobicContact CG2-CD1 3.68Å; V1233-M1304 HydrophobicContact CG1-CB 4.07Å; V1233-M1304 HydrophobicContact CG1-CE 4.18Å; V1233-M1304 HydrophobicContact CG1-CG 4.08Å; V1233-S1308 WeakPolarHBondContact O-CA 3.11Å; V1233-S1308 WeakPolarHBondContact O-CB 3.2Å | ||
| 1234 | S | 88.1 | Confident | 85.7 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -71.6 | 168.9 | 178.8 | 65.5 | 0 | 0 | 0 | 0 | 113.8 | D1232 S1236 M1237 | D1232-S1234 WeakPolarHBondContact OD1-CB 3.36Å; D1232-S1234 PolarHBondContact OD1-N 3.42Å; D1232-S1234 PolarHBondContact OD1-OG 3.45Å; S1234-S1236 PolarHBondContact O-N 2.81Å; S1234-S1236 PolarHBondContact OG-OG 2.83Å; S1234-M1237 VanDerWaalsContact O-CB 3.3Å; S1234-M1237 WeakPolarHBondContact O-CB 3.36Å; S1234-M1237 PolarHBondContact O-N 2.71Å |
| 1235 | A | 82 | Confident | 86.3 | Confident | 30 Ų | 30 | 40.2 Ų | 40.2 | 25% | 0.248 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -26.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1237 Y1238 R1239 S1308 C1311 | A1235-M1237 VanDerWaalsContact C-N 3.33Å; A1235-Y1238 PolarHBondContact O-N 3.25Å; A1235-R1239 WeakPolarHBondContact O-CB 3.44Å; A1235-R1239 PolarHBondContact O-N 3.33Å; A1235-S1308 WeakPolarHBondContact CA-O 3.28Å; A1235-C1311 PolarHBondContact N-SG 3.26Å |
| 1236 | S | 84.5 | Confident | 86.5 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70 | -31.3 | 175.3 | 49.1 | 0 | 0 | 0 | 0 | 112.1 | S1234 R1239 F1240 D1343 | S1234-S1236 PolarHBondContact O-N 2.81Å; S1234-S1236 PolarHBondContact OG-OG 2.83Å; S1236-R1239 PolarHBondContact O-N 3.44Å; S1236-F1240 WeakPolarHBondContact O-CB 3.37Å; S1236-F1240 WeakPolarHBondContact O-CD2 3.46Å; S1236-F1240 PolarHBondContact O-N 3.38Å; S1236-D1343 VanDerWaalsContact CB-OD2 3.31Å; S1236-D1343 WeakPolarHBondContact CB-OD2 3.37Å; S1236-D1343 PolarHBondContact OG-OD2 3.14Å |
| 1237 | M | 86.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.6 | -47.9 | 174.2 | -68.8 | -67.8 | -82 | 0 | 0 | 111 | D1232 S1234 A1235 N1241 R1246 L1247 D1343 | D1232-M1237 HydrophobicContact CB-CG 4.26Å; D1232-M1237 WeakPolarHBondContact O-CE 3.41Å; D1232-M1237 WeakPolarHBondContact O-CG 3.27Å; S1234-M1237 VanDerWaalsContact O-CB 3.3Å; S1234-M1237 WeakPolarHBondContact O-CB 3.36Å; S1234-M1237 PolarHBondContact O-N 2.71Å; A1235-M1237 VanDerWaalsContact C-N 3.33Å; M1237-N1241 WeakPolarHBondContact O-CB 3.39Å; M1237-N1241 PolarHBondContact O-N 2.97Å; M1237-R1246 HydrophobicContact CE-CG 4.43Å; M1237-R1246 HydrophobicContact SD-CB 4.25Å; M1237-R1246 HydrophobicContact SD-CG 3.78Å; M1237-L1247 HydrophobicContact CB-CB 4.3Å; M1237-L1247 HydrophobicContact CB-CD1 4.2Å; M1237-L1247 WeakPolarHBondContact O-CB 3.38Å; M1237-D1343 HydrophobicContact CG-CB 4.47Å; M1237-D1343 HydrophobicContact SD-CB 3.53Å; M1237-D1343 VanDerWaalsContact SD-CB 3.53Å |
| 1238 | Y | 85.7 | Confident | 86.5 | Confident | 98 Ų | 98 | 41.3 Ų | 41.3 | 38% | 0.384 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.7 | -49.7 | 176.1 | -170.7 | -92.6 | 0 | 0 | 0 | 112.2 | A1235 F1240 N1241 L1247 V1305 S1308 Q1309 | A1235-Y1238 PolarHBondContact O-N 3.25Å; Y1238-F1240 VanDerWaalsContact C-N 3.35Å; Y1238-F1240 PolarHBondContact O-N 3.47Å; Y1238-N1241 WeakPolarHBondContact O-CB 3.43Å; Y1238-N1241 PolarHBondContact O-N 3.03Å; Y1238-N1241 VanDerWaalsContact O-N 3.17Å; Y1238-L1247 HydrophobicContact CD2-CD2 4.1Å; Y1238-V1305 HydrophobicContact CD2-CG1 4.37Å; Y1238-V1305 HydrophobicContact CE2-CG1 4.09Å; Y1238-S1308 WeakPolarHBondContact CB-O 3.39Å; Y1238-Q1309 HydrophobicContact CD1-CB 4.43Å; Y1238-Q1309 HydrophobicContact CD1-CG 4.39Å; Y1238-Q1309 HydrophobicContact CD2-CB 3.87Å; Y1238-Q1309 HydrophobicContact CD2-CG 4.43Å; Y1238-Q1309 HydrophobicContact CE1-CB 4.41Å; Y1238-Q1309 HydrophobicContact CE1-CG 3.99Å; Y1238-Q1309 HydrophobicContact CE2-CB 3.85Å; Y1238-Q1309 HydrophobicContact CE2-CG 4.03Å; Y1238-Q1309 HydrophobicContact CG-CB 4.17Å |
| 1239 | R | 82.3 | Confident | 86.3 | Confident | 174 Ų | 174 | 42.3 Ų | 42.3 | 66% | 0.657 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -58.2 | -42.6 | -175.4 | 179.6 | 177.8 | 176 | 172.6 | -1.8 | 113 | A1235 S1236 | A1235-R1239 WeakPolarHBondContact O-CB 3.44Å; A1235-R1239 PolarHBondContact O-N 3.33Å; S1236-R1239 PolarHBondContact O-N 3.44Å |
| 1240 | F | 83.4 | Confident | 86.1 | Confident | 48 Ų | 48 | 42.3 Ų | 42.3 | 21% | 0.211 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -94.6 | -0.7 | -178.3 | -63.7 | -66 | 0 | 0 | 0 | 113.3 | S1236 Y1238 G1242 Y1243 D1244 R1246 I1377 | S1236-F1240 WeakPolarHBondContact O-CB 3.37Å; S1236-F1240 WeakPolarHBondContact O-CD2 3.46Å; S1236-F1240 PolarHBondContact O-N 3.38Å; Y1238-F1240 VanDerWaalsContact C-N 3.35Å; Y1238-F1240 PolarHBondContact O-N 3.47Å; F1240-G1242 PolarHBondContact O-N 3.46Å; F1240-Y1243 WeakPolarHBondContact O-CA 3.35Å; F1240-Y1243 WeakPolarHBondContact O-CB 3.46Å; F1240-Y1243 PolarHBondContact O-N 2.83Å; F1240-D1244 PolarHBondContact O-N 3.08Å; F1240-D1244 VanDerWaalsContact O-N 3.13Å; F1240-R1246 VanDerWaalsContact CB-CZ 3.46Å; F1240-I1377 HydrophobicContact CD2-CD1 4.37Å; F1240-I1377 HydrophobicContact CE2-CD1 3.88Å; F1240-I1377 HydrophobicContact CZ-CD1 4.09Å |
| 1241 | N | 84.9 | Confident | 86 | Confident | 35 Ų | 35 | 43.3 Ų | 43.3 | 19% | 0.187 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.9 | -35.5 | 177.5 | -166.3 | 49.2 | 0 | 0 | 0 | 112.4 | M1237 Y1238 Y1243 M1245 L1247 K1248 | M1237-N1241 WeakPolarHBondContact O-CB 3.39Å; M1237-N1241 PolarHBondContact O-N 2.97Å; Y1238-N1241 WeakPolarHBondContact O-CB 3.43Å; Y1238-N1241 PolarHBondContact O-N 3.03Å; Y1238-N1241 VanDerWaalsContact O-N 3.17Å; N1241-Y1243 PolarHBondContact O-N 3.37Å; N1241-M1245 WeakPolarHBondContact O-CA 3.5Å; N1241-M1245 PolarHBondContact O-N 3.49Å; N1241-M1245 VanDerWaalsContact OD1-CA 3.29Å; N1241-M1245 WeakPolarHBondContact OD1-CA 3.49Å; N1241-M1245 PolarHBondContact OD1-O 3.39Å; N1241-L1247 HydrophobicContact CB-CB 3.99Å; N1241-L1247 WeakPolarHBondContact OD1-CB 3.43Å; N1241-L1247 PolarHBondContact OD1-N 3.01Å; N1241-K1248 PolarHBondContact OD1-N 3.4Å |
| 1242 | G | 78.6 | Confident | 85.8 | Confident | 69 Ų | 69 | 43.8 Ų | 43.8 | 71% | 0.711 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -67.6 | -21.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1240 | F1240-G1242 PolarHBondContact O-N 3.46Å |
| 1243 | Y | 76.9 | Confident | 85.7 | Confident | 188 Ų | 188 | 43.8 Ų | 43.8 | 74% | 0.737 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -87.6 | -49.6 | -179.2 | 177.9 | -106.6 | 0 | 0 | 0 | 112.2 | F1240 N1241 | F1240-Y1243 WeakPolarHBondContact O-CA 3.35Å; F1240-Y1243 WeakPolarHBondContact O-CB 3.46Å; F1240-Y1243 PolarHBondContact O-N 2.83Å; N1241-Y1243 PolarHBondContact O-N 3.37Å |
| 1244 | D | 80.3 | Confident | 85.8 | Confident | 26 Ų | 26 | 43.8 Ų | 43.8 | 14% | 0.139 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -128.3 | 5.2 | -173.5 | 69.1 | 2 | 0 | 0 | 0 | 114.2 | F1240 R1246 R1249 | F1240-D1244 PolarHBondContact O-N 3.08Å; F1240-D1244 VanDerWaalsContact O-N 3.13Å; D1244-R1246 VanDerWaalsContact CG-NE 3.34Å; D1244-R1246 PolarHBondContact O-N 3.49Å; D1244-R1246 WeakPolarHBondContact OD1-CB 3.36Å; D1244-R1246 VanDerWaalsContact OD1-CG 3.26Å; D1244-R1246 WeakPolarHBondContact OD1-CG 3.48Å; D1244-R1246 IonicContact OD1-CZ 3.7Å; D1244-R1246 PolarHBondContact OD1-N 2.79Å; D1244-R1246 IonicContact OD1-NE 2.73Å; D1244-R1246 PolarHBondContact OD1-NE 3.23Å; D1244-R1246 IonicContact OD1-NH2 2.78Å; D1244-R1246 IonicContact OD2-CZ 3.6Å; D1244-R1246 IonicContact OD2-NE 3.87Å; D1244-R1246 PolarHBondContact OD2-NE 3.01Å; D1244-R1246 IonicContact OD2-NH2 3.7Å; D1244-R1246 PolarHBondContact OD2-NH2 3.04Å; D1244-R1249 PolarHBondContact O-NH1 2.83Å; D1244-R1249 PolarHBondContact O-NH2 3.34Å |
| 1245 | M | 85.4 | Confident | 86 | Confident | 95 Ų | 95 | 43.6 Ų | 43.6 | 47% | 0.468 | 21% | 0.21 | S | C | . | . | trans | 59.6 | 24 | -179.4 | -56.3 | -68.9 | 170.3 | 0 | 0 | 114.3 | N1241 L1247 K1248 R1249 | N1241-M1245 WeakPolarHBondContact O-CA 3.5Å; N1241-M1245 PolarHBondContact O-N 3.49Å; N1241-M1245 VanDerWaalsContact OD1-CA 3.29Å; N1241-M1245 WeakPolarHBondContact OD1-CA 3.49Å; N1241-M1245 PolarHBondContact OD1-O 3.39Å; M1245-L1247 PolarHBondContact O-N 3.39Å; M1245-K1248 HydrophobicContact CB-CB 4.27Å; M1245-K1248 PolarHBondContact O-N 3.46Å; M1245-K1248 HydrophobicContact SD-CD 4.44Å; M1245-R1249 PolarHBondContact O-N 3.24Å | ||
| 1246 | R | 86.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.9 | -40.6 | -177 | 63.7 | -176.8 | 67.2 | -175.9 | -0.5 | 114.7 | M1237 F1240 D1244 R1249 S1250 D1343 | M1237-R1246 HydrophobicContact CE-CG 4.43Å; M1237-R1246 HydrophobicContact SD-CB 4.25Å; M1237-R1246 HydrophobicContact SD-CG 3.78Å; F1240-R1246 VanDerWaalsContact CB-CZ 3.46Å; D1244-R1246 VanDerWaalsContact CG-NE 3.34Å; D1244-R1246 PolarHBondContact O-N 3.49Å; D1244-R1246 WeakPolarHBondContact OD1-CB 3.36Å; D1244-R1246 VanDerWaalsContact OD1-CG 3.26Å; D1244-R1246 WeakPolarHBondContact OD1-CG 3.48Å; D1244-R1246 IonicContact OD1-CZ 3.7Å; D1244-R1246 PolarHBondContact OD1-N 2.79Å; D1244-R1246 IonicContact OD1-NE 2.73Å; D1244-R1246 PolarHBondContact OD1-NE 3.23Å; D1244-R1246 IonicContact OD1-NH2 2.78Å; D1244-R1246 IonicContact OD2-CZ 3.6Å; D1244-R1246 IonicContact OD2-NE 3.87Å; D1244-R1246 PolarHBondContact OD2-NE 3.01Å; D1244-R1246 IonicContact OD2-NH2 3.7Å; D1244-R1246 PolarHBondContact OD2-NH2 3.04Å; R1246-R1249 PolarHBondContact O-N 2.7Å; R1246-S1250 WeakPolarHBondContact O-CB 3.24Å; R1246-S1250 PolarHBondContact O-N 2.99Å; R1246-D1343 IonicContact NH1-OD2 2.78Å; R1246-D1343 PolarHBondContact NH1-OD2 3.35Å |
| 1247 | L | 88.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.1 | -41.4 | 178.4 | 177 | 65.3 | 0 | 0 | 0 | 110.3 | M1237 Y1238 N1241 M1245 R1249 S1250 M1251 V1305 S1308 | M1237-L1247 HydrophobicContact CB-CB 4.3Å; M1237-L1247 HydrophobicContact CB-CD1 4.2Å; M1237-L1247 WeakPolarHBondContact O-CB 3.38Å; Y1238-L1247 HydrophobicContact CD2-CD2 4.1Å; N1241-L1247 HydrophobicContact CB-CB 3.99Å; N1241-L1247 WeakPolarHBondContact OD1-CB 3.43Å; N1241-L1247 PolarHBondContact OD1-N 3.01Å; M1245-L1247 PolarHBondContact O-N 3.39Å; L1247-R1249 PolarHBondContact O-N 3.21Å; L1247-S1250 WeakPolarHBondContact O-CB 2.97Å; L1247-S1250 PolarHBondContact O-N 3.36Å; L1247-M1251 WeakPolarHBondContact O-CG 3.46Å; L1247-M1251 PolarHBondContact O-N 3.08Å; L1247-V1305 HydrophobicContact CD2-CG2 4.34Å; L1247-S1308 WeakPolarHBondContact CD2-OG 3.13Å |
| 1248 | K | 88 | Confident | 86.7 | Confident | 78 Ų | 78 | 42.2 Ų | 42.2 | 34% | 0.339 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.1 | -45.9 | 174 | -174.7 | 179.5 | 176.2 | -173 | 0 | 111.7 | N1241 M1245 S1250 M1251 E1252 | N1241-K1248 PolarHBondContact OD1-N 3.4Å; M1245-K1248 HydrophobicContact CB-CB 4.27Å; M1245-K1248 PolarHBondContact O-N 3.46Å; M1245-K1248 HydrophobicContact SD-CD 4.44Å; K1248-S1250 VanDerWaalsContact C-N 3.35Å; K1248-S1250 PolarHBondContact O-N 2.88Å; K1248-M1251 HydrophobicContact CB-CE 4.4Å; K1248-M1251 PolarHBondContact O-N 3.33Å; K1248-E1252 WeakPolarHBondContact CE-OE1 3.22Å; K1248-E1252 IonicContact NZ-OE1 3.45Å; K1248-E1252 WeakPolarHBondContact O-CG 3.2Å; K1248-E1252 PolarHBondContact O-N 3.31Å |
| 1249 | R | 88.8 | Confident | 86.9 | Confident | 36 Ų | 36 | 38.7 Ų | 38.7 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 174.2 | -73.6 | -163.3 | -70.6 | -82.1 | -17.3 | 111.7 | D1244 M1245 R1246 L1247 M1251 E1252 S1253 M1374 R1397 T1399 | D1244-R1249 PolarHBondContact O-NH1 2.83Å; D1244-R1249 PolarHBondContact O-NH2 3.34Å; M1245-R1249 PolarHBondContact O-N 3.24Å; R1246-R1249 PolarHBondContact O-N 2.7Å; L1247-R1249 PolarHBondContact O-N 3.21Å; R1249-M1251 VanDerWaalsContact C-N 3.31Å; R1249-M1251 PolarHBondContact O-N 2.67Å; R1249-E1252 PolarHBondContact O-N 3.16Å; R1249-S1253 VanDerWaalsContact O-CB 3.32Å; R1249-S1253 WeakPolarHBondContact O-CB 3.33Å; R1249-S1253 PolarHBondContact O-N 2.79Å; R1249-S1253 PolarHBondContact O-OG 3.02Å; R1249-M1374 HydrophobicContact CB-CE 3.62Å; R1249-M1374 VanDerWaalsContact CZ-O 3.27Å; R1249-M1374 PolarHBondContact NE-O 3.21Å; R1249-M1374 PolarHBondContact NH2-O 2.62Å; R1249-R1397 VanDerWaalsContact CD-O 3.31Å; R1249-R1397 WeakPolarHBondContact CD-O 3.19Å; R1249-R1397 PolarHBondContact NE-O 3.44Å; R1249-R1397 PolarHBondContact NH1-O 3Å; R1249-R1397 VanDerWaalsContact NH1-O 3.16Å; R1249-T1399 HydrophobicContact CB-CG2 3.85Å; R1249-T1399 HydrophobicContact CG-CG2 3.9Å |
| 1250 | S | 89.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.8 | -41.9 | 176.8 | -168.6 | 0 | 0 | 0 | 0 | 112.2 | V1231 R1246 L1247 K1248 S1253 C1254 | V1231-S1250 WeakPolarHBondContact CG1-OG 3.29Å; R1246-S1250 WeakPolarHBondContact O-CB 3.24Å; R1246-S1250 PolarHBondContact O-N 2.99Å; L1247-S1250 WeakPolarHBondContact O-CB 2.97Å; L1247-S1250 PolarHBondContact O-N 3.36Å; K1248-S1250 VanDerWaalsContact C-N 3.35Å; K1248-S1250 PolarHBondContact O-N 2.88Å; S1250-S1253 WeakPolarHBondContact O-CB 3.47Å; S1250-S1253 PolarHBondContact O-N 3.33Å; S1250-C1254 PolarHBondContact O-N 3.25Å; S1250-C1254 PolarHBondContact O-SG 3.37Å |
| 1251 | M | 91 | Very high | 87.2 | Confident | 22 Ų | 22 | 28.5 Ų | 28.5 | 11% | 0.108 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.1 | -47.9 | 175.3 | -71.6 | -170.2 | -66 | 0 | 0 | 112.8 | L1247 K1248 R1249 S1253 C1254 L1255 L1301 M1304 V1305 | L1247-M1251 WeakPolarHBondContact O-CG 3.46Å; L1247-M1251 PolarHBondContact O-N 3.08Å; K1248-M1251 HydrophobicContact CB-CE 4.4Å; K1248-M1251 PolarHBondContact O-N 3.33Å; R1249-M1251 VanDerWaalsContact C-N 3.31Å; R1249-M1251 PolarHBondContact O-N 2.67Å; M1251-S1253 VanDerWaalsContact C-N 3.29Å; M1251-S1253 PolarHBondContact O-N 3.28Å; M1251-C1254 PolarHBondContact O-N 3.48Å; M1251-L1255 WeakPolarHBondContact O-CB 3.48Å; M1251-L1255 PolarHBondContact O-N 3.12Å; M1251-L1301 HydrophobicContact CB-CD2 3.93Å; M1251-L1301 HydrophobicContact CG-CB 4.47Å; M1251-L1301 HydrophobicContact CG-CD2 4.17Å; M1251-L1301 WeakPolarHBondContact O-CD2 3.09Å; M1251-L1301 HydrophobicContact SD-CB 4.17Å; M1251-M1304 HydrophobicContact CG-CE 4.15Å; M1251-M1304 HydrophobicContact CG-SD 4.46Å; M1251-V1305 HydrophobicContact CE-CG2 3.88Å; M1251-V1305 HydrophobicContact SD-CG2 3.33Å; M1251-V1305 WeakPolarHBondContact SD-CG2 3.48Å |
| 1252 | E | 89.8 | Confident | 87.1 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.1 | -44.3 | 175.3 | -77.6 | 175.3 | -174.8 | 0 | 0 | 110.9 | L1154 V1158 K1248 R1249 L1255 M1256 T1399 | L1154-E1252 HydrophobicContact CD2-CG 3.95Å; V1158-E1252 HydrophobicContact CG1-CB 3.74Å; V1158-E1252 HydrophobicContact CG1-CG 4.2Å; K1248-E1252 WeakPolarHBondContact CE-OE1 3.22Å; K1248-E1252 IonicContact NZ-OE1 3.45Å; K1248-E1252 WeakPolarHBondContact O-CG 3.2Å; K1248-E1252 PolarHBondContact O-N 3.31Å; R1249-E1252 PolarHBondContact O-N 3.16Å; E1252-L1255 PolarHBondContact O-N 3.16Å; E1252-M1256 WeakPolarHBondContact O-CB 3.34Å; E1252-M1256 PolarHBondContact O-N 2.89Å; E1252-T1399 HydrophobicContact CB-CG2 3.78Å; E1252-T1399 WeakPolarHBondContact OE2-CB 3.39Å; E1252-T1399 VanDerWaalsContact OE2-CG2 3.28Å; E1252-T1399 WeakPolarHBondContact OE2-CG2 3.21Å; E1252-T1399 PolarHBondContact OE2-OG1 3.48Å |
| 1253 | S | 89.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 175.7 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | R1249 S1250 M1251 M1256 L1257 M1374 L1402 | R1249-S1253 VanDerWaalsContact O-CB 3.32Å; R1249-S1253 WeakPolarHBondContact O-CB 3.33Å; R1249-S1253 PolarHBondContact O-N 2.79Å; R1249-S1253 PolarHBondContact O-OG 3.02Å; S1250-S1253 WeakPolarHBondContact O-CB 3.47Å; S1250-S1253 PolarHBondContact O-N 3.33Å; M1251-S1253 VanDerWaalsContact C-N 3.29Å; M1251-S1253 PolarHBondContact O-N 3.28Å; S1253-M1256 PolarHBondContact O-N 3.47Å; S1253-L1257 WeakPolarHBondContact O-CG 3.48Å; S1253-L1257 PolarHBondContact O-N 2.95Å; S1253-L1257 VanDerWaalsContact O-N 3.09Å; S1253-M1374 WeakPolarHBondContact OG-CE 3.4Å; S1253-L1402 WeakPolarHBondContact OG-CD2 3.42Å |
