| 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 | 80.5 | Confident | 88.2 | Confident | 158 Ų | 158 | 83.1 Ų | 83.1 | 78% | 0.778 | 40% | 0.403 | S | S | * | . | 0 | 122.5 | 0 | -70.9 | -86.3 | -118.4 | 0 | 0 | 107.4 | E42 L43 | M1-E42 HydrophobicContact CB-CB 4.47Å; M1-E42 HydrophobicContact CE-CB 4.11Å; M1-E42 VanDerWaalsContact CE-OE2 3.3Å; M1-E42 WeakPolarHBondContact CE-OE2 3.43Å; M1-E42 HydrophobicContact SD-CB 4.07Å; M1-L43 CarbonylContact C-O 3.56Å; M1-L43 VanDerWaalsContact CA-O 3.31Å; M1-L43 WeakPolarHBondContact CA-O 3.3Å | |||
| 2 | L | 86.2 | Confident | 87.1 | Confident | 20 Ų | 20 | 79 Ų | 79 | 11% | 0.105 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 135.9 | 177.5 | -70.5 | 160.6 | 0 | 0 | 0 | 108 | N21 E42 L43 E45 L48 | L2-N21 HydrophobicContact CD2-CB 3.52Å; L2-E42 CarbonylContact O-C 3.58Å; L2-E42 WeakPolarHBondContact O-CA 3.34Å; L2-L43 PolarHBondContact N-O 2.91Å; L2-L43 PolarHBondContact O-N 3Å; L2-E45 HydrophobicContact CD1-CG 4.19Å; L2-L48 HydrophobicContact CD1-CD2 3.36Å |
| 3 | T | 89.4 | Confident | 86.5 | Confident | 43 Ų | 43 | 76.5 Ų | 76.5 | 26% | 0.264 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 137.1 | -177.1 | -35.9 | 0 | 0 | 0 | 0 | 110.2 | V5 F19 S20 Q41 E42 | T3-V5 PolarHBondContact O-N 2.99Å; T3-F19 CarbonylContact O-C 3.5Å; T3-F19 WeakPolarHBondContact O-CA 3.34Å; T3-S20 PolarHBondContact N-OG 2.84Å; T3-S20 PolarHBondContact O-N 3.17Å; T3-Q41 CarbonylContact C-O 3.5Å; T3-Q41 VanDerWaalsContact CA-O 3.32Å; T3-Q41 WeakPolarHBondContact CA-O 3.42Å; T3-E42 HydrophobicContact CG2-CG 4.41Å |
| 4 | V | 92 | Very high | 86.6 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 110.4 | 171.2 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | I7 V17 F19 L37 L38 G40 Q41 L43 | V4-I7 HydrophobicContact CG1-CD1 3.96Å; V4-I7 HydrophobicContact CG1-CG1 3.67Å; V4-V17 HydrophobicContact CG1-CG1 3.78Å; V4-V17 HydrophobicContact CG2-CG1 4.43Å; V4-F19 HydrophobicContact CG2-CD1 4.16Å; V4-F19 HydrophobicContact CG2-CE1 3.86Å; V4-L37 HydrophobicContact CG2-CD2 4.14Å; V4-L38 WeakPolarHBondContact CB-O 3.42Å; V4-G40 PolarHBondContact O-N 3.14Å; V4-Q41 HydrophobicContact CG2-CB 4.41Å; V4-Q41 PolarHBondContact N-O 3.12Å; V4-L43 HydrophobicContact CG2-CD1 3.82Å |
| 5 | V | 92.9 | Very high | 86.9 | Confident | 72 Ų | 72 | 72 Ų | 72 | 44% | 0.436 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -40.6 | -176.2 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | T3 E18 K39 | T3-V5 PolarHBondContact O-N 2.99Å; V5-E18 PolarHBondContact N-O 3.03Å; V5-K39 WeakPolarHBondContact O-CE 3.06Å |
| 6 | K | 93.2 | Very high | 87.2 | Confident | 111 Ų | 111 | 73.7 Ų | 73.7 | 48% | 0.483 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 139.3 | -174.2 | -170 | 177 | 179.9 | 178.1 | 0 | 111.2 | V17 E18 | K6-V17 WeakPolarHBondContact O-CA 3.31Å; K6-E18 HydrophobicContact CB-CB 4.15Å; K6-E18 PolarHBondContact N-O 2.96Å; K6-E18 PolarHBondContact O-N 2.77Å |
| 7 | I | 93 | Very high | 87.5 | Confident | 51 Ų | 51 | 69.4 Ų | 69.4 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.6 | 167.3 | -56.1 | -179.9 | 0 | 0 | 0 | 106.9 | V4 Y15 K16 V17 L37 | V4-I7 HydrophobicContact CG1-CD1 3.96Å; V4-I7 HydrophobicContact CG1-CG1 3.67Å; I7-Y15 HydrophobicContact CG2-CD1 3.93Å; I7-Y15 HydrophobicContact CG2-CG 4.47Å; I7-K16 WeakPolarHBondContact CA-O 3.47Å; I7-V17 HydrophobicContact CG1-CG1 4.26Å; I7-V17 HydrophobicContact CG1-CG2 4.26Å; I7-V17 HydrophobicContact CG2-CG2 4.37Å; I7-L37 HydrophobicContact CD1-CB 4.22Å; I7-L37 WeakPolarHBondContact CD1-O 3.41Å |
| 8 | S | 93 | Very high | 87.8 | Confident | 43 Ų | 43 | 68.8 Ų | 68.8 | 30% | 0.301 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 143.5 | 178 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | G10 Y15 K16 | S8-G10 PolarHBondContact O-N 2.99Å; S8-Y15 CarbonylContact O-C 3.57Å; S8-Y15 WeakPolarHBondContact O-CA 3.33Å; S8-K16 PolarHBondContact N-O 2.88Å; S8-K16 PolarHBondContact O-N 3.26Å |
| 9 | Q | 89.8 | Confident | 88 | Confident | 147 Ų | 147 | 65.3 Ų | 65.3 | 69% | 0.687 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 130.4 | 176.8 | -165 | 173.8 | 18.4 | 0 | 0 | 110.4 | Y15 | Q9-Y15 HydrophobicContact CB-CD1 4.34Å; Q9-Y15 HydrophobicContact CB-CE1 4.08Å; Q9-Y15 HydrophobicContact CG-CE1 4.33Å |
| 10 | G | 83.4 | Confident | 88.1 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | trans | -77.8 | 175 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S8 G12 Y14 | S8-G10 PolarHBondContact O-N 2.99Å; G10-G12 PolarHBondContact O-N 3.22Å; G10-Y14 WeakPolarHBondContact CA-O 2.85Å; G10-Y14 PolarHBondContact N-O 2.86Å | ||
| 11 | R | 76.5 | Confident | 88.1 | Confident | 253 Ų | 253 | 66 Ų | 66 | 96% | 0.955 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -81.2 | 60.7 | 167.7 | -69.3 | -172.9 | -177.5 | 172.6 | 0.6 | 109.9 | ||
| 12 | G | 75 | Confident | 88.5 | Confident | 34 Ų | 34 | 60.7 Ų | 60.7 | 35% | 0.351 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 168.1 | -175.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G10 Y14 | G10-G12 PolarHBondContact O-N 3.22Å; G12-Y14 PolarHBondContact O-N 3.35Å |
| 13 | P | 79.9 | Confident | 88.6 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 31% | 0.305 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -78.1 | 46.9 | 179.7 | 36.5 | -37.9 | 0 | 0 | 0 | 111.1 | Q62 L63 | P13-Q62 PolarHBondContact O-OE1 2.77Å; P13-L63 HydrophobicContact CG-CD2 3.75Å; P13-L63 HydrophobicContact CG-CG 4.46Å |
| 14 | Y | 88 | Confident | 88.6 | Confident | 33 Ų | 33 | 68 Ų | 68 | 13% | 0.129 | 35% | 0.349 | C | S | . | . | trans | -147.1 | 153.5 | -177.4 | 74.9 | -93.9 | 0 | 0 | 0 | 112.1 | G10 G12 K16 R26 L27 L59 | G10-Y14 WeakPolarHBondContact CA-O 2.85Å; G10-Y14 PolarHBondContact N-O 2.86Å; G12-Y14 PolarHBondContact O-N 3.35Å; Y14-K16 HydrophobicContact CD2-CG 4.21Å; Y14-K16 HydrophobicContact CE2-CD 4.31Å; Y14-K16 HydrophobicContact CE2-CG 3.63Å; Y14-K16 WeakPolarHBondContact OH-CE 3.37Å; Y14-R26 HydrophobicContact CD2-CB 3.76Å; Y14-R26 HydrophobicContact CD2-CG 3.82Å; Y14-R26 HydrophobicContact CE2-CB 4.15Å; Y14-R26 HydrophobicContact CE2-CG 3.67Å; Y14-R26 HydrophobicContact CG-CB 4.38Å; Y14-L27 CarbonylContact C-O 3.48Å; Y14-L27 WeakPolarHBondContact CA-O 3.38Å; Y14-L59 VanDerWaalsContact CB-CD1 3.47Å; Y14-L59 HydrophobicContact CG-CD1 4.37Å | ||
| 15 | Y | 90.5 | Very high | 88.4 | Confident | 52 Ų | 52 | 69.4 Ų | 69.4 | 20% | 0.204 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141.3 | 170.5 | -71.9 | -94.7 | 0 | 0 | 0 | 109.9 | I7 S8 Q9 R26 L27 E29 V32 | I7-Y15 HydrophobicContact CG2-CD1 3.93Å; I7-Y15 HydrophobicContact CG2-CG 4.47Å; S8-Y15 CarbonylContact O-C 3.57Å; S8-Y15 WeakPolarHBondContact O-CA 3.33Å; Q9-Y15 HydrophobicContact CB-CD1 4.34Å; Q9-Y15 HydrophobicContact CB-CE1 4.08Å; Q9-Y15 HydrophobicContact CG-CE1 4.33Å; Y15-R26 WeakPolarHBondContact O-CA 3.32Å; Y15-L27 PolarHBondContact N-O 3.27Å; Y15-L27 PolarHBondContact O-N 3.22Å; Y15-E29 HydrophobicContact CD2-CB 4.28Å; Y15-E29 HydrophobicContact CE2-CB 3.84Å; Y15-E29 HydrophobicContact CE2-CG 3.88Å; Y15-V32 HydrophobicContact CG-CG2 4.46Å |
| 16 | K | 92 | Very high | 88.2 | Confident | 99 Ų | 99 | 71 Ų | 71 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 116.9 | 168.1 | -66.7 | -178.2 | -179.9 | 179.4 | 0 | 108.4 | I7 S8 Y14 L25 | I7-K16 WeakPolarHBondContact CA-O 3.47Å; S8-K16 PolarHBondContact N-O 2.88Å; S8-K16 PolarHBondContact O-N 3.26Å; Y14-K16 HydrophobicContact CD2-CG 4.21Å; Y14-K16 HydrophobicContact CE2-CD 4.31Å; Y14-K16 HydrophobicContact CE2-CG 3.63Å; Y14-K16 WeakPolarHBondContact OH-CE 3.37Å; K16-L25 WeakPolarHBondContact CA-O 3.4Å |
| 17 | V | 91.6 | Very high | 88 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.3 | 176.2 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | V4 K6 I7 F19 K24 L25 L27 V32 | V4-V17 HydrophobicContact CG1-CG1 3.78Å; V4-V17 HydrophobicContact CG2-CG1 4.43Å; K6-V17 WeakPolarHBondContact O-CA 3.31Å; I7-V17 HydrophobicContact CG1-CG1 4.26Å; I7-V17 HydrophobicContact CG1-CG2 4.26Å; I7-V17 HydrophobicContact CG2-CG2 4.37Å; V17-F19 HydrophobicContact CB-CE2 4.22Å; V17-F19 HydrophobicContact CB-CZ 4.31Å; V17-F19 HydrophobicContact CG1-CE1 4.1Å; V17-F19 HydrophobicContact CG1-CE2 3.81Å; V17-F19 HydrophobicContact CG1-CZ 3.57Å; V17-K24 WeakPolarHBondContact O-CA 3.44Å; V17-L25 PolarHBondContact N-O 2.94Å; V17-L25 PolarHBondContact O-N 2.96Å; V17-L27 HydrophobicContact CB-CD1 4.31Å; V17-L27 HydrophobicContact CG2-CD1 3.88Å; V17-L27 HydrophobicContact CG2-CG 4.42Å; V17-V32 HydrophobicContact CG2-CG2 4.26Å |
| 18 | E | 93.3 | Very high | 87.8 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 27% | 0.271 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.7 | -179.3 | -174 | 167.1 | -155.8 | 0 | 0 | 109.7 | V5 K6 E23 K24 | V5-E18 PolarHBondContact N-O 3.03Å; K6-E18 HydrophobicContact CB-CB 4.15Å; K6-E18 PolarHBondContact N-O 2.96Å; K6-E18 PolarHBondContact O-N 2.77Å; E18-E23 WeakPolarHBondContact CA-O 3.44Å; E18-K24 HydrophobicContact CB-CG 4.33Å; E18-K24 HydrophobicContact CG-CG 4.1Å; E18-K24 WeakPolarHBondContact OE1-CE 3.49Å; E18-K24 IonicContact OE1-NZ 3.22Å; E18-K24 PolarHBondContact OE1-NZ 3.27Å |
| 19 | F | 91.7 | Very high | 87.5 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 1% | 0.013 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 162.3 | -176.5 | -60.6 | -88.2 | 0 | 0 | 0 | 111.6 | T3 V4 V17 N21 G22 E23 L25 L43 L48 | T3-F19 CarbonylContact O-C 3.5Å; T3-F19 WeakPolarHBondContact O-CA 3.34Å; V4-F19 HydrophobicContact CG2-CD1 4.16Å; V4-F19 HydrophobicContact CG2-CE1 3.86Å; V17-F19 HydrophobicContact CB-CE2 4.22Å; V17-F19 HydrophobicContact CB-CZ 4.31Å; V17-F19 HydrophobicContact CG1-CE1 4.1Å; V17-F19 HydrophobicContact CG1-CE2 3.81Å; V17-F19 HydrophobicContact CG1-CZ 3.57Å; F19-N21 WeakPolarHBondContact CB-OD1 3.35Å; F19-N21 PolarHBondContact O-N 2.71Å; F19-G22 PolarHBondContact O-N 3.31Å; F19-E23 HydrophobicContact CD2-CB 4.47Å; F19-E23 PolarHBondContact N-O 3.44Å; F19-L25 HydrophobicContact CD2-CG 4.49Å; F19-L25 HydrophobicContact CE2-CB 4.14Å; F19-L25 HydrophobicContact CE2-CD1 3.58Å; F19-L25 HydrophobicContact CE2-CG 3.75Å; F19-L25 HydrophobicContact CZ-CD1 4.02Å; F19-L43 HydrophobicContact CD1-CD1 4.31Å; F19-L43 HydrophobicContact CE1-CD1 3.67Å; F19-L48 HydrophobicContact CD1-CD1 4.1Å; F19-L48 HydrophobicContact CD2-CD1 4.21Å; F19-L48 HydrophobicContact CE1-CD1 3.65Å; F19-L48 HydrophobicContact CE2-CD1 3.8Å; F19-L48 HydrophobicContact CG-CD1 4.36Å; F19-L48 HydrophobicContact CZ-CD1 3.48Å; F19-L48 VanDerWaalsContact CZ-CD1 3.48Å |
| 20 | S | 91 | Very high | 87.3 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.6 | -176.2 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | T3 G22 | T3-S20 PolarHBondContact N-OG 2.84Å; T3-S20 PolarHBondContact O-N 3.17Å; S20-G22 VanDerWaalsContact C-N 3.26Å |
| 21 | N | 88.3 | Confident | 87.5 | Confident | 79 Ų | 79 | 63 Ų | 63 | 42% | 0.422 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 0.5 | 171.6 | 64.6 | -5.4 | 0 | 0 | 0 | 113.7 | L2 F19 E23 | L2-N21 HydrophobicContact CD2-CB 3.52Å; F19-N21 WeakPolarHBondContact CB-OD1 3.35Å; F19-N21 PolarHBondContact O-N 2.71Å; N21-E23 VanDerWaalsContact C-N 3.32Å; N21-E23 PolarHBondContact ND2-OE2 2.76Å; N21-E23 WeakPolarHBondContact OD1-CB 3.18Å; N21-E23 PolarHBondContact OD1-N 3.12Å |
| 22 | G | 87.4 | Confident | 88.1 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 50% | 0.495 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 84.4 | -3.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | F19 S20 | F19-G22 PolarHBondContact O-N 3.31Å; S20-G22 VanDerWaalsContact C-N 3.26Å |
| 23 | E | 88 | Confident | 88.7 | Confident | 72 Ų | 72 | 54.6 Ų | 54.6 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | trans | -65.6 | 144.6 | 173.5 | -77 | -173.5 | 132.4 | 0 | 0 | 111.3 | E18 F19 N21 L48 K52 | E18-E23 WeakPolarHBondContact CA-O 3.44Å; F19-E23 HydrophobicContact CD2-CB 4.47Å; F19-E23 PolarHBondContact N-O 3.44Å; N21-E23 VanDerWaalsContact C-N 3.32Å; N21-E23 PolarHBondContact ND2-OE2 2.76Å; N21-E23 WeakPolarHBondContact OD1-CB 3.18Å; N21-E23 PolarHBondContact OD1-N 3.12Å; E23-L48 WeakPolarHBondContact OE2-CD2 3.46Å; E23-K52 IonicContact OE1-NZ 2.93Å; E23-K52 PolarHBondContact OE1-NZ 3.39Å; E23-K52 WeakPolarHBondContact OE2-CE 3.42Å; E23-K52 IonicContact OE2-NZ 4Å; E23-K52 PolarHBondContact OE2-NZ 2.74Å | ||
| 24 | K | 90 | Very high | 89.1 | Confident | 144 Ų | 144 | 57.4 Ų | 57.4 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 120.3 | 179.3 | -69.3 | 173.5 | -179.8 | 172.5 | 0 | 109.1 | V17 E18 | V17-K24 WeakPolarHBondContact O-CA 3.44Å; E18-K24 HydrophobicContact CB-CG 4.33Å; E18-K24 HydrophobicContact CG-CG 4.1Å; E18-K24 WeakPolarHBondContact OE1-CE 3.49Å; E18-K24 IonicContact OE1-NZ 3.22Å; E18-K24 PolarHBondContact OE1-NZ 3.27Å |
| 25 | L | 88.4 | Confident | 89.1 | Confident | 31 Ų | 31 | 57 Ų | 57 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 142.6 | 175.8 | -61 | -179.5 | 0 | 0 | 0 | 110.4 | K16 V17 F19 L27 L48 I51 K52 | K16-L25 WeakPolarHBondContact CA-O 3.4Å; V17-L25 PolarHBondContact N-O 2.94Å; V17-L25 PolarHBondContact O-N 2.96Å; F19-L25 HydrophobicContact CD2-CG 4.49Å; F19-L25 HydrophobicContact CE2-CB 4.14Å; F19-L25 HydrophobicContact CE2-CD1 3.58Å; F19-L25 HydrophobicContact CE2-CG 3.75Å; F19-L25 HydrophobicContact CZ-CD1 4.02Å; L25-L27 HydrophobicContact CB-CD1 4.49Å; L25-L27 HydrophobicContact CB-CD2 4.11Å; L25-L27 HydrophobicContact CB-CG 4.05Å; L25-L48 HydrophobicContact CD1-CD1 3.83Å; L25-I51 HydrophobicContact CD1-CG2 4.33Å; L25-K52 HydrophobicContact CD1-CG 3.58Å; L25-K52 HydrophobicContact CD2-CD 4.43Å; L25-K52 HydrophobicContact CD2-CG 3.8Å; L25-K52 HydrophobicContact CG-CG 4.36Å |