| 1254 | C | 91.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 176.8 | -67.6 | 0 | 0 | 0 | 0 | 111.2 | S1250 M1251 M1256 L1257 M1258 I1272 L1301 | S1250-C1254 PolarHBondContact O-N 3.25Å; S1250-C1254 PolarHBondContact O-SG 3.37Å; M1251-C1254 PolarHBondContact O-N 3.48Å; C1254-M1256 VanDerWaalsContact C-N 3.33Å; C1254-M1256 PolarHBondContact O-N 3.21Å; C1254-L1257 PolarHBondContact O-N 3.49Å; C1254-M1258 HydrophobicContact CB-CE 4.44Å; C1254-M1258 VanDerWaalsContact O-CG 3.31Å; C1254-M1258 WeakPolarHBondContact O-CG 3.25Å; C1254-M1258 PolarHBondContact O-N 3.44Å; C1254-I1272 HydrophobicContact CB-CD1 4.49Å; C1254-L1301 HydrophobicContact CB-CD2 4.23Å |
| 1255 | L | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 176.6 | -178.2 | 59.6 | 0 | 0 | 0 | 111.4 | Y1151 L1154 M1155 V1158 M1251 E1252 L1257 M1258 E1259 R1297 L1301 | Y1151-L1255 HydrophobicContact CE2-CD1 3.69Å; L1154-L1255 HydrophobicContact CB-CD2 3.74Å; M1155-L1255 HydrophobicContact SD-CD2 4.48Å; V1158-L1255 HydrophobicContact CG2-CD2 4.04Å; V1158-L1255 HydrophobicContact CG2-CG 4.24Å; M1251-L1255 WeakPolarHBondContact O-CB 3.48Å; M1251-L1255 PolarHBondContact O-N 3.12Å; E1252-L1255 PolarHBondContact O-N 3.16Å; L1255-L1257 PolarHBondContact O-N 3.37Å; L1255-M1258 PolarHBondContact O-N 2.88Å; L1255-E1259 HydrophobicContact CD1-CG 4.28Å; L1255-E1259 WeakPolarHBondContact O-CB 3.31Å; L1255-E1259 PolarHBondContact O-N 2.95Å; L1255-R1297 HydrophobicContact CD1-CB 4.2Å; L1255-L1301 HydrophobicContact CB-CD1 4.14Å; L1255-L1301 HydrophobicContact CD1-CD1 4.44Å; L1255-L1301 HydrophobicContact CD2-CD1 4.39Å |
| 1256 | M | 89.5 | Confident | 86.4 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 178.3 | -173.8 | -174.4 | 71.5 | 0 | 0 | 112.1 | V1158 H1161 V1162 L1165 E1252 S1253 C1254 A1260 L1402 P1403 | V1158-M1256 HydrophobicContact CB-CB 4.12Å; V1158-M1256 HydrophobicContact CB-CG 4.45Å; V1158-M1256 HydrophobicContact CG1-CB 4.34Å; H1161-M1256 HydrophobicContact CB-CG 4.37Å; H1161-M1256 HydrophobicContact CB-SD 3.57Å; H1161-M1256 VanDerWaalsContact CB-SD 3.57Å; V1162-M1256 HydrophobicContact CG2-CB 4.23Å; V1162-M1256 HydrophobicContact CG2-CG 3.78Å; L1165-M1256 HydrophobicContact CD1-CE 3.5Å; L1165-M1256 HydrophobicContact CD1-CG 3.95Å; L1165-M1256 HydrophobicContact CD1-SD 3.78Å; E1252-M1256 WeakPolarHBondContact O-CB 3.34Å; E1252-M1256 PolarHBondContact O-N 2.89Å; S1253-M1256 PolarHBondContact O-N 3.47Å; C1254-M1256 VanDerWaalsContact C-N 3.33Å; C1254-M1256 PolarHBondContact O-N 3.21Å; M1256-A1260 WeakPolarHBondContact O-CB 3.25Å; M1256-A1260 PolarHBondContact O-N 3.43Å; M1256-L1402 HydrophobicContact CE-CB 3.85Å; M1256-L1402 HydrophobicContact CE-CD2 3.3Å; M1256-L1402 HydrophobicContact CE-CG 3.51Å; M1256-P1403 HydrophobicContact CE-CG 4.21Å; M1256-P1403 HydrophobicContact SD-CG 3.7Å |
| 1257 | L | 88.8 | Confident | 85.7 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67 | -43.5 | 178.2 | -72.2 | 174.8 | 0 | 0 | 0 | 112.2 | V1229 S1253 C1254 L1255 E1259 A1260 L1261 F1341 V1406 | V1229-L1257 HydrophobicContact CG1-CD1 4.44Å; V1229-L1257 HydrophobicContact CG2-CD1 3.94Å; S1253-L1257 WeakPolarHBondContact O-CG 3.48Å; S1253-L1257 PolarHBondContact O-N 2.95Å; S1253-L1257 VanDerWaalsContact O-N 3.09Å; C1254-L1257 PolarHBondContact O-N 3.49Å; L1255-L1257 PolarHBondContact O-N 3.37Å; L1257-E1259 VanDerWaalsContact C-N 3.33Å; L1257-E1259 PolarHBondContact O-N 2.91Å; L1257-A1260 PolarHBondContact O-N 3.34Å; L1257-L1261 HydrophobicContact CB-CD1 4.5Å; L1257-L1261 VanDerWaalsContact O-CB 3.27Å; L1257-L1261 WeakPolarHBondContact O-CB 3.36Å; L1257-L1261 WeakPolarHBondContact O-CG 3.28Å; L1257-L1261 PolarHBondContact O-N 2.9Å; L1257-F1341 HydrophobicContact CD1-CZ 3.98Å; L1257-V1406 HydrophobicContact CD2-CG1 4.17Å; L1257-V1406 HydrophobicContact CD2-CG2 4.12Å |
| 1258 | M | 90.9 | Very high | 85.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 177.5 | -70.4 | -173.9 | -69.8 | 0 | 0 | 111.9 | C1254 L1255 S1262 Y1270 I1272 V1285 P1291 R1297 I1300 L1301 | C1254-M1258 HydrophobicContact CB-CE 4.44Å; C1254-M1258 VanDerWaalsContact O-CG 3.31Å; C1254-M1258 WeakPolarHBondContact O-CG 3.25Å; C1254-M1258 PolarHBondContact O-N 3.44Å; L1255-M1258 PolarHBondContact O-N 2.88Å; M1258-S1262 WeakPolarHBondContact O-CB 3.38Å; M1258-S1262 PolarHBondContact O-N 3.44Å; M1258-Y1270 HydrophobicContact CG-CE2 4.16Å; M1258-I1272 HydrophobicContact CG-CD1 3.77Å; M1258-I1272 HydrophobicContact SD-CD1 4.15Å; M1258-V1285 HydrophobicContact SD-CG2 3.82Å; M1258-P1291 HydrophobicContact CG-CG 4.46Å; M1258-P1291 HydrophobicContact SD-CG 3.69Å; M1258-R1297 HydrophobicContact CE-CB 4.35Å; M1258-I1300 HydrophobicContact SD-CD1 4.09Å; M1258-L1301 HydrophobicContact CE-CD2 4.3Å |
| 1259 | E | 88.4 | Confident | 85.2 | Confident | 24 Ų | 24 | 29.8 Ų | 29.8 | 11% | 0.112 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73.1 | -37.6 | 178.5 | -78.1 | -70.4 | 169.9 | 0 | 0 | 113.3 | Y1151 M1155 V1162 K1166 L1255 L1257 R1297 | Y1151-E1259 PolarHBondContact OH-OE1 3.01Å; M1155-E1259 HydrophobicContact CE-CG 4.08Å; M1155-E1259 HydrophobicContact SD-CG 4.27Å; V1162-E1259 HydrophobicContact CG1-CB 3.76Å; V1162-E1259 HydrophobicContact CG2-CB 3.87Å; K1166-E1259 WeakPolarHBondContact CE-O 3.38Å; K1166-E1259 PolarHBondContact NZ-O 3.45Å; L1255-E1259 HydrophobicContact CD1-CG 4.28Å; L1255-E1259 WeakPolarHBondContact O-CB 3.31Å; L1255-E1259 PolarHBondContact O-N 2.95Å; L1257-E1259 VanDerWaalsContact C-N 3.33Å; L1257-E1259 PolarHBondContact O-N 2.91Å; E1259-R1297 WeakPolarHBondContact OE1-CD 3.22Å; E1259-R1297 IonicContact OE1-CZ 3.43Å; E1259-R1297 IonicContact OE1-NE 3.29Å; E1259-R1297 IonicContact OE1-NH1 2.88Å; E1259-R1297 PolarHBondContact OE1-NH1 3.25Å; E1259-R1297 IonicContact OE2-NH1 2.78Å |
| 1260 | A | 87 | Confident | 85.3 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.017 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.9 | -35.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1162 L1165 M1256 L1257 F1264 | V1162-A1260 HydrophobicContact CG1-CB 4.36Å; L1165-A1260 HydrophobicContact CB-CB 3.73Å; L1165-A1260 HydrophobicContact CD1-CB 4.35Å; M1256-A1260 WeakPolarHBondContact O-CB 3.25Å; M1256-A1260 PolarHBondContact O-N 3.43Å; L1257-A1260 PolarHBondContact O-N 3.34Å; A1260-F1264 VanDerWaalsContact O-CD2 3.26Å; A1260-F1264 WeakPolarHBondContact O-CD2 3.24Å; A1260-F1264 WeakPolarHBondContact O-CE2 3.47Å |
| 1261 | L | 85.5 | Confident | 85.5 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -88.4 | -21.5 | -176.4 | -65.1 | 173.6 | 0 | 0 | 0 | 114 | L1227 L1257 P1263 F1264 V1265 I1268 Y1270 | L1227-L1261 HydrophobicContact CD2-CD1 3.76Å; L1257-L1261 HydrophobicContact CB-CD1 4.5Å; L1257-L1261 VanDerWaalsContact O-CB 3.27Å; L1257-L1261 WeakPolarHBondContact O-CB 3.36Å; L1257-L1261 WeakPolarHBondContact O-CG 3.28Å; L1257-L1261 PolarHBondContact O-N 2.9Å; L1261-P1263 VanDerWaalsContact C-CD 3.48Å; L1261-P1263 VanDerWaalsContact C-N 3.33Å; L1261-F1264 PolarHBondContact O-N 3.01Å; L1261-V1265 PolarHBondContact O-N 3.23Å; L1261-I1268 HydrophobicContact CD2-CD1 4.5Å; L1261-Y1270 HydrophobicContact CB-CD1 3.71Å; L1261-Y1270 HydrophobicContact CB-CE1 3.72Å; L1261-Y1270 HydrophobicContact CB-CG 4.48Å; L1261-Y1270 HydrophobicContact CD1-CD1 3.91Å; L1261-Y1270 HydrophobicContact CD1-CD2 4.41Å; L1261-Y1270 HydrophobicContact CD1-CG 3.86Å; L1261-Y1270 HydrophobicContact CG-CD1 4.47Å |
| 1262 | S | 82.4 | Confident | 85.7 | Confident | 51 Ų | 51 | 27.6 Ų | 27.6 | 36% | 0.357 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -42.4 | -47.6 | 176.3 | 152.6 | 0 | 0 | 0 | 0 | 114.8 | M1258 F1264 V1265 | M1258-S1262 WeakPolarHBondContact O-CB 3.38Å; M1258-S1262 PolarHBondContact O-N 3.44Å; S1262-F1264 VanDerWaalsContact C-N 3.25Å; S1262-F1264 PolarHBondContact O-N 2.98Å; S1262-V1265 WeakPolarHBondContact O-CG2 3.35Å |
| 1263 | P | 79.5 | Confident | 85.8 | Confident | 74 Ų | 74 | 27.2 Ų | 27.2 | 48% | 0.481 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -78 | -1.6 | 179.8 | 27.3 | -32.5 | 0 | 0 | 0 | 114.8 | L1261 | L1261-P1263 VanDerWaalsContact C-CD 3.48Å; L1261-P1263 VanDerWaalsContact C-N 3.33Å |
| 1264 | F | 80.4 | Confident | 85.9 | Confident | 15 Ų | 15 | 27.1 Ų | 27.1 | 7% | 0.066 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -122.3 | 17.7 | -174 | -52.9 | -72.2 | 0 | 0 | 0 | 114 | K1166 M1169 Q1170 A1260 L1261 S1262 D1266 R1267 I1268 | K1166-F1264 HydrophobicContact CB-CE2 4.43Å; K1166-F1264 HydrophobicContact CG-CE2 4.25Å; M1169-F1264 HydrophobicContact CB-CD1 4.38Å; M1169-F1264 HydrophobicContact CB-CD2 3.8Å; M1169-F1264 HydrophobicContact CB-CE1 4.03Å; M1169-F1264 HydrophobicContact CB-CE2 3.4Å; M1169-F1264 VanDerWaalsContact CB-CE2 3.4Å; M1169-F1264 HydrophobicContact CB-CG 4.28Å; M1169-F1264 HydrophobicContact CB-CZ 3.53Å; M1169-F1264 HydrophobicContact CE-CB 4.48Å; M1169-F1264 HydrophobicContact CE-CG 4.43Å; M1169-F1264 HydrophobicContact CG-CD2 4.07Å; M1169-F1264 HydrophobicContact CG-CE2 3.99Å; Q1170-F1264 HydrophobicContact CG-CE1 4.21Å; Q1170-F1264 HydrophobicContact CG-CZ 4.02Å; A1260-F1264 VanDerWaalsContact O-CD2 3.26Å; A1260-F1264 WeakPolarHBondContact O-CD2 3.24Å; A1260-F1264 WeakPolarHBondContact O-CE2 3.47Å; L1261-F1264 PolarHBondContact O-N 3.01Å; S1262-F1264 VanDerWaalsContact C-N 3.25Å; S1262-F1264 PolarHBondContact O-N 2.98Å; F1264-D1266 PolarHBondContact O-N 2.88Å; F1264-R1267 PolarHBondContact O-N 3.11Å; F1264-I1268 PolarHBondContact O-N 2.85Å |
| 1265 | V | 75.7 | Confident | 86 | Confident | 36 Ų | 36 | 27.1 Ų | 27.1 | 22% | 0.218 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -34.6 | -175.4 | 176.5 | 0 | 0 | 0 | 0 | 112.8 | L1261 S1262 R1267 I1268 Y1270 | L1261-V1265 PolarHBondContact O-N 3.23Å; S1262-V1265 WeakPolarHBondContact O-CG2 3.35Å; V1265-R1267 PolarHBondContact O-N 3.38Å; V1265-R1267 VanDerWaalsContact O-N 3.15Å; V1265-I1268 WeakPolarHBondContact CA-O 3.28Å; V1265-I1268 CarbonylContact O-C 2.89Å; V1265-I1268 PolarHBondContact O-N 3.04Å; V1265-Y1270 HydrophobicContact CG2-CE1 4.47Å |
| 1266 | D | 71.5 | Confident | 85.8 | Confident | 152 Ų | 152 | 27.2 Ų | 27.2 | 81% | 0.813 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21 | 177.6 | -61.8 | -26 | 0 | 0 | 0 | 113.5 | F1264 | F1264-D1266 PolarHBondContact O-N 2.88Š|
| 1267 | R | 71.8 | Confident | 85.4 | Confident | 106 Ų | 106 | 28.1 Ų | 28.1 | 40% | 0.4 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -30.8 | 178 | -64.4 | -165.3 | -171 | -152.4 | 2.9 | 113.4 | Q1221 P1224 K1225 F1264 V1265 | Q1221-R1267 PolarHBondContact NE2-O 2.92Å; P1224-R1267 CarbonylContact C-O 3.55Å; P1224-R1267 WeakPolarHBondContact CA-O 3.33Å; K1225-R1267 PolarHBondContact N-O 3.4Å; F1264-R1267 PolarHBondContact O-N 3.11Å; V1265-R1267 PolarHBondContact O-N 3.38Å; V1265-R1267 VanDerWaalsContact O-N 3.15Å |
| 1268 | I | 80.1 | Confident | 84.8 | Confident | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 103.9 | 177.6 | -56.5 | -168.9 | 0 | 0 | 0 | 108.9 | M1169 K1225 L1227 L1261 F1264 V1265 Y1270 L1410 | M1169-I1268 HydrophobicContact CE-CD1 3.36Å; M1169-I1268 HydrophobicContact CE-CG1 4.22Å; M1169-I1268 HydrophobicContact SD-CD1 4.37Å; K1225-I1268 HydrophobicContact CB-CG1 4.4Å; K1225-I1268 CarbonylContact O-C 3.56Å; K1225-I1268 WeakPolarHBondContact O-CA 3.22Å; L1227-I1268 HydrophobicContact CB-CG2 3.73Å; L1227-I1268 HydrophobicContact CD2-CG2 4.23Å; L1261-I1268 HydrophobicContact CD2-CD1 4.5Å; F1264-I1268 PolarHBondContact O-N 2.85Å; V1265-I1268 WeakPolarHBondContact CA-O 3.28Å; V1265-I1268 CarbonylContact O-C 2.89Å; V1265-I1268 PolarHBondContact O-N 3.04Å; I1268-Y1270 PolarHBondContact O-N 3.4Å; I1268-L1410 HydrophobicContact CD1-CD2 4.49Å |
| 1269 | Q | 85.8 | Confident | 84.6 | Confident | 75 Ų | 75 | 36.4 Ų | 36.4 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 114.1 | 171.8 | -78.9 | -178.3 | -6.9 | 0 | 0 | 109.3 | P1224 K1225 R1226 L1227 L1287 | P1224-Q1269 HydrophobicContact CB-CB 4.38Å; P1224-Q1269 HydrophobicContact CB-CG 3.79Å; P1224-Q1269 VanDerWaalsContact CG-CD 3.41Å; P1224-Q1269 HydrophobicContact CG-CG 3.82Å; K1225-Q1269 PolarHBondContact O-N 3.44Å; R1226-Q1269 PolarHBondContact NH1-O 3.17Å; L1227-Q1269 PolarHBondContact N-O 3.17Å; Q1269-L1287 HydrophobicContact CB-CD2 3.85Å; Q1269-L1287 HydrophobicContact CG-CD2 4.5Å |
| 1270 | Y | 91.3 | Very high | 84.5 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 148.3 | -178.7 | 82.3 | -85.8 | 0 | 0 | 0 | 114.2 | L1227 M1258 L1261 V1265 I1268 I1272 V1285 Q1290 | L1227-Y1270 WeakPolarHBondContact O-CA 3.5Å; L1227-Y1270 WeakPolarHBondContact O-CB 3.32Å; M1258-Y1270 HydrophobicContact CG-CE2 4.16Å; L1261-Y1270 HydrophobicContact CB-CD1 3.71Å; L1261-Y1270 HydrophobicContact CB-CE1 3.72Å; L1261-Y1270 HydrophobicContact CB-CG 4.48Å; L1261-Y1270 HydrophobicContact CD1-CD1 3.91Å; L1261-Y1270 HydrophobicContact CD1-CD2 4.41Å; L1261-Y1270 HydrophobicContact CD1-CG 3.86Å; L1261-Y1270 HydrophobicContact CG-CD1 4.47Å; V1265-Y1270 HydrophobicContact CG2-CE1 4.47Å; I1268-Y1270 PolarHBondContact O-N 3.4Å; Y1270-I1272 HydrophobicContact CD2-CG1 4.26Å; Y1270-I1272 HydrophobicContact CE2-CD1 4.36Å; Y1270-I1272 HydrophobicContact CE2-CG1 4.37Å; Y1270-V1285 HydrophobicContact CE2-CG1 4.14Å; Y1270-Q1290 PolarHBondContact O-NE2 3.22Å |
| 1271 | D | 93.1 | Very high | 84.6 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.043 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 155.5 | 169.7 | 63 | -27.7 | 0 | 0 | 0 | 110.3 | R1226 L1227 R1228 V1229 V1285 | R1226-D1271 IonicContact CZ-OD1 3.87Å; R1226-D1271 VanDerWaalsContact CZ-OD1 3.31Å; R1226-D1271 IonicContact CZ-OD2 3.95Å; R1226-D1271 IonicContact NH1-OD1 2.95Å; R1226-D1271 PolarHBondContact NH1-OD1 3.23Å; R1226-D1271 IonicContact NH1-OD2 2.99Å; R1226-D1271 IonicContact NH2-OD1 3.88Å; R1226-D1271 PolarHBondContact NH2-OD1 2.87Å; R1226-D1271 VanDerWaalsContact NH2-OD1 3.08Å; R1226-D1271 IonicContact NH2-OD2 3.3Å; R1226-D1271 PolarHBondContact NH2-OD2 2.72Å; L1227-D1271 PolarHBondContact O-N 3.07Å; R1228-D1271 WeakPolarHBondContact CA-OD1 3.23Å; R1228-D1271 WeakPolarHBondContact CB-OD1 3.28Å; R1228-D1271 WeakPolarHBondContact CG-OD1 3.42Å; R1228-D1271 IonicContact CZ-OD2 2.73Å; R1228-D1271 VanDerWaalsContact CZ-OD2 3.23Å; R1228-D1271 IonicContact NE-OD1 3.14Å; R1228-D1271 PolarHBondContact NE-OD1 3.22Å; R1228-D1271 IonicContact NE-OD2 3.42Å; R1228-D1271 PolarHBondContact NE-OD2 3.09Å; R1228-D1271 IonicContact NH2-OD2 3.74Å; R1228-D1271 PolarHBondContact NH2-OD2 3.32Å; V1229-D1271 PolarHBondContact N-O 3.37Å; D1271-V1285 WeakPolarHBondContact CA-O 3.42Å; D1271-V1285 VanDerWaalsContact CB-O 3.29Å; D1271-V1285 WeakPolarHBondContact CB-O 3.49Å |
| 1272 | I | 94.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122.5 | -179 | -52.7 | -177.9 | 0 | 0 | 0 | 107.9 | V1229 V1231 C1254 M1258 Y1270 L1284 V1285 | V1229-I1272 HydrophobicContact CB-CG1 4.31Å; V1229-I1272 HydrophobicContact CB-CG2 4.41Å; V1229-I1272 WeakPolarHBondContact O-CA 3.47Å; V1231-I1272 HydrophobicContact CG2-CG2 3.62Å; C1254-I1272 HydrophobicContact CB-CD1 4.49Å; M1258-I1272 HydrophobicContact CG-CD1 3.77Å; M1258-I1272 HydrophobicContact SD-CD1 4.15Å; Y1270-I1272 HydrophobicContact CD2-CG1 4.26Å; Y1270-I1272 HydrophobicContact CE2-CD1 4.36Å; Y1270-I1272 HydrophobicContact CE2-CG1 4.37Å; I1272-L1284 HydrophobicContact CB-CB 4.31Å; I1272-L1284 HydrophobicContact CG2-CB 4.19Å; I1272-L1284 HydrophobicContact CG2-CD1 4.03Å; I1272-L1284 WeakPolarHBondContact O-CB 3.28Å; I1272-L1284 PolarHBondContact O-N 3.42Å; I1272-V1285 HydrophobicContact CB-CB 3.96Å; I1272-V1285 HydrophobicContact CB-CG2 4.12Å; I1272-V1285 HydrophobicContact CD1-CB 4.48Å; I1272-V1285 HydrophobicContact CD1-CG2 4Å; I1272-V1285 HydrophobicContact CG1-CB 4.06Å; I1272-V1285 HydrophobicContact CG1-CG2 4.12Å; I1272-V1285 PolarHBondContact N-O 3.05Å; I1272-V1285 PolarHBondContact O-N 2.78Å |
| 1273 | I | 93.7 | Very high | 85.1 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.2 | -178.1 | -57.9 | -176.9 | 0 | 0 | 0 | 108.1 | R1228 V1229 L1230 V1231 H1281 I1282 | R1228-I1273 HydrophobicContact CG-CD1 4.26Å; R1228-I1273 VanDerWaalsContact CZ-CD1 3.44Å; V1229-I1273 PolarHBondContact O-N 3.47Å; L1230-I1273 CarbonylContact C-O 3.54Å; L1230-I1273 WeakPolarHBondContact CA-O 3.49Å; L1230-I1273 HydrophobicContact CD1-CB 4.13Å; L1230-I1273 HydrophobicContact CD1-CG2 3.99Å; V1231-I1273 PolarHBondContact N-O 2.78Å; I1273-H1281 WeakPolarHBondContact CD1-NE2 3.22Å; I1273-I1282 CarbonylContact C-O 3.54Å; I1273-I1282 WeakPolarHBondContact CA-O 3.21Å |