| 26 | R | 89.1 | Confident | 89 | Confident | 106 Ų | 106 | 63.9 Ų | 63.9 | 40% | 0.4 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 116.2 | 165.2 | -61.2 | -175.4 | -170.8 | 153.6 | 11.9 | 106.6 | Y14 Y15 L59 E86 | Y14-R26 HydrophobicContact CD2-CB 3.76Å; Y14-R26 HydrophobicContact CD2-CG 3.82Å; Y14-R26 HydrophobicContact CE2-CB 4.15Å; Y14-R26 HydrophobicContact CE2-CG 3.67Å; Y14-R26 HydrophobicContact CG-CB 4.38Å; Y15-R26 WeakPolarHBondContact O-CA 3.32Å; R26-L59 HydrophobicContact CB-CD2 3.58Å; R26-L59 WeakPolarHBondContact O-CD2 3.19Å; R26-E86 IonicContact CZ-OE2 3.91Å; R26-E86 IonicContact NH1-OE2 2.71Å; R26-E86 PolarHBondContact NH1-OE2 3.36Å; R26-E86 IonicContact NH2-OE2 2.96Å; R26-E86 PolarHBondContact NH2-OE2 2.88Å |
| 27 | L | 89.1 | Confident | 88.8 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146.3 | -176.9 | -60.4 | 179.9 | 0 | 0 | 0 | 109.9 | Y14 Y15 V17 L25 T31 V32 L37 I51 | Y14-L27 CarbonylContact C-O 3.48Å; Y14-L27 WeakPolarHBondContact CA-O 3.38Å; Y15-L27 PolarHBondContact N-O 3.27Å; Y15-L27 PolarHBondContact O-N 3.22Å; V17-L27 HydrophobicContact CB-CD1 4.31Å; V17-L27 HydrophobicContact CG2-CD1 3.88Å; V17-L27 HydrophobicContact CG2-CG 4.42Å; L25-L27 HydrophobicContact CB-CD1 4.49Å; L25-L27 HydrophobicContact CB-CD2 4.11Å; L25-L27 HydrophobicContact CB-CG 4.05Å; L27-T31 HydrophobicContact CD2-CG2 4.2Å; L27-V32 HydrophobicContact CB-CG2 3.93Å; L27-V32 HydrophobicContact CD1-CG2 4.41Å; L27-L37 HydrophobicContact CD1-CD1 3.47Å; L27-L37 VanDerWaalsContact CD1-CD1 3.47Å; L27-I51 HydrophobicContact CD1-CG2 3.72Å; L27-I51 HydrophobicContact CD2-CG2 3.95Å |
| 28 | S | 87.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -65.3 | 159.3 | 169.6 | 80.1 | 0 | 0 | 0 | 0 | 110.4 | D30 T31 V32 | S28-D30 PolarHBondContact O-N 3.08Å; S28-D30 PolarHBondContact OG-N 2.71Å; S28-T31 PolarHBondContact O-N 2.96Å; S28-T31 PolarHBondContact OG-N 2.91Å; S28-T31 PolarHBondContact OG-OG1 2.94Å; S28-V32 WeakPolarHBondContact O-CG2 3.39Å; S28-V32 PolarHBondContact O-N 3.3Å; S28-V32 VanDerWaalsContact O-N 3.14Å | ||
| 29 | E | 86.7 | Confident | 88.6 | Confident | 109 Ų | 109 | 70.5 Ų | 70.5 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.3 | -39.9 | 172.3 | -172.9 | 166.7 | -175.1 | 0 | 0 | 111.4 | Y15 T31 V32 V33 | Y15-E29 HydrophobicContact CD2-CB 4.28Å; Y15-E29 HydrophobicContact CE2-CB 3.84Å; Y15-E29 HydrophobicContact CE2-CG 3.88Å; E29-T31 PolarHBondContact O-N 2.87Å; E29-V32 PolarHBondContact O-N 3Å; E29-V33 HydrophobicContact CG-CG2 4.49Å; E29-V33 WeakPolarHBondContact O-CG2 3.46Å; E29-V33 PolarHBondContact O-N 3.47Å |
| 30 | D | 86.1 | Confident | 88.3 | Confident | 85 Ų | 85 | 72.8 Ų | 72.8 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | -178.4 | -151.2 | 59 | 0 | 0 | 0 | 111.6 | S28 V33 R34 | S28-D30 PolarHBondContact O-N 3.08Å; S28-D30 PolarHBondContact OG-N 2.71Å; D30-V33 PolarHBondContact O-N 3.38Å; D30-R34 WeakPolarHBondContact O-CB 3.2Å; D30-R34 PolarHBondContact O-N 2.8Å; D30-R34 IonicContact OD2-CZ 3.49Å; D30-R34 IonicContact OD2-NE 2.94Å; D30-R34 IonicContact OD2-NH2 3.66Å; D30-R34 PolarHBondContact OD2-NH2 2.89Å |
| 31 | T | 88.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 175.6 | -46.2 | 0 | 0 | 0 | 0 | 111.6 | L27 S28 E29 V33 R34 H35 I51 D58 | L27-T31 HydrophobicContact CD2-CG2 4.2Å; S28-T31 PolarHBondContact O-N 2.96Å; S28-T31 PolarHBondContact OG-N 2.91Å; S28-T31 PolarHBondContact OG-OG1 2.94Å; E29-T31 PolarHBondContact O-N 2.87Å; T31-V33 VanDerWaalsContact C-N 3.33Å; T31-V33 PolarHBondContact O-N 3.3Å; T31-R34 PolarHBondContact O-N 3.34Å; T31-H35 PolarHBondContact O-CD2 3.18Å; T31-H35 PolarHBondContact O-N 3.33Å; T31-H35 VanDerWaalsContact O-N 3.15Å; T31-I51 HydrophobicContact CG2-CG2 4.5Å; T31-D58 WeakPolarHBondContact OG1-CB 3.37Å; T31-D58 PolarHBondContact OG1-OD2 3.46Å |
| 32 | V | 88.4 | Confident | 88.2 | Confident | 18 Ų | 18 | 73.9 Ų | 73.9 | 11% | 0.109 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | Y15 V17 L27 S28 E29 R36 L37 | Y15-V32 HydrophobicContact CG-CG2 4.46Å; V17-V32 HydrophobicContact CG2-CG2 4.26Å; L27-V32 HydrophobicContact CB-CG2 3.93Å; L27-V32 HydrophobicContact CD1-CG2 4.41Å; S28-V32 WeakPolarHBondContact O-CG2 3.39Å; S28-V32 PolarHBondContact O-N 3.3Å; S28-V32 VanDerWaalsContact O-N 3.14Å; E29-V32 PolarHBondContact O-N 3Å; V32-R36 CarbonylContact O-C 3.48Å; V32-R36 WeakPolarHBondContact O-CA 3.48Å; V32-R36 PolarHBondContact O-N 2.78Å; V32-R36 VanDerWaalsContact O-N 3.12Å; V32-L37 HydrophobicContact CG1-CB 4.16Å; V32-L37 PolarHBondContact O-N 2.92Å |
| 33 | V | 88.2 | Confident | 88.2 | Confident | 93 Ų | 93 | 71.7 Ų | 71.7 | 56% | 0.564 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.9 | -45 | 179.1 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | E29 D30 T31 H35 R36 | E29-V33 HydrophobicContact CG-CG2 4.49Å; E29-V33 WeakPolarHBondContact O-CG2 3.46Å; E29-V33 PolarHBondContact O-N 3.47Å; D30-V33 PolarHBondContact O-N 3.38Å; T31-V33 VanDerWaalsContact C-N 3.33Å; T31-V33 PolarHBondContact O-N 3.3Å; V33-H35 VanDerWaalsContact C-N 3.35Å; V33-H35 PolarHBondContact O-N 2.88Å; V33-R36 WeakPolarHBondContact O-CA 3.35Å; V33-R36 PolarHBondContact O-N 2.97Å |
| 34 | R | 86.7 | Confident | 88.2 | Confident | 106 Ų | 106 | 72.1 Ų | 72.1 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | -177.9 | -168.7 | -178.7 | -57.2 | 147.4 | 9.9 | 111.9 | D30 T31 R36 E54 D58 | D30-R34 WeakPolarHBondContact O-CB 3.2Å; D30-R34 PolarHBondContact O-N 2.8Å; D30-R34 IonicContact OD2-CZ 3.49Å; D30-R34 IonicContact OD2-NE 2.94Å; D30-R34 IonicContact OD2-NH2 3.66Å; D30-R34 PolarHBondContact OD2-NH2 2.89Å; T31-R34 PolarHBondContact O-N 3.34Å; R34-R36 VanDerWaalsContact C-N 3.29Å; R34-E54 IonicContact CZ-OE1 2.71Å; R34-E54 IonicContact NH1-OE1 2.75Å; R34-E54 PolarHBondContact NH1-OE1 3.38Å; R34-D58 IonicContact CZ-OD2 3.31Å; R34-D58 VanDerWaalsContact CZ-OD2 3.29Å; R34-D58 IonicContact NH1-OD2 2.88Å; R34-D58 PolarHBondContact NH1-OD2 3.02Å; R34-D58 IonicContact NH2-OD2 2.81Å; R34-D58 PolarHBondContact NH2-OD2 2.67Å |
| 35 | H | 87.9 | Confident | 87.9 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 12% | 0.116 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 3 | 176.6 | -69.6 | -74.2 | 0 | 0 | 0 | 113.9 | T31 V33 L37 Q41 I51 E54 | T31-H35 PolarHBondContact O-CD2 3.18Å; T31-H35 PolarHBondContact O-N 3.33Å; T31-H35 VanDerWaalsContact O-N 3.15Å; V33-H35 VanDerWaalsContact C-N 3.35Å; V33-H35 PolarHBondContact O-N 2.88Å; H35-L37 HydrophobicContact CB-CD1 4.43Å; H35-L37 HydrophobicContact CB-CD2 4.37Å; H35-L37 HydrophobicContact CB-CG 3.93Å; H35-L37 PolarHBondContact O-N 2.96Å; H35-Q41 PolarHBondContact O-NE2 3.41Å; H35-I51 HydrophobicContact CB-CD1 4.1Å; H35-I51 HydrophobicContact CB-CG1 4.2Å; H35-E54 IonicContact CD2-OE2 3.16Å; H35-E54 IonicContact CE1-OE2 3.99Å; H35-E54 IonicContact NE2-OE2 2.76Å; H35-E54 PolarHBondContact NE2-OE2 3.49Å |
| 36 | R | 88.5 | Confident | 87.8 | Confident | 197 Ų | 197 | 77.6 Ų | 77.6 | 74% | 0.743 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 36.6 | -179.3 | -58.4 | -178.6 | 178.5 | -176.4 | -0.4 | 113 | V32 V33 R34 L38 Q41 | V32-R36 CarbonylContact O-C 3.48Å; V32-R36 WeakPolarHBondContact O-CA 3.48Å; V32-R36 PolarHBondContact O-N 2.78Å; V32-R36 VanDerWaalsContact O-N 3.12Å; V33-R36 WeakPolarHBondContact O-CA 3.35Å; V33-R36 PolarHBondContact O-N 2.97Å; R34-R36 VanDerWaalsContact C-N 3.29Å; R36-L38 WeakPolarHBondContact O-CG 3.28Å; R36-L38 PolarHBondContact O-N 3.24Å; R36-L38 VanDerWaalsContact O-N 3.08Å; R36-Q41 PolarHBondContact O-OE1 2.94Å |
| 37 | L | 88.1 | Confident | 87.7 | Confident | 5 Ų | 5 | 75.7 Ų | 75.7 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | trans | -61.5 | 110.9 | -174.5 | -69.2 | 176 | 0 | 0 | 0 | 110.8 | V4 I7 L27 V32 H35 L43 I51 | V4-L37 HydrophobicContact CG2-CD2 4.14Å; I7-L37 HydrophobicContact CD1-CB 4.22Å; I7-L37 WeakPolarHBondContact CD1-O 3.41Å; L27-L37 HydrophobicContact CD1-CD1 3.47Å; L27-L37 VanDerWaalsContact CD1-CD1 3.47Å; V32-L37 HydrophobicContact CG1-CB 4.16Å; V32-L37 PolarHBondContact O-N 2.92Å; H35-L37 HydrophobicContact CB-CD1 4.43Å; H35-L37 HydrophobicContact CB-CD2 4.37Å; H35-L37 HydrophobicContact CB-CG 3.93Å; H35-L37 PolarHBondContact O-N 2.96Å; L37-L43 HydrophobicContact CD2-CD1 3.65Å; L37-L43 HydrophobicContact CD2-CD2 4.21Å; L37-I51 HydrophobicContact CD1-CD1 4.45Å; L37-I51 HydrophobicContact CD1-CG2 4.43Å; L37-I51 HydrophobicContact CD2-CD1 4.03Å | ||
| 38 | L | 90.4 | Very high | 87.6 | Confident | 122 Ų | 122 | 75.7 Ų | 75.7 | 64% | 0.639 | 37% | 0.366 | S | S | * | . | trans | -123.5 | 150.2 | 177.6 | -67.6 | 169.4 | 0 | 0 | 0 | 110.5 | V4 R36 G40 Q41 | V4-L38 WeakPolarHBondContact CB-O 3.42Å; R36-L38 WeakPolarHBondContact O-CG 3.28Å; R36-L38 PolarHBondContact O-N 3.24Å; R36-L38 VanDerWaalsContact O-N 3.08Å; L38-G40 PolarHBondContact O-N 2.89Å; L38-Q41 WeakPolarHBondContact O-CB 3.41Å; L38-Q41 PolarHBondContact O-N 3Å | ||
| 39 | K | 90.1 | Very high | 87.5 | Confident | 170 Ų | 170 | 80 Ų | 80 | 74% | 0.739 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 128.8 | 173 | -174.7 | -176.7 | 178.5 | -172.2 | 0 | 109.7 | V5 | V5-K39 WeakPolarHBondContact O-CE 3.06Š|
| 40 | G | 86.6 | Confident | 87.5 | Confident | 51 Ų | 51 | 79.3 Ų | 79.3 | 53% | 0.526 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -4.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V4 L38 | V4-G40 PolarHBondContact O-N 3.14Å; L38-G40 PolarHBondContact O-N 2.89Å |
| 41 | Q | 87.9 | Confident | 87.6 | Confident | 51 Ų | 51 | 75.3 Ų | 75.3 | 24% | 0.238 | 37% | 0.365 | C | S | . | . | trans | -69.7 | 135.2 | 176 | -174.9 | 175.1 | -2.7 | 0 | 0 | 111.2 | T3 V4 H35 R36 L38 | T3-Q41 CarbonylContact C-O 3.5Å; T3-Q41 VanDerWaalsContact CA-O 3.32Å; T3-Q41 WeakPolarHBondContact CA-O 3.42Å; V4-Q41 HydrophobicContact CG2-CB 4.41Å; V4-Q41 PolarHBondContact N-O 3.12Å; H35-Q41 PolarHBondContact O-NE2 3.41Å; R36-Q41 PolarHBondContact O-OE1 2.94Å; L38-Q41 WeakPolarHBondContact O-CB 3.41Å; L38-Q41 PolarHBondContact O-N 3Å | ||
| 42 | E | 87.8 | Confident | 87.4 | Confident | 115 Ų | 115 | 77.8 Ų | 77.8 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 136.1 | 173.4 | -64.3 | -173.2 | 160.5 | 0 | 0 | 110.7 | M1 L2 T3 | M1-E42 HydrophobicContact CB-CB 4.47Å; M1-E42 HydrophobicContact CE-CB 4.11Å; M1-E42 VanDerWaalsContact CE-OE2 3.3Å; M1-E42 WeakPolarHBondContact CE-OE2 3.43Å; M1-E42 HydrophobicContact SD-CB 4.07Å; L2-E42 CarbonylContact O-C 3.58Å; L2-E42 WeakPolarHBondContact O-CA 3.34Å; T3-E42 HydrophobicContact CG2-CG 4.41Å |
| 43 | L | 87.3 | Confident | 87 | Confident | 3 Ų | 3 | 84.1 Ų | 84.1 | 2% | 0.016 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144.9 | 179.2 | -63 | 148.8 | 0 | 0 | 0 | 108.3 | M1 L2 V4 F19 L37 M47 I51 | M1-L43 CarbonylContact C-O 3.56Å; M1-L43 VanDerWaalsContact CA-O 3.31Å; M1-L43 WeakPolarHBondContact CA-O 3.3Å; L2-L43 PolarHBondContact N-O 2.91Å; L2-L43 PolarHBondContact O-N 3Å; V4-L43 HydrophobicContact CG2-CD1 3.82Å; F19-L43 HydrophobicContact CD1-CD1 4.31Å; F19-L43 HydrophobicContact CE1-CD1 3.67Å; L37-L43 HydrophobicContact CD2-CD1 3.65Å; L37-L43 HydrophobicContact CD2-CD2 4.21Å; L43-M47 HydrophobicContact CD2-CB 4.46Å; L43-M47 HydrophobicContact CD2-CE 4.35Å; L43-M47 HydrophobicContact CD2-CG 3.96Å; L43-M47 HydrophobicContact CD2-SD 3.84Å; L43-I51 HydrophobicContact CD1-CD1 4.44Å; L43-I51 HydrophobicContact CD2-CD1 4.05Å |
| 44 | D | 88.4 | Confident | 86.7 | Confident | 81 Ų | 81 | 82.8 Ų | 82.8 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | trans | -80 | 167.1 | 166.6 | 67.2 | 24.6 | 0 | 0 | 0 | 110.8 | K46 M47 L48 | D44-K46 PolarHBondContact O-N 2.72Å; D44-K46 PolarHBondContact OD1-N 3.15Å; D44-M47 PolarHBondContact O-N 3.44Å; D44-M47 WeakPolarHBondContact OD1-CB 3.44Å; D44-M47 PolarHBondContact OD1-N 2.73Å; D44-L48 PolarHBondContact O-N 3.32Å; D44-L48 VanDerWaalsContact O-N 3.12Å | ||
| 45 | E | 84.2 | Confident | 86.4 | Confident | 147 Ų | 147 | 77.7 Ų | 77.7 | 69% | 0.687 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.7 | -34.7 | -179.7 | -77.9 | -177.9 | 164.3 | 0 | 0 | 112 | L2 L48 D49 | L2-E45 HydrophobicContact CD1-CG 4.19Å; E45-L48 PolarHBondContact O-N 2.64Å; E45-D49 PolarHBondContact O-N 2.92Å |
| 46 | K | 87.3 | Confident | 86.2 | Confident | 143 Ų | 143 | 79.9 Ų | 79.9 | 62% | 0.622 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.3 | -45.3 | -179.4 | -170.4 | -174.9 | 174.2 | -167.2 | 0 | 111.2 | D44 L48 D49 E50 | D44-K46 PolarHBondContact O-N 2.72Å; D44-K46 PolarHBondContact OD1-N 3.15Å; K46-L48 VanDerWaalsContact C-N 3.33Å; K46-D49 PolarHBondContact O-N 3.3Å; K46-E50 WeakPolarHBondContact CE-OE1 3.45Å; K46-E50 WeakPolarHBondContact O-CG 3.41Å; K46-E50 PolarHBondContact O-N 3.43Å |
| 47 | M | 86 | Confident | 86.1 | Confident | 65 Ų | 65 | 72.6 Ų | 72.6 | 32% | 0.32 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.6 | -34.4 | 178.5 | -163.2 | 162.9 | -175.3 | 0 | 0 | 111.3 | L43 D44 E50 I51 | L43-M47 HydrophobicContact CD2-CB 4.46Å; L43-M47 HydrophobicContact CD2-CE 4.35Å; L43-M47 HydrophobicContact CD2-CG 3.96Å; L43-M47 HydrophobicContact CD2-SD 3.84Å; D44-M47 PolarHBondContact O-N 3.44Å; D44-M47 WeakPolarHBondContact OD1-CB 3.44Å; D44-M47 PolarHBondContact OD1-N 2.73Å; M47-E50 PolarHBondContact O-N 3.12Å; M47-I51 HydrophobicContact CG-CD1 4.35Å; M47-I51 WeakPolarHBondContact O-CB 3.32Å; M47-I51 WeakPolarHBondContact O-CD1 3.33Å; M47-I51 WeakPolarHBondContact O-CG1 3.33Å; M47-I51 PolarHBondContact O-N 3.09Å |