| 1274 | G | 91.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 153.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1231 I1282 | V1231-G1274 CarbonylContact O-C 3.47Å; V1231-G1274 VanDerWaalsContact O-CA 3.24Å; V1231-G1274 WeakPolarHBondContact O-CA 3.29Å; G1274-I1282 PolarHBondContact N-O 2.84Å; G1274-I1282 WeakPolarHBondContact O-CB 3.44Å; G1274-I1282 PolarHBondContact O-N 2.96Å |
| 1275 | H | 92.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 157 | 163.7 | 70.7 | -67.2 | 0 | 0 | 0 | 110.6 | L1230 V1231 D1232 V1233 Q1279 T1317 A1320 | L1230-H1275 HydrophobicContact CD1-CB 4.48Å; V1231-H1275 PolarHBondContact O-N 3.01Å; V1231-H1275 PolarHBondContact O-ND1 3.16Å; D1232-H1275 VanDerWaalsContact CA-CE1 3.42Å; D1232-H1275 WeakPolarHBondContact CA-CE1 3.26Å; V1233-H1275 VanDerWaalsContact CG2-O 3.23Å; V1233-H1275 WeakPolarHBondContact CG2-O 3.3Å; V1233-H1275 PolarHBondContact N-O 2.89Å; H1275-Q1279 WeakPolarHBondContact CA-O 3.44Å; H1275-T1317 PolarHBondContact NE2-OG1 3.35Å; H1275-A1320 HydrophobicContact CB-CB 3.68Å |
| 1276 | S | 88.7 | Confident | 86.7 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | trans | -150.2 | -177.3 | -177.9 | 62.8 | 0 | 0 | 0 | 0 | 110.2 | E1278 Q1279 H1307 S1316 | S1276-E1278 PolarHBondContact O-N 3.45Å; S1276-Q1279 PolarHBondContact N-O 3.02Å; S1276-Q1279 PolarHBondContact OG-N 2.94Å; S1276-H1307 PolarHBondContact OG-NE2 3.02Å; S1276-H1307 VanDerWaalsContact OG-NE2 3.09Å; S1276-S1316 VanDerWaalsContact O-CB 3.28Å; S1276-S1316 WeakPolarHBondContact O-CB 3.28Å; S1276-S1316 PolarHBondContact O-OG 2.89Å | ||
| 1277 | G | 79.2 | Confident | 87.3 | Confident | 20 Ų | 20 | 34 Ų | 34 | 21% | 0.206 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -66.7 | -17.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1314 | G1277-G1314 VanDerWaalsContact CA-CA 3.47Å; G1277-G1314 WeakPolarHBondContact CA-O 3.49Å |
| 1278 | E | 78.2 | Confident | 87.6 | Confident | 98 Ų | 98 | 35.8 Ų | 35.8 | 46% | 0.458 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -100.6 | -32.4 | -177.6 | -172.4 | -179.4 | 163.6 | 0 | 0 | 112.9 | S1276 Y1312 | S1276-E1278 PolarHBondContact O-N 3.45Å; E1278-Y1312 HydrophobicContact CG-CD2 4.35Å |
| 1279 | Q | 84.7 | Confident | 87.7 | Confident | 80 Ų | 80 | 42.3 Ų | 42.3 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | trans | -138.1 | 134.3 | -173.3 | -62.9 | -177.8 | 11.3 | 0 | 0 | 110.7 | H1275 S1276 I1282 | H1275-Q1279 WeakPolarHBondContact CA-O 3.44Å; S1276-Q1279 PolarHBondContact N-O 3.02Å; S1276-Q1279 PolarHBondContact OG-N 2.94Å; Q1279-I1282 HydrophobicContact CB-CD1 4.29Å; Q1279-I1282 HydrophobicContact CB-CG1 3.95Å | ||
| 1280 | D | 87 | Confident | 87.6 | Confident | 41 Ų | 41 | 40 Ų | 40 | 22% | 0.219 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -88.7 | -4.3 | 176.6 | 71.5 | 1.2 | 0 | 0 | 0 | 113.9 | S1319 A1320 K1323 | D1280-S1319 PolarHBondContact OD2-OG 2.93Å; D1280-A1320 HydrophobicContact CB-CB 4.17Å; D1280-A1320 WeakPolarHBondContact O-CA 3.41Å; D1280-A1320 WeakPolarHBondContact O-CB 3.42Å; D1280-K1323 IonicContact OD1-NZ 2.74Å; D1280-K1323 PolarHBondContact OD1-NZ 2.94Å |
| 1281 | H | 89.3 | Confident | 87.4 | Confident | 44 Ų | 44 | 40.2 Ų | 40.2 | 20% | 0.204 | 21% | 0.208 | C | C | . | . | trans | -154.9 | 98 | -173.6 | -168.3 | -73.3 | 0 | 0 | 0 | 112.9 | I1273 N1283 K1323 E1327 | I1273-H1281 WeakPolarHBondContact CD1-NE2 3.22Å; H1281-N1283 PolarHBondContact CE1-OD1 3Å; H1281-K1323 HydrophobicContact CB-CD 4.27Å; H1281-E1327 IonicContact CD2-OE1 3.7Å; H1281-E1327 IonicContact NE2-OE1 3.23Å; H1281-E1327 IonicContact NE2-OE2 2.71Å | ||
| 1282 | I | 89.2 | Confident | 86.8 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 114.4 | -179.9 | -56.3 | 156.6 | 0 | 0 | 0 | 108.3 | V1233 I1273 G1274 Q1279 L1284 Y1303 H1307 | V1233-I1282 HydrophobicContact CG2-CD1 3.68Å; I1273-I1282 CarbonylContact C-O 3.54Å; I1273-I1282 WeakPolarHBondContact CA-O 3.21Å; G1274-I1282 PolarHBondContact N-O 2.84Å; G1274-I1282 WeakPolarHBondContact O-CB 3.44Å; G1274-I1282 PolarHBondContact O-N 2.96Å; Q1279-I1282 HydrophobicContact CB-CD1 4.29Å; Q1279-I1282 HydrophobicContact CB-CG1 3.95Å; I1282-L1284 HydrophobicContact CG2-CD2 4.25Å; I1282-L1284 PolarHBondContact O-N 3.29Å; I1282-L1284 VanDerWaalsContact O-N 3.13Å; I1282-Y1303 HydrophobicContact CG2-CE1 3.71Å; I1282-H1307 WeakPolarHBondContact CD1-NE2 3.42Å |
| 1283 | N | 89.1 | Confident | 86.2 | Confident | 97 Ų | 97 | 49 Ų | 49 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 107.1 | 179.7 | -74.9 | -25.2 | 0 | 0 | 0 | 110.7 | H1281 T1286 | H1281-N1283 PolarHBondContact CE1-OD1 3Å; N1283-T1286 HydrophobicContact CB-CG2 3.82Å |
| 1284 | L | 90.9 | Very high | 85.7 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 9% | 0.089 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -46.6 | 174.1 | -61.7 | 175.8 | 0 | 0 | 0 | 110.8 | I1272 I1282 I1300 Y1303 M1304 | I1272-L1284 HydrophobicContact CB-CB 4.31Å; I1272-L1284 HydrophobicContact CG2-CB 4.19Å; I1272-L1284 HydrophobicContact CG2-CD1 4.03Å; I1272-L1284 WeakPolarHBondContact O-CB 3.28Å; I1272-L1284 PolarHBondContact O-N 3.42Å; I1282-L1284 HydrophobicContact CG2-CD2 4.25Å; I1282-L1284 PolarHBondContact O-N 3.29Å; I1282-L1284 VanDerWaalsContact O-N 3.13Å; L1284-I1300 HydrophobicContact CB-CG2 4.04Å; L1284-Y1303 HydrophobicContact CD2-CD1 3.6Å; L1284-Y1303 HydrophobicContact CD2-CE1 4.06Å; L1284-M1304 HydrophobicContact CD1-CG 3.8Å; L1284-M1304 HydrophobicContact CD1-SD 4.19Å; L1284-M1304 HydrophobicContact CD2-CG 4.01Å |
| 1285 | V | 91.3 | Very high | 85.2 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 124.8 | 172.6 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | M1258 Y1270 D1271 I1272 Q1290 P1291 I1300 | M1258-V1285 HydrophobicContact SD-CG2 3.82Å; Y1270-V1285 HydrophobicContact CE2-CG1 4.14Å; D1271-V1285 WeakPolarHBondContact CA-O 3.42Å; D1271-V1285 VanDerWaalsContact CB-O 3.29Å; D1271-V1285 WeakPolarHBondContact CB-O 3.49Å; I1272-V1285 HydrophobicContact CB-CB 3.96Å; I1272-V1285 HydrophobicContact CB-CG2 4.12Å; I1272-V1285 HydrophobicContact CD1-CB 4.48Å; I1272-V1285 HydrophobicContact CD1-CG2 4Å; I1272-V1285 HydrophobicContact CG1-CB 4.06Å; I1272-V1285 HydrophobicContact CG1-CG2 4.12Å; I1272-V1285 PolarHBondContact N-O 3.05Å; I1272-V1285 PolarHBondContact O-N 2.78Å; V1285-Q1290 HydrophobicContact CG1-CG 4.28Å; V1285-P1291 HydrophobicContact CG2-CG 4.43Å; V1285-I1300 HydrophobicContact CG2-CD1 3.66Å |
| 1286 | T | 88.2 | Confident | 85 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 24% | 0.239 | 29% | 0.294 | C | S | . | . | trans | -104.6 | 160.5 | 174.3 | 62.4 | 0 | 0 | 0 | 0 | 110.4 | N1283 D1288 H1289 | N1283-T1286 HydrophobicContact CB-CG2 3.82Å; T1286-D1288 PolarHBondContact O-N 3.48Å; T1286-H1289 CarbonylContact O-C 3.6Å; T1286-H1289 PolarHBondContact O-N 3.26Å; T1286-H1289 PolarHBondContact OG1-N 3.46Å | ||
| 1287 | L | 82.6 | Confident | 85.1 | Confident | 65 Ų | 65 | 58.1 Ų | 58.1 | 34% | 0.34 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -57.7 | -39 | 176.5 | -73.1 | 177.7 | 0 | 0 | 0 | 112.7 | R1226 Q1269 | R1226-L1287 VanDerWaalsContact CZ-CD2 3.49Å; Q1269-L1287 HydrophobicContact CB-CD2 3.85Å; Q1269-L1287 HydrophobicContact CG-CD2 4.5Å |
| 1288 | D | 78.3 | Confident | 85.5 | Confident | 144 Ų | 144 | 57.2 Ų | 57.2 | 77% | 0.77 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -78 | -22.8 | -176.3 | -52.3 | -39.8 | 0 | 0 | 0 | 112.5 | T1286 | T1286-D1288 PolarHBondContact O-N 3.48Š|
| 1289 | H | 82.3 | Confident | 86 | Confident | 146 Ų | 146 | 55.8 Ų | 55.8 | 68% | 0.676 | 28% | 0.283 | S | S | * | . | trans | -132.5 | 69.2 | -174.4 | -62.8 | 81.3 | 0 | 0 | 0 | 111 | T1286 | T1286-H1289 CarbonylContact O-C 3.6Å; T1286-H1289 PolarHBondContact O-N 3.26Å; T1286-H1289 PolarHBondContact OG1-N 3.46Å | ||
| 1290 | Q | 83.9 | Confident | 86.3 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | trans | -78.5 | 139.9 | 171.7 | -66.9 | -176.3 | -10 | 0 | 0 | 111.1 | Y1270 V1285 Q1292 | Y1270-Q1290 PolarHBondContact O-NE2 3.22Å; V1285-Q1290 HydrophobicContact CG1-CG 4.28Å; Q1290-Q1292 PolarHBondContact O-N 2.99Å; Q1290-Q1292 PolarHBondContact O-NE2 3.28Å | ||
| 1291 | P | 86.8 | Confident | 86.6 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 5% | 0.045 | 26% | 0.261 | C | S | . | . | trans | -71.4 | 117.1 | -175.3 | 29.1 | -35.4 | 0 | 0 | 0 | 111.6 | M1258 V1285 E1296 R1297 I1300 | M1258-P1291 HydrophobicContact CG-CG 4.46Å; M1258-P1291 HydrophobicContact SD-CG 3.69Å; V1285-P1291 HydrophobicContact CG2-CG 4.43Å; P1291-E1296 WeakPolarHBondContact CA-OE2 3.39Å; P1291-E1296 HydrophobicContact CB-CB 3.74Å; P1291-R1297 HydrophobicContact CB-CG 3.7Å; P1291-R1297 HydrophobicContact CG-CG 3.89Å; P1291-R1297 PolarHBondContact O-NH2 3.31Å; P1291-I1300 HydrophobicContact CB-CD1 3.78Å; P1291-I1300 HydrophobicContact CG-CD1 3.74Å | ||
| 1292 | Q | 80.4 | Confident | 86.6 | Confident | 134 Ų | 134 | 52.8 Ų | 52.8 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | trans | -88.3 | -31.2 | -173 | -60.6 | -56.3 | -36.4 | 0 | 0 | 112.5 | Q1290 E1296 R1297 | Q1290-Q1292 PolarHBondContact O-N 2.99Å; Q1290-Q1292 PolarHBondContact O-NE2 3.28Å; Q1292-E1296 PolarHBondContact N-OE2 3.48Å; Q1292-R1297 PolarHBondContact O-NH2 3.09Å; Q1292-R1297 VanDerWaalsContact O-NH2 3.08Å | ||
| 1293 | N | 81.7 | Confident | 86.6 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 32% | 0.316 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -122 | 161.3 | -175.6 | 59.9 | 54.5 | 0 | 0 | 0 | 112.4 | K1295 E1296 R1297 | N1293-K1295 PolarHBondContact O-N 3.48Å; N1293-K1295 WeakPolarHBondContact OD1-CB 3.49Å; N1293-K1295 PolarHBondContact OD1-N 2.88Å; N1293-E1296 VanDerWaalsContact ND2-CD 3.3Å; N1293-E1296 PolarHBondContact ND2-OE1 3.09Å; N1293-E1296 PolarHBondContact O-N 3.43Å; N1293-E1296 WeakPolarHBondContact OD1-CG 3.42Å; N1293-E1296 PolarHBondContact OD1-N 3.36Å; N1293-R1297 PolarHBondContact O-N 3.5Å |
| 1294 | P | 83.8 | Confident | 86.8 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -53.5 | -33.7 | 177.3 | -32.2 | 39 | 0 | 0 | 0 | 114.4 | Y1151 R1297 L1298 | Y1151-P1294 HydrophobicContact CD1-CB 3.95Å; Y1151-P1294 HydrophobicContact CD2-CB 4.33Å; Y1151-P1294 WeakPolarHBondContact CD2-O 3.5Å; Y1151-P1294 HydrophobicContact CE1-CB 3.65Å; Y1151-P1294 HydrophobicContact CE1-CG 4.19Å; Y1151-P1294 HydrophobicContact CE2-CB 4.04Å; Y1151-P1294 WeakPolarHBondContact CE2-O 3.36Å; Y1151-P1294 HydrophobicContact CG-CB 4.26Å; P1294-R1297 PolarHBondContact O-N 3.36Å; P1294-L1298 WeakPolarHBondContact O-CB 3.29Å; P1294-L1298 PolarHBondContact O-N 3.03Å |
| 1295 | K | 81.5 | Confident | 86.6 | Confident | 46 Ų | 46 | 54.7 Ų | 54.7 | 20% | 0.2 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65 | -51.3 | 179.9 | -170.5 | -174.6 | 172.7 | -174.7 | 0 | 111.7 | R1142 M1143 N1293 R1297 L1298 D1299 | R1142-K1295 HydrophobicContact CB-CD 3.98Å; R1142-K1295 VanDerWaalsContact CB-NZ 3.32Å; R1142-K1295 WeakPolarHBondContact O-CD 3.36Å; R1142-K1295 WeakPolarHBondContact O-CE 3.41Å; R1142-K1295 PolarHBondContact O-NZ 2.83Å; M1143-K1295 HydrophobicContact CG-CB 3.54Å; M1143-K1295 HydrophobicContact CG-CD 3.79Å; M1143-K1295 HydrophobicContact CG-CG 3.52Å; M1143-K1295 HydrophobicContact SD-CB 3.72Å; M1143-K1295 HydrophobicContact SD-CG 4.31Å; N1293-K1295 PolarHBondContact O-N 3.48Å; N1293-K1295 WeakPolarHBondContact OD1-CB 3.49Å; N1293-K1295 PolarHBondContact OD1-N 2.88Å; K1295-R1297 VanDerWaalsContact C-N 3.25Å; K1295-R1297 PolarHBondContact O-N 3.26Å; K1295-L1298 CarbonylContact O-C 3.6Å; K1295-L1298 WeakPolarHBondContact O-CA 3.5Å; K1295-L1298 WeakPolarHBondContact O-CB 3.2Å; K1295-L1298 PolarHBondContact O-N 3.05Å; K1295-D1299 WeakPolarHBondContact CE-OD2 3.22Å; K1295-D1299 PolarHBondContact O-N 2.73Å |
| 1296 | E | 87.2 | Confident | 86.4 | Confident | 80 Ų | 80 | 56.5 Ų | 56.5 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 179.1 | -74.7 | 162.9 | -158.7 | 0 | 0 | 110.9 | P1291 Q1292 N1293 D1299 I1300 | P1291-E1296 WeakPolarHBondContact CA-OE2 3.39Å; P1291-E1296 HydrophobicContact CB-CB 3.74Å; Q1292-E1296 PolarHBondContact N-OE2 3.48Å; N1293-E1296 VanDerWaalsContact ND2-CD 3.3Å; N1293-E1296 PolarHBondContact ND2-OE1 3.09Å; N1293-E1296 PolarHBondContact O-N 3.43Å; N1293-E1296 WeakPolarHBondContact OD1-CG 3.42Å; N1293-E1296 PolarHBondContact OD1-N 3.36Å; E1296-D1299 PolarHBondContact O-N 3.13Å; E1296-I1300 WeakPolarHBondContact O-CD1 3.36Å; E1296-I1300 VanDerWaalsContact O-CG1 3.29Å; E1296-I1300 WeakPolarHBondContact O-CG1 3.25Å; E1296-I1300 PolarHBondContact O-N 2.79Å; E1296-I1300 VanDerWaalsContact O-N 3.09Å |
| 1297 | R | 90.8 | Very high | 86.3 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 6% | 0.057 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 172.9 | -64.6 | 179.3 | -169.3 | 116.9 | 18.9 | 111 | Y1151 L1255 M1258 E1259 P1291 Q1292 N1293 P1294 K1295 I1300 L1301 | Y1151-R1297 HydrophobicContact CE2-CB 3.89Å; Y1151-R1297 WeakPolarHBondContact OH-CD 3.28Å; L1255-R1297 HydrophobicContact CD1-CB 4.2Å; M1258-R1297 HydrophobicContact CE-CB 4.35Å; E1259-R1297 WeakPolarHBondContact OE1-CD 3.22Å; E1259-R1297 IonicContact OE1-CZ 3.43Å; E1259-R1297 IonicContact OE1-NE 3.29Å; E1259-R1297 IonicContact OE1-NH1 2.88Å; E1259-R1297 PolarHBondContact OE1-NH1 3.25Å; E1259-R1297 IonicContact OE2-NH1 2.78Å; P1291-R1297 HydrophobicContact CB-CG 3.7Å; P1291-R1297 HydrophobicContact CG-CG 3.89Å; P1291-R1297 PolarHBondContact O-NH2 3.31Å; Q1292-R1297 PolarHBondContact O-NH2 3.09Å; Q1292-R1297 VanDerWaalsContact O-NH2 3.08Å; N1293-R1297 PolarHBondContact O-N 3.5Å; P1294-R1297 PolarHBondContact O-N 3.36Å; K1295-R1297 VanDerWaalsContact C-N 3.25Å; K1295-R1297 PolarHBondContact O-N 3.26Å; R1297-I1300 PolarHBondContact O-N 3.29Å; R1297-L1301 WeakPolarHBondContact O-CG 3.47Å; R1297-L1301 PolarHBondContact O-N 3.02Å |
| 1298 | L | 89.1 | Confident | 86.4 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 177.7 | -173.3 | 67.2 | 0 | 0 | 0 | 112.6 | D1147 T1150 Y1151 P1294 K1295 I1300 L1301 K1302 | D1147-L1298 HydrophobicContact CB-CD2 3.56Å; D1147-L1298 VanDerWaalsContact O-CD2 3.23Å; D1147-L1298 WeakPolarHBondContact O-CD2 3.13Å; T1150-L1298 HydrophobicContact CG2-CD1 4.05Å; Y1151-L1298 HydrophobicContact CD2-CB 4Å; Y1151-L1298 HydrophobicContact CD2-CD1 4.39Å; P1294-L1298 WeakPolarHBondContact O-CB 3.29Å; P1294-L1298 PolarHBondContact O-N 3.03Å; K1295-L1298 CarbonylContact O-C 3.6Å; K1295-L1298 WeakPolarHBondContact O-CA 3.5Å; K1295-L1298 WeakPolarHBondContact O-CB 3.2Å; K1295-L1298 PolarHBondContact O-N 3.05Å; L1298-I1300 VanDerWaalsContact C-N 3.27Å; L1298-I1300 PolarHBondContact O-N 3.29Å; L1298-L1301 PolarHBondContact O-N 2.98Å; L1298-L1301 VanDerWaalsContact O-N 3.11Å; L1298-K1302 HydrophobicContact CG-CD 4.32Å; L1298-K1302 HydrophobicContact CG-CG 4.41Å; L1298-K1302 WeakPolarHBondContact O-CG 3.27Å; L1298-K1302 PolarHBondContact O-N 3.23Å |
| 1299 | D | 88.7 | Confident | 86.7 | Confident | 68 Ų | 68 | 50.2 Ų | 50.2 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.2 | -37.8 | 179.8 | -73.9 | -19.5 | 0 | 0 | 0 | 110.6 | K1295 E1296 K1302 Y1303 | K1295-D1299 WeakPolarHBondContact CE-OD2 3.22Å; K1295-D1299 PolarHBondContact O-N 2.73Å; E1296-D1299 PolarHBondContact O-N 3.13Å; D1299-K1302 PolarHBondContact O-N 3.49Å; D1299-Y1303 WeakPolarHBondContact O-CB 3.29Å; D1299-Y1303 PolarHBondContact O-N 2.94Å |
| 1300 | I | 91.1 | Very high | 86.8 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 171.2 | -65.7 | 157.9 | 0 | 0 | 0 | 111.1 | M1258 L1284 V1285 P1291 E1296 R1297 L1298 K1302 Y1303 M1304 | M1258-I1300 HydrophobicContact SD-CD1 4.09Å; L1284-I1300 HydrophobicContact CB-CG2 4.04Å; V1285-I1300 HydrophobicContact CG2-CD1 3.66Å; P1291-I1300 HydrophobicContact CB-CD1 3.78Å; P1291-I1300 HydrophobicContact CG-CD1 3.74Å; E1296-I1300 WeakPolarHBondContact O-CD1 3.36Å; E1296-I1300 VanDerWaalsContact O-CG1 3.29Å; E1296-I1300 WeakPolarHBondContact O-CG1 3.25Å; E1296-I1300 PolarHBondContact O-N 2.79Å; E1296-I1300 VanDerWaalsContact O-N 3.09Å; R1297-I1300 PolarHBondContact O-N 3.29Å; L1298-I1300 VanDerWaalsContact C-N 3.27Å; L1298-I1300 PolarHBondContact O-N 3.29Å; I1300-K1302 PolarHBondContact O-N 3.16Å; I1300-Y1303 WeakPolarHBondContact O-CB 3.5Å; I1300-Y1303 PolarHBondContact O-N 3.29Å; I1300-M1304 WeakPolarHBondContact O-CG 3.39Å; I1300-M1304 PolarHBondContact O-N 2.85Å |