| 48 | L | 86.5 | Confident | 86.1 | Confident | 3 Ų | 3 | 73.2 Ų | 73.2 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 172.1 | -177.4 | 61.8 | 0 | 0 | 0 | 112 | L2 F19 E23 L25 D44 E45 K46 I51 K52 | L2-L48 HydrophobicContact CD1-CD2 3.36Å; F19-L48 HydrophobicContact CD1-CD1 4.1Å; F19-L48 HydrophobicContact CD2-CD1 4.21Å; F19-L48 HydrophobicContact CE1-CD1 3.65Å; F19-L48 HydrophobicContact CE2-CD1 3.8Å; F19-L48 HydrophobicContact CG-CD1 4.36Å; F19-L48 HydrophobicContact CZ-CD1 3.48Å; F19-L48 VanDerWaalsContact CZ-CD1 3.48Å; E23-L48 WeakPolarHBondContact OE2-CD2 3.46Å; L25-L48 HydrophobicContact CD1-CD1 3.83Å; D44-L48 PolarHBondContact O-N 3.32Å; D44-L48 VanDerWaalsContact O-N 3.12Å; E45-L48 PolarHBondContact O-N 2.64Å; K46-L48 VanDerWaalsContact C-N 3.33Å; L48-I51 PolarHBondContact O-N 3.39Å; L48-K52 WeakPolarHBondContact O-CG 3.18Å; L48-K52 PolarHBondContact O-N 3.03Å |
| 49 | D | 85.7 | Confident | 86.1 | Confident | 92 Ų | 92 | 67.9 Ų | 67.9 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.1 | -37.7 | 176.7 | -78.3 | -16.8 | 0 | 0 | 0 | 112.3 | E45 K46 K52 Q53 | E45-D49 PolarHBondContact O-N 2.92Å; K46-D49 PolarHBondContact O-N 3.3Å; D49-K52 PolarHBondContact O-N 2.81Å; D49-K52 IonicContact OD1-NZ 2.71Å; D49-Q53 PolarHBondContact O-N 2.97Å |
| 50 | E | 86.8 | Confident | 86.2 | Confident | 94 Ų | 94 | 59.8 Ų | 59.8 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 170.8 | -74.3 | 172.8 | -172.8 | 0 | 0 | 111.1 | K46 M47 K52 Q53 E54 | K46-E50 WeakPolarHBondContact CE-OE1 3.45Å; K46-E50 WeakPolarHBondContact O-CG 3.41Å; K46-E50 PolarHBondContact O-N 3.43Å; M47-E50 PolarHBondContact O-N 3.12Å; E50-K52 VanDerWaalsContact C-N 3.3Å; E50-K52 PolarHBondContact O-N 2.85Å; E50-Q53 PolarHBondContact O-N 3.48Å; E50-E54 WeakPolarHBondContact O-CB 3.47Å; E50-E54 PolarHBondContact O-N 3.23Å |
| 51 | I | 87.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 175.9 | -69.6 | 162.3 | 0 | 0 | 0 | 111.6 | L25 L27 T31 H35 L37 L43 M47 L48 G55 | L25-I51 HydrophobicContact CD1-CG2 4.33Å; L27-I51 HydrophobicContact CD1-CG2 3.72Å; L27-I51 HydrophobicContact CD2-CG2 3.95Å; T31-I51 HydrophobicContact CG2-CG2 4.5Å; H35-I51 HydrophobicContact CB-CD1 4.1Å; H35-I51 HydrophobicContact CB-CG1 4.2Å; L37-I51 HydrophobicContact CD1-CD1 4.45Å; L37-I51 HydrophobicContact CD1-CG2 4.43Å; L37-I51 HydrophobicContact CD2-CD1 4.03Å; L43-I51 HydrophobicContact CD1-CD1 4.44Å; L43-I51 HydrophobicContact CD2-CD1 4.05Å; M47-I51 HydrophobicContact CG-CD1 4.35Å; M47-I51 WeakPolarHBondContact O-CB 3.32Å; M47-I51 WeakPolarHBondContact O-CD1 3.33Å; M47-I51 WeakPolarHBondContact O-CG1 3.33Å; M47-I51 PolarHBondContact O-N 3.09Å; L48-I51 PolarHBondContact O-N 3.39Å; I51-G55 VanDerWaalsContact O-CA 3.28Å; I51-G55 WeakPolarHBondContact O-CA 3.41Å; I51-G55 PolarHBondContact O-N 3.07Å |
| 52 | K | 84.3 | Confident | 86.7 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 23% | 0.226 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 177.2 | -79.5 | 175 | -175.6 | 169.2 | 0 | 111.5 | E23 L25 L48 D49 E50 Q56 | E23-K52 IonicContact OE1-NZ 2.93Å; E23-K52 PolarHBondContact OE1-NZ 3.39Å; E23-K52 WeakPolarHBondContact OE2-CE 3.42Å; E23-K52 IonicContact OE2-NZ 4Å; E23-K52 PolarHBondContact OE2-NZ 2.74Å; L25-K52 HydrophobicContact CD1-CG 3.58Å; L25-K52 HydrophobicContact CD2-CD 4.43Å; L25-K52 HydrophobicContact CD2-CG 3.8Å; L25-K52 HydrophobicContact CG-CG 4.36Å; L48-K52 WeakPolarHBondContact O-CG 3.18Å; L48-K52 PolarHBondContact O-N 3.03Å; D49-K52 PolarHBondContact O-N 2.81Å; D49-K52 IonicContact OD1-NZ 2.71Å; E50-K52 VanDerWaalsContact C-N 3.3Å; E50-K52 PolarHBondContact O-N 2.85Å; K52-Q56 PolarHBondContact O-N 2.81Å |
| 53 | Q | 80.5 | Confident | 86.9 | Confident | 151 Ų | 151 | 53.8 Ų | 53.8 | 71% | 0.706 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.4 | -46.8 | 179.5 | -80.4 | -166.7 | -8.4 | 0 | 0 | 111.8 | D49 E50 | D49-Q53 PolarHBondContact O-N 2.97Å; E50-Q53 PolarHBondContact O-N 3.48Å |
| 54 | E | 81.3 | Confident | 87.3 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -74 | -37.4 | -177.7 | -168.1 | 176.7 | -156 | 0 | 0 | 112.1 | R34 H35 E50 Q56 E57 D58 | R34-E54 IonicContact CZ-OE1 2.71Å; R34-E54 IonicContact NH1-OE1 2.75Å; R34-E54 PolarHBondContact NH1-OE1 3.38Å; H35-E54 IonicContact CD2-OE2 3.16Å; H35-E54 IonicContact CE1-OE2 3.99Å; H35-E54 IonicContact NE2-OE2 2.76Å; H35-E54 PolarHBondContact NE2-OE2 3.49Å; E50-E54 WeakPolarHBondContact O-CB 3.47Å; E50-E54 PolarHBondContact O-N 3.23Å; E54-Q56 PolarHBondContact O-N 3.32Å; E54-E57 PolarHBondContact O-N 3.36Å; E54-D58 PolarHBondContact O-N 3.36Å; E54-D58 VanDerWaalsContact O-N 3.09Å |
| 55 | G | 81.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67 | -33.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I51 L59 | I51-G55 VanDerWaalsContact O-CA 3.28Å; I51-G55 WeakPolarHBondContact O-CA 3.41Å; I51-G55 PolarHBondContact O-N 3.07Å; G55-L59 WeakPolarHBondContact O-CB 3.39Å; G55-L59 PolarHBondContact O-N 3.44Å; G55-L59 VanDerWaalsContact O-N 3.12Å |
| 56 | Q | 82.7 | Confident | 88 | Confident | 70 Ų | 70 | 49 Ų | 49 | 33% | 0.327 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.4 | -41 | 175.5 | -74.5 | -150.9 | 4.5 | 0 | 0 | 112.3 | K52 E54 G60 | K52-Q56 PolarHBondContact O-N 2.81Å; E54-Q56 PolarHBondContact O-N 3.32Å; Q56-G60 PolarHBondContact O-N 3.12Å |
| 57 | E | 87.1 | Confident | 88.4 | Confident | 44 Ų | 44 | 44.1 Ų | 44.1 | 21% | 0.206 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -50.3 | 178.9 | -171.6 | 179.2 | 158.5 | 0 | 0 | 111.4 | E54 L59 G60 F61 D91 K94 I95 | E54-E57 PolarHBondContact O-N 3.36Å; E57-L59 PolarHBondContact O-N 3.23Å; E57-G60 PolarHBondContact O-N 3.33Å; E57-F61 WeakPolarHBondContact O-CB 3.47Å; E57-F61 PolarHBondContact O-N 2.81Å; E57-D91 HydrophobicContact CB-CB 4.35Å; E57-K94 HydrophobicContact CG-CD 4.41Å; E57-K94 WeakPolarHBondContact OE2-CD 3.18Å; E57-K94 IonicContact OE2-NZ 3.97Å; E57-K94 PolarHBondContact OE2-NZ 3.48Å; E57-I95 HydrophobicContact CG-CG1 4.29Å |
| 58 | D | 88.1 | Confident | 88.8 | Confident | 18 Ų | 18 | 42.4 Ų | 42.4 | 10% | 0.096 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | -179.3 | -88.1 | -15.1 | 0 | 0 | 0 | 112.3 | T31 R34 E54 F61 Q62 | T31-D58 WeakPolarHBondContact OG1-CB 3.37Å; T31-D58 PolarHBondContact OG1-OD2 3.46Å; R34-D58 IonicContact CZ-OD2 3.31Å; R34-D58 VanDerWaalsContact CZ-OD2 3.29Å; R34-D58 IonicContact NH1-OD2 2.88Å; R34-D58 PolarHBondContact NH1-OD2 3.02Å; R34-D58 IonicContact NH2-OD2 2.81Å; R34-D58 PolarHBondContact NH2-OD2 2.67Å; E54-D58 PolarHBondContact O-N 3.36Å; E54-D58 VanDerWaalsContact O-N 3.09Å; D58-F61 PolarHBondContact O-N 2.8Å; D58-Q62 PolarHBondContact O-N 3.43Å |
| 59 | L | 90.2 | Very high | 89.2 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -48.1 | 174.8 | 174 | 58 | 0 | 0 | 0 | 111.1 | Y14 R26 G55 E57 F61 Q62 L63 I87 | Y14-L59 VanDerWaalsContact CB-CD1 3.47Å; Y14-L59 HydrophobicContact CG-CD1 4.37Å; R26-L59 HydrophobicContact CB-CD2 3.58Å; R26-L59 WeakPolarHBondContact O-CD2 3.19Å; G55-L59 WeakPolarHBondContact O-CB 3.39Å; G55-L59 PolarHBondContact O-N 3.44Å; G55-L59 VanDerWaalsContact O-N 3.12Å; E57-L59 PolarHBondContact O-N 3.23Å; L59-F61 VanDerWaalsContact C-N 3.26Å; L59-F61 PolarHBondContact O-N 3.08Å; L59-Q62 PolarHBondContact O-N 3.13Å; L59-L63 HydrophobicContact CD1-CD1 4.14Å; L59-L63 HydrophobicContact CD1-CG 4.17Å; L59-L63 HydrophobicContact CG-CD1 4.07Å; L59-L63 WeakPolarHBondContact O-CG 3.29Å; L59-L63 PolarHBondContact O-N 3.4Å; L59-I87 HydrophobicContact CG-CD1 4.5Å |
| 60 | G | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -37.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q56 E57 L63 A64 L82 | Q56-G60 PolarHBondContact O-N 3.12Å; E57-G60 PolarHBondContact O-N 3.33Å; G60-L63 PolarHBondContact O-N 2.96Å; G60-A64 WeakPolarHBondContact O-CB 3.49Å; G60-A64 PolarHBondContact O-N 3Å; G60-L82 WeakPolarHBondContact O-CD2 3.44Å |
| 61 | F | 93.5 | Very high | 89.9 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.8 | -45.9 | 175.4 | -173.2 | -106.8 | 0 | 0 | 0 | 112.2 | E57 D58 L59 L63 A64 L65 I95 R98 L99 M102 | E57-F61 WeakPolarHBondContact O-CB 3.47Å; E57-F61 PolarHBondContact O-N 2.81Å; D58-F61 PolarHBondContact O-N 2.8Å; L59-F61 VanDerWaalsContact C-N 3.26Å; L59-F61 PolarHBondContact O-N 3.08Å; F61-L63 PolarHBondContact O-N 3.48Å; F61-A64 WeakPolarHBondContact O-CB 3.42Å; F61-A64 PolarHBondContact O-N 3.35Å; F61-L65 HydrophobicContact CD1-CD1 3.99Å; F61-L65 HydrophobicContact CD1-CG 4.42Å; F61-L65 HydrophobicContact CE1-CD1 3.56Å; F61-L65 HydrophobicContact CE1-CG 4.1Å; F61-L65 HydrophobicContact CZ-CD1 4.07Å; F61-L65 HydrophobicContact CZ-CD2 4.19Å; F61-L65 HydrophobicContact CZ-CG 4.22Å; F61-L65 WeakPolarHBondContact O-CG 3.39Å; F61-L65 PolarHBondContact O-N 3.23Å; F61-I95 HydrophobicContact CB-CG1 4.31Å; F61-I95 HydrophobicContact CD2-CG2 4.32Å; F61-R98 HydrophobicContact CD2-CG 4.39Å; F61-R98 HydrophobicContact CE2-CB 4.32Å; F61-R98 HydrophobicContact CE2-CG 3.79Å; F61-R98 HydrophobicContact CZ-CG 4.34Å; F61-L99 HydrophobicContact CD2-CD2 4.21Å; F61-L99 HydrophobicContact CD2-CG 4.25Å; F61-L99 HydrophobicContact CE2-CD2 3.6Å; F61-L99 HydrophobicContact CE2-CG 3.89Å; F61-L99 HydrophobicContact CZ-CD2 4.29Å; F61-M102 HydrophobicContact CE2-SD 4.19Å; F61-M102 HydrophobicContact CZ-CE 4.28Å; F61-M102 HydrophobicContact CZ-SD 3.67Å |
| 62 | Q | 91.3 | Very high | 90.3 | Very high | 57 Ų | 57 | 55.8 Ų | 55.8 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 175.3 | -75.5 | -163.5 | -15 | 0 | 0 | 112.8 | P13 D58 L59 A64 L65 N66 | P13-Q62 PolarHBondContact O-OE1 2.77Å; D58-Q62 PolarHBondContact O-N 3.43Å; L59-Q62 PolarHBondContact O-N 3.13Å; Q62-A64 VanDerWaalsContact C-N 3.31Å; Q62-A64 PolarHBondContact O-N 3.29Å; Q62-L65 PolarHBondContact O-N 2.96Å; Q62-N66 PolarHBondContact O-N 3.28Å; Q62-N66 VanDerWaalsContact O-N 3.1Å; Q62-N66 PolarHBondContact O-ND2 3.38Å; Q62-N66 VanDerWaalsContact O-ND2 3.1Å |
| 63 | L | 93.1 | Very high | 90.9 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 173.8 | -72.3 | 171.2 | 0 | 0 | 0 | 111.2 | P13 L59 G60 F61 N66 Y67 Y81 L82 N85 I87 | P13-L63 HydrophobicContact CG-CD2 3.75Å; P13-L63 HydrophobicContact CG-CG 4.46Å; L59-L63 HydrophobicContact CD1-CD1 4.14Å; L59-L63 HydrophobicContact CD1-CG 4.17Å; L59-L63 HydrophobicContact CG-CD1 4.07Å; L59-L63 WeakPolarHBondContact O-CG 3.29Å; L59-L63 PolarHBondContact O-N 3.4Å; G60-L63 PolarHBondContact O-N 2.96Å; F61-L63 PolarHBondContact O-N 3.48Å; L63-N66 PolarHBondContact O-N 2.95Å; L63-Y67 WeakPolarHBondContact O-CB 3.39Å; L63-Y67 PolarHBondContact O-N 2.67Å; L63-Y81 HydrophobicContact CB-CE1 4.16Å; L63-L82 HydrophobicContact CB-CD2 4.44Å; L63-N85 HydrophobicContact CD1-CB 4.01Å; L63-I87 HydrophobicContact CD1-CD1 4.35Å |
| 64 | A | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G60 F61 Q62 N66 Y67 L68 L78 L82 I95 L99 | G60-A64 WeakPolarHBondContact O-CB 3.49Å; G60-A64 PolarHBondContact O-N 3Å; F61-A64 WeakPolarHBondContact O-CB 3.42Å; F61-A64 PolarHBondContact O-N 3.35Å; Q62-A64 VanDerWaalsContact C-N 3.31Å; Q62-A64 PolarHBondContact O-N 3.29Å; A64-N66 PolarHBondContact O-N 2.76Å; A64-Y67 PolarHBondContact O-N 2.98Å; A64-Y67 VanDerWaalsContact O-N 3.15Å; A64-L68 WeakPolarHBondContact O-CB 3.36Å; A64-L68 VanDerWaalsContact O-CG 3.29Å; A64-L68 WeakPolarHBondContact O-CG 3.22Å; A64-L68 PolarHBondContact O-N 3.14Å; A64-L78 HydrophobicContact CB-CD1 3.7Å; A64-L78 HydrophobicContact CB-CD2 4.45Å; A64-L82 HydrophobicContact CB-CD2 4.3Å; A64-I95 HydrophobicContact CB-CG2 3.94Å; A64-L99 HydrophobicContact CB-CD1 3.57Å |
| 65 | L | 94.2 | Very high | 92.5 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 30% | 0.304 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.5 | -47.6 | 177.3 | -71.9 | 178.4 | 0 | 0 | 0 | 111.7 | F61 Q62 Y67 L68 S69 L99 L104 | F61-L65 HydrophobicContact CD1-CD1 3.99Å; F61-L65 HydrophobicContact CD1-CG 4.42Å; F61-L65 HydrophobicContact CE1-CD1 3.56Å; F61-L65 HydrophobicContact CE1-CG 4.1Å; F61-L65 HydrophobicContact CZ-CD1 4.07Å; F61-L65 HydrophobicContact CZ-CD2 4.19Å; F61-L65 HydrophobicContact CZ-CG 4.22Å; F61-L65 WeakPolarHBondContact O-CG 3.39Å; F61-L65 PolarHBondContact O-N 3.23Å; Q62-L65 PolarHBondContact O-N 2.96Å; L65-Y67 VanDerWaalsContact C-N 3.29Å; L65-Y67 PolarHBondContact O-N 3.22Å; L65-L68 PolarHBondContact O-N 3.2Å; L65-S69 PolarHBondContact O-N 2.86Å; L65-L99 HydrophobicContact CD2-CD2 3.83Å; L65-L104 HydrophobicContact CD2-CD1 3.51Å |
| 66 | N | 92.6 | Very high | 93.3 | Very high | 73 Ų | 73 | 51.5 Ų | 51.5 | 39% | 0.39 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -36.3 | 176.6 | -71.5 | -37.7 | 0 | 0 | 0 | 112 | Q62 L63 A64 S69 Y70 | Q62-N66 PolarHBondContact O-N 3.28Å; Q62-N66 VanDerWaalsContact O-N 3.1Å; Q62-N66 PolarHBondContact O-ND2 3.38Å; Q62-N66 VanDerWaalsContact O-ND2 3.1Å; L63-N66 PolarHBondContact O-N 2.95Å; A64-N66 PolarHBondContact O-N 2.76Å; N66-S69 PolarHBondContact O-OG 2.94Å; N66-Y70 WeakPolarHBondContact O-CD2 3.44Å; N66-Y70 WeakPolarHBondContact O-CE2 3.03Å |
| 67 | Y | 95 | Very high | 94 | Very high | 41 Ų | 41 | 49.8 Ų | 49.8 | 16% | 0.161 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.3 | -38.3 | 178.2 | -175.2 | -118.8 | 0 | 0 | 0 | 112.8 | L63 A64 L65 R73 L78 Y81 | L63-Y67 WeakPolarHBondContact O-CB 3.39Å; L63-Y67 PolarHBondContact O-N 2.67Å; A64-Y67 PolarHBondContact O-N 2.98Å; A64-Y67 VanDerWaalsContact O-N 3.15Å; L65-Y67 VanDerWaalsContact C-N 3.29Å; L65-Y67 PolarHBondContact O-N 3.22Å; Y67-R73 HydrophobicContact CD1-CG 4Å; Y67-R73 HydrophobicContact CE1-CB 4.35Å; Y67-R73 HydrophobicContact CE1-CG 3.66Å; Y67-R73 VanDerWaalsContact CZ-NE 3.34Å; Y67-R73 PolarHBondContact OH-NE 2.87Å; Y67-L78 HydrophobicContact CD1-CD1 3.95Å; Y67-Y81 AromaticContact CD1-CD1 3.84Å; Y67-Y81 HydrophobicContact CD1-CD1 3.84Å; Y67-Y81 HydrophobicContact CD1-CE1 4.42Å; Y67-Y81 AromaticContact CD1-CG 3.89Å; Y67-Y81 HydrophobicContact CD1-CG 3.89Å; Y67-Y81 HydrophobicContact CD2-CD1 4.16Å; Y67-Y81 AromaticContact CD2-CD2 3.77Å; Y67-Y81 HydrophobicContact CD2-CD2 3.77Å; Y67-Y81 HydrophobicContact CD2-CE1 4.18Å; Y67-Y81 AromaticContact CD2-CE2 3.79Å; Y67-Y81 HydrophobicContact CD2-CE2 3.79Å; Y67-Y81 AromaticContact CD2-CG 3.95Å; Y67-Y81 HydrophobicContact CD2-CG 3.95Å; Y67-Y81 HydrophobicContact CE1-CD1 4.41Å; Y67-Y81 HydrophobicContact CE1-CG 4.02Å; Y67-Y81 AromaticContact CE2-CD2 3.81Å; Y67-Y81 HydrophobicContact CE2-CD2 3.81Å; Y67-Y81 HydrophobicContact CE2-CE2 4.2Å; Y67-Y81 HydrophobicContact CE2-CG 4.1Å; Y67-Y81 AromaticContact CG-CD1 3.68Å; Y67-Y81 HydrophobicContact CG-CD1 3.68Å; Y67-Y81 HydrophobicContact CG-CD2 4.15Å; Y67-Y81 AromaticContact CG-CE1 3.82Å; Y67-Y81 HydrophobicContact CG-CE1 3.82Å; Y67-Y81 HydrophobicContact CG-CE2 4.27Å; Y67-Y81 AromaticContact CG-CG 3.85Å; Y67-Y81 HydrophobicContact CG-CG 3.85Å |