| 1301 | L | 92.3 | Very high | 86.7 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 179.6 | -60.6 | 179.8 | 0 | 0 | 0 | 111.8 | L1154 M1251 C1254 L1255 M1258 R1297 L1298 Y1303 M1304 V1305 | L1154-L1301 HydrophobicContact CD1-CD1 3.76Å; M1251-L1301 HydrophobicContact CB-CD2 3.93Å; M1251-L1301 HydrophobicContact CG-CB 4.47Å; M1251-L1301 HydrophobicContact CG-CD2 4.17Å; M1251-L1301 WeakPolarHBondContact O-CD2 3.09Å; M1251-L1301 HydrophobicContact SD-CB 4.17Å; C1254-L1301 HydrophobicContact CB-CD2 4.23Å; L1255-L1301 HydrophobicContact CB-CD1 4.14Å; L1255-L1301 HydrophobicContact CD1-CD1 4.44Å; L1255-L1301 HydrophobicContact CD2-CD1 4.39Å; M1258-L1301 HydrophobicContact CE-CD2 4.3Å; R1297-L1301 WeakPolarHBondContact O-CG 3.47Å; R1297-L1301 PolarHBondContact O-N 3.02Å; L1298-L1301 PolarHBondContact O-N 2.98Å; L1298-L1301 VanDerWaalsContact O-N 3.11Å; L1301-Y1303 VanDerWaalsContact C-N 3.31Å; L1301-Y1303 PolarHBondContact O-N 2.76Å; L1301-M1304 HydrophobicContact CD2-SD 3.91Å; L1301-M1304 WeakPolarHBondContact O-CB 3.16Å; L1301-M1304 PolarHBondContact O-N 3.19Å; L1301-V1305 PolarHBondContact O-N 3.1Å; L1301-V1305 VanDerWaalsContact O-N 3.12Å |
| 1302 | K | 89.6 | Confident | 86.4 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 33% | 0.326 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 173.1 | -75.1 | 175.2 | 173.4 | -179.5 | 0 | 111.8 | D1147 L1298 D1299 I1300 M1304 V1305 A1306 | D1147-K1302 WeakPolarHBondContact OD1-CE 3.39Å; D1147-K1302 IonicContact OD1-NZ 3.86Å; D1147-K1302 PolarHBondContact OD1-NZ 3.45Å; D1147-K1302 IonicContact OD2-NZ 3.79Å; D1147-K1302 PolarHBondContact OD2-NZ 3.45Å; L1298-K1302 HydrophobicContact CG-CD 4.32Å; L1298-K1302 HydrophobicContact CG-CG 4.41Å; L1298-K1302 WeakPolarHBondContact O-CG 3.27Å; L1298-K1302 PolarHBondContact O-N 3.23Å; D1299-K1302 PolarHBondContact O-N 3.49Å; I1300-K1302 PolarHBondContact O-N 3.16Å; K1302-M1304 VanDerWaalsContact C-N 3.33Å; K1302-V1305 PolarHBondContact O-N 3.49Å; K1302-A1306 WeakPolarHBondContact O-CB 3.4Å; K1302-A1306 PolarHBondContact O-N 3.39Å |
| 1303 | Y | 90 | Very high | 86.2 | Confident | 117 Ų | 117 | 56 Ų | 56 | 46% | 0.459 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 175.1 | -173.4 | -84.4 | 0 | 0 | 0 | 111.1 | I1282 L1284 D1299 I1300 L1301 V1305 A1306 H1307 | I1282-Y1303 HydrophobicContact CG2-CE1 3.71Å; L1284-Y1303 HydrophobicContact CD2-CD1 3.6Å; L1284-Y1303 HydrophobicContact CD2-CE1 4.06Å; D1299-Y1303 WeakPolarHBondContact O-CB 3.29Å; D1299-Y1303 PolarHBondContact O-N 2.94Å; I1300-Y1303 WeakPolarHBondContact O-CB 3.5Å; I1300-Y1303 PolarHBondContact O-N 3.29Å; L1301-Y1303 VanDerWaalsContact C-N 3.31Å; L1301-Y1303 PolarHBondContact O-N 2.76Å; Y1303-V1305 VanDerWaalsContact C-N 3.32Å; Y1303-V1305 PolarHBondContact O-N 3.17Å; Y1303-A1306 PolarHBondContact O-N 2.73Å; Y1303-H1307 HydrophobicContact CD1-CB 4.42Å; Y1303-H1307 HydrophobicContact CE1-CB 4.14Å; Y1303-H1307 VanDerWaalsContact O-CB 3.28Å; Y1303-H1307 WeakPolarHBondContact O-CB 3.47Å; Y1303-H1307 PolarHBondContact O-N 3.42Å |
| 1304 | M | 91.7 | Very high | 86 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 173.9 | -65.3 | 170.7 | 61.7 | 0 | 0 | 111.9 | V1231 V1233 M1251 L1284 I1300 L1301 K1302 S1308 | V1231-M1304 HydrophobicContact CG1-CE 3.8Å; V1233-M1304 HydrophobicContact CG1-CB 4.07Å; V1233-M1304 HydrophobicContact CG1-CE 4.18Å; V1233-M1304 HydrophobicContact CG1-CG 4.08Å; M1251-M1304 HydrophobicContact CG-CE 4.15Å; M1251-M1304 HydrophobicContact CG-SD 4.46Å; L1284-M1304 HydrophobicContact CD1-CG 3.8Å; L1284-M1304 HydrophobicContact CD1-SD 4.19Å; L1284-M1304 HydrophobicContact CD2-CG 4.01Å; I1300-M1304 WeakPolarHBondContact O-CG 3.39Å; I1300-M1304 PolarHBondContact O-N 2.85Å; L1301-M1304 HydrophobicContact CD2-SD 3.91Å; L1301-M1304 WeakPolarHBondContact O-CB 3.16Å; L1301-M1304 PolarHBondContact O-N 3.19Å; K1302-M1304 VanDerWaalsContact C-N 3.33Å; M1304-S1308 WeakPolarHBondContact O-CB 3.06Å; M1304-S1308 PolarHBondContact O-N 3.08Å; M1304-S1308 PolarHBondContact O-OG 3.42Å |
| 1305 | V | 88.3 | Confident | 85.7 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 26% | 0.255 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.7 | -51.5 | 177 | 178.9 | 0 | 0 | 0 | 0 | 111 | Y1238 L1247 M1251 L1301 K1302 Y1303 H1307 S1308 Q1309 | Y1238-V1305 HydrophobicContact CD2-CG1 4.37Å; Y1238-V1305 HydrophobicContact CE2-CG1 4.09Å; L1247-V1305 HydrophobicContact CD2-CG2 4.34Å; M1251-V1305 HydrophobicContact CE-CG2 3.88Å; M1251-V1305 HydrophobicContact SD-CG2 3.33Å; M1251-V1305 WeakPolarHBondContact SD-CG2 3.48Å; L1301-V1305 PolarHBondContact O-N 3.1Å; L1301-V1305 VanDerWaalsContact O-N 3.12Å; K1302-V1305 PolarHBondContact O-N 3.49Å; Y1303-V1305 VanDerWaalsContact C-N 3.32Å; Y1303-V1305 PolarHBondContact O-N 3.17Å; V1305-H1307 PolarHBondContact O-N 2.89Å; V1305-S1308 PolarHBondContact O-N 2.79Å; V1305-S1308 PolarHBondContact O-OG 2.85Å; V1305-Q1309 WeakPolarHBondContact O-CB 3.46Å; V1305-Q1309 PolarHBondContact O-N 3.32Å |
| 1306 | A | 85.9 | Confident | 86 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 33% | 0.331 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1302 Y1303 S1308 Q1309 F1310 | K1302-A1306 WeakPolarHBondContact O-CB 3.4Å; K1302-A1306 PolarHBondContact O-N 3.39Å; Y1303-A1306 PolarHBondContact O-N 2.73Å; A1306-S1308 PolarHBondContact O-N 3.32Å; A1306-Q1309 WeakPolarHBondContact O-CB 2.84Å; A1306-Q1309 PolarHBondContact O-N 3Å; A1306-F1310 WeakPolarHBondContact O-CD2 3.33Å; A1306-F1310 PolarHBondContact O-N 3.27Å; A1306-F1310 VanDerWaalsContact O-N 3.11Å |
| 1307 | H | 86.2 | Confident | 85.9 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 11% | 0.111 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60 | -49.7 | 178.6 | -168.6 | 88.9 | 0 | 0 | 0 | 111.5 | S1276 I1282 Y1303 V1305 Q1309 F1310 C1311 | S1276-H1307 PolarHBondContact OG-NE2 3.02Å; S1276-H1307 VanDerWaalsContact OG-NE2 3.09Å; I1282-H1307 WeakPolarHBondContact CD1-NE2 3.42Å; Y1303-H1307 HydrophobicContact CD1-CB 4.42Å; Y1303-H1307 HydrophobicContact CE1-CB 4.14Å; Y1303-H1307 VanDerWaalsContact O-CB 3.28Å; Y1303-H1307 WeakPolarHBondContact O-CB 3.47Å; Y1303-H1307 PolarHBondContact O-N 3.42Å; V1305-H1307 PolarHBondContact O-N 2.89Å; H1307-Q1309 PolarHBondContact O-N 2.76Å; H1307-F1310 PolarHBondContact O-N 2.84Å; H1307-C1311 VanDerWaalsContact O-CB 3.28Å; H1307-C1311 WeakPolarHBondContact O-CB 3.26Å; H1307-C1311 PolarHBondContact O-N 3.17Å; H1307-C1311 PolarHBondContact O-SG 3.42Å |
| 1308 | S | 85.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.7 | -25.7 | 178.5 | 66.7 | 0 | 0 | 0 | 0 | 113.8 | V1233 A1235 Y1238 L1247 M1304 V1305 A1306 | V1233-S1308 WeakPolarHBondContact O-CA 3.11Å; V1233-S1308 WeakPolarHBondContact O-CB 3.2Å; A1235-S1308 WeakPolarHBondContact CA-O 3.28Å; Y1238-S1308 WeakPolarHBondContact CB-O 3.39Å; L1247-S1308 WeakPolarHBondContact CD2-OG 3.13Å; M1304-S1308 WeakPolarHBondContact O-CB 3.06Å; M1304-S1308 PolarHBondContact O-N 3.08Å; M1304-S1308 PolarHBondContact O-OG 3.42Å; V1305-S1308 PolarHBondContact O-N 2.79Å; V1305-S1308 PolarHBondContact O-OG 2.85Å; A1306-S1308 PolarHBondContact O-N 3.32Å |
| 1309 | Q | 84.9 | Confident | 85.6 | Confident | 90 Ų | 90 | 52.5 Ų | 52.5 | 42% | 0.421 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -75.7 | -37.4 | 176.2 | -176.4 | 177.1 | 5.7 | 0 | 0 | 112.6 | Y1238 V1305 A1306 H1307 | Y1238-Q1309 HydrophobicContact CD1-CB 4.43Å; Y1238-Q1309 HydrophobicContact CD1-CG 4.39Å; Y1238-Q1309 HydrophobicContact CD2-CB 3.87Å; Y1238-Q1309 HydrophobicContact CD2-CG 4.43Å; Y1238-Q1309 HydrophobicContact CE1-CB 4.41Å; Y1238-Q1309 HydrophobicContact CE1-CG 3.99Å; Y1238-Q1309 HydrophobicContact CE2-CB 3.85Å; Y1238-Q1309 HydrophobicContact CE2-CG 4.03Å; Y1238-Q1309 HydrophobicContact CG-CB 4.17Å; V1305-Q1309 WeakPolarHBondContact O-CB 3.46Å; V1305-Q1309 PolarHBondContact O-N 3.32Å; A1306-Q1309 WeakPolarHBondContact O-CB 2.84Å; A1306-Q1309 PolarHBondContact O-N 3Å; H1307-Q1309 PolarHBondContact O-N 2.76Å |
| 1310 | F | 84.1 | Confident | 85.6 | Confident | 154 Ų | 154 | 49.2 Ų | 49.2 | 68% | 0.675 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -107.1 | -12.1 | -169.9 | -64.6 | -67.1 | 0 | 0 | 0 | 114.9 | A1306 H1307 | A1306-F1310 WeakPolarHBondContact O-CD2 3.33Å; A1306-F1310 PolarHBondContact O-N 3.27Å; A1306-F1310 VanDerWaalsContact O-N 3.11Å; H1307-F1310 PolarHBondContact O-N 2.84Å |
| 1311 | C | 81.9 | Confident | 85.5 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 9% | 0.088 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -67.9 | 150.4 | 179.5 | 69.9 | 0 | 0 | 0 | 0 | 112.7 | A1235 H1307 | A1235-C1311 PolarHBondContact N-SG 3.26Å; H1307-C1311 VanDerWaalsContact O-CB 3.28Å; H1307-C1311 WeakPolarHBondContact O-CB 3.26Å; H1307-C1311 PolarHBondContact O-N 3.17Å; H1307-C1311 PolarHBondContact O-SG 3.42Å |
| 1312 | Y | 79.4 | Confident | 85.3 | Confident | 174 Ų | 174 | 52 Ų | 52 | 68% | 0.682 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 153.2 | 172.7 | -72 | -77 | 0 | 0 | 0 | 112.6 | E1278 | E1278-Y1312 HydrophobicContact CG-CD2 4.35Š|
| 1313 | S | 76.1 | Confident | 85.2 | Confident | 95 Ų | 95 | 52 Ų | 52 | 66% | 0.664 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -71.2 | 133.4 | 173.2 | 60 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1314 | G | 76.9 | Confident | 85.2 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 19% | 0.186 | 25% | 0.252 | C | S | . | . | trans | 169.1 | -178.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | G1277 Y1349 | G1277-G1314 VanDerWaalsContact CA-CA 3.47Å; G1277-G1314 WeakPolarHBondContact CA-O 3.49Å; G1314-Y1349 PolarHBondContact O-OH 3.07Å | ||
| 1315 | D | 79.4 | Confident | 85 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 21% | 0.214 | 26% | 0.255 | C | S | . | . | trans | -133.9 | 135 | 171.4 | -176.3 | 69 | 0 | 0 | 0 | 110.6 | T1317 Y1349 I1351 | D1315-T1317 WeakPolarHBondContact OD1-CB 3.49Å; D1315-T1317 PolarHBondContact OD1-OG1 2.87Å; D1315-T1317 WeakPolarHBondContact OD2-CB 3.32Å; D1315-T1317 PolarHBondContact OD2-N 2.79Å; D1315-T1317 PolarHBondContact OD2-OG1 3.2Å; D1315-Y1349 HydrophobicContact CB-CD1 3.78Å; D1315-Y1349 HydrophobicContact CB-CD2 3.51Å; D1315-Y1349 HydrophobicContact CB-CE1 4.2Å; D1315-Y1349 HydrophobicContact CB-CE2 3.92Å; D1315-Y1349 HydrophobicContact CB-CG 3.4Å; D1315-Y1349 VanDerWaalsContact CB-CG 3.4Å; D1315-I1351 WeakPolarHBondContact OD2-CD1 3.11Å | ||
| 1316 | S | 85.9 | Confident | 84.8 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | trans | -128 | 20.1 | 173.8 | -65.9 | 0 | 0 | 0 | 0 | 111.5 | S1276 L1318 S1319 A1320 | S1276-S1316 VanDerWaalsContact O-CB 3.28Å; S1276-S1316 WeakPolarHBondContact O-CB 3.28Å; S1276-S1316 PolarHBondContact O-OG 2.89Å; S1316-L1318 PolarHBondContact O-N 2.94Å; S1316-S1319 PolarHBondContact O-N 3.31Å; S1316-A1320 VanDerWaalsContact O-CB 3.26Å; S1316-A1320 WeakPolarHBondContact O-CB 3.36Å; S1316-A1320 PolarHBondContact O-N 3.44Å | ||
| 1317 | T | 85.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.9 | -48.6 | -172.3 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | H1275 D1315 A1320 M1321 F1356 | H1275-T1317 PolarHBondContact NE2-OG1 3.35Å; D1315-T1317 WeakPolarHBondContact OD1-CB 3.49Å; D1315-T1317 PolarHBondContact OD1-OG1 2.87Å; D1315-T1317 WeakPolarHBondContact OD2-CB 3.32Å; D1315-T1317 PolarHBondContact OD2-N 2.79Å; D1315-T1317 PolarHBondContact OD2-OG1 3.2Å; T1317-A1320 PolarHBondContact O-N 3.18Å; T1317-M1321 HydrophobicContact CG2-SD 4.13Å; T1317-M1321 WeakPolarHBondContact O-CB 3.3Å; T1317-M1321 VanDerWaalsContact O-CG 3.28Å; T1317-M1321 WeakPolarHBondContact O-CG 3.21Å; T1317-M1321 PolarHBondContact O-N 3.02Å; T1317-F1356 HydrophobicContact CG2-CE2 3.83Å |
| 1318 | L | 86.4 | Confident | 84.9 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.3 | -39 | 179.9 | -65.8 | 179.7 | 0 | 0 | 0 | 112.7 | S1316 T1322 I1351 E1355 F1356 A1359 | S1316-L1318 PolarHBondContact O-N 2.94Å; L1318-T1322 WeakPolarHBondContact O-CB 3.47Å; L1318-T1322 PolarHBondContact O-N 3.18Å; L1318-T1322 PolarHBondContact O-OG1 2.91Å; L1318-I1351 HydrophobicContact CD1-CD1 4.22Å; L1318-I1351 HydrophobicContact CD1-CG1 4.03Å; L1318-I1351 HydrophobicContact CD1-CG2 3.89Å; L1318-I1351 HydrophobicContact CD2-CG2 4.35Å; L1318-I1351 HydrophobicContact CG-CD1 4.15Å; L1318-I1351 HydrophobicContact CG-CG1 4.48Å; L1318-I1351 HydrophobicContact CG-CG2 4.22Å; L1318-E1355 HydrophobicContact CD1-CB 4.3Å; L1318-F1356 HydrophobicContact CD2-CB 4.45Å; L1318-F1356 HydrophobicContact CD2-CD2 4.09Å; L1318-A1359 HydrophobicContact CD2-CB 3.93Å |
| 1319 | S | 86.6 | Confident | 84.8 | Confident | 58 Ų | 58 | 50.3 Ų | 50.3 | 41% | 0.406 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 176.2 | -167.5 | 0 | 0 | 0 | 0 | 110.3 | D1280 S1316 M1321 T1322 K1323 | D1280-S1319 PolarHBondContact OD2-OG 2.93Å; S1316-S1319 PolarHBondContact O-N 3.31Å; S1319-M1321 PolarHBondContact O-N 3.27Å; S1319-T1322 PolarHBondContact O-N 3.18Å; S1319-K1323 WeakPolarHBondContact O-CB 3.5Å; S1319-K1323 PolarHBondContact O-N 3.46Å |
| 1320 | A | 89.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1230 H1275 D1280 S1316 T1317 S1324 | L1230-A1320 HydrophobicContact CD1-CB 4.06Å; L1230-A1320 HydrophobicContact CD2-CB 3.91Å; H1275-A1320 HydrophobicContact CB-CB 3.68Å; D1280-A1320 HydrophobicContact CB-CB 4.17Å; D1280-A1320 WeakPolarHBondContact O-CA 3.41Å; D1280-A1320 WeakPolarHBondContact O-CB 3.42Å; S1316-A1320 VanDerWaalsContact O-CB 3.26Å; S1316-A1320 WeakPolarHBondContact O-CB 3.36Å; S1316-A1320 PolarHBondContact O-N 3.44Å; T1317-A1320 PolarHBondContact O-N 3.18Å; A1320-S1324 VanDerWaalsContact O-CB 3.24Å; A1320-S1324 WeakPolarHBondContact O-CB 3.38Å; A1320-S1324 PolarHBondContact O-N 3.19Å; A1320-S1324 PolarHBondContact O-OG 3.37Å |
| 1321 | M | 89.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -50.9 | 173.8 | -75.8 | 177.2 | 66.9 | 0 | 0 | 111.5 | L1230 T1317 S1319 K1323 S1324 I1325 V1340 F1356 A1359 M1360 V1369 | L1230-M1321 HydrophobicContact CD2-CG 3.79Å; T1317-M1321 HydrophobicContact CG2-SD 4.13Å; T1317-M1321 WeakPolarHBondContact O-CB 3.3Å; T1317-M1321 VanDerWaalsContact O-CG 3.28Å; T1317-M1321 WeakPolarHBondContact O-CG 3.21Å; T1317-M1321 PolarHBondContact O-N 3.02Å; S1319-M1321 PolarHBondContact O-N 3.27Å; M1321-K1323 VanDerWaalsContact C-N 3.32Å; M1321-K1323 PolarHBondContact O-N 2.84Å; M1321-S1324 PolarHBondContact O-N 3.28Å; M1321-I1325 WeakPolarHBondContact O-CB 3.42Å; M1321-I1325 WeakPolarHBondContact O-CD1 3.3Å; M1321-I1325 VanDerWaalsContact O-CG1 3.22Å; M1321-I1325 WeakPolarHBondContact O-CG1 3.44Å; M1321-I1325 PolarHBondContact O-N 3.14Å; M1321-V1340 HydrophobicContact CE-CG2 4.38Å; M1321-V1340 HydrophobicContact CG-CG2 4.04Å; M1321-V1340 HydrophobicContact SD-CG1 4.5Å; M1321-V1340 HydrophobicContact SD-CG2 4.32Å; M1321-F1356 HydrophobicContact CE-CE1 4.3Å; M1321-F1356 HydrophobicContact CE-CE2 4.4Å; M1321-F1356 HydrophobicContact CE-CZ 4.13Å; M1321-F1356 HydrophobicContact SD-CD2 4.15Å; M1321-F1356 HydrophobicContact SD-CE1 4.44Å; M1321-F1356 HydrophobicContact SD-CE2 3.55Å; M1321-F1356 VanDerWaalsContact SD-CE2 3.55Å; M1321-F1356 HydrophobicContact SD-CZ 3.72Å; M1321-A1359 HydrophobicContact CE-CB 3.94Å; M1321-M1360 HydrophobicContact CE-CG 3.85Å; M1321-V1369 HydrophobicContact CE-CG1 4.11Å |
| 1322 | T | 86.9 | Confident | 84 | Confident | 85 Ų | 85 | 50 Ų | 50 | 52% | 0.521 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | -177.1 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | L1318 S1319 I1325 S1326 | L1318-T1322 WeakPolarHBondContact O-CB 3.47Å; L1318-T1322 PolarHBondContact O-N 3.18Å; L1318-T1322 PolarHBondContact O-OG1 2.91Å; S1319-T1322 PolarHBondContact O-N 3.18Å; T1322-I1325 PolarHBondContact O-N 3.41Å; T1322-S1326 PolarHBondContact O-N 2.97Å |
| 1323 | K | 88.3 | Confident | 83.8 | Confident | 75 Ų | 75 | 42.1 Ų | 42.1 | 33% | 0.326 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64 | -46 | 175.3 | -173.3 | 176.5 | 179.9 | 178.8 | 0 | 112.1 | D1280 H1281 S1319 M1321 I1325 S1326 E1327 | D1280-K1323 IonicContact OD1-NZ 2.74Å; D1280-K1323 PolarHBondContact OD1-NZ 2.94Å; H1281-K1323 HydrophobicContact CB-CD 4.27Å; S1319-K1323 WeakPolarHBondContact O-CB 3.5Å; S1319-K1323 PolarHBondContact O-N 3.46Å; M1321-K1323 VanDerWaalsContact C-N 3.32Å; M1321-K1323 PolarHBondContact O-N 2.84Å; K1323-I1325 VanDerWaalsContact C-N 3.31Å; K1323-I1325 PolarHBondContact O-N 3.19Å; K1323-S1326 WeakPolarHBondContact O-CB 3.42Å; K1323-S1326 PolarHBondContact O-N 3.26Å; K1323-E1327 WeakPolarHBondContact O-CG 3.26Å; K1323-E1327 PolarHBondContact O-N 3.21Å |