| 68 | L | 95.5 | Very high | 94.5 | Very high | 28 Ų | 28 | 47.7 Ų | 47.7 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -74.6 | -26.1 | 178.6 | -69.1 | 170.2 | 0 | 0 | 0 | 112.8 | A64 L65 Y70 R73 L99 L105 | A64-L68 WeakPolarHBondContact O-CB 3.36Å; A64-L68 VanDerWaalsContact O-CG 3.29Å; A64-L68 WeakPolarHBondContact O-CG 3.22Å; A64-L68 PolarHBondContact O-N 3.14Å; L65-L68 PolarHBondContact O-N 3.2Å; L68-Y70 PolarHBondContact O-N 2.86Å; L68-R73 HydrophobicContact CD2-CB 3.75Å; L68-R73 HydrophobicContact CD2-CG 3.89Å; L68-L99 HydrophobicContact CD1-CD1 4.07Å; L68-L99 HydrophobicContact CD1-CD2 4.01Å; L68-L105 HydrophobicContact CD2-CD1 4.14Å |
| 69 | S | 94.4 | Very high | 94.9 | Very high | 88 Ų | 88 | 49.7 Ų | 49.7 | 62% | 0.615 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -18.1 | -178.7 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | L65 N66 | L65-S69 PolarHBondContact O-N 2.86Å; N66-S69 PolarHBondContact O-OG 2.94Å |
| 70 | Y | 93.4 | Very high | 95.2 | Very high | 183 Ų | 183 | 52.3 Ų | 52.3 | 72% | 0.718 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -38.5 | -178.4 | -66.9 | -73.1 | 0 | 0 | 0 | 114 | N66 L68 | N66-Y70 WeakPolarHBondContact O-CD2 3.44Å; N66-Y70 WeakPolarHBondContact O-CE2 3.03Å; L68-Y70 PolarHBondContact O-N 2.86Å |
| 71 | Q | 93.6 | Very high | 95.4 | Very high | 109 Ų | 109 | 54.7 Ų | 54.7 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -166.4 | 160.6 | -177.7 | 65.5 | -171.9 | -79 | 0 | 0 | 110.5 | R73 | Q71-R73 VanDerWaalsContact CG-NE 3.33Å; Q71-R73 VanDerWaalsContact NE2-CZ 3.28Å; Q71-R73 WeakPolarHBondContact O-CG 3.35Å; Q71-R73 PolarHBondContact O-N 3.32Å |
| 72 | L | 95.4 | Very high | 95.6 | Very high | 90 Ų | 90 | 53.9 Ų | 53.9 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | trans | -57.4 | 134.2 | 170.7 | -70.6 | 167.8 | 0 | 0 | 0 | 110.9 | V109 Y110 | L72-V109 HydrophobicContact CD2-CG1 4.41Å; L72-Y110 HydrophobicContact CB-CD2 4.04Å | ||
| 73 | R | 97.3 | Very high | 95.8 | Very high | 39 Ų | 39 | 58 Ų | 58 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | trans | -130 | 152.8 | 179.5 | -56.7 | -60.2 | -169.7 | 178.9 | 4.1 | 110.9 | Y67 L68 Q71 E77 | Y67-R73 HydrophobicContact CD1-CG 4Å; Y67-R73 HydrophobicContact CE1-CB 4.35Å; Y67-R73 HydrophobicContact CE1-CG 3.66Å; Y67-R73 VanDerWaalsContact CZ-NE 3.34Å; Y67-R73 PolarHBondContact OH-NE 2.87Å; L68-R73 HydrophobicContact CD2-CB 3.75Å; L68-R73 HydrophobicContact CD2-CG 3.89Å; Q71-R73 VanDerWaalsContact CG-NE 3.33Å; Q71-R73 VanDerWaalsContact NE2-CZ 3.28Å; Q71-R73 WeakPolarHBondContact O-CG 3.35Å; Q71-R73 PolarHBondContact O-N 3.32Å; R73-E77 WeakPolarHBondContact CA-OE2 3.33Å; R73-E77 HydrophobicContact CB-CB 4.46Å | ||
| 74 | T | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -84.4 | 160.5 | 167.8 | 70.6 | 0 | 0 | 0 | 0 | 112 | K76 E77 L78 D107 Y110 K136 L138 | T74-K76 PolarHBondContact O-N 3.27Å; T74-E77 PolarHBondContact N-OE2 3.49Å; T74-E77 PolarHBondContact O-N 3.3Å; T74-E77 VanDerWaalsContact O-N 3.13Å; T74-E77 WeakPolarHBondContact OG1-CG 3.39Å; T74-E77 PolarHBondContact OG1-N 3.1Å; T74-L78 PolarHBondContact O-N 2.82Å; T74-D107 VanDerWaalsContact CA-OD1 3.32Å; T74-D107 WeakPolarHBondContact CA-OD1 3.45Å; T74-Y110 HydrophobicContact CG2-CD1 3.37Å; T74-Y110 HydrophobicContact CG2-CD2 3.87Å; T74-Y110 HydrophobicContact CG2-CE1 3.42Å; T74-Y110 VanDerWaalsContact CG2-CE1 3.42Å; T74-Y110 HydrophobicContact CG2-CE2 3.9Å; T74-Y110 HydrophobicContact CG2-CG 3.61Å; T74-K136 HydrophobicContact CG2-CB 4.23Å; T74-K136 PolarHBondContact OG1-O 3.37Å; T74-L138 HydrophobicContact CG2-CD1 3.6Å | ||
| 75 | E | 97.6 | Very high | 95.7 | Very high | 35 Ų | 35 | 66.7 Ų | 66.7 | 16% | 0.164 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54.9 | -41.3 | 172 | -179.7 | -178.2 | 159.9 | 0 | 0 | 111.3 | E77 L78 R79 V96 K100 L105 D107 | E75-E77 PolarHBondContact O-N 3.1Å; E75-L78 PolarHBondContact O-N 3.47Å; E75-R79 HydrophobicContact CG-CG 4.33Å; E75-R79 WeakPolarHBondContact O-CB 3.45Å; E75-R79 VanDerWaalsContact O-CG 3.31Å; E75-R79 WeakPolarHBondContact O-CG 3.45Å; E75-R79 PolarHBondContact O-N 3.31Å; E75-R79 IonicContact OE1-CZ 2.72Å; E75-R79 IonicContact OE1-NE 2.73Å; E75-R79 PolarHBondContact OE1-NE 2.91Å; E75-R79 IonicContact OE1-NH2 3.56Å; E75-R79 PolarHBondContact OE1-NH2 3.21Å; E75-V96 HydrophobicContact CG-CG1 3.86Å; E75-V96 HydrophobicContact CG-CG2 4.39Å; E75-K100 WeakPolarHBondContact OE2-CE 3.44Å; E75-K100 IonicContact OE2-NZ 3.8Å; E75-K100 PolarHBondContact OE2-NZ 2.96Å; E75-L105 HydrophobicContact CB-CD2 4.23Å; E75-L105 HydrophobicContact CG-CD2 4.38Å; E75-D107 PolarHBondContact N-OD1 3.2Å |
| 76 | K | 97.6 | Very high | 95.5 | Very high | 104 Ų | 104 | 70 Ų | 70 | 45% | 0.452 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 177 | -178.4 | 179.5 | 177.4 | 180 | 0 | 112 | T74 T80 Q135 K136 | T74-K76 PolarHBondContact O-N 3.27Å; K76-T80 WeakPolarHBondContact O-CB 3.41Å; K76-T80 PolarHBondContact O-N 3.46Å; K76-T80 PolarHBondContact O-OG1 2.87Å; K76-Q135 PolarHBondContact NZ-O 2.99Å; K76-K136 WeakPolarHBondContact CB-O 3.43Å |
| 77 | E | 97.5 | Very high | 95.4 | Very high | 34 Ų | 34 | 66.8 Ų | 66.8 | 16% | 0.159 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 176.7 | -72.8 | 175.4 | 149.6 | 0 | 0 | 110.8 | R73 T74 E75 T80 Y81 K136 | R73-E77 WeakPolarHBondContact CA-OE2 3.33Å; R73-E77 HydrophobicContact CB-CB 4.46Å; T74-E77 PolarHBondContact N-OE2 3.49Å; T74-E77 PolarHBondContact O-N 3.3Å; T74-E77 VanDerWaalsContact O-N 3.13Å; T74-E77 WeakPolarHBondContact OG1-CG 3.39Å; T74-E77 PolarHBondContact OG1-N 3.1Å; E75-E77 PolarHBondContact O-N 3.1Å; E77-T80 PolarHBondContact O-N 3.47Å; E77-Y81 WeakPolarHBondContact O-CB 3.49Å; E77-Y81 PolarHBondContact O-N 3.21Å; E77-K136 IonicContact OE1-NZ 3.25Å; E77-K136 PolarHBondContact OE1-NZ 3.43Å |
| 78 | L | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64 | -46 | 177.6 | 179.3 | 65.6 | 0 | 0 | 0 | 112.1 | A64 Y67 T74 E75 T80 Y81 L82 V96 L99 L105 | A64-L78 HydrophobicContact CB-CD1 3.7Å; A64-L78 HydrophobicContact CB-CD2 4.45Å; Y67-L78 HydrophobicContact CD1-CD1 3.95Å; T74-L78 PolarHBondContact O-N 2.82Å; E75-L78 PolarHBondContact O-N 3.47Å; L78-T80 VanDerWaalsContact C-N 3.27Å; L78-T80 PolarHBondContact O-N 2.95Å; L78-Y81 WeakPolarHBondContact O-CB 3.44Å; L78-Y81 PolarHBondContact O-N 2.93Å; L78-L82 HydrophobicContact CD1-CD1 4.25Å; L78-L82 HydrophobicContact CD1-CG 4.19Å; L78-L82 HydrophobicContact CG-CD1 4.07Å; L78-L82 HydrophobicContact CG-CG 4.4Å; L78-L82 WeakPolarHBondContact O-CG 3.37Å; L78-L82 PolarHBondContact O-N 3.01Å; L78-V96 HydrophobicContact CD2-CG2 4.26Å; L78-L99 HydrophobicContact CD2-CD1 3.52Å; L78-L105 HydrophobicContact CD2-CD1 4.22Å; L78-L105 HydrophobicContact CD2-CD2 3.7Å |
| 79 | R | 97.3 | Very high | 95 | Very high | 60 Ų | 60 | 72.2 Ų | 72.2 | 23% | 0.226 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61 | -38.4 | 177.3 | -74.8 | 179.9 | -178 | -82 | 2.8 | 112.1 | E75 K83 Q93 V96 | E75-R79 HydrophobicContact CG-CG 4.33Å; E75-R79 WeakPolarHBondContact O-CB 3.45Å; E75-R79 VanDerWaalsContact O-CG 3.31Å; E75-R79 WeakPolarHBondContact O-CG 3.45Å; E75-R79 PolarHBondContact O-N 3.31Å; E75-R79 IonicContact OE1-CZ 2.72Å; E75-R79 IonicContact OE1-NE 2.73Å; E75-R79 PolarHBondContact OE1-NE 2.91Å; E75-R79 IonicContact OE1-NH2 3.56Å; E75-R79 PolarHBondContact OE1-NH2 3.21Å; R79-K83 VanDerWaalsContact O-CB 3.29Å; R79-K83 WeakPolarHBondContact O-CB 3.23Å; R79-K83 PolarHBondContact O-N 2.84Å; R79-Q93 VanDerWaalsContact NH1-OE1 3.11Å; R79-V96 HydrophobicContact CG-CG2 4.02Å |
| 80 | T | 97.1 | Very high | 94.9 | Very high | 66 Ų | 66 | 71.2 Ų | 71.2 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 175.8 | -55 | 0 | 0 | 0 | 0 | 110.1 | K76 E77 L78 L82 K83 E84 | K76-T80 WeakPolarHBondContact O-CB 3.41Å; K76-T80 PolarHBondContact O-N 3.46Å; K76-T80 PolarHBondContact O-OG1 2.87Å; E77-T80 PolarHBondContact O-N 3.47Å; L78-T80 VanDerWaalsContact C-N 3.27Å; L78-T80 PolarHBondContact O-N 2.95Å; T80-L82 PolarHBondContact O-N 3.45Å; T80-K83 WeakPolarHBondContact O-CB 3.44Å; T80-K83 PolarHBondContact O-N 2.94Å; T80-E84 WeakPolarHBondContact O-CG 3.41Å; T80-E84 PolarHBondContact O-N 3.4Å |
| 81 | Y | 96.9 | Very high | 94.8 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 20% | 0.2 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | 176.9 | 175 | -102.3 | 0 | 0 | 0 | 112.7 | L63 Y67 E77 L78 K83 E84 N85 | L63-Y81 HydrophobicContact CB-CE1 4.16Å; Y67-Y81 AromaticContact CD1-CD1 3.84Å; Y67-Y81 HydrophobicContact CD1-CD1 3.84Å; Y67-Y81 HydrophobicContact CD1-CE1 4.42Å; Y67-Y81 AromaticContact CD1-CG 3.89Å; Y67-Y81 HydrophobicContact CD1-CG 3.89Å; Y67-Y81 HydrophobicContact CD2-CD1 4.16Å; Y67-Y81 AromaticContact CD2-CD2 3.77Å; Y67-Y81 HydrophobicContact CD2-CD2 3.77Å; Y67-Y81 HydrophobicContact CD2-CE1 4.18Å; Y67-Y81 AromaticContact CD2-CE2 3.79Å; Y67-Y81 HydrophobicContact CD2-CE2 3.79Å; Y67-Y81 AromaticContact CD2-CG 3.95Å; Y67-Y81 HydrophobicContact CD2-CG 3.95Å; Y67-Y81 HydrophobicContact CE1-CD1 4.41Å; Y67-Y81 HydrophobicContact CE1-CG 4.02Å; Y67-Y81 AromaticContact CE2-CD2 3.81Å; Y67-Y81 HydrophobicContact CE2-CD2 3.81Å; Y67-Y81 HydrophobicContact CE2-CE2 4.2Å; Y67-Y81 HydrophobicContact CE2-CG 4.1Å; Y67-Y81 AromaticContact CG-CD1 3.68Å; Y67-Y81 HydrophobicContact CG-CD1 3.68Å; Y67-Y81 HydrophobicContact CG-CD2 4.15Å; Y67-Y81 AromaticContact CG-CE1 3.82Å; Y67-Y81 HydrophobicContact CG-CE1 3.82Å; Y67-Y81 HydrophobicContact CG-CE2 4.27Å; Y67-Y81 AromaticContact CG-CG 3.85Å; Y67-Y81 HydrophobicContact CG-CG 3.85Å; E77-Y81 WeakPolarHBondContact O-CB 3.49Å; E77-Y81 PolarHBondContact O-N 3.21Å; L78-Y81 WeakPolarHBondContact O-CB 3.44Å; L78-Y81 PolarHBondContact O-N 2.93Å; Y81-K83 VanDerWaalsContact C-N 3.34Å; Y81-K83 PolarHBondContact O-N 3.37Å; Y81-E84 PolarHBondContact O-N 3.36Å; Y81-N85 WeakPolarHBondContact CE2-ND2 3.31Å; Y81-N85 PolarHBondContact O-N 2.73Å; Y81-N85 VanDerWaalsContact O-N 3.12Å; Y81-N85 PolarHBondContact O-ND2 3.21Å |
| 82 | L | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.5 | -36.6 | 178 | -68 | 174.4 | 0 | 0 | 0 | 112.2 | G60 L63 A64 L78 T80 N85 E86 I87 R92 I95 | G60-L82 WeakPolarHBondContact O-CD2 3.44Å; L63-L82 HydrophobicContact CB-CD2 4.44Å; A64-L82 HydrophobicContact CB-CD2 4.3Å; L78-L82 HydrophobicContact CD1-CD1 4.25Å; L78-L82 HydrophobicContact CD1-CG 4.19Å; L78-L82 HydrophobicContact CG-CD1 4.07Å; L78-L82 HydrophobicContact CG-CG 4.4Å; L78-L82 WeakPolarHBondContact O-CG 3.37Å; L78-L82 PolarHBondContact O-N 3.01Å; T80-L82 PolarHBondContact O-N 3.45Å; L82-N85 CarbonylContact O-C 3.58Å; L82-N85 PolarHBondContact O-N 3.1Å; L82-E86 PolarHBondContact O-N 3.02Å; L82-I87 HydrophobicContact CB-CB 4.24Å; L82-I87 HydrophobicContact CB-CG1 4.4Å; L82-I87 HydrophobicContact CD2-CG1 4.19Å; L82-I87 WeakPolarHBondContact O-CB 3.39Å; L82-I87 PolarHBondContact O-N 2.7Å; L82-I87 VanDerWaalsContact O-N 3.08Å; L82-R92 HydrophobicContact CB-CG 3.8Å; L82-R92 HydrophobicContact CD1-CG 4.27Å; L82-I95 HydrophobicContact CD1-CB 4.4Å; L82-I95 HydrophobicContact CD1-CD1 4.38Å; L82-I95 HydrophobicContact CD1-CG2 3.89Å |
| 83 | K | 95.7 | Very high | 94.8 | Very high | 145 Ų | 145 | 60.2 Ų | 60.2 | 63% | 0.63 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.8 | -42.7 | 174.3 | -179.9 | -177 | 175.9 | -175.5 | 0 | 111.6 | R79 T80 Y81 N85 E86 | R79-K83 VanDerWaalsContact O-CB 3.29Å; R79-K83 WeakPolarHBondContact O-CB 3.23Å; R79-K83 PolarHBondContact O-N 2.84Å; T80-K83 WeakPolarHBondContact O-CB 3.44Å; T80-K83 PolarHBondContact O-N 2.94Å; Y81-K83 VanDerWaalsContact C-N 3.34Å; Y81-K83 PolarHBondContact O-N 3.37Å; K83-N85 PolarHBondContact O-N 2.76Å; K83-E86 PolarHBondContact O-N 3.42Å; K83-E86 VanDerWaalsContact O-N 3.13Å |
| 84 | E | 95.4 | Very high | 94.7 | Very high | 143 Ų | 143 | 63 Ų | 63 | 67% | 0.668 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.5 | -24.8 | 175.9 | -72.5 | 173.1 | 176.2 | 0 | 0 | 112.5 | T80 Y81 E86 | T80-E84 WeakPolarHBondContact O-CG 3.41Å; T80-E84 PolarHBondContact O-N 3.4Å; Y81-E84 PolarHBondContact O-N 3.36Å; E84-E86 VanDerWaalsContact C-N 3.33Å |
| 85 | N | 91.5 | Very high | 94.6 | Very high | 53 Ų | 53 | 63 Ų | 63 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 20.3 | 174.5 | -72.9 | -85.6 | 0 | 0 | 0 | 113.8 | L63 Y81 L82 K83 I87 | L63-N85 HydrophobicContact CD1-CB 4.01Å; Y81-N85 WeakPolarHBondContact CE2-ND2 3.31Å; Y81-N85 PolarHBondContact O-N 2.73Å; Y81-N85 VanDerWaalsContact O-N 3.12Å; Y81-N85 PolarHBondContact O-ND2 3.21Å; L82-N85 CarbonylContact O-C 3.58Å; L82-N85 PolarHBondContact O-N 3.1Å; K83-N85 PolarHBondContact O-N 2.76Å; N85-I87 PolarHBondContact O-N 2.9Å |