| 1324 | S | 90 | Very high | 83.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 177.7 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | A1320 M1321 L1328 | A1320-S1324 VanDerWaalsContact O-CB 3.24Å; A1320-S1324 WeakPolarHBondContact O-CB 3.38Å; A1320-S1324 PolarHBondContact O-N 3.19Å; A1320-S1324 PolarHBondContact O-OG 3.37Å; M1321-S1324 PolarHBondContact O-N 3.28Å; S1324-L1328 VanDerWaalsContact O-CB 3.31Å; S1324-L1328 WeakPolarHBondContact O-CB 3.47Å; S1324-L1328 VanDerWaalsContact O-CG 3.26Å; S1324-L1328 WeakPolarHBondContact O-CG 3.36Å; S1324-L1328 PolarHBondContact O-N 3.44Å |
| 1325 | I | 87.3 | Confident | 83.3 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -45.2 | 176.2 | -68.7 | 164.3 | 0 | 0 | 0 | 110.6 | M1321 T1322 K1323 E1327 L1328 S1329 L1338 A1359 P1362 V1369 | M1321-I1325 WeakPolarHBondContact O-CB 3.42Å; M1321-I1325 WeakPolarHBondContact O-CD1 3.3Å; M1321-I1325 VanDerWaalsContact O-CG1 3.22Å; M1321-I1325 WeakPolarHBondContact O-CG1 3.44Å; M1321-I1325 PolarHBondContact O-N 3.14Å; T1322-I1325 PolarHBondContact O-N 3.41Å; K1323-I1325 VanDerWaalsContact C-N 3.31Å; K1323-I1325 PolarHBondContact O-N 3.19Å; I1325-E1327 PolarHBondContact O-N 3.47Å; I1325-L1328 PolarHBondContact O-N 3.31Å; I1325-S1329 VanDerWaalsContact O-CB 3.25Å; I1325-S1329 WeakPolarHBondContact O-CB 3.39Å; I1325-S1329 PolarHBondContact O-N 3.32Å; I1325-S1329 PolarHBondContact O-OG 2.87Å; I1325-L1338 HydrophobicContact CD1-CD2 4.47Å; I1325-L1338 HydrophobicContact CG1-CD2 3.81Å; I1325-A1359 WeakPolarHBondContact CD1-O 3.18Å; I1325-P1362 HydrophobicContact CD1-CB 4.46Å; I1325-P1362 HydrophobicContact CD1-CG 4.43Å; I1325-P1362 HydrophobicContact CG2-CB 3.69Å; I1325-P1362 HydrophobicContact CG2-CG 3.88Å; I1325-V1369 HydrophobicContact CD1-CG2 3.98Å; I1325-V1369 HydrophobicContact CG1-CG2 4.08Å |
| 1326 | S | 85 | Confident | 83.6 | Confident | 75 Ų | 75 | 41.7 Ų | 41.7 | 52% | 0.524 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57 | -50.6 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | T1322 K1323 S1329 S1330 | T1322-S1326 PolarHBondContact O-N 2.97Å; K1323-S1326 WeakPolarHBondContact O-CB 3.42Å; K1323-S1326 PolarHBondContact O-N 3.26Å; S1326-S1329 PolarHBondContact O-N 3.24Å; S1326-S1329 PolarHBondContact O-OG 3.38Å; S1326-S1330 PolarHBondContact O-N 3.49Å |
| 1327 | E | 87.2 | Confident | 83.7 | Confident | 57 Ų | 57 | 40.6 Ų | 40.6 | 27% | 0.266 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.3 | -47 | 179.1 | -71.7 | 174.8 | -166.8 | 0 | 0 | 112.3 | R1228 H1281 K1323 I1325 S1329 S1330 C1331 | R1228-E1327 IonicContact CZ-OE2 3.62Å; R1228-E1327 IonicContact NH1-OE2 3.22Å; R1228-E1327 PolarHBondContact NH1-OE2 2.85Å; R1228-E1327 IonicContact NH2-OE2 3.12Å; R1228-E1327 PolarHBondContact NH2-OE2 3.39Å; H1281-E1327 IonicContact CD2-OE1 3.7Å; H1281-E1327 IonicContact NE2-OE1 3.23Å; H1281-E1327 IonicContact NE2-OE2 2.71Å; K1323-E1327 WeakPolarHBondContact O-CG 3.26Å; K1323-E1327 PolarHBondContact O-N 3.21Å; I1325-E1327 PolarHBondContact O-N 3.47Å; E1327-S1329 VanDerWaalsContact C-N 3.29Å; E1327-S1329 PolarHBondContact O-N 3.47Å; E1327-S1330 PolarHBondContact O-N 2.87Å; E1327-S1330 PolarHBondContact O-OG 3.08Å; E1327-C1331 PolarHBondContact O-N 2.98Å; E1327-C1331 PolarHBondContact O-SG 3.33Å |
| 1328 | L | 86.8 | Confident | 84 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -38.9 | 176.5 | -76.6 | 173.2 | 0 | 0 | 0 | 112 | R1226 R1228 S1324 I1325 S1330 C1331 R1336 L1338 V1367 | R1226-L1328 HydrophobicContact CB-CD2 4.34Å; R1226-L1328 HydrophobicContact CG-CD2 3.49Å; R1226-L1328 VanDerWaalsContact CG-CD2 3.49Å; R1228-L1328 HydrophobicContact CB-CD1 3.94Å; R1228-L1328 HydrophobicContact CB-CD2 4.1Å; R1228-L1328 HydrophobicContact CB-CG 4.38Å; S1324-L1328 VanDerWaalsContact O-CB 3.31Å; S1324-L1328 WeakPolarHBondContact O-CB 3.47Å; S1324-L1328 VanDerWaalsContact O-CG 3.26Å; S1324-L1328 WeakPolarHBondContact O-CG 3.36Å; S1324-L1328 PolarHBondContact O-N 3.44Å; I1325-L1328 PolarHBondContact O-N 3.31Å; L1328-S1330 PolarHBondContact O-N 2.85Å; L1328-C1331 WeakPolarHBondContact O-CB 3.41Å; L1328-C1331 PolarHBondContact O-N 3.48Å; L1328-R1336 WeakPolarHBondContact O-CD 3Å; L1328-R1336 PolarHBondContact O-NE 3.48Å; L1328-L1338 HydrophobicContact CD1-CB 3.91Å; L1328-L1338 HydrophobicContact CD1-CD1 4.33Å; L1328-V1367 HydrophobicContact CB-CG1 4.27Å; L1328-V1367 HydrophobicContact CB-CG2 3.97Å; L1328-V1367 HydrophobicContact CD1-CG1 3.88Å |
| 1329 | S | 82.5 | Confident | 84.2 | Confident | 42 Ų | 42 | 38.7 Ų | 38.7 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.2 | -29 | 179.7 | 75.8 | 0 | 0 | 0 | 0 | 112.8 | I1325 S1326 E1327 | I1325-S1329 VanDerWaalsContact O-CB 3.25Å; I1325-S1329 WeakPolarHBondContact O-CB 3.39Å; I1325-S1329 PolarHBondContact O-N 3.32Å; I1325-S1329 PolarHBondContact O-OG 2.87Å; S1326-S1329 PolarHBondContact O-N 3.24Å; S1326-S1329 PolarHBondContact O-OG 3.38Å; E1327-S1329 VanDerWaalsContact C-N 3.29Å; E1327-S1329 PolarHBondContact O-N 3.47Å |
| 1330 | S | 80.1 | Confident | 84.5 | Confident | 99 Ų | 99 | 36 Ų | 36 | 69% | 0.692 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -82.2 | -16.7 | 174.9 | 72.9 | 0 | 0 | 0 | 0 | 114.1 | S1326 E1327 L1328 | S1326-S1330 PolarHBondContact O-N 3.49Å; E1327-S1330 PolarHBondContact O-N 2.87Å; E1327-S1330 PolarHBondContact O-OG 3.08Å; L1328-S1330 PolarHBondContact O-N 2.85Å |
| 1331 | C | 78.4 | Confident | 84.6 | Confident | 36 Ų | 36 | 36 Ų | 36 | 24% | 0.243 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -72.6 | 141 | -178.4 | -68.3 | 0 | 0 | 0 | 0 | 111.3 | E1327 L1328 A1333 R1336 | E1327-C1331 PolarHBondContact O-N 2.98Å; E1327-C1331 PolarHBondContact O-SG 3.33Å; L1328-C1331 WeakPolarHBondContact O-CB 3.41Å; L1328-C1331 PolarHBondContact O-N 3.48Å; C1331-A1333 PolarHBondContact O-N 3.22Å; C1331-R1336 PolarHBondContact O-NE 3.14Å; C1331-R1336 PolarHBondContact O-NH2 3.32Å |
| 1332 | D | 76.6 | Confident | 84.5 | Confident | 116 Ų | 116 | 36 Ų | 36 | 62% | 0.62 | 21% | 0.207 | S | C | * | . | trans | -89.9 | 88.2 | 179.5 | -171.4 | 18.3 | 0 | 0 | 0 | 111.4 | K1223 | K1223-D1332 WeakPolarHBondContact CD-OD1 3.14Å; K1223-D1332 WeakPolarHBondContact CE-OD2 3.3Å; K1223-D1332 IonicContact NZ-OD1 2.91Å; K1223-D1332 PolarHBondContact NZ-OD1 3.21Å; K1223-D1332 IonicContact NZ-OD2 2.67Å; K1223-D1332 PolarHBondContact NZ-OD2 2.9Å | ||
| 1333 | A | 75.5 | Confident | 84.4 | Confident | 8 Ų | 8 | 32.2 Ų | 32.2 | 7% | 0.066 | 18% | 0.183 | C | C | . | . | trans | -141.1 | 154.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111 | P1224 R1226 C1331 E1335 R1336 | P1224-A1333 WeakPolarHBondContact O-CB 3.39Å; R1226-A1333 HydrophobicContact CB-CB 3.75Å; C1331-A1333 PolarHBondContact O-N 3.22Å; A1333-E1335 VanDerWaalsContact C-N 3.32Å; A1333-E1335 PolarHBondContact O-N 2.92Å; A1333-R1336 HydrophobicContact CB-CG 4.37Å; A1333-R1336 PolarHBondContact O-NH1 3.35Å; A1333-R1336 PolarHBondContact O-NH2 2.89Å | ||
| 1334 | D | 66.1 | Low | 84.1 | Confident | 72 Ų | 72 | 28.6 Ų | 28.6 | 39% | 0.385 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -68.7 | -33.5 | 179.1 | -67.6 | -13.9 | 0 | 0 | 0 | 111.8 | Q1221 R1222 K1223 | Q1221-D1334 WeakPolarHBondContact CA-OD2 3.36Å; Q1221-D1334 WeakPolarHBondContact CG-OD2 3.49Å; R1222-D1334 PolarHBondContact N-OD2 3.43Å; K1223-D1334 PolarHBondContact N-OD1 3.27Å; K1223-D1334 PolarHBondContact N-OD2 2.99Å |
| 1335 | E | 74.9 | Confident | 83.7 | Confident | 34 Ų | 34 | 29 Ų | 29 | 16% | 0.159 | 17% | 0.169 | C | C | . | . | trans | -145.9 | 140.5 | 179.5 | -164 | -177.8 | 163.2 | 0 | 0 | 109.7 | K1225 R1226 A1333 N1413 | K1225-E1335 HydrophobicContact CB-CB 4.38Å; K1225-E1335 HydrophobicContact CD-CB 4.18Å; K1225-E1335 WeakPolarHBondContact CD-OE2 3.32Å; K1225-E1335 WeakPolarHBondContact CE-OE2 3.32Å; K1225-E1335 HydrophobicContact CG-CB 4.04Å; K1225-E1335 IonicContact NZ-OE2 3.75Å; K1225-E1335 PolarHBondContact NZ-OE2 3.02Å; R1226-E1335 PolarHBondContact N-O 3.25Å; A1333-E1335 VanDerWaalsContact C-N 3.32Å; A1333-E1335 PolarHBondContact O-N 2.92Å; E1335-N1413 WeakPolarHBondContact OE1-CB 3.4Å; E1335-N1413 PolarHBondContact OE1-ND2 3.22Å | ||
| 1336 | R | 86.2 | Confident | 83.4 | Confident | 39 Ų | 39 | 28.4 Ų | 28.4 | 15% | 0.147 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 120.1 | -176 | -59.7 | 154 | -175.2 | 85.6 | 3.1 | 110.1 | R1226 L1328 C1331 A1333 V1367 S1368 | R1226-R1336 HydrophobicContact CB-CG 4.39Å; R1226-R1336 CarbonylContact O-C 3.04Å; R1226-R1336 WeakPolarHBondContact O-CA 3.22Å; L1328-R1336 WeakPolarHBondContact O-CD 3Å; L1328-R1336 PolarHBondContact O-NE 3.48Å; C1331-R1336 PolarHBondContact O-NE 3.14Å; C1331-R1336 PolarHBondContact O-NH2 3.32Å; A1333-R1336 HydrophobicContact CB-CG 4.37Å; A1333-R1336 PolarHBondContact O-NH1 3.35Å; A1333-R1336 PolarHBondContact O-NH2 2.89Å; R1336-V1367 HydrophobicContact CB-CB 4.46Å; R1336-V1367 HydrophobicContact CB-CG1 4.4Å; R1336-V1367 HydrophobicContact CB-CG2 4.03Å; R1336-V1367 WeakPolarHBondContact O-CA 3.38Å; R1336-S1368 PolarHBondContact O-N 3.31Å |
| 1337 | L | 88 | Confident | 83.1 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.8 | -173.5 | -66.4 | 158.7 | 0 | 0 | 0 | 109.8 | R1226 L1227 R1228 S1368 Y1370 L1410 | R1226-L1337 PolarHBondContact O-N 3.04Å; L1227-L1337 HydrophobicContact CD1-CB 3.72Å; R1228-L1337 PolarHBondContact N-O 3.06Å; L1337-S1368 WeakPolarHBondContact CA-O 3.48Å; L1337-Y1370 HydrophobicContact CD2-CE2 3.78Å; L1337-L1410 HydrophobicContact CD1-CD2 4.13Å |
| 1338 | L | 91.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 119.4 | 171.8 | 179.2 | 62.4 | 0 | 0 | 0 | 109.1 | R1228 L1230 I1325 L1328 V1340 V1367 S1368 V1369 Y1370 | R1228-L1338 HydrophobicContact CB-CD1 4.02Å; R1228-L1338 HydrophobicContact CG-CD1 3.9Å; R1228-L1338 WeakPolarHBondContact O-CA 3.36Å; L1230-L1338 HydrophobicContact CB-CD1 4.01Å; I1325-L1338 HydrophobicContact CD1-CD2 4.47Å; I1325-L1338 HydrophobicContact CG1-CD2 3.81Å; L1328-L1338 HydrophobicContact CD1-CB 3.91Å; L1328-L1338 HydrophobicContact CD1-CD1 4.33Å; L1338-V1340 HydrophobicContact CD2-CG2 4.33Å; L1338-V1340 HydrophobicContact CG-CG2 4.11Å; L1338-V1367 HydrophobicContact CB-CG1 4.32Å; L1338-S1368 PolarHBondContact N-O 3.28Å; L1338-V1369 HydrophobicContact CB-CG1 4.4Å; L1338-V1369 HydrophobicContact CB-CG2 4.28Å; L1338-V1369 HydrophobicContact CD2-CG1 4.08Å; L1338-V1369 HydrophobicContact CD2-CG2 4.27Å; L1338-V1369 HydrophobicContact CG-CG1 4.33Å; L1338-V1369 CarbonylContact O-C 3.5Å; L1338-V1369 WeakPolarHBondContact O-CA 3.44Å; L1338-Y1370 PolarHBondContact O-N 2.95Å |
| 1339 | I | 92.3 | Very high | 82.4 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.3 | 173.8 | -57.3 | -179.8 | 0 | 0 | 0 | 108.7 | L1227 R1228 V1229 L1230 F1341 Y1370 I1372 I1409 | L1227-I1339 HydrophobicContact CD1-CD1 3.78Å; L1227-I1339 HydrophobicContact CD1-CG1 3.96Å; R1228-I1339 PolarHBondContact O-N 2.94Å; V1229-I1339 CarbonylContact C-O 3.59Å; V1229-I1339 WeakPolarHBondContact CA-O 3.49Å; L1230-I1339 PolarHBondContact N-O 3.5Å; I1339-F1341 HydrophobicContact CG2-CD1 4.06Å; I1339-F1341 HydrophobicContact CG2-CE1 3.67Å; I1339-Y1370 CarbonylContact C-O 3.53Å; I1339-Y1370 WeakPolarHBondContact CA-O 3.44Å; I1339-I1372 HydrophobicContact CG2-CD1 3.81Å; I1339-I1372 HydrophobicContact CG2-CG1 4.08Å; I1339-I1409 HydrophobicContact CD1-CD1 3.98Å; I1339-I1409 HydrophobicContact CD1-CG2 4.06Å; I1339-I1409 HydrophobicContact CG1-CD1 4.3Å; I1339-I1409 HydrophobicContact CG1-CG2 4.37Å |
| 1340 | V | 91.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.8 | -178.3 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | L1230 M1321 L1338 V1369 Y1370 A1371 I1372 | L1230-V1340 HydrophobicContact CB-CG2 4.36Å; L1230-V1340 HydrophobicContact CD2-CG1 4.3Å; L1230-V1340 HydrophobicContact CD2-CG2 4.28Å; L1230-V1340 CarbonylContact O-C 3.57Å; L1230-V1340 WeakPolarHBondContact O-CA 3.49Å; M1321-V1340 HydrophobicContact CE-CG2 4.38Å; M1321-V1340 HydrophobicContact CG-CG2 4.04Å; M1321-V1340 HydrophobicContact SD-CG1 4.5Å; M1321-V1340 HydrophobicContact SD-CG2 4.32Å; L1338-V1340 HydrophobicContact CD2-CG2 4.33Å; L1338-V1340 HydrophobicContact CG-CG2 4.11Å; V1340-V1369 HydrophobicContact CG2-CG1 4.35Å; V1340-Y1370 PolarHBondContact N-O 3.5Å; V1340-A1371 CarbonylContact O-C 3.55Å; V1340-A1371 WeakPolarHBondContact O-CA 3.48Å; V1340-I1372 PolarHBondContact O-N 3.45Å |
| 1341 | F | 91.9 | Very high | 82.3 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.1 | 168 | -65.6 | -5.6 | 0 | 0 | 0 | 109.2 | V1229 L1230 V1231 D1232 L1257 I1339 I1372 M1374 L1402 | V1229-F1341 HydrophobicContact CG1-CD2 4.28Å; V1229-F1341 HydrophobicContact CG1-CE1 4.25Å; V1229-F1341 HydrophobicContact CG1-CE2 4.01Å; V1229-F1341 HydrophobicContact CG1-CZ 4.01Å; L1230-F1341 PolarHBondContact O-N 2.85Å; V1231-F1341 HydrophobicContact CG1-CB 4.49Å; V1231-F1341 HydrophobicContact CG1-CD2 4.36Å; V1231-F1341 HydrophobicContact CG2-CD2 4.09Å; D1232-F1341 VanDerWaalsContact CB-O 3.25Å; D1232-F1341 WeakPolarHBondContact CB-O 3.44Å; D1232-F1341 PolarHBondContact N-O 3.08Å; L1257-F1341 HydrophobicContact CD1-CZ 3.98Å; I1339-F1341 HydrophobicContact CG2-CD1 4.06Å; I1339-F1341 HydrophobicContact CG2-CE1 3.67Å; F1341-I1372 WeakPolarHBondContact CA-O 3.39Å; F1341-I1372 HydrophobicContact CD1-CB 3.94Å; F1341-I1372 HydrophobicContact CD1-CD1 4.49Å; F1341-I1372 HydrophobicContact CE1-CB 4.24Å; F1341-I1372 HydrophobicContact CE1-CD1 3.95Å; F1341-I1372 HydrophobicContact CE1-CG1 4.44Å; F1341-M1374 HydrophobicContact CB-CG 3.99Å; F1341-M1374 HydrophobicContact CG-CG 4.14Å; F1341-L1402 HydrophobicContact CZ-CD2 4.34Å |
| 1342 | S | 87.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 149.6 | -178.4 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | A1344 I1372 F1373 M1374 | S1342-A1344 PolarHBondContact O-N 3.14Å; S1342-A1344 PolarHBondContact OG-N 3.2Å; S1342-I1372 PolarHBondContact N-O 3.15Å; S1342-I1372 VanDerWaalsContact N-O 3.1Å; S1342-F1373 CarbonylContact O-C 3.6Å; S1342-F1373 WeakPolarHBondContact O-CA 3.25Å; S1342-M1374 PolarHBondContact O-N 3.21Å |
| 1343 | D | 83.9 | Confident | 82.6 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | -77.7 | 0.9 | 173.5 | 82.7 | -17.9 | 0 | 0 | 0 | 114.3 | D1232 S1236 M1237 R1246 N1345 G1375 | D1232-D1343 PolarHBondContact OD2-N 2.64Å; S1236-D1343 VanDerWaalsContact CB-OD2 3.31Å; S1236-D1343 WeakPolarHBondContact CB-OD2 3.37Å; S1236-D1343 PolarHBondContact OG-OD2 3.14Å; M1237-D1343 HydrophobicContact CG-CB 4.47Å; M1237-D1343 HydrophobicContact SD-CB 3.53Å; M1237-D1343 VanDerWaalsContact SD-CB 3.53Å; R1246-D1343 IonicContact NH1-OD2 2.78Å; R1246-D1343 PolarHBondContact NH1-OD2 3.35Å; D1343-N1345 PolarHBondContact O-N 3.21Å; D1343-N1345 WeakPolarHBondContact OD1-CB 3.3Å; D1343-N1345 PolarHBondContact OD1-N 3.08Å; D1343-N1345 WeakPolarHBondContact OD2-CB 3.29Å; D1343-G1375 CarbonylContact O-C 3.55Å; D1343-G1375 VanDerWaalsContact O-C 3.27Å | ||
| 1344 | A | 82.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 60.8 | 14.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1342 L1346 F1373 G1375 E1380 A1381 L1384 | S1342-A1344 PolarHBondContact O-N 3.14Å; S1342-A1344 PolarHBondContact OG-N 3.2Å; A1344-L1346 VanDerWaalsContact C-N 3.25Å; A1344-L1346 PolarHBondContact O-N 3.07Å; A1344-F1373 HydrophobicContact CB-CB 4.08Å; A1344-F1373 HydrophobicContact CB-CD1 3.54Å; A1344-F1373 HydrophobicContact CB-CE1 4.21Å; A1344-F1373 HydrophobicContact CB-CG 3.94Å; A1344-G1375 WeakPolarHBondContact CB-O 3.18Å; A1344-E1380 WeakPolarHBondContact O-CG 3.35Å; A1344-E1380 VanDerWaalsContact O-OE1 3.13Å; A1344-A1381 HydrophobicContact CB-CB 3.62Å; A1344-L1384 HydrophobicContact CB-CD1 4.07Å |
| 1345 | N | 81.7 | Confident | 83.5 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | trans | -90.6 | 47.2 | -177.3 | -178.4 | 36.3 | 0 | 0 | 0 | 111.8 | D1343 R1348 Y1349 I1377 | D1343-N1345 PolarHBondContact O-N 3.21Å; D1343-N1345 WeakPolarHBondContact OD1-CB 3.3Å; D1343-N1345 PolarHBondContact OD1-N 3.08Å; D1343-N1345 WeakPolarHBondContact OD2-CB 3.29Å; N1345-R1348 WeakPolarHBondContact OD1-CB 3.48Å; N1345-Y1349 WeakPolarHBondContact O-CD2 3.38Å; N1345-I1377 HydrophobicContact CB-CD1 4.17Å; N1345-I1377 WeakPolarHBondContact OD1-CD1 3.21Å | ||