| 86 | E | 90.3 | Very high | 94.5 | Very high | 127 Ų | 127 | 61.5 Ų | 61.5 | 59% | 0.593 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 24.4 | 172.4 | -53.7 | 171.1 | 145.7 | 0 | 0 | 114.2 | R26 L82 K83 E84 | R26-E86 IonicContact CZ-OE2 3.91Å; R26-E86 IonicContact NH1-OE2 2.71Å; R26-E86 PolarHBondContact NH1-OE2 3.36Å; R26-E86 IonicContact NH2-OE2 2.96Å; R26-E86 PolarHBondContact NH2-OE2 2.88Å; L82-E86 PolarHBondContact O-N 3.02Å; K83-E86 PolarHBondContact O-N 3.42Å; K83-E86 VanDerWaalsContact O-N 3.13Å; E84-E86 VanDerWaalsContact C-N 3.33Å |
| 87 | I | 90.9 | Very high | 94.4 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | trans | -81.4 | 128.4 | 174.3 | -54.2 | -57.5 | 0 | 0 | 0 | 109.6 | L59 L63 L82 N85 D91 R92 I95 | L59-I87 HydrophobicContact CG-CD1 4.5Å; L63-I87 HydrophobicContact CD1-CD1 4.35Å; L82-I87 HydrophobicContact CB-CB 4.24Å; L82-I87 HydrophobicContact CB-CG1 4.4Å; L82-I87 HydrophobicContact CD2-CG1 4.19Å; L82-I87 WeakPolarHBondContact O-CB 3.39Å; L82-I87 PolarHBondContact O-N 2.7Å; L82-I87 VanDerWaalsContact O-N 3.08Å; N85-I87 PolarHBondContact O-N 2.9Å; I87-D91 HydrophobicContact CG2-CB 4.07Å; I87-R92 HydrophobicContact CB-CG 4.15Å; I87-R92 HydrophobicContact CG2-CG 3.9Å; I87-R92 PolarHBondContact O-NH1 3.33Å; I87-I95 HydrophobicContact CG2-CD1 3.9Å | ||
| 88 | E | 90.4 | Very high | 94.4 | Very high | 114 Ų | 114 | 62.3 Ų | 62.3 | 53% | 0.533 | 31% | 0.307 | S | S | . | . | trans | -63.7 | 155.9 | -175.5 | -79.4 | -61.6 | 157.3 | 0 | 0 | 114.3 | A90 D91 R92 | E88-A90 VanDerWaalsContact C-N 3.31Å; E88-A90 PolarHBondContact O-N 3.46Å; E88-D91 PolarHBondContact O-N 3.48Å; E88-R92 WeakPolarHBondContact O-CG 3.42Å; E88-R92 PolarHBondContact O-N 3.46Å | ||
| 89 | S | 92.3 | Very high | 94.3 | Very high | 69 Ų | 69 | 62.3 Ų | 62.3 | 48% | 0.483 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.8 | -34.9 | -172.4 | -158.7 | 0 | 0 | 0 | 0 | 114.4 | R92 Q93 | S89-R92 VanDerWaalsContact CA-NH2 3.28Å; S89-R92 PolarHBondContact OG-NH2 3.33Å; S89-R92 VanDerWaalsContact OG-NH2 3.07Å; S89-Q93 PolarHBondContact O-N 2.94Å |
| 90 | A | 91 | Very high | 94.3 | Very high | 68 Ų | 68 | 63.9 Ų | 63.9 | 56% | 0.562 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66 | -44.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E88 Q93 K94 | E88-A90 VanDerWaalsContact C-N 3.31Å; E88-A90 PolarHBondContact O-N 3.46Å; A90-Q93 WeakPolarHBondContact O-CB 3.46Å; A90-Q93 PolarHBondContact O-N 2.9Å; A90-K94 PolarHBondContact O-N 3.5Å |
| 91 | D | 91.6 | Very high | 94.3 | Very high | 17 Ų | 17 | 68.1 Ų | 68.1 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.5 | -37.2 | -178.4 | -58 | -42 | 0 | 0 | 0 | 111.6 | E57 I87 E88 Q93 K94 I95 | E57-D91 HydrophobicContact CB-CB 4.35Å; I87-D91 HydrophobicContact CG2-CB 4.07Å; E88-D91 PolarHBondContact O-N 3.48Å; D91-Q93 PolarHBondContact O-N 2.91Å; D91-K94 PolarHBondContact O-N 3.41Å; D91-K94 VanDerWaalsContact O-N 3.14Å; D91-K94 IonicContact OD1-NZ 3.62Å; D91-K94 PolarHBondContact OD1-NZ 2.94Å; D91-I95 HydrophobicContact CB-CD1 4.48Å; D91-I95 WeakPolarHBondContact O-CB 3.24Å; D91-I95 WeakPolarHBondContact O-CD1 3.29Å; D91-I95 WeakPolarHBondContact O-CG1 3.45Å; D91-I95 PolarHBondContact O-N 3.15Å |
| 92 | R | 94.9 | Very high | 94.2 | Very high | 42 Ų | 42 | 70.4 Ų | 70.4 | 16% | 0.158 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -53.6 | -39 | 170.1 | -71.4 | -171.5 | -54.1 | -110.9 | 3.7 | 112 | L82 I87 E88 S89 V96 | L82-R92 HydrophobicContact CB-CG 3.8Å; L82-R92 HydrophobicContact CD1-CG 4.27Å; I87-R92 HydrophobicContact CB-CG 4.15Å; I87-R92 HydrophobicContact CG2-CG 3.9Å; I87-R92 PolarHBondContact O-NH1 3.33Å; E88-R92 WeakPolarHBondContact O-CG 3.42Å; E88-R92 PolarHBondContact O-N 3.46Å; S89-R92 VanDerWaalsContact CA-NH2 3.28Å; S89-R92 PolarHBondContact OG-NH2 3.33Å; S89-R92 VanDerWaalsContact OG-NH2 3.07Å; R92-V96 WeakPolarHBondContact O-CB 3.43Å; R92-V96 VanDerWaalsContact O-CG2 3.24Å; R92-V96 WeakPolarHBondContact O-CG2 3.29Å; R92-V96 PolarHBondContact O-N 3.01Å; R92-V96 VanDerWaalsContact O-N 3.1Å |
| 93 | Q | 95.1 | Very high | 94.1 | Very high | 92 Ų | 92 | 75.7 Ų | 75.7 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.3 | -47.9 | 178.4 | -177.4 | 60.9 | 23.2 | 0 | 0 | 111.5 | R79 S89 A90 D91 V96 V97 | R79-Q93 VanDerWaalsContact NH1-OE1 3.11Å; S89-Q93 PolarHBondContact O-N 2.94Å; A90-Q93 WeakPolarHBondContact O-CB 3.46Å; A90-Q93 PolarHBondContact O-N 2.9Å; D91-Q93 PolarHBondContact O-N 2.91Å; Q93-V96 PolarHBondContact O-N 2.76Å; Q93-V97 WeakPolarHBondContact O-CG2 3.35Å; Q93-V97 PolarHBondContact O-N 3.14Å |
| 94 | K | 93.8 | Very high | 94.1 | Very high | 97 Ų | 97 | 72.8 Ų | 72.8 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 178.8 | -62.2 | 176.2 | -174.2 | 164.6 | 0 | 112.1 | E57 A90 D91 V96 V97 R98 | E57-K94 HydrophobicContact CG-CD 4.41Å; E57-K94 WeakPolarHBondContact OE2-CD 3.18Å; E57-K94 IonicContact OE2-NZ 3.97Å; E57-K94 PolarHBondContact OE2-NZ 3.48Å; A90-K94 PolarHBondContact O-N 3.5Å; D91-K94 PolarHBondContact O-N 3.41Å; D91-K94 VanDerWaalsContact O-N 3.14Å; D91-K94 IonicContact OD1-NZ 3.62Å; D91-K94 PolarHBondContact OD1-NZ 2.94Å; K94-V96 VanDerWaalsContact C-N 3.34Å; K94-V96 PolarHBondContact O-N 3.02Å; K94-V97 PolarHBondContact O-N 3.33Å; K94-R98 WeakPolarHBondContact O-CB 3.44Å; K94-R98 PolarHBondContact O-N 3.19Å |
| 95 | I | 95.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 177.2 | -68.2 | 159.3 | 0 | 0 | 0 | 110.5 | E57 F61 A64 L82 I87 D91 R98 L99 | E57-I95 HydrophobicContact CG-CG1 4.29Å; F61-I95 HydrophobicContact CB-CG1 4.31Å; F61-I95 HydrophobicContact CD2-CG2 4.32Å; A64-I95 HydrophobicContact CB-CG2 3.94Å; L82-I95 HydrophobicContact CD1-CB 4.4Å; L82-I95 HydrophobicContact CD1-CD1 4.38Å; L82-I95 HydrophobicContact CD1-CG2 3.89Å; I87-I95 HydrophobicContact CG2-CD1 3.9Å; D91-I95 HydrophobicContact CB-CD1 4.48Å; D91-I95 WeakPolarHBondContact O-CB 3.24Å; D91-I95 WeakPolarHBondContact O-CD1 3.29Å; D91-I95 WeakPolarHBondContact O-CG1 3.45Å; D91-I95 PolarHBondContact O-N 3.15Å; I95-R98 PolarHBondContact O-N 3.13Å; I95-L99 HydrophobicContact CG2-CD1 3.62Å; I95-L99 HydrophobicContact CG2-CG 4.39Å; I95-L99 WeakPolarHBondContact O-CB 3.07Å; I95-L99 WeakPolarHBondContact O-CD1 3.34Å; I95-L99 VanDerWaalsContact O-CG 3.23Å; I95-L99 WeakPolarHBondContact O-CG 3.02Å; I95-L99 PolarHBondContact O-N 3.3Å |
| 96 | V | 96.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 177.5 | 166.6 | 0 | 0 | 0 | 0 | 111.5 | E75 L78 R79 R92 Q93 K94 L99 K100 L105 | E75-V96 HydrophobicContact CG-CG1 3.86Å; E75-V96 HydrophobicContact CG-CG2 4.39Å; L78-V96 HydrophobicContact CD2-CG2 4.26Å; R79-V96 HydrophobicContact CG-CG2 4.02Å; R92-V96 WeakPolarHBondContact O-CB 3.43Å; R92-V96 VanDerWaalsContact O-CG2 3.24Å; R92-V96 WeakPolarHBondContact O-CG2 3.29Å; R92-V96 PolarHBondContact O-N 3.01Å; R92-V96 VanDerWaalsContact O-N 3.1Å; Q93-V96 PolarHBondContact O-N 2.76Å; K94-V96 VanDerWaalsContact C-N 3.34Å; K94-V96 PolarHBondContact O-N 3.02Å; V96-L99 PolarHBondContact O-N 3.33Å; V96-K100 HydrophobicContact CG1-CD 4.29Å; V96-K100 WeakPolarHBondContact O-CG 3.44Å; V96-K100 PolarHBondContact O-N 3.36Å; V96-L105 HydrophobicContact CG1-CD2 4.05Å; V96-L105 HydrophobicContact CG2-CD2 4.45Å |
| 97 | V | 96.3 | Very high | 94.8 | Very high | 59 Ų | 59 | 60.8 Ų | 60.8 | 36% | 0.358 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60 | -50.2 | 177.4 | 171 | 0 | 0 | 0 | 0 | 110.4 | Q93 K94 L99 K100 E101 | Q93-V97 WeakPolarHBondContact O-CG2 3.35Å; Q93-V97 PolarHBondContact O-N 3.14Å; K94-V97 PolarHBondContact O-N 3.33Å; V97-L99 VanDerWaalsContact C-N 3.33Å; V97-L99 PolarHBondContact O-N 3.41Å; V97-K100 WeakPolarHBondContact O-CB 3.37Å; V97-K100 PolarHBondContact O-N 3.43Å; V97-K100 VanDerWaalsContact O-N 3.14Å; V97-E101 HydrophobicContact CG1-CG 4.49Å; V97-E101 WeakPolarHBondContact O-CG 3.14Å; V97-E101 PolarHBondContact O-N 3.4Å |
| 98 | R | 96 | Very high | 95 | Very high | 97 Ų | 97 | 62.1 Ų | 62.1 | 37% | 0.366 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 179.4 | -172.3 | 174.8 | 177.7 | -179.5 | -1.7 | 112.4 | F61 K94 I95 E101 M102 | F61-R98 HydrophobicContact CD2-CG 4.39Å; F61-R98 HydrophobicContact CE2-CB 4.32Å; F61-R98 HydrophobicContact CE2-CG 3.79Å; F61-R98 HydrophobicContact CZ-CG 4.34Å; K94-R98 WeakPolarHBondContact O-CB 3.44Å; K94-R98 PolarHBondContact O-N 3.19Å; I95-R98 PolarHBondContact O-N 3.13Å; R98-E101 PolarHBondContact O-N 2.8Å; R98-M102 HydrophobicContact CG-SD 4.25Å; R98-M102 VanDerWaalsContact O-CG 3.29Å; R98-M102 WeakPolarHBondContact O-CG 3.48Å; R98-M102 PolarHBondContact O-N 3.03Å; R98-M102 VanDerWaalsContact O-N 3.13Å |
| 99 | L | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 177.9 | -70.5 | 164.4 | 0 | 0 | 0 | 113 | F61 A64 L65 L68 L78 I95 V96 V97 D103 L104 L105 | F61-L99 HydrophobicContact CD2-CD2 4.21Å; F61-L99 HydrophobicContact CD2-CG 4.25Å; F61-L99 HydrophobicContact CE2-CD2 3.6Å; F61-L99 HydrophobicContact CE2-CG 3.89Å; F61-L99 HydrophobicContact CZ-CD2 4.29Å; A64-L99 HydrophobicContact CB-CD1 3.57Å; L65-L99 HydrophobicContact CD2-CD2 3.83Å; L68-L99 HydrophobicContact CD1-CD1 4.07Å; L68-L99 HydrophobicContact CD1-CD2 4.01Å; L78-L99 HydrophobicContact CD2-CD1 3.52Å; I95-L99 HydrophobicContact CG2-CD1 3.62Å; I95-L99 HydrophobicContact CG2-CG 4.39Å; I95-L99 WeakPolarHBondContact O-CB 3.07Å; I95-L99 WeakPolarHBondContact O-CD1 3.34Å; I95-L99 VanDerWaalsContact O-CG 3.23Å; I95-L99 WeakPolarHBondContact O-CG 3.02Å; I95-L99 PolarHBondContact O-N 3.3Å; V96-L99 PolarHBondContact O-N 3.33Å; V97-L99 VanDerWaalsContact C-N 3.33Å; V97-L99 PolarHBondContact O-N 3.41Å; L99-D103 PolarHBondContact O-N 3.35Å; L99-L104 HydrophobicContact CD2-CB 4.2Å; L99-L104 HydrophobicContact CD2-CD1 4.18Å; L99-L104 PolarHBondContact O-N 3.18Å; L99-L105 HydrophobicContact CB-CB 3.94Å; L99-L105 PolarHBondContact O-N 3.13Å |
| 100 | K | 96.5 | Very high | 95.6 | Very high | 92 Ų | 92 | 57.5 Ų | 57.5 | 40% | 0.4 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68 | -42.2 | 173.4 | -76.2 | -176.8 | 174.3 | -167.9 | 0 | 111.9 | E75 V96 V97 M102 D103 L105 | E75-K100 WeakPolarHBondContact OE2-CE 3.44Å; E75-K100 IonicContact OE2-NZ 3.8Å; E75-K100 PolarHBondContact OE2-NZ 2.96Å; V96-K100 HydrophobicContact CG1-CD 4.29Å; V96-K100 WeakPolarHBondContact O-CG 3.44Å; V96-K100 PolarHBondContact O-N 3.36Å; V97-K100 WeakPolarHBondContact O-CB 3.37Å; V97-K100 PolarHBondContact O-N 3.43Å; V97-K100 VanDerWaalsContact O-N 3.14Å; K100-M102 PolarHBondContact O-N 3.1Å; K100-D103 PolarHBondContact O-N 3.35Å; K100-L105 HydrophobicContact CG-CB 4.45Å; K100-L105 HydrophobicContact CG-CD2 4.35Å; K100-L105 WeakPolarHBondContact CG-O 3.48Å |
| 101 | E | 96.3 | Very high | 95.9 | Very high | 156 Ų | 156 | 54.2 Ų | 54.2 | 73% | 0.729 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.7 | -32.3 | 176.4 | -72.1 | 173.7 | 169.8 | 0 | 0 | 112.3 | V97 R98 D103 | V97-E101 HydrophobicContact CG1-CG 4.49Å; V97-E101 WeakPolarHBondContact O-CG 3.14Å; V97-E101 PolarHBondContact O-N 3.4Å; R98-E101 PolarHBondContact O-N 2.8Å; E101-D103 VanDerWaalsContact C-N 3.26Å; E101-D103 PolarHBondContact O-N 2.62Å |
| 102 | M | 95.5 | Very high | 96.2 | Very high | 99 Ų | 99 | 55.7 Ų | 55.7 | 49% | 0.488 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 2.1 | 174.4 | -64.4 | 174 | 67.8 | 0 | 0 | 113.7 | F61 R98 K100 L104 | F61-M102 HydrophobicContact CE2-SD 4.19Å; F61-M102 HydrophobicContact CZ-CE 4.28Å; F61-M102 HydrophobicContact CZ-SD 3.67Å; R98-M102 HydrophobicContact CG-SD 4.25Å; R98-M102 VanDerWaalsContact O-CG 3.29Å; R98-M102 WeakPolarHBondContact O-CG 3.48Å; R98-M102 PolarHBondContact O-N 3.03Å; R98-M102 VanDerWaalsContact O-N 3.13Å; K100-M102 PolarHBondContact O-N 3.1Å; M102-L104 HydrophobicContact CB-CD1 4.14Å; M102-L104 HydrophobicContact CB-CG 3.99Å; M102-L104 HydrophobicContact CE-CD1 3.89Å; M102-L104 PolarHBondContact O-N 3.06Å; M102-L104 VanDerWaalsContact O-N 3.13Å |
| 103 | D | 94 | Very high | 96.3 | Very high | 110 Ų | 110 | 55.9 Ų | 55.9 | 59% | 0.588 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 28.2 | -174.1 | -159.3 | 34.6 | 0 | 0 | 0 | 114 | L99 K100 E101 N106 | L99-D103 PolarHBondContact O-N 3.35Å; K100-D103 PolarHBondContact O-N 3.35Å; E101-D103 VanDerWaalsContact C-N 3.26Å; E101-D103 PolarHBondContact O-N 2.62Å; D103-N106 PolarHBondContact OD1-ND2 3.45Å |
| 104 | L | 95.1 | Very high | 96.4 | Very high | 85 Ų | 85 | 53.6 Ų | 53.6 | 45% | 0.445 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -89.8 | -14.2 | 175.2 | -63.9 | -179.8 | 0 | 0 | 0 | 112.4 | L65 L99 M102 | L65-L104 HydrophobicContact CD2-CD1 3.51Å; L99-L104 HydrophobicContact CD2-CB 4.2Å; L99-L104 HydrophobicContact CD2-CD1 4.18Å; L99-L104 PolarHBondContact O-N 3.18Å; M102-L104 HydrophobicContact CB-CD1 4.14Å; M102-L104 HydrophobicContact CB-CG 3.99Å; M102-L104 HydrophobicContact CE-CD1 3.89Å; M102-L104 PolarHBondContact O-N 3.06Å; M102-L104 VanDerWaalsContact O-N 3.13Å |
| 105 | L | 96.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | trans | -133.8 | 111 | 177.4 | -178.2 | 71.7 | 0 | 0 | 0 | 109.8 | L68 E75 L78 V96 L99 K100 | L68-L105 HydrophobicContact CD2-CD1 4.14Å; E75-L105 HydrophobicContact CB-CD2 4.23Å; E75-L105 HydrophobicContact CG-CD2 4.38Å; L78-L105 HydrophobicContact CD2-CD1 4.22Å; L78-L105 HydrophobicContact CD2-CD2 3.7Å; V96-L105 HydrophobicContact CG1-CD2 4.05Å; V96-L105 HydrophobicContact CG2-CD2 4.45Å; L99-L105 HydrophobicContact CB-CB 3.94Å; L99-L105 PolarHBondContact O-N 3.13Å; K100-L105 HydrophobicContact CG-CB 4.45Å; K100-L105 HydrophobicContact CG-CD2 4.35Å; K100-L105 WeakPolarHBondContact CG-O 3.48Å | ||