| 1346 | L | 80.9 | Confident | 84 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | trans | -74.5 | -35.5 | -173 | -63 | -179.2 | 0 | 0 | 0 | 112.4 | A1344 R1348 Y1349 G1350 I1351 F1356 E1380 L1384 | A1344-L1346 VanDerWaalsContact C-N 3.25Å; A1344-L1346 PolarHBondContact O-N 3.07Å; L1346-R1348 VanDerWaalsContact C-N 3.26Å; L1346-R1348 PolarHBondContact O-N 2.82Å; L1346-Y1349 PolarHBondContact O-N 3.49Å; L1346-Y1349 VanDerWaalsContact O-N 3.13Å; L1346-G1350 PolarHBondContact O-N 2.94Å; L1346-I1351 HydrophobicContact CB-CB 4.21Å; L1346-I1351 HydrophobicContact CB-CG2 4.4Å; L1346-I1351 HydrophobicContact CD2-CD1 4.36Å; L1346-I1351 PolarHBondContact O-N 3.48Å; L1346-F1356 HydrophobicContact CD1-CB 4.37Å; L1346-F1356 HydrophobicContact CD1-CD2 3.6Å; L1346-F1356 HydrophobicContact CD1-CE2 4.04Å; L1346-F1356 HydrophobicContact CD1-CG 4.02Å; L1346-F1356 HydrophobicContact CD2-CD2 4.31Å; L1346-F1356 HydrophobicContact CD2-CE2 4.4Å; L1346-E1380 PolarHBondContact N-OE1 3.17Å; L1346-L1384 HydrophobicContact CB-CD1 4.49Å; L1346-L1384 HydrophobicContact CD1-CD1 3.72Å; L1346-L1384 HydrophobicContact CD1-CD2 3.92Å; L1346-L1384 HydrophobicContact CD1-CG 4.49Å; L1346-L1384 HydrophobicContact CG-CD1 4.11Å | ||
| 1347 | S | 78.9 | Confident | 83.7 | Confident | 80 Ų | 80 | 30.3 Ų | 30.3 | 56% | 0.559 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -61 | -33.3 | -177.7 | 58.1 | 0 | 0 | 0 | 0 | 113.2 | Y1349 G1350 E1380 | S1347-Y1349 PolarHBondContact O-N 3.04Å; S1347-G1350 PolarHBondContact O-N 3.25Å; S1347-G1350 VanDerWaalsContact O-N 3.16Å; S1347-E1380 WeakPolarHBondContact CB-OE1 3.44Å; S1347-E1380 PolarHBondContact N-OE1 3.17Å; S1347-E1380 VanDerWaalsContact OG-CD 3.27Å; S1347-E1380 PolarHBondContact OG-OE1 2.93Å; S1347-E1380 PolarHBondContact OG-OE2 2.85Å |
| 1348 | R | 78.4 | Confident | 83.3 | Confident | 126 Ų | 126 | 39.2 Ų | 39.2 | 48% | 0.475 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -61.8 | -28.5 | 178.3 | -177 | 176 | 178.7 | -161.6 | -8.6 | 113.1 | N1345 L1346 | N1345-R1348 WeakPolarHBondContact OD1-CB 3.48Å; L1346-R1348 VanDerWaalsContact C-N 3.26Å; L1346-R1348 PolarHBondContact O-N 2.82Å |
| 1349 | Y | 80.2 | Confident | 82.7 | Confident | 66 Ų | 66 | 40 Ų | 40 | 26% | 0.259 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -103 | 9.6 | -178.5 | -55.7 | -72.9 | 0 | 0 | 0 | 112.6 | G1314 D1315 N1345 L1346 S1347 I1351 | G1314-Y1349 PolarHBondContact O-OH 3.07Å; D1315-Y1349 HydrophobicContact CB-CD1 3.78Å; D1315-Y1349 HydrophobicContact CB-CD2 3.51Å; D1315-Y1349 HydrophobicContact CB-CE1 4.2Å; D1315-Y1349 HydrophobicContact CB-CE2 3.92Å; D1315-Y1349 HydrophobicContact CB-CG 3.4Å; D1315-Y1349 VanDerWaalsContact CB-CG 3.4Å; N1345-Y1349 WeakPolarHBondContact O-CD2 3.38Å; L1346-Y1349 PolarHBondContact O-N 3.49Å; L1346-Y1349 VanDerWaalsContact O-N 3.13Å; S1347-Y1349 PolarHBondContact O-N 3.04Å; Y1349-I1351 VanDerWaalsContact C-N 3.27Å; Y1349-I1351 PolarHBondContact O-N 2.88Å |
| 1350 | G | 78.7 | Confident | 82.1 | Confident | 63 Ų | 63 | 40 Ų | 40 | 65% | 0.649 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73 | 15.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1346 S1347 A1352 | L1346-G1350 PolarHBondContact O-N 2.94Å; S1347-G1350 PolarHBondContact O-N 3.25Å; S1347-G1350 VanDerWaalsContact O-N 3.16Å; G1350-A1352 PolarHBondContact O-N 3.41Å |
| 1351 | I | 82.2 | Confident | 81.2 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | trans | -80.9 | 112.7 | 178.5 | -66.8 | 167 | 0 | 0 | 0 | 109 | D1315 L1318 L1346 Y1349 | D1315-I1351 WeakPolarHBondContact OD2-CD1 3.11Å; L1318-I1351 HydrophobicContact CD1-CD1 4.22Å; L1318-I1351 HydrophobicContact CD1-CG1 4.03Å; L1318-I1351 HydrophobicContact CD1-CG2 3.89Å; L1318-I1351 HydrophobicContact CD2-CG2 4.35Å; L1318-I1351 HydrophobicContact CG-CD1 4.15Å; L1318-I1351 HydrophobicContact CG-CG1 4.48Å; L1318-I1351 HydrophobicContact CG-CG2 4.22Å; L1346-I1351 HydrophobicContact CB-CB 4.21Å; L1346-I1351 HydrophobicContact CB-CG2 4.4Å; L1346-I1351 HydrophobicContact CD2-CD1 4.36Å; L1346-I1351 PolarHBondContact O-N 3.48Å; Y1349-I1351 VanDerWaalsContact C-N 3.27Å; Y1349-I1351 PolarHBondContact O-N 2.88Å | ||
| 1352 | A | 83.1 | Confident | 79.8 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | trans | -72.6 | 144.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G1350 S1354 E1355 F1356 | G1350-A1352 PolarHBondContact O-N 3.41Å; A1352-S1354 PolarHBondContact O-N 3.25Å; A1352-S1354 VanDerWaalsContact O-N 3.13Å; A1352-E1355 HydrophobicContact CB-CG 4.26Å; A1352-E1355 WeakPolarHBondContact O-CB 2.97Å; A1352-E1355 PolarHBondContact O-N 3.01Å; A1352-F1356 PolarHBondContact O-N 3.2Å | ||
| 1353 | P | 79.6 | Confident | 78.2 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 23% | 0.234 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.2 | -28.9 | 177 | -27.8 | 38.4 | 0 | 0 | 0 | 113.4 | F1356 C1357 L1384 E1387 | P1353-F1356 PolarHBondContact O-N 3.21Å; P1353-C1357 VanDerWaalsContact O-CB 3.28Å; P1353-C1357 WeakPolarHBondContact O-CB 3.42Å; P1353-C1357 PolarHBondContact O-N 2.93Å; P1353-L1384 HydrophobicContact CB-CD2 3.9Å; P1353-L1384 HydrophobicContact CG-CD2 3.67Å; P1353-E1387 HydrophobicContact CB-CB 4.09Å; P1353-E1387 WeakPolarHBondContact CB-OE2 3.48Å; P1353-E1387 WeakPolarHBondContact CG-OE2 3.44Å |
| 1354 | S | 79.4 | Confident | 76.8 | Confident | 85 Ų | 85 | 53.3 Ų | 53.3 | 59% | 0.594 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65 | -36.4 | 173.3 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | A1352 C1357 R1358 | A1352-S1354 PolarHBondContact O-N 3.25Å; A1352-S1354 VanDerWaalsContact O-N 3.13Å; S1354-C1357 PolarHBondContact O-N 3.25Å; S1354-R1358 WeakPolarHBondContact O-CB 3.1Å; S1354-R1358 PolarHBondContact O-N 3.32Å |
| 1355 | E | 81.1 | Confident | 75.9 | Confident | 82 Ų | 82 | 59.8 Ų | 59.8 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.3 | -42 | 175.9 | -67 | -179.2 | 157.8 | 0 | 0 | 111.1 | L1318 A1352 C1357 R1358 A1359 | L1318-E1355 HydrophobicContact CD1-CB 4.3Å; A1352-E1355 HydrophobicContact CB-CG 4.26Å; A1352-E1355 WeakPolarHBondContact O-CB 2.97Å; A1352-E1355 PolarHBondContact O-N 3.01Å; E1355-C1357 VanDerWaalsContact C-N 3.35Å; E1355-R1358 PolarHBondContact O-N 3.32Å; E1355-A1359 PolarHBondContact O-N 3.02Å |
| 1356 | F | 83.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 173.5 | -163.6 | -84.3 | 0 | 0 | 0 | 111.4 | T1317 L1318 M1321 L1346 A1352 P1353 R1358 A1359 M1360 A1371 L1388 | T1317-F1356 HydrophobicContact CG2-CE2 3.83Å; L1318-F1356 HydrophobicContact CD2-CB 4.45Å; L1318-F1356 HydrophobicContact CD2-CD2 4.09Å; M1321-F1356 HydrophobicContact CE-CE1 4.3Å; M1321-F1356 HydrophobicContact CE-CE2 4.4Å; M1321-F1356 HydrophobicContact CE-CZ 4.13Å; M1321-F1356 HydrophobicContact SD-CD2 4.15Å; M1321-F1356 HydrophobicContact SD-CE1 4.44Å; M1321-F1356 HydrophobicContact SD-CE2 3.55Å; M1321-F1356 VanDerWaalsContact SD-CE2 3.55Å; M1321-F1356 HydrophobicContact SD-CZ 3.72Å; L1346-F1356 HydrophobicContact CD1-CB 4.37Å; L1346-F1356 HydrophobicContact CD1-CD2 3.6Å; L1346-F1356 HydrophobicContact CD1-CE2 4.04Å; L1346-F1356 HydrophobicContact CD1-CG 4.02Å; L1346-F1356 HydrophobicContact CD2-CD2 4.31Å; L1346-F1356 HydrophobicContact CD2-CE2 4.4Å; A1352-F1356 PolarHBondContact O-N 3.2Å; P1353-F1356 PolarHBondContact O-N 3.21Å; F1356-R1358 VanDerWaalsContact C-N 3.35Å; F1356-R1358 PolarHBondContact O-N 2.8Å; F1356-A1359 PolarHBondContact O-N 3.07Å; F1356-M1360 HydrophobicContact CD1-CG 4.04Å; F1356-M1360 HydrophobicContact CD1-SD 3.92Å; F1356-M1360 HydrophobicContact CE1-CG 3.96Å; F1356-M1360 HydrophobicContact CE1-SD 3.7Å; F1356-M1360 WeakPolarHBondContact O-CG 3.41Å; F1356-M1360 PolarHBondContact O-N 3.29Å; F1356-A1371 HydrophobicContact CE1-CB 3.91Å; F1356-A1371 HydrophobicContact CZ-CB 4.17Å; F1356-L1388 HydrophobicContact CB-CD2 4.37Å; F1356-L1388 HydrophobicContact CD1-CD1 3.76Å; F1356-L1388 HydrophobicContact CD1-CD2 3.67Å; F1356-L1388 HydrophobicContact CD1-CG 4.38Å; F1356-L1388 HydrophobicContact CE1-CD1 3.91Å; F1356-L1388 HydrophobicContact CG-CD2 4.48Å |
| 1357 | C | 80.3 | Confident | 75.5 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 20% | 0.203 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.4 | -43 | 174.2 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | P1353 S1354 E1355 A1359 M1360 N1361 L1388 | P1353-C1357 VanDerWaalsContact O-CB 3.28Å; P1353-C1357 WeakPolarHBondContact O-CB 3.42Å; P1353-C1357 PolarHBondContact O-N 2.93Å; S1354-C1357 PolarHBondContact O-N 3.25Å; E1355-C1357 VanDerWaalsContact C-N 3.35Å; C1357-A1359 VanDerWaalsContact C-N 3.31Å; C1357-A1359 PolarHBondContact O-N 3.02Å; C1357-M1360 PolarHBondContact O-N 2.88Å; C1357-M1360 VanDerWaalsContact O-N 3.16Å; C1357-N1361 PolarHBondContact O-N 3.01Å; C1357-N1361 VanDerWaalsContact O-N 3.15Å; C1357-L1388 HydrophobicContact CB-CD2 3.83Å |
| 1358 | R | 79.3 | Confident | 75.7 | Confident | 189 Ų | 189 | 61.5 Ų | 61.5 | 71% | 0.713 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.7 | -38 | 175.3 | -169.3 | 179.4 | 68.8 | 175.6 | -0.9 | 111.8 | S1354 E1355 F1356 M1360 N1361 | S1354-R1358 WeakPolarHBondContact O-CB 3.1Å; S1354-R1358 PolarHBondContact O-N 3.32Å; E1355-R1358 PolarHBondContact O-N 3.32Å; F1356-R1358 VanDerWaalsContact C-N 3.35Å; F1356-R1358 PolarHBondContact O-N 2.8Å; R1358-M1360 VanDerWaalsContact C-N 3.34Å; R1358-N1361 CarbonylContact O-C 3.33Å; R1358-N1361 PolarHBondContact O-N 2.85Å |
| 1359 | A | 79 | Confident | 76.1 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 13% | 0.132 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.5 | -31.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1318 M1321 I1325 E1355 F1356 C1357 N1361 | L1318-A1359 HydrophobicContact CD2-CB 3.93Å; M1321-A1359 HydrophobicContact CE-CB 3.94Å; I1325-A1359 WeakPolarHBondContact CD1-O 3.18Å; E1355-A1359 PolarHBondContact O-N 3.02Å; F1356-A1359 PolarHBondContact O-N 3.07Å; C1357-A1359 VanDerWaalsContact C-N 3.31Å; C1357-A1359 PolarHBondContact O-N 3.02Å; A1359-N1361 VanDerWaalsContact C-N 3.33Å |
| 1360 | M | 78.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -73.6 | -21.5 | 175.4 | -71.7 | -170.4 | 73 | 0 | 0 | 114.3 | M1321 F1356 C1357 R1358 P1362 V1369 A1371 L1388 R1392 | M1321-M1360 HydrophobicContact CE-CG 3.85Å; F1356-M1360 HydrophobicContact CD1-CG 4.04Å; F1356-M1360 HydrophobicContact CD1-SD 3.92Å; F1356-M1360 HydrophobicContact CE1-CG 3.96Å; F1356-M1360 HydrophobicContact CE1-SD 3.7Å; F1356-M1360 WeakPolarHBondContact O-CG 3.41Å; F1356-M1360 PolarHBondContact O-N 3.29Å; C1357-M1360 PolarHBondContact O-N 2.88Å; C1357-M1360 VanDerWaalsContact O-N 3.16Å; R1358-M1360 VanDerWaalsContact C-N 3.34Å; M1360-P1362 WeakPolarHBondContact O-CD 3.04Å; M1360-V1369 HydrophobicContact CB-CB 4.48Å; M1360-V1369 HydrophobicContact CB-CG1 4.44Å; M1360-V1369 HydrophobicContact CE-CG1 4.38Å; M1360-V1369 WeakPolarHBondContact CE-O 3.47Å; M1360-V1369 HydrophobicContact CG-CG1 4.11Å; M1360-A1371 HydrophobicContact CE-CB 4.26Å; M1360-A1371 HydrophobicContact SD-CB 4.28Å; M1360-L1388 HydrophobicContact SD-CD1 4.2Å; M1360-L1388 HydrophobicContact SD-CD2 4.13Å; M1360-R1392 HydrophobicContact CE-CB 3.57Å |
| 1361 | N | 73.2 | Confident | 77.1 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -113.8 | 73.2 | 179.1 | -67.5 | -28.5 | 0 | 0 | 0 | 109.5 | C1357 R1358 A1359 R1392 | C1357-N1361 PolarHBondContact O-N 3.01Å; C1357-N1361 VanDerWaalsContact O-N 3.15Å; R1358-N1361 CarbonylContact O-C 3.33Å; R1358-N1361 PolarHBondContact O-N 2.85Å; A1359-N1361 VanDerWaalsContact C-N 3.33Å; N1361-R1392 PolarHBondContact OD1-NH1 3Å |
| 1362 | P | 62.5 | Low | 77.5 | Confident | 22 Ų | 22 | 49 Ų | 49 | 14% | 0.143 | 27% | 0.272 | C | S | . | . | trans | -61.6 | 153.5 | 179.5 | 26.7 | -33.9 | 0 | 0 | 0 | 111.4 | I1325 M1360 N1364 | I1325-P1362 HydrophobicContact CD1-CB 4.46Å; I1325-P1362 HydrophobicContact CD1-CG 4.43Å; I1325-P1362 HydrophobicContact CG2-CB 3.69Å; I1325-P1362 HydrophobicContact CG2-CG 3.88Å; M1360-P1362 WeakPolarHBondContact O-CD 3.04Å; P1362-N1364 PolarHBondContact O-N 2.98Å | ||
| 1363 | S | 54.7 | Low | 77.8 | Confident | 87 Ų | 87 | 47.3 Ų | 47.3 | 61% | 0.608 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -58.5 | -23.1 | 179.1 | -33.2 | 0 | 0 | 0 | 0 | 113.6 | R287 | R287-S1363 PolarHBondContact NH1-O 2.86Š|
| 1364 | N | 54.5 | Low | 77.9 | Confident | 103 Ų | 103 | 45.7 Ų | 45.7 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -102.7 | 110.1 | 175.9 | -74.3 | -16.1 | 0 | 0 | 0 | 108.7 | P1362 N1366 | P1362-N1364 PolarHBondContact O-N 2.98Å; N1364-N1366 PolarHBondContact O-N 3.21Å |
| 1365 | D | 62.6 | Low | 77.9 | Confident | 136 Ų | 136 | 41.9 Ų | 41.9 | 73% | 0.727 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 7.3 | -175.4 | -73 | -39.3 | 0 | 0 | 0 | 114.9 | V1367 | D1365-V1367 VanDerWaalsContact C-N 3.34Å; D1365-V1367 PolarHBondContact O-N 2.79Å |
| 1366 | N | 72.8 | Confident | 77.7 | Confident | 103 Ų | 103 | 39.3 Ų | 39.3 | 55% | 0.551 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -6.6 | -172.6 | -66.3 | 7.6 | 0 | 0 | 0 | 114.6 | N1364 | N1364-N1366 PolarHBondContact O-N 3.21Š|
| 1367 | V | 81.6 | Confident | 77.1 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | trans | -125 | 119.2 | -178.9 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | L1328 R1336 L1338 D1365 V1369 | L1328-V1367 HydrophobicContact CB-CG1 4.27Å; L1328-V1367 HydrophobicContact CB-CG2 3.97Å; L1328-V1367 HydrophobicContact CD1-CG1 3.88Å; R1336-V1367 HydrophobicContact CB-CB 4.46Å; R1336-V1367 HydrophobicContact CB-CG1 4.4Å; R1336-V1367 HydrophobicContact CB-CG2 4.03Å; R1336-V1367 WeakPolarHBondContact O-CA 3.38Å; L1338-V1367 HydrophobicContact CB-CG1 4.32Å; D1365-V1367 VanDerWaalsContact C-N 3.34Å; D1365-V1367 PolarHBondContact O-N 2.79Å; V1367-V1369 HydrophobicContact CG1-CG2 4.33Å | ||
| 1368 | S | 83.5 | Confident | 76.8 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 115.1 | 177 | -72.2 | 0 | 0 | 0 | 0 | 110.7 | R1336 L1337 L1338 | R1336-S1368 PolarHBondContact O-N 3.31Å; L1337-S1368 WeakPolarHBondContact CA-O 3.48Å; L1338-S1368 PolarHBondContact N-O 3.28Å |
| 1369 | V | 87.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.4 | -175.4 | -172.5 | 0 | 0 | 0 | 0 | 111 | M1321 I1325 L1338 V1340 M1360 V1367 R1392 | M1321-V1369 HydrophobicContact CE-CG1 4.11Å; I1325-V1369 HydrophobicContact CD1-CG2 3.98Å; I1325-V1369 HydrophobicContact CG1-CG2 4.08Å; L1338-V1369 HydrophobicContact CB-CG1 4.4Å; L1338-V1369 HydrophobicContact CB-CG2 4.28Å; L1338-V1369 HydrophobicContact CD2-CG1 4.08Å; L1338-V1369 HydrophobicContact CD2-CG2 4.27Å; L1338-V1369 HydrophobicContact CG-CG1 4.33Å; L1338-V1369 CarbonylContact O-C 3.5Å; L1338-V1369 WeakPolarHBondContact O-CA 3.44Å; V1340-V1369 HydrophobicContact CG2-CG1 4.35Å; M1360-V1369 HydrophobicContact CB-CB 4.48Å; M1360-V1369 HydrophobicContact CB-CG1 4.44Å; M1360-V1369 HydrophobicContact CE-CG1 4.38Å; M1360-V1369 WeakPolarHBondContact CE-O 3.47Å; M1360-V1369 HydrophobicContact CG-CG1 4.11Å; V1367-V1369 HydrophobicContact CG1-CG2 4.33Å; V1369-R1392 WeakPolarHBondContact O-CD 3.2Å |
| 1370 | Y | 89.5 | Confident | 76.7 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.9 | 177.2 | -58.8 | -96.9 | 0 | 0 | 0 | 110.3 | L1337 L1338 I1339 V1340 R1392 F1394 I1409 S1412 | L1337-Y1370 HydrophobicContact CD2-CE2 3.78Å; L1338-Y1370 PolarHBondContact O-N 2.95Å; I1339-Y1370 CarbonylContact C-O 3.53Å; I1339-Y1370 WeakPolarHBondContact CA-O 3.44Å; V1340-Y1370 PolarHBondContact N-O 3.5Å; Y1370-R1392 CarbonylContact C-O 3.55Å; Y1370-R1392 WeakPolarHBondContact CA-O 3.49Å; Y1370-R1392 HydrophobicContact CD1-CB 4.32Å; Y1370-R1392 HydrophobicContact CD1-CG 4.34Å; Y1370-R1392 HydrophobicContact CE1-CG 4.29Å; Y1370-F1394 HydrophobicContact CD1-CE2 4.12Å; Y1370-I1409 HydrophobicContact CD1-CB 4.45Å; Y1370-I1409 HydrophobicContact CD1-CD1 4.26Å; Y1370-I1409 HydrophobicContact CD1-CG1 3.71Å; Y1370-I1409 HydrophobicContact CD1-CG2 4.21Å; Y1370-I1409 HydrophobicContact CD2-CG2 3.7Å; Y1370-I1409 HydrophobicContact CE1-CB 4.48Å; Y1370-I1409 HydrophobicContact CE1-CG1 4.12Å; Y1370-I1409 HydrophobicContact CE1-CG2 4.23Å; Y1370-I1409 HydrophobicContact CE2-CG2 3.73Å; Y1370-I1409 HydrophobicContact CG-CD1 4.1Å; Y1370-I1409 HydrophobicContact CG-CG1 3.95Å; Y1370-I1409 HydrophobicContact CG-CG2 3.96Å; Y1370-S1412 PolarHBondContact OH-OG 3.23Å |
| 1371 | A | 89.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1340 F1356 M1360 F1373 R1392 S1393 F1394 | V1340-A1371 CarbonylContact O-C 3.55Å; V1340-A1371 WeakPolarHBondContact O-CA 3.48Å; F1356-A1371 HydrophobicContact CE1-CB 3.91Å; F1356-A1371 HydrophobicContact CZ-CB 4.17Å; M1360-A1371 HydrophobicContact CE-CB 4.26Å; M1360-A1371 HydrophobicContact SD-CB 4.28Å; A1371-F1373 HydrophobicContact CB-CZ 4.44Å; A1371-R1392 PolarHBondContact N-O 3.02Å; A1371-S1393 CarbonylContact O-C 3.57Å; A1371-S1393 VanDerWaalsContact O-CA 3.32Å; A1371-S1393 WeakPolarHBondContact O-CA 3.44Å; A1371-F1394 PolarHBondContact O-N 3.35Å |
| 1372 | I | 90.3 | Very high | 77.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 111.9 | 176.1 | -54.6 | -173.4 | 0 | 0 | 0 | 108.1 | I1339 V1340 F1341 S1342 M1374 F1394 C1396 L1402 I1405 I1409 | I1339-I1372 HydrophobicContact CG2-CD1 3.81Å; I1339-I1372 HydrophobicContact CG2-CG1 4.08Å; V1340-I1372 PolarHBondContact O-N 3.45Å; F1341-I1372 WeakPolarHBondContact CA-O 3.39Å; F1341-I1372 HydrophobicContact CD1-CB 3.94Å; F1341-I1372 HydrophobicContact CD1-CD1 4.49Å; F1341-I1372 HydrophobicContact CE1-CB 4.24Å; F1341-I1372 HydrophobicContact CE1-CD1 3.95Å; F1341-I1372 HydrophobicContact CE1-CG1 4.44Å; S1342-I1372 PolarHBondContact N-O 3.15Å; S1342-I1372 VanDerWaalsContact N-O 3.1Å; I1372-M1374 HydrophobicContact CG2-SD 3.71Å; I1372-M1374 PolarHBondContact O-N 3.33Å; I1372-F1394 WeakPolarHBondContact CA-O 3.45Å; I1372-F1394 HydrophobicContact CG1-CB 4.33Å; I1372-F1394 HydrophobicContact CG1-CD2 4.35Å; I1372-C1396 HydrophobicContact CG2-CB 3.72Å; I1372-L1402 HydrophobicContact CD1-CD1 3.71Å; I1372-L1402 HydrophobicContact CG2-CD1 4.39Å; I1372-I1405 HydrophobicContact CD1-CB 4.48Å; I1372-I1405 HydrophobicContact CD1-CG2 3.48Å; I1372-I1405 VanDerWaalsContact CD1-CG2 3.48Å; I1372-I1405 HydrophobicContact CG1-CG2 4.1Å; I1372-I1409 HydrophobicContact CD1-CD1 3.99Å |
| 1373 | F | 88.9 | Confident | 78 | Confident | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 109.6 | 177.6 | -61.4 | -61.3 | 0 | 0 | 0 | 109.9 | S1342 A1344 A1371 A1381 L1384 L1388 F1394 V1395 C1396 | S1342-F1373 CarbonylContact O-C 3.6Å; S1342-F1373 WeakPolarHBondContact O-CA 3.25Å; A1344-F1373 HydrophobicContact CB-CB 4.08Å; A1344-F1373 HydrophobicContact CB-CD1 3.54Å; A1344-F1373 HydrophobicContact CB-CE1 4.21Å; A1344-F1373 HydrophobicContact CB-CG 3.94Å; A1371-F1373 HydrophobicContact CB-CZ 4.44Å; F1373-A1381 HydrophobicContact CB-CB 3.8Å; F1373-A1381 HydrophobicContact CD2-CB 4.39Å; F1373-A1381 HydrophobicContact CG-CB 4.16Å; F1373-L1384 HydrophobicContact CE1-CD1 3.94Å; F1373-L1384 HydrophobicContact CE2-CB 3.82Å; F1373-L1384 HydrophobicContact CZ-CB 3.76Å; F1373-L1384 HydrophobicContact CZ-CD1 3.94Å; F1373-L1384 HydrophobicContact CZ-CG 4.46Å; F1373-L1388 HydrophobicContact CE2-CD1 4Å; F1373-L1388 HydrophobicContact CZ-CD1 3.71Å; F1373-F1394 WeakPolarHBondContact CD2-O 3.32Å; F1373-F1394 PolarHBondContact N-O 3.42Å; F1373-V1395 HydrophobicContact CB-CG2 4.36Å; F1373-V1395 HydrophobicContact CD2-CG2 4.2Å; F1373-C1396 PolarHBondContact O-N 2.72Å |
| 1374 | M | 82.6 | Confident | 79.2 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | trans | -90.4 | -11.1 | -176.2 | -61.9 | -58.4 | -64.3 | 0 | 0 | 112.8 | R1249 S1253 F1341 S1342 I1372 C1396 | R1249-M1374 HydrophobicContact CB-CE 3.62Å; R1249-M1374 VanDerWaalsContact CZ-O 3.27Å; R1249-M1374 PolarHBondContact NE-O 3.21Å; R1249-M1374 PolarHBondContact NH2-O 2.62Å; S1253-M1374 WeakPolarHBondContact OG-CE 3.4Å; F1341-M1374 HydrophobicContact CB-CG 3.99Å; F1341-M1374 HydrophobicContact CG-CG 4.14Å; S1342-M1374 PolarHBondContact O-N 3.21Å; I1372-M1374 HydrophobicContact CG2-SD 3.71Å; I1372-M1374 PolarHBondContact O-N 3.33Å; M1374-C1396 HydrophobicContact SD-CB 3.83Å | ||
| 1375 | G | 79.1 | Confident | 80.4 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 6% | 0.062 | 22% | 0.219 | C | C | . | . | trans | -143.4 | 168.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | D1343 A1344 | D1343-G1375 CarbonylContact O-C 3.55Å; D1343-G1375 VanDerWaalsContact O-C 3.27Å; A1344-G1375 WeakPolarHBondContact CB-O 3.18Å | ||
| 1376 | S | 76.4 | Confident | 81 | Confident | 28 Ų | 28 | 39.7 Ų | 39.7 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | trans | -156.3 | 132.4 | 173.2 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | G1378 E1380 A1381 | S1376-G1378 PolarHBondContact OG-O 2.83Å; S1376-E1380 PolarHBondContact OG-N 3.47Å; S1376-A1381 WeakPolarHBondContact OG-CB 3.26Å; S1376-A1381 PolarHBondContact OG-N 3.04Å | ||
| 1377 | I | 72.9 | Confident | 81.3 | Confident | 68 Ų | 68 | 40.7 Ų | 40.7 | 35% | 0.349 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -92.5 | 106.8 | 166.7 | -60.7 | 176.8 | 0 | 0 | 0 | 106.7 | F1240 N1345 D1379 | F1240-I1377 HydrophobicContact CD2-CD1 4.37Å; F1240-I1377 HydrophobicContact CE2-CD1 3.88Å; F1240-I1377 HydrophobicContact CZ-CD1 4.09Å; N1345-I1377 HydrophobicContact CB-CD1 4.17Å; N1345-I1377 WeakPolarHBondContact OD1-CD1 3.21Å; I1377-D1379 PolarHBondContact O-N 3.46Å |
| 1378 | G | 73.3 | Confident | 81.2 | Confident | 68 Ų | 68 | 40.8 Ų | 40.8 | 70% | 0.701 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | -132.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1376 | S1376-G1378 PolarHBondContact OG-O 2.83Š|
| 1379 | D | 78.2 | Confident | 80.5 | Confident | 79 Ų | 79 | 41.3 Ų | 41.3 | 42% | 0.422 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 12.4 | -177.4 | 66.6 | -29.6 | 0 | 0 | 0 | 114.4 | I1377 A1381 V1382 R1383 | I1377-D1379 PolarHBondContact O-N 3.46Å; D1379-A1381 PolarHBondContact O-N 3.14Å; D1379-V1382 PolarHBondContact O-N 3.01Å; D1379-V1382 VanDerWaalsContact O-N 3.08Å; D1379-R1383 VanDerWaalsContact CG-NH2 3.31Å; D1379-R1383 PolarHBondContact O-N 3.28Å; D1379-R1383 IonicContact OD1-CZ 3.5Å; D1379-R1383 IonicContact OD1-NE 3.98Å; D1379-R1383 PolarHBondContact OD1-NE 3.25Å; D1379-R1383 IonicContact OD1-NH2 2.61Å; D1379-R1383 PolarHBondContact OD1-NH2 2.76Å; D1379-R1383 IonicContact OD2-CZ 3.45Å; D1379-R1383 VanDerWaalsContact OD2-CZ 3.24Å; D1379-R1383 IonicContact OD2-NE 2.78Å; D1379-R1383 PolarHBondContact OD2-NE 2.93Å; D1379-R1383 IonicContact OD2-NH2 3.54Å; D1379-R1383 PolarHBondContact OD2-NH2 3.19Å |
| 1380 | E | 78.3 | Confident | 79.5 | Confident | 26 Ų | 26 | 46.6 Ų | 46.6 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.5 | -47.2 | -175.3 | -167.9 | 173 | -174.1 | 0 | 0 | 113.1 | A1344 L1346 S1347 S1376 V1382 R1383 L1384 | A1344-E1380 WeakPolarHBondContact O-CG 3.35Å; A1344-E1380 VanDerWaalsContact O-OE1 3.13Å; L1346-E1380 PolarHBondContact N-OE1 3.17Å; S1347-E1380 WeakPolarHBondContact CB-OE1 3.44Å; S1347-E1380 PolarHBondContact N-OE1 3.17Å; S1347-E1380 VanDerWaalsContact OG-CD 3.27Å; S1347-E1380 PolarHBondContact OG-OE1 2.93Å; S1347-E1380 PolarHBondContact OG-OE2 2.85Å; S1376-E1380 PolarHBondContact OG-N 3.47Å; E1380-V1382 PolarHBondContact O-N 3.38Å; E1380-R1383 CarbonylContact O-C 3.57Å; E1380-R1383 WeakPolarHBondContact O-CB 3.24Å; E1380-R1383 PolarHBondContact O-N 3.04Å; E1380-L1384 HydrophobicContact CG-CD1 4.18Å; E1380-L1384 HydrophobicContact CG-CG 4.47Å; E1380-L1384 WeakPolarHBondContact O-CG 3.34Å; E1380-L1384 PolarHBondContact O-N 3.31Å |
| 1381 | A | 81.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60 | -35.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1344 F1373 S1376 D1379 R1385 V1395 | A1344-A1381 HydrophobicContact CB-CB 3.62Å; F1373-A1381 HydrophobicContact CB-CB 3.8Å; F1373-A1381 HydrophobicContact CD2-CB 4.39Å; F1373-A1381 HydrophobicContact CG-CB 4.16Å; S1376-A1381 WeakPolarHBondContact OG-CB 3.26Å; S1376-A1381 PolarHBondContact OG-N 3.04Å; D1379-A1381 PolarHBondContact O-N 3.14Å; A1381-R1385 WeakPolarHBondContact O-CB 3.5Å; A1381-R1385 PolarHBondContact O-N 2.95Å; A1381-V1395 HydrophobicContact CB-CG1 4.29Å; A1381-V1395 HydrophobicContact CB-CG2 3.99Å |
| 1382 | V | 80.7 | Confident | 78 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 28% | 0.279 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.8 | -34.3 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | D1379 E1380 K1386 | D1379-V1382 PolarHBondContact O-N 3.01Å; D1379-V1382 VanDerWaalsContact O-N 3.08Å; E1380-V1382 PolarHBondContact O-N 3.38Å; V1382-K1386 HydrophobicContact CG1-CD 4.47Å; V1382-K1386 WeakPolarHBondContact O-CD 3.24Å; V1382-K1386 WeakPolarHBondContact O-CG 3.44Å; V1382-K1386 PolarHBondContact O-N 2.91Å |
| 1383 | R | 79.6 | Confident | 77.7 | Confident | 142 Ų | 142 | 51.7 Ų | 51.7 | 54% | 0.536 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.9 | -45 | 173.2 | -67.5 | -178.1 | -171.9 | 178.1 | 8.3 | 111.6 | D1379 E1380 R1385 K1386 E1387 | D1379-R1383 VanDerWaalsContact CG-NH2 3.31Å; D1379-R1383 PolarHBondContact O-N 3.28Å; D1379-R1383 IonicContact OD1-CZ 3.5Å; D1379-R1383 IonicContact OD1-NE 3.98Å; D1379-R1383 PolarHBondContact OD1-NE 3.25Å; D1379-R1383 IonicContact OD1-NH2 2.61Å; D1379-R1383 PolarHBondContact OD1-NH2 2.76Å; D1379-R1383 IonicContact OD2-CZ 3.45Å; D1379-R1383 VanDerWaalsContact OD2-CZ 3.24Å; D1379-R1383 IonicContact OD2-NE 2.78Å; D1379-R1383 PolarHBondContact OD2-NE 2.93Å; D1379-R1383 IonicContact OD2-NH2 3.54Å; D1379-R1383 PolarHBondContact OD2-NH2 3.19Å; E1380-R1383 CarbonylContact O-C 3.57Å; E1380-R1383 WeakPolarHBondContact O-CB 3.24Å; E1380-R1383 PolarHBondContact O-N 3.04Å; R1383-R1385 PolarHBondContact O-N 3Å; R1383-K1386 VanDerWaalsContact O-CB 3.28Å; R1383-K1386 WeakPolarHBondContact O-CB 3.32Å; R1383-K1386 PolarHBondContact O-N 2.98Å; R1383-K1386 VanDerWaalsContact O-N 3.07Å; R1383-E1387 PolarHBondContact O-N 3.04Å |
| 1384 | L | 80 | Confident | 77.5 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 175.6 | -73.3 | 170.8 | 0 | 0 | 0 | 111.6 | A1344 L1346 P1353 F1373 E1380 K1386 E1387 L1388 | A1344-L1384 HydrophobicContact CB-CD1 4.07Å; L1346-L1384 HydrophobicContact CB-CD1 4.49Å; L1346-L1384 HydrophobicContact CD1-CD1 3.72Å; L1346-L1384 HydrophobicContact CD1-CD2 3.92Å; L1346-L1384 HydrophobicContact CD1-CG 4.49Å; L1346-L1384 HydrophobicContact CG-CD1 4.11Å; P1353-L1384 HydrophobicContact CB-CD2 3.9Å; P1353-L1384 HydrophobicContact CG-CD2 3.67Å; F1373-L1384 HydrophobicContact CE1-CD1 3.94Å; F1373-L1384 HydrophobicContact CE2-CB 3.82Å; F1373-L1384 HydrophobicContact CZ-CB 3.76Å; F1373-L1384 HydrophobicContact CZ-CD1 3.94Å; F1373-L1384 HydrophobicContact CZ-CG 4.46Å; E1380-L1384 HydrophobicContact CG-CD1 4.18Å; E1380-L1384 HydrophobicContact CG-CG 4.47Å; E1380-L1384 WeakPolarHBondContact O-CG 3.34Å; E1380-L1384 PolarHBondContact O-N 3.31Å; L1384-K1386 PolarHBondContact O-N 3.38Å; L1384-K1386 VanDerWaalsContact O-N 3.09Å; L1384-E1387 PolarHBondContact O-N 3.47Å; L1384-L1388 HydrophobicContact CB-CD1 4.47Å; L1384-L1388 WeakPolarHBondContact O-CB 3.5Å; L1384-L1388 VanDerWaalsContact O-CG 3.25Å; L1384-L1388 WeakPolarHBondContact O-CG 3.48Å; L1384-L1388 PolarHBondContact O-N 3.35Å |
| 1385 | R | 79.4 | Confident | 77.6 | Confident | 113 Ų | 113 | 53.3 Ų | 53.3 | 43% | 0.426 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.1 | -29.7 | 175.5 | -177.7 | 176.7 | -178.2 | -170.4 | 2.1 | 113.2 | A1381 R1383 S1393 V1395 | A1381-R1385 WeakPolarHBondContact O-CB 3.5Å; A1381-R1385 PolarHBondContact O-N 2.95Å; R1383-R1385 PolarHBondContact O-N 3Å; R1385-S1393 PolarHBondContact NE-O 3.32Å; R1385-S1393 PolarHBondContact O-OG 3.04Å; R1385-V1395 HydrophobicContact CB-CG2 4.22Å |
| 1386 | K | 75.9 | Confident | 77.8 | Confident | 115 Ų | 115 | 53.1 Ų | 53.1 | 50% | 0.5 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -77.8 | -27.9 | 179.2 | -82.3 | 170.9 | 171.1 | -176.8 | 0 | 113.3 | I587 V1382 R1383 L1384 | I587-K1386 HydrophobicContact CD1-CB 3.57Å; I587-K1386 HydrophobicContact CD1-CD 3.67Å; I587-K1386 HydrophobicContact CD1-CG 3.54Å; I587-K1386 HydrophobicContact CG1-CB 4.03Å; I587-K1386 HydrophobicContact CG1-CD 4.49Å; I587-K1386 HydrophobicContact CG1-CG 3.9Å; V1382-K1386 HydrophobicContact CG1-CD 4.47Å; V1382-K1386 WeakPolarHBondContact O-CD 3.24Å; V1382-K1386 WeakPolarHBondContact O-CG 3.44Å; V1382-K1386 PolarHBondContact O-N 2.91Å; R1383-K1386 VanDerWaalsContact O-CB 3.28Å; R1383-K1386 WeakPolarHBondContact O-CB 3.32Å; R1383-K1386 PolarHBondContact O-N 2.98Å; R1383-K1386 VanDerWaalsContact O-N 3.07Å; L1384-K1386 PolarHBondContact O-N 3.38Å; L1384-K1386 VanDerWaalsContact O-N 3.09Å |
| 1387 | E | 79.2 | Confident | 77.9 | Confident | 124 Ų | 124 | 60 Ų | 60 | 58% | 0.579 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -96.8 | -18.8 | -179.4 | -67.4 | -177.5 | -166.5 | 0 | 0 | 112.9 | P1353 R1383 L1384 | P1353-E1387 HydrophobicContact CB-CB 4.09Å; P1353-E1387 WeakPolarHBondContact CB-OE2 3.48Å; P1353-E1387 WeakPolarHBondContact CG-OE2 3.44Å; R1383-E1387 PolarHBondContact O-N 3.04Å; L1384-E1387 PolarHBondContact O-N 3.47Å |
| 1388 | L | 78.7 | Confident | 78.2 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -84.8 | 161.9 | 177 | -69 | 177 | 0 | 0 | 0 | 113 | F1356 C1357 M1360 F1373 L1384 I1390 | F1356-L1388 HydrophobicContact CB-CD2 4.37Å; F1356-L1388 HydrophobicContact CD1-CD1 3.76Å; F1356-L1388 HydrophobicContact CD1-CD2 3.67Å; F1356-L1388 HydrophobicContact CD1-CG 4.38Å; F1356-L1388 HydrophobicContact CE1-CD1 3.91Å; F1356-L1388 HydrophobicContact CG-CD2 4.48Å; C1357-L1388 HydrophobicContact CB-CD2 3.83Å; M1360-L1388 HydrophobicContact SD-CD1 4.2Å; M1360-L1388 HydrophobicContact SD-CD2 4.13Å; F1373-L1388 HydrophobicContact CE2-CD1 4Å; F1373-L1388 HydrophobicContact CZ-CD1 3.71Å; L1384-L1388 HydrophobicContact CB-CD1 4.47Å; L1384-L1388 WeakPolarHBondContact O-CB 3.5Å; L1384-L1388 VanDerWaalsContact O-CG 3.25Å; L1384-L1388 WeakPolarHBondContact O-CG 3.48Å; L1384-L1388 PolarHBondContact O-N 3.35Å; L1388-I1390 PolarHBondContact O-N 3.07Å |
| 1389 | P | 68.8 | Low | 78.2 | Confident | 30 Ų | 30 | 60 Ų | 60 | 20% | 0.195 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 133 | -178.4 | -23.1 | 33.4 | 0 | 0 | 0 | 112.4 | G1391 R1392 | P1389-G1391 PolarHBondContact O-N 3.16Å; P1389-R1392 HydrophobicContact CB-CB 4.36Å; P1389-R1392 PolarHBondContact O-N 2.95Å |
| 1390 | I | 67.3 | Low | 78 | Confident | 110 Ų | 110 | 59.5 Ų | 59.5 | 56% | 0.564 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 133.7 | -177.9 | -63.4 | 162.9 | 0 | 0 | 0 | 110.1 | L590 L1388 R1392 | L590-I1390 HydrophobicContact CD2-CD1 3.31Å; L590-I1390 HydrophobicContact CD2-CG1 4.27Å; L590-I1390 HydrophobicContact CG-CD1 4.01Å; L1388-I1390 PolarHBondContact O-N 3.07Å; I1390-R1392 PolarHBondContact O-N 3.19Å |
| 1391 | G | 68 | Low | 77.9 | Confident | 34 Ų | 34 | 62 Ų | 62 | 35% | 0.351 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -8.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1389 F1394 | P1389-G1391 PolarHBondContact O-N 3.16Å; G1391-F1394 WeakPolarHBondContact O-CE2 3.4Å; G1391-F1394 WeakPolarHBondContact O-CZ 3.39Å |
| 1392 | R | 79.7 | Confident | 77.9 | Confident | 78 Ų | 78 | 62 Ų | 62 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -11.9 | 173.7 | -63.6 | -170.6 | 173.8 | -176.8 | -3.6 | 113.7 | M1360 N1361 V1369 Y1370 A1371 P1389 I1390 | M1360-R1392 HydrophobicContact CE-CB 3.57Å; N1361-R1392 PolarHBondContact OD1-NH1 3Å; V1369-R1392 WeakPolarHBondContact O-CD 3.2Å; Y1370-R1392 CarbonylContact C-O 3.55Å; Y1370-R1392 WeakPolarHBondContact CA-O 3.49Å; Y1370-R1392 HydrophobicContact CD1-CB 4.32Å; Y1370-R1392 HydrophobicContact CD1-CG 4.34Å; Y1370-R1392 HydrophobicContact CE1-CG 4.29Å; A1371-R1392 PolarHBondContact N-O 3.02Å; P1389-R1392 HydrophobicContact CB-CB 4.36Å; P1389-R1392 PolarHBondContact O-N 2.95Å; I1390-R1392 PolarHBondContact O-N 3.19Å |
| 1393 | S | 83.9 | Confident | 77.6 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.5 | 178.9 | 60.6 | 0 | 0 | 0 | 0 | 112.9 | A1371 R1385 | A1371-S1393 CarbonylContact O-C 3.57Å; A1371-S1393 VanDerWaalsContact O-CA 3.32Å; A1371-S1393 WeakPolarHBondContact O-CA 3.44Å; R1385-S1393 PolarHBondContact NE-O 3.32Å; R1385-S1393 PolarHBondContact O-OG 3.04Å |