| 106 | N | 96.6 | Very high | 96.6 | Very high | 54 Ų | 54 | 55.3 Ų | 55.3 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | trans | -143.7 | 107.7 | -176.3 | -170.8 | -34.2 | 0 | 0 | 0 | 110.8 | D103 L108 V109 Y110 | D103-N106 PolarHBondContact OD1-ND2 3.45Å; N106-L108 VanDerWaalsContact C-N 3.33Å; N106-L108 PolarHBondContact O-N 2.69Å; N106-L108 WeakPolarHBondContact OD1-CB 3.5Å; N106-L108 PolarHBondContact OD1-N 3.02Å; N106-L108 VanDerWaalsContact OD1-N 3.16Å; N106-V109 HydrophobicContact CB-CB 3.95Å; N106-V109 HydrophobicContact CB-CG2 3.87Å; N106-V109 VanDerWaalsContact CG-CG2 3.43Å; N106-V109 PolarHBondContact O-N 2.95Å; N106-V109 PolarHBondContact OD1-N 3.47Å; N106-V109 VanDerWaalsContact OD1-N 3.14Å; N106-Y110 PolarHBondContact O-N 3.13Å | ||
| 107 | D | 97.5 | Very high | 96.6 | Very high | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.064 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.9 | -32.8 | -176.5 | -91.8 | 18.2 | 0 | 0 | 0 | 112.3 | T74 E75 Y110 G111 L138 | T74-D107 VanDerWaalsContact CA-OD1 3.32Å; T74-D107 WeakPolarHBondContact CA-OD1 3.45Å; E75-D107 PolarHBondContact N-OD1 3.2Å; D107-Y110 PolarHBondContact O-N 3.49Å; D107-G111 PolarHBondContact O-N 3.44Å; D107-L138 HydrophobicContact CB-CG 4.14Å; D107-L138 VanDerWaalsContact O-CD2 3.26Å; D107-L138 WeakPolarHBondContact O-CD2 3.37Å |
| 108 | L | 97 | Very high | 96.4 | Very high | 34 Ų | 34 | 56.4 Ų | 56.4 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -49.5 | 172.9 | 174 | 63 | 0 | 0 | 0 | 110.8 | N106 Y110 G111 E112 D142 Q145 | N106-L108 VanDerWaalsContact C-N 3.33Å; N106-L108 PolarHBondContact O-N 2.69Å; N106-L108 WeakPolarHBondContact OD1-CB 3.5Å; N106-L108 PolarHBondContact OD1-N 3.02Å; N106-L108 VanDerWaalsContact OD1-N 3.16Å; L108-Y110 VanDerWaalsContact C-N 3.27Å; L108-Y110 PolarHBondContact O-N 3.01Å; L108-G111 CarbonylContact O-C 3.53Å; L108-G111 WeakPolarHBondContact O-CA 3.32Å; L108-G111 PolarHBondContact O-N 2.98Å; L108-E112 HydrophobicContact CD1-CG 4.11Å; L108-E112 HydrophobicContact CG-CG 4.42Å; L108-E112 WeakPolarHBondContact O-CG 3.37Å; L108-E112 PolarHBondContact O-N 3.32Å; L108-D142 HydrophobicContact CB-CB 4.35Å; L108-Q145 HydrophobicContact CD1-CB 3.51Å |
| 109 | V | 96.8 | Very high | 96.4 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 38% | 0.376 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.7 | -41 | 177.8 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | L72 N106 S113 | L72-V109 HydrophobicContact CD2-CG1 4.41Å; N106-V109 HydrophobicContact CB-CB 3.95Å; N106-V109 HydrophobicContact CB-CG2 3.87Å; N106-V109 VanDerWaalsContact CG-CG2 3.43Å; N106-V109 PolarHBondContact O-N 2.95Å; N106-V109 PolarHBondContact OD1-N 3.47Å; N106-V109 VanDerWaalsContact OD1-N 3.14Å; V109-S113 VanDerWaalsContact O-CB 3.3Å; V109-S113 WeakPolarHBondContact O-CB 3.41Å; V109-S113 PolarHBondContact O-N 3.18Å; V109-S113 VanDerWaalsContact O-N 3.07Å |
| 110 | Y | 97.9 | Very high | 96.2 | Very high | 23 Ų | 23 | 64.3 Ų | 64.3 | 9% | 0.09 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.8 | -49.1 | 171.7 | 179.9 | -82.2 | 0 | 0 | 0 | 111.4 | L72 T74 N106 D107 L108 S113 Y114 K136 L138 | L72-Y110 HydrophobicContact CB-CD2 4.04Å; T74-Y110 HydrophobicContact CG2-CD1 3.37Å; T74-Y110 HydrophobicContact CG2-CD2 3.87Å; T74-Y110 HydrophobicContact CG2-CE1 3.42Å; T74-Y110 VanDerWaalsContact CG2-CE1 3.42Å; T74-Y110 HydrophobicContact CG2-CE2 3.9Å; T74-Y110 HydrophobicContact CG2-CG 3.61Å; N106-Y110 PolarHBondContact O-N 3.13Å; D107-Y110 PolarHBondContact O-N 3.49Å; L108-Y110 VanDerWaalsContact C-N 3.27Å; L108-Y110 PolarHBondContact O-N 3.01Å; Y110-S113 PolarHBondContact O-N 3.26Å; Y110-Y114 HydrophobicContact CE1-CD2 4.33Å; Y110-Y114 VanDerWaalsContact O-CB 3.3Å; Y110-Y114 WeakPolarHBondContact O-CB 3.34Å; Y110-Y114 PolarHBondContact O-N 3.01Å; Y110-K136 WeakPolarHBondContact OH-CE 3.48Å; Y110-L138 HydrophobicContact CD1-CD1 4.17Å |
| 111 | G | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.7 | -49.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | D107 L108 S113 Y114 V115 A146 | D107-G111 PolarHBondContact O-N 3.44Å; L108-G111 CarbonylContact O-C 3.53Å; L108-G111 WeakPolarHBondContact O-CA 3.32Å; L108-G111 PolarHBondContact O-N 2.98Å; G111-S113 PolarHBondContact O-N 3.09Å; G111-Y114 WeakPolarHBondContact O-CB 3.46Å; G111-Y114 PolarHBondContact O-N 3.22Å; G111-V115 WeakPolarHBondContact O-CG2 3.44Å; G111-V115 PolarHBondContact O-N 3.16Å; G111-A146 VanDerWaalsContact C-CB 3.46Å |
| 112 | E | 97.7 | Very high | 95.8 | Very high | 48 Ų | 48 | 59.8 Ų | 59.8 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 177.3 | -68.8 | -169 | 174.7 | 0 | 0 | 111.9 | L108 Y114 V115 R116 A146 L149 | L108-E112 HydrophobicContact CD1-CG 4.11Å; L108-E112 HydrophobicContact CG-CG 4.42Å; L108-E112 WeakPolarHBondContact O-CG 3.37Å; L108-E112 PolarHBondContact O-N 3.32Å; E112-Y114 VanDerWaalsContact C-N 3.31Å; E112-Y114 PolarHBondContact O-N 2.88Å; E112-V115 PolarHBondContact O-N 2.9Å; E112-R116 WeakPolarHBondContact O-CB 3.26Å; E112-R116 WeakPolarHBondContact O-CG 3.41Å; E112-R116 PolarHBondContact O-N 3.45Å; E112-R116 IonicContact OE2-CZ 2.72Å; E112-R116 IonicContact OE2-NH1 3.69Å; E112-R116 IonicContact OE2-NH2 3.51Å; E112-R116 PolarHBondContact OE2-NH2 3.45Å; E112-R116 VanDerWaalsContact OE2-NH2 3.12Å; E112-A146 HydrophobicContact CG-CB 4.45Å; E112-L149 HydrophobicContact CB-CD1 3.62Å; E112-L149 HydrophobicContact CG-CD1 3.52Å |
| 113 | S | 97 | Very high | 95.8 | Very high | 45 Ų | 45 | 57.7 Ų | 57.7 | 32% | 0.315 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 177.8 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | V109 Y110 G111 T117 | V109-S113 VanDerWaalsContact O-CB 3.3Å; V109-S113 WeakPolarHBondContact O-CB 3.41Å; V109-S113 PolarHBondContact O-N 3.18Å; V109-S113 VanDerWaalsContact O-N 3.07Å; Y110-S113 PolarHBondContact O-N 3.26Å; G111-S113 PolarHBondContact O-N 3.09Å; S113-T117 WeakPolarHBondContact O-CB 3.41Å; S113-T117 PolarHBondContact O-N 2.95Å; S113-T117 PolarHBondContact O-OG1 3.11Å |
| 114 | Y | 96.8 | Very high | 95.9 | Very high | 45 Ų | 45 | 54.1 Ų | 54.1 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63 | -47 | 176.3 | -171.7 | -92.3 | 0 | 0 | 0 | 111.6 | Y110 G111 E112 T117 Q118 L129 K132 L133 | Y110-Y114 HydrophobicContact CE1-CD2 4.33Å; Y110-Y114 VanDerWaalsContact O-CB 3.3Å; Y110-Y114 WeakPolarHBondContact O-CB 3.34Å; Y110-Y114 PolarHBondContact O-N 3.01Å; G111-Y114 WeakPolarHBondContact O-CB 3.46Å; G111-Y114 PolarHBondContact O-N 3.22Å; E112-Y114 VanDerWaalsContact C-N 3.31Å; E112-Y114 PolarHBondContact O-N 2.88Å; Y114-T117 PolarHBondContact O-N 3.29Å; Y114-Q118 HydrophobicContact CD1-CG 4.14Å; Y114-Q118 HydrophobicContact CE1-CG 3.81Å; Y114-Q118 WeakPolarHBondContact O-CG 3.16Å; Y114-Q118 PolarHBondContact O-N 3.32Å; Y114-L129 HydrophobicContact CE1-CD2 4.12Å; Y114-K132 HydrophobicContact CE1-CB 4.46Å; Y114-L133 HydrophobicContact CD1-CD2 3.67Å; Y114-L133 HydrophobicContact CD1-CG 4.31Å; Y114-L133 HydrophobicContact CE1-CD2 4.37Å; Y114-L133 HydrophobicContact CG-CD2 4Å |
| 115 | V | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -50.4 | 178.2 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | G111 E112 T117 Q118 M119 L133 A146 L147 Y150 | G111-V115 WeakPolarHBondContact O-CG2 3.44Å; G111-V115 PolarHBondContact O-N 3.16Å; E112-V115 PolarHBondContact O-N 2.9Å; V115-T117 VanDerWaalsContact C-N 3.26Å; V115-T117 PolarHBondContact O-N 3.03Å; V115-Q118 CarbonylContact O-C 3.54Å; V115-Q118 WeakPolarHBondContact O-CA 3.45Å; V115-Q118 PolarHBondContact O-N 2.75Å; V115-M119 HydrophobicContact CG1-CG 4.35Å; V115-M119 HydrophobicContact CG1-SD 3.85Å; V115-M119 WeakPolarHBondContact O-CG 2.95Å; V115-M119 PolarHBondContact O-N 2.69Å; V115-L133 HydrophobicContact CG2-CD1 4.06Å; V115-A146 HydrophobicContact CG2-CB 4.18Å; V115-L147 HydrophobicContact CG2-CD2 4.11Å; V115-Y150 HydrophobicContact CG1-CD1 4.46Å; V115-Y150 HydrophobicContact CG1-CG 4.39Å |
| 116 | R | 96.2 | Very high | 96.1 | Very high | 133 Ų | 133 | 51 Ų | 51 | 50% | 0.502 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55.4 | -41.3 | 176.4 | -73 | 179.9 | -171.6 | 138.7 | 14.7 | 112.2 | E112 M119 R120 L149 | E112-R116 WeakPolarHBondContact O-CB 3.26Å; E112-R116 WeakPolarHBondContact O-CG 3.41Å; E112-R116 PolarHBondContact O-N 3.45Å; E112-R116 IonicContact OE2-CZ 2.72Å; E112-R116 IonicContact OE2-NH1 3.69Å; E112-R116 IonicContact OE2-NH2 3.51Å; E112-R116 PolarHBondContact OE2-NH2 3.45Å; E112-R116 VanDerWaalsContact OE2-NH2 3.12Å; R116-M119 PolarHBondContact O-N 3.19Å; R116-R120 PolarHBondContact O-N 3.37Å; R116-L149 VanDerWaalsContact NH2-CD1 3.35Å |
| 117 | T | 95.7 | Very high | 96.1 | Very high | 64 Ų | 64 | 56 Ų | 56 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 175.5 | -59.3 | 0 | 0 | 0 | 0 | 111 | S113 Y114 V115 M119 R120 I121 | S113-T117 WeakPolarHBondContact O-CB 3.41Å; S113-T117 PolarHBondContact O-N 2.95Å; S113-T117 PolarHBondContact O-OG1 3.11Å; Y114-T117 PolarHBondContact O-N 3.29Å; V115-T117 VanDerWaalsContact C-N 3.26Å; V115-T117 PolarHBondContact O-N 3.03Å; T117-M119 VanDerWaalsContact C-N 3.33Å; T117-M119 PolarHBondContact O-N 2.86Å; T117-R120 PolarHBondContact O-N 3.32Å; T117-I121 HydrophobicContact CG2-CD1 3.85Å; T117-I121 HydrophobicContact CG2-CG1 3.96Å; T117-I121 WeakPolarHBondContact O-CG1 3.46Å; T117-I121 PolarHBondContact O-N 3.48Å |
| 118 | Q | 93.7 | Very high | 96.1 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.7 | -30.4 | 178.5 | -66.4 | -60.6 | -66.8 | 0 | 0 | 113.2 | Y114 V115 R120 G122 L129 | Y114-Q118 HydrophobicContact CD1-CG 4.14Å; Y114-Q118 HydrophobicContact CE1-CG 3.81Å; Y114-Q118 WeakPolarHBondContact O-CG 3.16Å; Y114-Q118 PolarHBondContact O-N 3.32Å; V115-Q118 CarbonylContact O-C 3.54Å; V115-Q118 WeakPolarHBondContact O-CA 3.45Å; V115-Q118 PolarHBondContact O-N 2.75Å; Q118-R120 VanDerWaalsContact C-N 3.32Å; Q118-G122 CarbonylContact O-C 3.57Å; Q118-G122 WeakPolarHBondContact O-CA 3.47Å; Q118-G122 PolarHBondContact O-N 3.07Å; Q118-L129 HydrophobicContact CB-CD1 4.05Å; Q118-L129 HydrophobicContact CB-CD2 3.76Å; Q118-L129 HydrophobicContact CG-CD2 3.59Å |
| 119 | M | 94.2 | Very high | 96.1 | Very high | 40 Ų | 40 | 55.2 Ų | 55.2 | 20% | 0.197 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 171.6 | -65.4 | 159 | 72.2 | 0 | 0 | 111.6 | V115 R116 T117 L149 Y150 E154 V158 | V115-M119 HydrophobicContact CG1-CG 4.35Å; V115-M119 HydrophobicContact CG1-SD 3.85Å; V115-M119 WeakPolarHBondContact O-CG 2.95Å; V115-M119 PolarHBondContact O-N 2.69Å; R116-M119 PolarHBondContact O-N 3.19Å; T117-M119 VanDerWaalsContact C-N 3.33Å; T117-M119 PolarHBondContact O-N 2.86Å; M119-L149 WeakPolarHBondContact CE-O 3.28Å; M119-Y150 HydrophobicContact CE-CD2 4.13Å; M119-Y150 HydrophobicContact CG-CD1 4.45Å; M119-Y150 HydrophobicContact CG-CD2 3.6Å; M119-Y150 HydrophobicContact CG-CE2 3.67Å; M119-Y150 HydrophobicContact CG-CG 4Å; M119-Y150 HydrophobicContact SD-CD2 4.1Å; M119-Y150 HydrophobicContact SD-CG 4.32Å; M119-E154 HydrophobicContact CE-CB 3.66Å; M119-E154 HydrophobicContact CE-CG 3.57Å; M119-V158 WeakPolarHBondContact O-CG2 3.44Å |
| 120 | R | 92.9 | Very high | 96.2 | Very high | 223 Ų | 223 | 55.6 Ų | 55.6 | 84% | 0.842 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -79.4 | -41.7 | -175.5 | -170.9 | 179.5 | 178.1 | -164.2 | 0.7 | 114 | R116 T117 Q118 | R116-R120 PolarHBondContact O-N 3.37Å; T117-R120 PolarHBondContact O-N 3.32Å; Q118-R120 VanDerWaalsContact C-N 3.32Å |
| 121 | I | 92.9 | Very high | 96.2 | Very high | 133 Ų | 133 | 59.9 Ų | 59.9 | 68% | 0.682 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -124.5 | -7.8 | -171.2 | 61.2 | 161 | 0 | 0 | 0 | 113.9 | T117 | T117-I121 HydrophobicContact CG2-CD1 3.85Å; T117-I121 HydrophobicContact CG2-CG1 3.96Å; T117-I121 WeakPolarHBondContact O-CG1 3.46Å; T117-I121 PolarHBondContact O-N 3.48Å |
| 122 | G | 91.9 | Very high | 96.2 | Very high | 20 Ų | 20 | 63 Ų | 63 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | trans | -91.2 | 179.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q118 | Q118-G122 CarbonylContact O-C 3.57Å; Q118-G122 WeakPolarHBondContact O-CA 3.47Å; Q118-G122 PolarHBondContact O-N 3.07Å | ||
| 123 | D | 95.9 | Very high | 96.2 | Very high | 55 Ų | 55 | 60.8 Ų | 60.8 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | trans | -132.1 | 21.8 | 178.4 | 66.2 | -8.2 | 0 | 0 | 0 | 111.6 | T162 K189 | D123-T162 HydrophobicContact CB-CG2 4.17Å; D123-K189 VanDerWaalsContact CG-NZ 3.33Å; D123-K189 WeakPolarHBondContact O-CB 3.3Å; D123-K189 WeakPolarHBondContact O-CD 3.18Å; D123-K189 IonicContact OD1-NZ 3.51Å; D123-K189 PolarHBondContact OD1-NZ 3.15Å; D123-K189 VanDerWaalsContact OD2-CE 3.3Å; D123-K189 WeakPolarHBondContact OD2-CE 3.3Å; D123-K189 IonicContact OD2-NZ 3.49Å; D123-K189 PolarHBondContact OD2-NZ 2.99Å | ||
| 124 | K | 97.2 | Very high | 96.2 | Very high | 35 Ų | 35 | 63.1 Ų | 63.1 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | trans | -113.2 | 130.9 | -166.8 | -55.4 | -174.2 | -169.6 | 106.8 | 0 | 110.8 | V128 L129 K132 Y150 | K124-V128 HydrophobicContact CB-CB 4.49Å; K124-V128 HydrophobicContact CB-CG1 4.3Å; K124-V128 HydrophobicContact CD-CG1 3.83Å; K124-V128 HydrophobicContact CG-CG1 4.29Å; K124-L129 HydrophobicContact CB-CD2 3.77Å; K124-L129 HydrophobicContact CB-CG 4.13Å; K124-L129 HydrophobicContact CD-CD2 4.09Å; K124-K132 HydrophobicContact CD-CD 3.94Å; K124-K132 VanDerWaalsContact CE-CE 3.46Å; K124-Y150 WeakPolarHBondContact O-CE1 3.37Å; K124-Y150 PolarHBondContact O-OH 3.41Å | ||
| 125 | G | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -83.4 | 172.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R127 V128 L129 K189 G190 F191 | G125-R127 VanDerWaalsContact C-N 3.31Å; G125-R127 PolarHBondContact O-N 3.39Å; G125-R127 VanDerWaalsContact O-N 3.16Å; G125-V128 PolarHBondContact O-N 3.4Å; G125-L129 PolarHBondContact O-N 2.99Å; G125-L129 VanDerWaalsContact O-N 3.15Å; G125-K189 PolarHBondContact N-O 3.43Å; G125-G190 CarbonylContact C-O 3.57Å; G125-F191 VanDerWaalsContact CA-CE1 3.44Å | ||