| 1394 | F | 83.9 | Confident | 77.3 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 6% | 0.057 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.5 | -177.1 | -55.9 | -87.3 | 0 | 0 | 0 | 110.7 | Y1370 A1371 I1372 F1373 G1391 I1405 Q1408 I1409 | Y1370-F1394 HydrophobicContact CD1-CE2 4.12Å; A1371-F1394 PolarHBondContact O-N 3.35Å; I1372-F1394 WeakPolarHBondContact CA-O 3.45Å; I1372-F1394 HydrophobicContact CG1-CB 4.33Å; I1372-F1394 HydrophobicContact CG1-CD2 4.35Å; F1373-F1394 WeakPolarHBondContact CD2-O 3.32Å; F1373-F1394 PolarHBondContact N-O 3.42Å; G1391-F1394 WeakPolarHBondContact O-CE2 3.4Å; G1391-F1394 WeakPolarHBondContact O-CZ 3.39Å; F1394-I1405 HydrophobicContact CB-CD1 4.03Å; F1394-I1405 HydrophobicContact CB-CG1 4.31Å; F1394-I1405 HydrophobicContact CB-CG2 3.84Å; F1394-I1405 HydrophobicContact CD1-CG1 4.19Å; F1394-I1405 HydrophobicContact CD1-CG2 3.86Å; F1394-I1405 HydrophobicContact CD2-CG2 3.6Å; F1394-I1405 HydrophobicContact CE1-CG2 4.31Å; F1394-I1405 HydrophobicContact CE2-CG2 4.07Å; F1394-I1405 HydrophobicContact CG-CG1 4.35Å; F1394-I1405 HydrophobicContact CG-CG2 3.48Å; F1394-I1405 VanDerWaalsContact CG-CG2 3.48Å; F1394-I1405 HydrophobicContact CZ-CG2 4.4Å; F1394-Q1408 VanDerWaalsContact CE1-OE1 3.32Å; F1394-I1409 HydrophobicContact CD2-CD1 4.36Å; F1394-I1409 HydrophobicContact CE2-CD1 4.05Å; F1394-I1409 HydrophobicContact CE2-CG1 3.82Å; F1394-I1409 HydrophobicContact CZ-CG1 4.34Å |
| 1395 | V | 84.8 | Confident | 77.2 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 14% | 0.139 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.4 | 172.4 | 177.1 | 0 | 0 | 0 | 0 | 106 | F1373 A1381 R1385 R1397 | F1373-V1395 HydrophobicContact CB-CG2 4.36Å; F1373-V1395 HydrophobicContact CD2-CG2 4.2Å; A1381-V1395 HydrophobicContact CB-CG1 4.29Å; A1381-V1395 HydrophobicContact CB-CG2 3.99Å; R1385-V1395 HydrophobicContact CB-CG2 4.22Å; V1395-R1397 HydrophobicContact CG1-CG 4.25Å |
| 1396 | C | 82.8 | Confident | 77.1 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | trans | -112.8 | 102.6 | -178.1 | -169.5 | 0 | 0 | 0 | 0 | 108.2 | I1372 F1373 M1374 E1398 I1405 | I1372-C1396 HydrophobicContact CG2-CB 3.72Å; F1373-C1396 PolarHBondContact O-N 2.72Å; M1374-C1396 HydrophobicContact SD-CB 3.83Å; C1396-E1398 PolarHBondContact SG-O 3.42Å; C1396-I1405 HydrophobicContact CB-CD1 4.08Å | ||
| 1397 | R | 78.5 | Confident | 76.7 | Confident | 172 Ų | 172 | 50 Ų | 50 | 65% | 0.649 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -86.9 | -33 | -179.3 | -70.1 | -174.8 | 174 | -174 | -3.1 | 112 | R1249 V1395 E1401 | R1249-R1397 VanDerWaalsContact CD-O 3.31Å; R1249-R1397 WeakPolarHBondContact CD-O 3.19Å; R1249-R1397 PolarHBondContact NE-O 3.44Å; R1249-R1397 PolarHBondContact NH1-O 3Å; R1249-R1397 VanDerWaalsContact NH1-O 3.16Å; V1395-R1397 HydrophobicContact CG1-CG 4.25Å; R1397-E1401 PolarHBondContact N-OE2 3.14Å |
| 1398 | E | 78.8 | Confident | 76.1 | Confident | 120 Ų | 120 | 47.2 Ų | 47.2 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -125.2 | 143.3 | 177.6 | -62.5 | -177.7 | -174.4 | 0 | 0 | 109 | C1396 T1400 E1401 | C1396-E1398 PolarHBondContact SG-O 3.42Å; E1398-T1400 WeakPolarHBondContact CB-OG1 3.37Å; E1398-T1400 PolarHBondContact O-N 3.09Å; E1398-T1400 VanDerWaalsContact O-N 3.17Å; E1398-T1400 PolarHBondContact OE2-OG1 3.05Å; E1398-E1401 PolarHBondContact O-N 2.89Å; E1398-E1401 VanDerWaalsContact O-N 3.11Å |
| 1399 | T | 74.8 | Confident | 75.8 | Confident | 17 Ų | 17 | 47 Ų | 47 | 10% | 0.104 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -64.5 | -17.6 | 178.1 | 32.3 | 0 | 0 | 0 | 0 | 112.9 | R1249 E1252 E1401 L1402 | R1249-T1399 HydrophobicContact CB-CG2 3.85Å; R1249-T1399 HydrophobicContact CG-CG2 3.9Å; E1252-T1399 HydrophobicContact CB-CG2 3.78Å; E1252-T1399 WeakPolarHBondContact OE2-CB 3.39Å; E1252-T1399 VanDerWaalsContact OE2-CG2 3.28Å; E1252-T1399 WeakPolarHBondContact OE2-CG2 3.21Å; E1252-T1399 PolarHBondContact OE2-OG1 3.48Å; T1399-E1401 VanDerWaalsContact C-N 3.26Å; T1399-E1401 PolarHBondContact O-N 3.25Å; T1399-L1402 PolarHBondContact O-N 2.87Å |
| 1400 | T | 72.9 | Confident | 75.7 | Confident | 68 Ų | 68 | 46 Ų | 46 | 42% | 0.417 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -62.9 | -26.6 | 172.3 | 54 | 0 | 0 | 0 | 0 | 113.6 | H1161 E1398 P1403 | H1161-T1400 WeakPolarHBondContact NE2-CG2 3.47Å; E1398-T1400 WeakPolarHBondContact CB-OG1 3.37Å; E1398-T1400 PolarHBondContact O-N 3.09Å; E1398-T1400 VanDerWaalsContact O-N 3.17Å; E1398-T1400 PolarHBondContact OE2-OG1 3.05Å; T1400-P1403 WeakPolarHBondContact O-CD 3.32Å |
| 1401 | E | 77.5 | Confident | 75.3 | Confident | 77 Ų | 77 | 42.7 Ų | 42.7 | 36% | 0.36 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -80.6 | -23.3 | -180 | -61.5 | 178.3 | 151.4 | 0 | 0 | 112.2 | R1397 E1398 T1399 E1404 I1405 | R1397-E1401 PolarHBondContact N-OE2 3.14Å; E1398-E1401 PolarHBondContact O-N 2.89Å; E1398-E1401 VanDerWaalsContact O-N 3.11Å; T1399-E1401 VanDerWaalsContact C-N 3.26Å; T1399-E1401 PolarHBondContact O-N 3.25Å; E1401-E1404 PolarHBondContact O-N 3.28Å; E1401-I1405 HydrophobicContact CB-CD1 4.39Å; E1401-I1405 WeakPolarHBondContact O-CG1 3.3Å; E1401-I1405 PolarHBondContact O-N 3.25Å |
| 1402 | L | 80 | Confident | 74.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | -171 | -173.5 | 64.7 | 0 | 0 | 0 | 114.5 | S1253 M1256 F1341 I1372 T1399 E1404 I1405 V1406 | S1253-L1402 WeakPolarHBondContact OG-CD2 3.42Å; M1256-L1402 HydrophobicContact CE-CB 3.85Å; M1256-L1402 HydrophobicContact CE-CD2 3.3Å; M1256-L1402 HydrophobicContact CE-CG 3.51Å; F1341-L1402 HydrophobicContact CZ-CD2 4.34Å; I1372-L1402 HydrophobicContact CD1-CD1 3.71Å; I1372-L1402 HydrophobicContact CG2-CD1 4.39Å; T1399-L1402 PolarHBondContact O-N 2.87Å; L1402-E1404 PolarHBondContact O-N 2.93Å; L1402-I1405 PolarHBondContact O-N 3.35Å; L1402-I1405 VanDerWaalsContact O-N 3.12Å; L1402-V1406 HydrophobicContact CD1-CG2 3.96Å; L1402-V1406 HydrophobicContact CG-CG2 3.98Å; L1402-V1406 WeakPolarHBondContact O-CG2 3.26Å; L1402-V1406 PolarHBondContact O-N 3.13Å |
| 1403 | P | 75.6 | Confident | 73 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.019 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.6 | -36.2 | 177.5 | -24.8 | 34.5 | 0 | 0 | 0 | 113.2 | H1161 Y1164 L1165 M1256 T1400 R1407 | H1161-P1403 HydrophobicContact CB-CG 3.53Å; Y1164-P1403 HydrophobicContact CD1-CB 3.58Å; Y1164-P1403 HydrophobicContact CE1-CB 3.9Å; L1165-P1403 HydrophobicContact CD1-CB 4.04Å; L1165-P1403 HydrophobicContact CD1-CG 4.3Å; L1165-P1403 HydrophobicContact CG-CB 4.03Å; M1256-P1403 HydrophobicContact CE-CG 4.21Å; M1256-P1403 HydrophobicContact SD-CG 3.7Å; T1400-P1403 WeakPolarHBondContact O-CD 3.32Å; P1403-R1407 VanDerWaalsContact O-CB 3.24Å; P1403-R1407 WeakPolarHBondContact O-CB 3.37Å; P1403-R1407 PolarHBondContact O-N 3Å |
| 1404 | E | 72.2 | Confident | 70.7 | Confident | 90 Ų | 90 | 46.7 Ų | 46.7 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.8 | -41.5 | 177.1 | -163.6 | -174.7 | 169 | 0 | 0 | 111.1 | E1401 L1402 R1407 Q1408 | E1401-E1404 PolarHBondContact O-N 3.28Å; L1402-E1404 PolarHBondContact O-N 2.93Å; E1404-R1407 WeakPolarHBondContact O-CB 3.37Å; E1404-R1407 PolarHBondContact O-N 2.84Å; E1404-R1407 IonicContact OE1-NH2 3.81Å; E1404-R1407 PolarHBondContact OE1-NH2 2.88Å; E1404-Q1408 VanDerWaalsContact O-CG 3.29Å; E1404-Q1408 WeakPolarHBondContact O-CG 3.35Å; E1404-Q1408 PolarHBondContact O-N 2.84Å; E1404-Q1408 PolarHBondContact OE1-NE2 3.37Å |
| 1405 | I | 78.5 | Confident | 68 | Low | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 175.7 | -63.1 | 166.2 | 0 | 0 | 0 | 110.3 | I1372 F1394 C1396 E1401 L1402 R1407 Q1408 I1409 | I1372-I1405 HydrophobicContact CD1-CB 4.48Å; I1372-I1405 HydrophobicContact CD1-CG2 3.48Å; I1372-I1405 VanDerWaalsContact CD1-CG2 3.48Å; I1372-I1405 HydrophobicContact CG1-CG2 4.1Å; F1394-I1405 HydrophobicContact CB-CD1 4.03Å; F1394-I1405 HydrophobicContact CB-CG1 4.31Å; F1394-I1405 HydrophobicContact CB-CG2 3.84Å; F1394-I1405 HydrophobicContact CD1-CG1 4.19Å; F1394-I1405 HydrophobicContact CD1-CG2 3.86Å; F1394-I1405 HydrophobicContact CD2-CG2 3.6Å; F1394-I1405 HydrophobicContact CE1-CG2 4.31Å; F1394-I1405 HydrophobicContact CE2-CG2 4.07Å; F1394-I1405 HydrophobicContact CG-CG1 4.35Å; F1394-I1405 HydrophobicContact CG-CG2 3.48Å; F1394-I1405 VanDerWaalsContact CG-CG2 3.48Å; F1394-I1405 HydrophobicContact CZ-CG2 4.4Å; C1396-I1405 HydrophobicContact CB-CD1 4.08Å; E1401-I1405 HydrophobicContact CB-CD1 4.39Å; E1401-I1405 WeakPolarHBondContact O-CG1 3.3Å; E1401-I1405 PolarHBondContact O-N 3.25Å; L1402-I1405 PolarHBondContact O-N 3.35Å; L1402-I1405 VanDerWaalsContact O-N 3.12Å; I1405-R1407 VanDerWaalsContact C-N 3.34Å; I1405-R1407 PolarHBondContact O-N 3.09Å; I1405-Q1408 WeakPolarHBondContact O-CB 3.42Å; I1405-Q1408 PolarHBondContact O-N 3.01Å; I1405-Q1408 VanDerWaalsContact O-N 3.15Å; I1405-I1409 HydrophobicContact CG2-CD1 3.92Å; I1405-I1409 HydrophobicContact CG2-CG1 4.48Å; I1405-I1409 WeakPolarHBondContact O-CG1 3.49Å; I1405-I1409 PolarHBondContact O-N 3.14Å |
| 1406 | V | 76.7 | Confident | 67.2 | Low | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 178.6 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | L1165 L1257 L1402 Q1408 I1409 L1410 | L1165-V1406 HydrophobicContact CD2-CB 4.05Å; L1165-V1406 HydrophobicContact CD2-CG1 3.66Å; L1257-V1406 HydrophobicContact CD2-CG1 4.17Å; L1257-V1406 HydrophobicContact CD2-CG2 4.12Å; L1402-V1406 HydrophobicContact CD1-CG2 3.96Å; L1402-V1406 HydrophobicContact CG-CG2 3.98Å; L1402-V1406 WeakPolarHBondContact O-CG2 3.26Å; L1402-V1406 PolarHBondContact O-N 3.13Å; V1406-Q1408 PolarHBondContact O-N 2.9Å; V1406-I1409 PolarHBondContact O-N 2.83Å; V1406-L1410 HydrophobicContact CG1-CD1 3.79Å; V1406-L1410 HydrophobicContact CG1-CG 4.24Å; V1406-L1410 WeakPolarHBondContact O-CB 3.47Å; V1406-L1410 VanDerWaalsContact O-CG 3.32Å; V1406-L1410 WeakPolarHBondContact O-CG 3.45Å; V1406-L1410 PolarHBondContact O-N 3.01Å |
| 1407 | R | 68.4 | Low | 66.3 | Low | 64 Ų | 64 | 57.9 Ų | 57.9 | 24% | 0.242 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.2 | -51.1 | 171 | 177.1 | -174.4 | 71.8 | 169.2 | 6.1 | 110.7 | Y1164 V1168 P1403 E1404 I1405 I1409 L1410 T1411 | Y1164-R1407 PolarHBondContact OH-NH1 2.67Å; V1168-R1407 HydrophobicContact CG1-CB 4.23Å; V1168-R1407 HydrophobicContact CG1-CG 3.87Å; V1168-R1407 HydrophobicContact CG2-CG 4.37Å; P1403-R1407 VanDerWaalsContact O-CB 3.24Å; P1403-R1407 WeakPolarHBondContact O-CB 3.37Å; P1403-R1407 PolarHBondContact O-N 3Å; E1404-R1407 WeakPolarHBondContact O-CB 3.37Å; E1404-R1407 PolarHBondContact O-N 2.84Å; E1404-R1407 IonicContact OE1-NH2 3.81Å; E1404-R1407 PolarHBondContact OE1-NH2 2.88Å; I1405-R1407 VanDerWaalsContact C-N 3.34Å; I1405-R1407 PolarHBondContact O-N 3.09Å; R1407-I1409 VanDerWaalsContact C-N 3.3Å; R1407-I1409 PolarHBondContact O-N 2.93Å; R1407-L1410 PolarHBondContact O-N 2.9Å; R1407-T1411 HydrophobicContact CG-CG2 4.31Å; R1407-T1411 WeakPolarHBondContact O-CB 3.41Å; R1407-T1411 WeakPolarHBondContact O-CG2 3.38Å; R1407-T1411 PolarHBondContact O-N 2.6Å; R1407-T1411 PolarHBondContact O-OG1 3.3Å |
| 1408 | Q | 66.9 | Low | 65.7 | Low | 65 Ų | 65 | 51.6 Ų | 51.6 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.2 | -40.8 | 179.6 | -73.7 | 174.2 | 17.6 | 0 | 0 | 112 | F1394 E1404 I1405 V1406 T1411 S1412 | F1394-Q1408 VanDerWaalsContact CE1-OE1 3.32Å; E1404-Q1408 VanDerWaalsContact O-CG 3.29Å; E1404-Q1408 WeakPolarHBondContact O-CG 3.35Å; E1404-Q1408 PolarHBondContact O-N 2.84Å; E1404-Q1408 PolarHBondContact OE1-NE2 3.37Å; I1405-Q1408 WeakPolarHBondContact O-CB 3.42Å; I1405-Q1408 PolarHBondContact O-N 3.01Å; I1405-Q1408 VanDerWaalsContact O-N 3.15Å; V1406-Q1408 PolarHBondContact O-N 2.9Å; Q1408-T1411 PolarHBondContact O-OG1 2.98Å; Q1408-S1412 WeakPolarHBondContact O-CB 3.27Å; Q1408-S1412 PolarHBondContact O-N 3.48Å; Q1408-S1412 PolarHBondContact O-OG 2.78Å |
| 1409 | I | 72.5 | Confident | 64.9 | Low | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -51.3 | 176.9 | -68.1 | 169.7 | 0 | 0 | 0 | 110.1 | I1339 Y1370 I1372 F1394 I1405 V1406 R1407 T1411 S1412 | I1339-I1409 HydrophobicContact CD1-CD1 3.98Å; I1339-I1409 HydrophobicContact CD1-CG2 4.06Å; I1339-I1409 HydrophobicContact CG1-CD1 4.3Å; I1339-I1409 HydrophobicContact CG1-CG2 4.37Å; Y1370-I1409 HydrophobicContact CD1-CB 4.45Å; Y1370-I1409 HydrophobicContact CD1-CD1 4.26Å; Y1370-I1409 HydrophobicContact CD1-CG1 3.71Å; Y1370-I1409 HydrophobicContact CD1-CG2 4.21Å; Y1370-I1409 HydrophobicContact CD2-CG2 3.7Å; Y1370-I1409 HydrophobicContact CE1-CB 4.48Å; Y1370-I1409 HydrophobicContact CE1-CG1 4.12Å; Y1370-I1409 HydrophobicContact CE1-CG2 4.23Å; Y1370-I1409 HydrophobicContact CE2-CG2 3.73Å; Y1370-I1409 HydrophobicContact CG-CD1 4.1Å; Y1370-I1409 HydrophobicContact CG-CG1 3.95Å; Y1370-I1409 HydrophobicContact CG-CG2 3.96Å; I1372-I1409 HydrophobicContact CD1-CD1 3.99Å; F1394-I1409 HydrophobicContact CD2-CD1 4.36Å; F1394-I1409 HydrophobicContact CE2-CD1 4.05Å; F1394-I1409 HydrophobicContact CE2-CG1 3.82Å; F1394-I1409 HydrophobicContact CZ-CG1 4.34Å; I1405-I1409 HydrophobicContact CG2-CD1 3.92Å; I1405-I1409 HydrophobicContact CG2-CG1 4.48Å; I1405-I1409 WeakPolarHBondContact O-CG1 3.49Å; I1405-I1409 PolarHBondContact O-N 3.14Å; V1406-I1409 PolarHBondContact O-N 2.83Å; R1407-I1409 VanDerWaalsContact C-N 3.3Å; R1407-I1409 PolarHBondContact O-N 2.93Å; I1409-T1411 VanDerWaalsContact C-N 3.34Å; I1409-T1411 PolarHBondContact O-N 2.92Å; I1409-S1412 PolarHBondContact O-N 2.74Å; I1409-S1412 PolarHBondContact O-OG 3.14Å |
| 1410 | L | 66.4 | Low | 64.3 | Low | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.7 | -26.6 | -176.1 | -65.8 | 175.4 | 0 | 0 | 0 | 113.8 | M1169 I1268 L1337 V1406 R1407 | M1169-L1410 HydrophobicContact SD-CD1 3.73Å; I1268-L1410 HydrophobicContact CD1-CD2 4.49Å; L1337-L1410 HydrophobicContact CD1-CD2 4.13Å; V1406-L1410 HydrophobicContact CG1-CD1 3.79Å; V1406-L1410 HydrophobicContact CG1-CG 4.24Å; V1406-L1410 WeakPolarHBondContact O-CB 3.47Å; V1406-L1410 VanDerWaalsContact O-CG 3.32Å; V1406-L1410 WeakPolarHBondContact O-CG 3.45Å; V1406-L1410 PolarHBondContact O-N 3.01Å; R1407-L1410 PolarHBondContact O-N 2.9Å |
| 1411 | T | 58.9 | Low | 63.7 | Low | 39 Ų | 39 | 48.3 Ų | 48.3 | 24% | 0.239 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -90.5 | -19.4 | 177.1 | 59 | 0 | 0 | 0 | 0 | 113.5 | L1172 R1407 Q1408 I1409 N1413 I1414 | L1172-T1411 HydrophobicContact CD2-CG2 4.31Å; R1407-T1411 HydrophobicContact CG-CG2 4.31Å; R1407-T1411 WeakPolarHBondContact O-CB 3.41Å; R1407-T1411 WeakPolarHBondContact O-CG2 3.38Å; R1407-T1411 PolarHBondContact O-N 2.6Å; R1407-T1411 PolarHBondContact O-OG1 3.3Å; Q1408-T1411 PolarHBondContact O-OG1 2.98Å; I1409-T1411 VanDerWaalsContact C-N 3.34Å; I1409-T1411 PolarHBondContact O-N 2.92Å; T1411-N1413 PolarHBondContact O-N 3Å; T1411-N1413 VanDerWaalsContact O-N 3.09Å; T1411-I1414 PolarHBondContact O-N 2.61Å |
| 1412 | S | 55.1 | Low | 62.7 | Low | 52 Ų | 52 | 46.2 Ų | 46.2 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -19.8 | -172.2 | 60.7 | 0 | 0 | 0 | 0 | 115.5 | Y1370 Q1408 I1409 | Y1370-S1412 PolarHBondContact OH-OG 3.23Å; Q1408-S1412 WeakPolarHBondContact O-CB 3.27Å; Q1408-S1412 PolarHBondContact O-N 3.48Å; Q1408-S1412 PolarHBondContact O-OG 2.78Å; I1409-S1412 PolarHBondContact O-N 2.74Å; I1409-S1412 PolarHBondContact O-OG 3.14Å |
| 1413 | N | 44.1 | Very low | 61.4 | Low | 77 Ų | 77 | 49.8 Ų | 49.8 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 1.1 | 176 | -70.4 | -21.1 | 0 | 0 | 0 | 113.3 | E1335 T1411 | E1335-N1413 WeakPolarHBondContact OE1-CB 3.4Å; E1335-N1413 PolarHBondContact OE1-ND2 3.22Å; T1411-N1413 PolarHBondContact O-N 3Å; T1411-N1413 VanDerWaalsContact O-N 3.09Å |
| 1414 | I | 35.3 | Very low | 60.2 | Low | 71 Ų | 71 | 53.7 Ų | 53.7 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -27.4 | -177.2 | -60 | 177.3 | 0 | 0 | 0 | 112.1 | L1172 T1411 | L1172-I1414 HydrophobicContact CD2-CD1 3.57Å; T1411-I1414 PolarHBondContact O-N 2.61Å |
| 1415 | D | 27.3 | Very low | 59.1 | Low | 158 Ų | 158 | 50.4 Ų | 50.4 | 85% | 0.845 | 27% | 0.265 | S | S | * | . | trans | -100.6 | 0 | 174.5 | -66.6 | -24.3 | 0 | 0 | 0 | 110.3 | R1175 | R1175-D1415 IonicContact NH1-OD1 3.95Å; R1175-D1415 PolarHBondContact NH1-OD1 3.3Å |
Retrieved 1,415 of 1,415 residues in 763.7 ms
(Link to these results)