| 126 | P | 97.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 70 Ų | 70 | 16% | 0.156 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.9 | -37.8 | -169.7 | -26.8 | 32.9 | 0 | 0 | 0 | 114.6 | V128 L129 Q130 L147 Y150 Q155 | P126-V128 PolarHBondContact O-N 3.38Å; P126-L129 PolarHBondContact O-N 3.14Å; P126-Q130 WeakPolarHBondContact O-CB 3.46Å; P126-Q130 PolarHBondContact O-N 3.12Å; P126-L147 HydrophobicContact CB-CD2 4.29Å; P126-Y150 HydrophobicContact CG-CD1 4Å; P126-Y150 HydrophobicContact CG-CE1 4.3Å; P126-Q155 HydrophobicContact CG-CG 3.84Å; P126-Q155 VanDerWaalsContact CG-OE1 3.26Å |
| 127 | R | 97.4 | Very high | 96.3 | Very high | 159 Ų | 159 | 65.1 Ų | 65.1 | 60% | 0.6 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.7 | -41.7 | -177.9 | -68.6 | -179.9 | 175.5 | 169.9 | -1.9 | 112.6 | G125 Q130 Q131 G190 | G125-R127 VanDerWaalsContact C-N 3.31Å; G125-R127 PolarHBondContact O-N 3.39Å; G125-R127 VanDerWaalsContact O-N 3.16Å; R127-Q130 WeakPolarHBondContact O-CB 3.43Å; R127-Q131 PolarHBondContact O-N 2.8Å; R127-Q131 VanDerWaalsContact O-N 3.12Å; R127-G190 WeakPolarHBondContact CB-O 3.32Å; R127-G190 PolarHBondContact N-O 3.43Å |
| 128 | V | 97.9 | Very high | 96.4 | Very high | 29 Ų | 29 | 62.5 Ų | 62.5 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.2 | -37 | 177.9 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | K124 G125 P126 Q131 K132 K189 | K124-V128 HydrophobicContact CB-CB 4.49Å; K124-V128 HydrophobicContact CB-CG1 4.3Å; K124-V128 HydrophobicContact CD-CG1 3.83Å; K124-V128 HydrophobicContact CG-CG1 4.29Å; G125-V128 PolarHBondContact O-N 3.4Å; P126-V128 PolarHBondContact O-N 3.38Å; V128-Q131 PolarHBondContact O-N 2.88Å; V128-K132 HydrophobicContact CG1-CD 4.28Å; V128-K132 WeakPolarHBondContact O-CG 3.47Å; V128-K132 PolarHBondContact O-N 3.15Å; V128-K189 WeakPolarHBondContact CB-O 3.35Å; V128-K189 VanDerWaalsContact CG2-C 3.47Å; V128-K189 VanDerWaalsContact CG2-O 3.29Å; V128-K189 WeakPolarHBondContact CG2-O 3.25Å |
| 129 | L | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63 | -44.4 | 174.2 | -65.1 | -173.6 | 0 | 0 | 0 | 111.6 | Y114 Q118 K124 G125 P126 Q131 K132 L133 L147 Y150 | Y114-L129 HydrophobicContact CE1-CD2 4.12Å; Q118-L129 HydrophobicContact CB-CD1 4.05Å; Q118-L129 HydrophobicContact CB-CD2 3.76Å; Q118-L129 HydrophobicContact CG-CD2 3.59Å; K124-L129 HydrophobicContact CB-CD2 3.77Å; K124-L129 HydrophobicContact CB-CG 4.13Å; K124-L129 HydrophobicContact CD-CD2 4.09Å; G125-L129 PolarHBondContact O-N 2.99Å; G125-L129 VanDerWaalsContact O-N 3.15Å; P126-L129 PolarHBondContact O-N 3.14Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 2.83Å; L129-K132 PolarHBondContact O-N 3.46Å; L129-K132 VanDerWaalsContact O-N 3.15Å; L129-L133 WeakPolarHBondContact O-CG 3.42Å; L129-L133 PolarHBondContact O-N 3.13Å; L129-L147 HydrophobicContact CB-CD2 3.9Å; L129-L147 HydrophobicContact CD1-CD2 4.47Å; L129-Y150 HydrophobicContact CD1-CD1 3.73Å; L129-Y150 HydrophobicContact CD1-CE1 3.67Å |
| 130 | Q | 97.9 | Very high | 96.7 | Very high | 70 Ų | 70 | 67.6 Ų | 67.6 | 33% | 0.327 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -53.4 | -51.1 | 173.5 | -165.8 | -174.1 | 22.9 | 0 | 0 | 111.1 | P126 R127 K132 L133 K134 I143 L147 | P126-Q130 WeakPolarHBondContact O-CB 3.46Å; P126-Q130 PolarHBondContact O-N 3.12Å; R127-Q130 WeakPolarHBondContact O-CB 3.43Å; Q130-K132 VanDerWaalsContact C-N 3.32Å; Q130-K132 PolarHBondContact O-N 3.18Å; Q130-L133 PolarHBondContact O-N 2.98Å; Q130-K134 WeakPolarHBondContact O-CG 3.29Å; Q130-K134 PolarHBondContact O-N 3.46Å; Q130-I143 HydrophobicContact CB-CG2 4.27Å; Q130-I143 HydrophobicContact CG-CG2 3.62Å; Q130-L147 HydrophobicContact CB-CD1 3.78Å; Q130-L147 HydrophobicContact CG-CD1 4.06Å |
| 131 | Q | 97.6 | Very high | 96.9 | Very high | 114 Ų | 114 | 61 Ų | 61 | 53% | 0.533 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 179.4 | -170.9 | -176.7 | 14.4 | 0 | 0 | 112 | R127 V128 L129 K134 Q135 | R127-Q131 PolarHBondContact O-N 2.8Å; R127-Q131 VanDerWaalsContact O-N 3.12Å; V128-Q131 PolarHBondContact O-N 2.88Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 2.83Å; Q131-K134 PolarHBondContact O-N 3.28Å; Q131-Q135 WeakPolarHBondContact O-CG 3.35Å; Q131-Q135 PolarHBondContact O-N 2.88Å |
| 132 | K | 97.5 | Very high | 97.1 | Very high | 66 Ų | 66 | 55.8 Ų | 55.8 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 177.8 | -75.5 | -179 | 176.5 | -114.1 | 0 | 112.3 | Y114 K124 V128 L129 Q130 Q135 K136 | Y114-K132 HydrophobicContact CE1-CB 4.46Å; K124-K132 HydrophobicContact CD-CD 3.94Å; K124-K132 VanDerWaalsContact CE-CE 3.46Å; V128-K132 HydrophobicContact CG1-CD 4.28Å; V128-K132 WeakPolarHBondContact O-CG 3.47Å; V128-K132 PolarHBondContact O-N 3.15Å; L129-K132 PolarHBondContact O-N 3.46Å; L129-K132 VanDerWaalsContact O-N 3.15Å; Q130-K132 VanDerWaalsContact C-N 3.32Å; Q130-K132 PolarHBondContact O-N 3.18Å; K132-Q135 WeakPolarHBondContact O-CB 3.47Å; K132-Q135 PolarHBondContact O-N 3.39Å; K132-K136 WeakPolarHBondContact O-CG 3.33Å; K132-K136 PolarHBondContact O-N 2.95Å |
| 133 | L | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 177 | -66.5 | 172.1 | 0 | 0 | 0 | 111.5 | Y114 V115 L129 Q130 Q135 K136 G137 L138 I143 A146 | Y114-L133 HydrophobicContact CD1-CD2 3.67Å; Y114-L133 HydrophobicContact CD1-CG 4.31Å; Y114-L133 HydrophobicContact CE1-CD2 4.37Å; Y114-L133 HydrophobicContact CG-CD2 4Å; V115-L133 HydrophobicContact CG2-CD1 4.06Å; L129-L133 WeakPolarHBondContact O-CG 3.42Å; L129-L133 PolarHBondContact O-N 3.13Å; Q130-L133 PolarHBondContact O-N 2.98Å; L133-Q135 VanDerWaalsContact C-N 3.34Å; L133-Q135 PolarHBondContact O-N 3.48Å; L133-K136 CarbonylContact O-C 3.49Å; L133-K136 WeakPolarHBondContact O-CA 3.26Å; L133-K136 WeakPolarHBondContact O-CB 3.34Å; L133-K136 PolarHBondContact O-N 2.8Å; L133-K136 VanDerWaalsContact O-N 3.09Å; L133-G137 PolarHBondContact O-N 3.43Å; L133-G137 VanDerWaalsContact O-N 3.1Å; L133-L138 HydrophobicContact CB-CD2 4.33Å; L133-L138 HydrophobicContact CD2-CD1 4.48Å; L133-L138 HydrophobicContact CD2-CD2 4.02Å; L133-L138 PolarHBondContact O-N 2.93Å; L133-I143 HydrophobicContact CB-CD1 3.93Å; L133-I143 HydrophobicContact CB-CG1 3.73Å; L133-I143 HydrophobicContact CB-CG2 4.46Å; L133-I143 HydrophobicContact CD1-CG1 4.39Å; L133-I143 HydrophobicContact CD1-CG2 4.22Å; L133-A146 HydrophobicContact CD1-CB 4.45Å |
| 134 | K | 98 | Very high | 97.5 | Very high | 95 Ų | 95 | 58.4 Ų | 58.4 | 41% | 0.413 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59 | -44.1 | 170.3 | -71 | -169.8 | -177.8 | -149.2 | 0 | 112.1 | Q130 Q131 K136 G137 D140 I143 | Q130-K134 WeakPolarHBondContact O-CG 3.29Å; Q130-K134 PolarHBondContact O-N 3.46Å; Q131-K134 PolarHBondContact O-N 3.28Å; K134-K136 PolarHBondContact O-N 3.32Å; K134-G137 PolarHBondContact O-N 3.27Å; K134-D140 WeakPolarHBondContact CE-OD1 3.49Å; K134-D140 IonicContact NZ-OD1 3.7Å; K134-D140 PolarHBondContact NZ-OD1 2.91Å; K134-D140 IonicContact NZ-OD2 3.53Å; K134-I143 HydrophobicContact CB-CD1 4.28Å; K134-I143 HydrophobicContact CG-CD1 3.42Å; K134-I143 VanDerWaalsContact CG-CD1 3.42Å |
| 135 | Q | 97.6 | Very high | 97.5 | Very high | 119 Ų | 119 | 60.7 Ų | 60.7 | 56% | 0.556 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.2 | -34.5 | 175.7 | -73 | 172.4 | 3 | 0 | 0 | 112.2 | K76 Q131 K132 L133 G137 | K76-Q135 PolarHBondContact NZ-O 2.99Å; Q131-Q135 WeakPolarHBondContact O-CG 3.35Å; Q131-Q135 PolarHBondContact O-N 2.88Å; K132-Q135 WeakPolarHBondContact O-CB 3.47Å; K132-Q135 PolarHBondContact O-N 3.39Å; L133-Q135 VanDerWaalsContact C-N 3.34Å; L133-Q135 PolarHBondContact O-N 3.48Å; Q135-G137 PolarHBondContact O-N 2.97Å |
| 136 | K | 97.2 | Very high | 97.5 | Very high | 69 Ų | 69 | 60.7 Ų | 60.7 | 30% | 0.3 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -74 | -7.1 | 174.1 | -72.7 | -69.2 | -168.8 | 177.2 | 0 | 114.4 | T74 K76 E77 Y110 K132 L133 K134 L138 | T74-K136 HydrophobicContact CG2-CB 4.23Å; T74-K136 PolarHBondContact OG1-O 3.37Å; K76-K136 WeakPolarHBondContact CB-O 3.43Å; E77-K136 IonicContact OE1-NZ 3.25Å; E77-K136 PolarHBondContact OE1-NZ 3.43Å; Y110-K136 WeakPolarHBondContact OH-CE 3.48Å; K132-K136 WeakPolarHBondContact O-CG 3.33Å; K132-K136 PolarHBondContact O-N 2.95Å; L133-K136 CarbonylContact O-C 3.49Å; L133-K136 WeakPolarHBondContact O-CA 3.26Å; L133-K136 WeakPolarHBondContact O-CB 3.34Å; L133-K136 PolarHBondContact O-N 2.8Å; L133-K136 VanDerWaalsContact O-N 3.09Å; K134-K136 PolarHBondContact O-N 3.32Å; K136-L138 HydrophobicContact CB-CD1 3.93Å |
| 137 | G | 97 | Very high | 97.5 | Very high | 31 Ų | 31 | 60.9 Ų | 60.9 | 32% | 0.32 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.7 | 4.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L133 K134 Q135 | L133-G137 PolarHBondContact O-N 3.43Å; L133-G137 VanDerWaalsContact O-N 3.1Å; K134-G137 PolarHBondContact O-N 3.27Å; Q135-G137 PolarHBondContact O-N 2.97Å |
| 138 | L | 98 | Very high | 97.4 | Very high | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | trans | -68.6 | 146.2 | 177.3 | -73.1 | 71.1 | 0 | 0 | 0 | 110.1 | T74 D107 Y110 L133 K136 I143 | T74-L138 HydrophobicContact CG2-CD1 3.6Å; D107-L138 HydrophobicContact CB-CG 4.14Å; D107-L138 VanDerWaalsContact O-CD2 3.26Å; D107-L138 WeakPolarHBondContact O-CD2 3.37Å; Y110-L138 HydrophobicContact CD1-CD1 4.17Å; L133-L138 HydrophobicContact CB-CD2 4.33Å; L133-L138 HydrophobicContact CD2-CD1 4.48Å; L133-L138 HydrophobicContact CD2-CD2 4.02Å; L133-L138 PolarHBondContact O-N 2.93Å; K136-L138 HydrophobicContact CB-CD1 3.93Å; L138-I143 HydrophobicContact CB-CD1 3.97Å; L138-I143 HydrophobicContact CB-CG1 3.63Å; L138-I143 HydrophobicContact CD2-CG1 4.37Å; L138-I143 WeakPolarHBondContact O-CD1 3.3Å | ||
| 139 | N | 96.9 | Very high | 97.1 | Very high | 81 Ų | 81 | 62.9 Ų | 62.9 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | trans | -77.4 | 166.6 | 174.4 | 67.6 | 60.7 | 0 | 0 | 0 | 111.5 | N141 D142 I143 | N139-N141 VanDerWaalsContact C-N 3.3Å; N139-N141 PolarHBondContact O-N 2.98Å; N139-N141 WeakPolarHBondContact OD1-CB 3.4Å; N139-N141 PolarHBondContact OD1-N 3.31Å; N139-D142 PolarHBondContact ND2-OD2 3.15Å; N139-D142 PolarHBondContact O-N 3.12Å; N139-D142 PolarHBondContact OD1-N 3.35Å; N139-I143 WeakPolarHBondContact O-CD1 3.06Å; N139-I143 WeakPolarHBondContact O-CG1 3.14Å; N139-I143 PolarHBondContact O-N 3.5Å; N139-I143 VanDerWaalsContact O-N 3.11Å | ||
| 140 | D | 97.5 | Very high | 97.1 | Very high | 88 Ų | 88 | 63 Ų | 63 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.7 | -32 | -175.4 | -76.7 | -36.2 | 0 | 0 | 0 | 113.7 | K134 Q144 | K134-D140 WeakPolarHBondContact CE-OD1 3.49Å; K134-D140 IonicContact NZ-OD1 3.7Å; K134-D140 PolarHBondContact NZ-OD1 2.91Å; K134-D140 IonicContact NZ-OD2 3.53Å; D140-Q144 WeakPolarHBondContact O-CB 3.36Å; D140-Q144 VanDerWaalsContact O-CG 3.28Å; D140-Q144 WeakPolarHBondContact O-CG 3.3Å; D140-Q144 PolarHBondContact O-N 3.13Å |
| 141 | N | 97.4 | Very high | 96.9 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.9 | -49.7 | 178.9 | 176.4 | 69.3 | 0 | 0 | 0 | 111.4 | N139 I143 Q144 Q145 | N139-N141 VanDerWaalsContact C-N 3.3Å; N139-N141 PolarHBondContact O-N 2.98Å; N139-N141 WeakPolarHBondContact OD1-CB 3.4Å; N139-N141 PolarHBondContact OD1-N 3.31Å; N141-I143 PolarHBondContact O-N 3.31Å; N141-Q144 PolarHBondContact O-N 3.49Å; N141-Q144 VanDerWaalsContact O-N 3.13Å; N141-Q145 PolarHBondContact ND2-NE2 2.91Å; N141-Q145 VanDerWaalsContact ND2-NE2 3.19Å; N141-Q145 WeakPolarHBondContact O-CG 3.5Å; N141-Q145 PolarHBondContact O-N 3Å; N141-Q145 PolarHBondContact OD1-NE2 3.36Å |
| 142 | D | 97.4 | Very high | 96.8 | Very high | 25 Ų | 25 | 62.1 Ų | 62.1 | 13% | 0.134 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.8 | -35 | 179.7 | -61.5 | -15.2 | 0 | 0 | 0 | 110.8 | L108 N139 A146 | L108-D142 HydrophobicContact CB-CB 4.35Å; N139-D142 PolarHBondContact ND2-OD2 3.15Å; N139-D142 PolarHBondContact O-N 3.12Å; N139-D142 PolarHBondContact OD1-N 3.35Å; D142-A146 VanDerWaalsContact O-CB 3.25Å; D142-A146 WeakPolarHBondContact O-CB 3.48Å; D142-A146 PolarHBondContact O-N 2.89Å |
| 143 | I | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 174.7 | -66.4 | 171.2 | 0 | 0 | 0 | 111.4 | Q130 L133 K134 L138 N139 N141 A146 L147 | Q130-I143 HydrophobicContact CB-CG2 4.27Å; Q130-I143 HydrophobicContact CG-CG2 3.62Å; L133-I143 HydrophobicContact CB-CD1 3.93Å; L133-I143 HydrophobicContact CB-CG1 3.73Å; L133-I143 HydrophobicContact CB-CG2 4.46Å; L133-I143 HydrophobicContact CD1-CG1 4.39Å; L133-I143 HydrophobicContact CD1-CG2 4.22Å; K134-I143 HydrophobicContact CB-CD1 4.28Å; K134-I143 HydrophobicContact CG-CD1 3.42Å; K134-I143 VanDerWaalsContact CG-CD1 3.42Å; L138-I143 HydrophobicContact CB-CD1 3.97Å; L138-I143 HydrophobicContact CB-CG1 3.63Å; L138-I143 HydrophobicContact CD2-CG1 4.37Å; L138-I143 WeakPolarHBondContact O-CD1 3.3Å; N139-I143 WeakPolarHBondContact O-CD1 3.06Å; N139-I143 WeakPolarHBondContact O-CG1 3.14Å; N139-I143 PolarHBondContact O-N 3.5Å; N139-I143 VanDerWaalsContact O-N 3.11Å; N141-I143 PolarHBondContact O-N 3.31Å; I143-A146 PolarHBondContact O-N 2.71Å; I143-L147 HydrophobicContact CG2-CD1 3.74Å; I143-L147 HydrophobicContact CG2-CG 4.29Å; I143-L147 WeakPolarHBondContact O-CB 3.25Å; I143-L147 VanDerWaalsContact O-CG 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.37Å; I143-L147 PolarHBondContact O-N 2.91Å |
| 144 | Q | 97.1 | Very high | 96.6 | Very high | 129 Ų | 129 | 68.1 Ų | 68.1 | 60% | 0.603 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 177.1 | -79.2 | 177.6 | -12.2 | 0 | 0 | 111.3 | D140 N141 L147 Y148 | D140-Q144 WeakPolarHBondContact O-CB 3.36Å; D140-Q144 VanDerWaalsContact O-CG 3.28Å; D140-Q144 WeakPolarHBondContact O-CG 3.3Å; D140-Q144 PolarHBondContact O-N 3.13Å; N141-Q144 PolarHBondContact O-N 3.49Å; N141-Q144 VanDerWaalsContact O-N 3.13Å; Q144-L147 PolarHBondContact O-N 3.2Å; Q144-Y148 PolarHBondContact O-N 3.19Å |
| 145 | Q | 97.1 | Very high | 96.6 | Very high | 83 Ų | 83 | 65.1 Ų | 65.1 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 177.3 | -68.4 | -177.7 | 10.7 | 0 | 0 | 111.9 | L108 N141 L147 Y148 | L108-Q145 HydrophobicContact CD1-CB 3.51Å; N141-Q145 PolarHBondContact ND2-NE2 2.91Å; N141-Q145 VanDerWaalsContact ND2-NE2 3.19Å; N141-Q145 WeakPolarHBondContact O-CG 3.5Å; N141-Q145 PolarHBondContact O-N 3Å; N141-Q145 PolarHBondContact OD1-NE2 3.36Å; Q145-L147 VanDerWaalsContact C-N 3.34Å; Q145-L147 PolarHBondContact O-N 3.13Å; Q145-Y148 VanDerWaalsContact O-CB 3.25Å; Q145-Y148 WeakPolarHBondContact O-CB 3.37Å; Q145-Y148 PolarHBondContact O-N 2.98Å |
| 146 | A | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G111 E112 V115 L133 D142 I143 Y148 L149 | G111-A146 VanDerWaalsContact C-CB 3.46Å; E112-A146 HydrophobicContact CG-CB 4.45Å; V115-A146 HydrophobicContact CG2-CB 4.18Å; L133-A146 HydrophobicContact CD1-CB 4.45Å; D142-A146 VanDerWaalsContact O-CB 3.25Å; D142-A146 WeakPolarHBondContact O-CB 3.48Å; D142-A146 PolarHBondContact O-N 2.89Å; I143-A146 PolarHBondContact O-N 2.71Å; A146-Y148 VanDerWaalsContact C-N 3.3Å; A146-L149 PolarHBondContact O-N 3.07Å |
| 147 | L | 96.8 | Very high | 96.5 | Very high | 28 Ų | 28 | 63.3 Ų | 63.3 | 15% | 0.147 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -74.9 | -18.5 | 177.7 | -71.2 | 173.9 | 0 | 0 | 0 | 113.3 | V115 P126 L129 Q130 I143 Q144 Q145 L149 Y150 | V115-L147 HydrophobicContact CG2-CD2 4.11Å; P126-L147 HydrophobicContact CB-CD2 4.29Å; L129-L147 HydrophobicContact CB-CD2 3.9Å; L129-L147 HydrophobicContact CD1-CD2 4.47Å; Q130-L147 HydrophobicContact CB-CD1 3.78Å; Q130-L147 HydrophobicContact CG-CD1 4.06Å; I143-L147 HydrophobicContact CG2-CD1 3.74Å; I143-L147 HydrophobicContact CG2-CG 4.29Å; I143-L147 WeakPolarHBondContact O-CB 3.25Å; I143-L147 VanDerWaalsContact O-CG 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.37Å; I143-L147 PolarHBondContact O-N 2.91Å; Q144-L147 PolarHBondContact O-N 3.2Å; Q145-L147 VanDerWaalsContact C-N 3.34Å; Q145-L147 PolarHBondContact O-N 3.13Å; L147-L149 PolarHBondContact O-N 2.78Å; L147-Y150 PolarHBondContact O-N 3.16Å |
| 148 | Y | 95.3 | Very high | 96.5 | Very high | 182 Ų | 182 | 62.5 Ų | 62.5 | 71% | 0.714 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.4 | -30.8 | 173.5 | -171.5 | -94.9 | 0 | 0 | 0 | 111.8 | Q144 Q145 A146 Y150 | Q144-Y148 PolarHBondContact O-N 3.19Å; Q145-Y148 VanDerWaalsContact O-CB 3.25Å; Q145-Y148 WeakPolarHBondContact O-CB 3.37Å; Q145-Y148 PolarHBondContact O-N 2.98Å; A146-Y148 VanDerWaalsContact C-N 3.3Å; Y148-Y150 PolarHBondContact O-N 3Å |
| 149 | L | 93.2 | Very high | 96.5 | Very high | 49 Ų | 49 | 62.1 Ų | 62.1 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -12 | 174.5 | -60.3 | 178.7 | 0 | 0 | 0 | 114.2 | E112 R116 M119 A146 L147 E151 | E112-L149 HydrophobicContact CB-CD1 3.62Å; E112-L149 HydrophobicContact CG-CD1 3.52Å; R116-L149 VanDerWaalsContact NH2-CD1 3.35Å; M119-L149 WeakPolarHBondContact CE-O 3.28Å; A146-L149 PolarHBondContact O-N 3.07Å; L147-L149 PolarHBondContact O-N 2.78Å; L149-E151 PolarHBondContact O-N 3.36Å |
| 150 | Y | 96.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -99.3 | 73.4 | 179.9 | -163 | -176.7 | 0 | 0 | 0 | 109.2 | V115 M119 K124 P126 L129 L147 Y148 E154 Q155 V158 | V115-Y150 HydrophobicContact CG1-CD1 4.46Å; V115-Y150 HydrophobicContact CG1-CG 4.39Å; M119-Y150 HydrophobicContact CE-CD2 4.13Å; M119-Y150 HydrophobicContact CG-CD1 4.45Å; M119-Y150 HydrophobicContact CG-CD2 3.6Å; M119-Y150 HydrophobicContact CG-CE2 3.67Å; M119-Y150 HydrophobicContact CG-CG 4Å; M119-Y150 HydrophobicContact SD-CD2 4.1Å; M119-Y150 HydrophobicContact SD-CG 4.32Å; K124-Y150 WeakPolarHBondContact O-CE1 3.37Å; K124-Y150 PolarHBondContact O-OH 3.41Å; P126-Y150 HydrophobicContact CG-CD1 4Å; P126-Y150 HydrophobicContact CG-CE1 4.3Å; L129-Y150 HydrophobicContact CD1-CD1 3.73Å; L129-Y150 HydrophobicContact CD1-CE1 3.67Å; L147-Y150 PolarHBondContact O-N 3.16Å; Y148-Y150 PolarHBondContact O-N 3Å; Y150-E154 HydrophobicContact CD2-CB 3.94Å; Y150-E154 HydrophobicContact CE2-CB 3.98Å; Y150-Q155 HydrophobicContact CD1-CG 4.11Å; Y150-Q155 HydrophobicContact CD2-CB 4.42Å; Y150-Q155 HydrophobicContact CD2-CG 3.54Å; Y150-Q155 HydrophobicContact CE1-CG 4.12Å; Y150-Q155 VanDerWaalsContact CE2-CA 3.43Å; Y150-Q155 HydrophobicContact CE2-CB 4.1Å; Y150-Q155 HydrophobicContact CE2-CG 3.58Å; Y150-Q155 VanDerWaalsContact CE2-N 3.33Å; Y150-Q155 HydrophobicContact CG-CG 3.85Å; Y150-Q155 PolarHBondContact O-NE2 3.31Å; Y150-V158 HydrophobicContact CE2-CG2 4.24Å; Y150-V158 VanDerWaalsContact OH-CB 3.26Å; Y150-V158 WeakPolarHBondContact OH-CB 3.46Å; Y150-V158 WeakPolarHBondContact OH-CG1 3.44Å; Y150-V158 WeakPolarHBondContact OH-CG2 3.32Å |
| 151 | E | 94.9 | Very high | 96.5 | Very high | 110 Ų | 110 | 60.6 Ų | 60.6 | 51% | 0.514 | 30% | 0.298 | S | S | . | . | trans | -68.1 | 171.3 | -174.5 | -37.7 | -172 | 158.7 | 0 | 0 | 111.9 | L149 D153 E154 Q155 | L149-E151 PolarHBondContact O-N 3.36Å; E151-D153 PolarHBondContact O-N 2.63Å; E151-E154 VanDerWaalsContact CA-OE2 3.31Å; E151-E154 WeakPolarHBondContact CA-OE2 3.42Å; E151-E154 WeakPolarHBondContact CB-OE2 3.48Å; E151-E154 PolarHBondContact N-OE2 3.48Å; E151-E154 PolarHBondContact O-N 2.86Å; E151-Q155 WeakPolarHBondContact O-CB 3.42Å; E151-Q155 VanDerWaalsContact O-CG 3.26Å; E151-Q155 WeakPolarHBondContact O-CG 3.26Å; E151-Q155 PolarHBondContact O-N 3.04Å | ||
| 152 | A | 94.8 | Very high | 96.4 | Very high | 56 Ų | 56 | 57.3 Ų | 57.3 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -36.3 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q155 F156 I195 | A152-Q155 PolarHBondContact O-N 3.19Å; A152-F156 WeakPolarHBondContact O-CB 3.42Å; A152-F156 PolarHBondContact O-N 3.17Å; A152-I195 HydrophobicContact CB-CD1 4.45Å |
| 153 | D | 95.3 | Very high | 96.4 | Very high | 122 Ų | 122 | 56.1 Ų | 56.1 | 65% | 0.652 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -70 | -43.6 | -178.4 | -71.4 | -8 | 0 | 0 | 0 | 111.2 | E151 F156 Q157 | E151-D153 PolarHBondContact O-N 2.63Å; D153-F156 WeakPolarHBondContact O-CB 3.33Å; D153-F156 PolarHBondContact O-N 3.44Å; D153-Q157 WeakPolarHBondContact O-CG 3.35Å; D153-Q157 PolarHBondContact O-N 2.87Å |
| 154 | E | 95.6 | Very high | 96.2 | Very high | 69 Ų | 69 | 62.1 Ų | 62.1 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.1 | -36.4 | 175.4 | -59.3 | 87.8 | 170.4 | 0 | 0 | 111.5 | M119 Y150 E151 F156 Q157 V158 | M119-E154 HydrophobicContact CE-CB 3.66Å; M119-E154 HydrophobicContact CE-CG 3.57Å; Y150-E154 HydrophobicContact CD2-CB 3.94Å; Y150-E154 HydrophobicContact CE2-CB 3.98Å; E151-E154 VanDerWaalsContact CA-OE2 3.31Å; E151-E154 WeakPolarHBondContact CA-OE2 3.42Å; E151-E154 WeakPolarHBondContact CB-OE2 3.48Å; E151-E154 PolarHBondContact N-OE2 3.48Å; E151-E154 PolarHBondContact O-N 2.86Å; E154-F156 VanDerWaalsContact C-N 3.27Å; E154-F156 PolarHBondContact O-N 3.37Å; E154-Q157 PolarHBondContact O-N 3.25Å; E154-V158 WeakPolarHBondContact O-CG2 3.35Å; E154-V158 PolarHBondContact O-N 3.12Å |
| 155 | Q | 97.2 | Very high | 96.1 | Very high | 32 Ų | 32 | 62.6 Ų | 62.6 | 15% | 0.15 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.1 | -45 | 172.8 | -73.8 | 178.2 | 50.4 | 0 | 0 | 110.8 | P126 Y150 E151 A152 A159 F191 I195 | P126-Q155 HydrophobicContact CG-CG 3.84Å; P126-Q155 VanDerWaalsContact CG-OE1 3.26Å; Y150-Q155 HydrophobicContact CD1-CG 4.11Å; Y150-Q155 HydrophobicContact CD2-CB 4.42Å; Y150-Q155 HydrophobicContact CD2-CG 3.54Å; Y150-Q155 HydrophobicContact CE1-CG 4.12Å; Y150-Q155 VanDerWaalsContact CE2-CA 3.43Å; Y150-Q155 HydrophobicContact CE2-CB 4.1Å; Y150-Q155 HydrophobicContact CE2-CG 3.58Å; Y150-Q155 VanDerWaalsContact CE2-N 3.33Å; Y150-Q155 HydrophobicContact CG-CG 3.85Å; Y150-Q155 PolarHBondContact O-NE2 3.31Å; E151-Q155 WeakPolarHBondContact O-CB 3.42Å; E151-Q155 VanDerWaalsContact O-CG 3.26Å; E151-Q155 WeakPolarHBondContact O-CG 3.26Å; E151-Q155 PolarHBondContact O-N 3.04Å; A152-Q155 PolarHBondContact O-N 3.19Å; Q155-A159 WeakPolarHBondContact O-CB 3.42Å; Q155-A159 PolarHBondContact O-N 3.4Å; Q155-F191 WeakPolarHBondContact O-CE1 3.17Å; Q155-I195 HydrophobicContact CB-CD1 4.25Å; Q155-I195 HydrophobicContact CB-CG1 4.36Å; Q155-I195 HydrophobicContact CB-CG2 4.5Å |
| 156 | F | 97.5 | Very high | 96 | Very high | 23 Ų | 23 | 59.1 Ų | 59.1 | 10% | 0.101 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59 | -49.5 | 175.6 | -179.1 | -85.6 | 0 | 0 | 0 | 111.4 | A152 D153 E154 V158 A159 A160 N198 V199 E202 | A152-F156 WeakPolarHBondContact O-CB 3.42Å; A152-F156 PolarHBondContact O-N 3.17Å; D153-F156 WeakPolarHBondContact O-CB 3.33Å; D153-F156 PolarHBondContact O-N 3.44Å; E154-F156 VanDerWaalsContact C-N 3.27Å; E154-F156 PolarHBondContact O-N 3.37Å; F156-V158 PolarHBondContact O-N 3.13Å; F156-A159 PolarHBondContact O-N 3.43Å; F156-A160 HydrophobicContact CD1-CB 4.48Å; F156-A160 HydrophobicContact CE1-CB 4.1Å; F156-A160 HydrophobicContact CZ-CB 4.49Å; F156-A160 VanDerWaalsContact O-CB 3.27Å; F156-A160 WeakPolarHBondContact O-CB 3.34Å; F156-A160 PolarHBondContact O-N 2.75Å; F156-N198 HydrophobicContact CD2-CB 4.1Å; F156-N198 HydrophobicContact CE2-CB 3.93Å; F156-V199 HydrophobicContact CD2-CG2 3.61Å; F156-V199 HydrophobicContact CE2-CB 4.2Å; F156-V199 HydrophobicContact CE2-CG2 3.56Å; F156-V199 HydrophobicContact CG-CG2 4.25Å; F156-V199 HydrophobicContact CZ-CG2 4.11Å; F156-E202 VanDerWaalsContact CE1-OE2 3.26Å; F156-E202 WeakPolarHBondContact CE1-OE2 3.46Å; F156-E202 HydrophobicContact CZ-CB 4.04Å; F156-E202 HydrophobicContact CZ-CG 3.95Å; F156-E202 WeakPolarHBondContact CZ-OE2 3.09Å |
| 157 | Q | 96.4 | Very high | 95.8 | Very high | 127 Ų | 127 | 60.1 Ų | 60.1 | 59% | 0.593 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.1 | -44.7 | -178.7 | -67.6 | -54.8 | -32.1 | 0 | 0 | 112.8 | D153 E154 A160 H161 | D153-Q157 WeakPolarHBondContact O-CG 3.35Å; D153-Q157 PolarHBondContact O-N 2.87Å; E154-Q157 PolarHBondContact O-N 3.25Å; Q157-A160 PolarHBondContact O-N 3.17Å; Q157-H161 WeakPolarHBondContact O-CB 3.37Å; Q157-H161 PolarHBondContact O-N 3.28Å |
| 158 | V | 97.2 | Very high | 95.5 | Very high | 15 Ų | 15 | 68.2 Ų | 68.2 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 178 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | M119 Y150 E154 F156 T162 F191 | M119-V158 WeakPolarHBondContact O-CG2 3.44Å; Y150-V158 HydrophobicContact CE2-CG2 4.24Å; Y150-V158 VanDerWaalsContact OH-CB 3.26Å; Y150-V158 WeakPolarHBondContact OH-CB 3.46Å; Y150-V158 WeakPolarHBondContact OH-CG1 3.44Å; Y150-V158 WeakPolarHBondContact OH-CG2 3.32Å; E154-V158 WeakPolarHBondContact O-CG2 3.35Å; E154-V158 PolarHBondContact O-N 3.12Å; F156-V158 PolarHBondContact O-N 3.13Å; V158-T162 WeakPolarHBondContact O-CB 3.38Å; V158-T162 PolarHBondContact O-N 3.04Å; V158-T162 PolarHBondContact O-OG1 3.07Å; V158-F191 HydrophobicContact CB-CZ 4.28Å; V158-F191 HydrophobicContact CG1-CZ 3.92Å |
| 159 | A | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q155 F156 T162 A163 L186 F191 I195 V199 | Q155-A159 WeakPolarHBondContact O-CB 3.42Å; Q155-A159 PolarHBondContact O-N 3.4Å; F156-A159 PolarHBondContact O-N 3.43Å; A159-T162 PolarHBondContact O-N 3.15Å; A159-A163 WeakPolarHBondContact O-CB 3.43Å; A159-A163 PolarHBondContact O-N 2.75Å; A159-L186 HydrophobicContact CB-CD2 4Å; A159-F191 HydrophobicContact CB-CD1 3.79Å; A159-F191 HydrophobicContact CB-CD2 4.06Å; A159-F191 HydrophobicContact CB-CE1 3.74Å; A159-F191 HydrophobicContact CB-CE2 4.03Å; A159-F191 HydrophobicContact CB-CG 3.96Å; A159-F191 HydrophobicContact CB-CZ 3.87Å; A159-I195 HydrophobicContact CB-CG2 3.9Å; A159-V199 HydrophobicContact CB-CG2 3.71Å |
| 160 | A | 97.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 67.4 Ų | 67.4 | 7% | 0.074 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F156 Q157 T162 A163 K164 V199 | F156-A160 HydrophobicContact CD1-CB 4.48Å; F156-A160 HydrophobicContact CE1-CB 4.1Å; F156-A160 HydrophobicContact CZ-CB 4.49Å; F156-A160 VanDerWaalsContact O-CB 3.27Å; F156-A160 WeakPolarHBondContact O-CB 3.34Å; F156-A160 PolarHBondContact O-N 2.75Å; Q157-A160 PolarHBondContact O-N 3.17Å; A160-T162 VanDerWaalsContact C-N 3.34Å; A160-T162 PolarHBondContact O-N 3.24Å; A160-A163 PolarHBondContact O-N 3.06Å; A160-K164 WeakPolarHBondContact O-CB 3.26Å; A160-K164 VanDerWaalsContact O-CG 3.32Å; A160-K164 WeakPolarHBondContact O-CG 3.49Å; A160-K164 PolarHBondContact O-N 2.89Å; A160-V199 HydrophobicContact CB-CG1 4.28Å; A160-V199 HydrophobicContact CB-CG2 4.32Å |
| 161 | H | 96.2 | Very high | 94 | Very high | 129 Ų | 129 | 70.2 Ų | 70.2 | 60% | 0.597 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.1 | -44 | 175 | -174.5 | 77.6 | 0 | 0 | 0 | 111.8 | Q157 A163 K164 K165 | Q157-H161 WeakPolarHBondContact O-CB 3.37Å; Q157-H161 PolarHBondContact O-N 3.28Å; H161-A163 PolarHBondContact O-N 3.13Å; H161-K164 PolarHBondContact O-N 2.78Å; H161-K165 WeakPolarHBondContact O-CB 3.36Å; H161-K165 PolarHBondContact O-N 3.46Å |
| 162 | T | 96.5 | Very high | 93.7 | Very high | 14 Ų | 14 | 70.3 Ų | 70.3 | 9% | 0.086 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | D123 V158 A159 A160 K165 A166 L185 L186 | D123-T162 HydrophobicContact CB-CG2 4.17Å; V158-T162 WeakPolarHBondContact O-CB 3.38Å; V158-T162 PolarHBondContact O-N 3.04Å; V158-T162 PolarHBondContact O-OG1 3.07Å; A159-T162 PolarHBondContact O-N 3.15Å; A160-T162 VanDerWaalsContact C-N 3.34Å; A160-T162 PolarHBondContact O-N 3.24Å; T162-K165 PolarHBondContact O-N 3.15Å; T162-A166 PolarHBondContact O-N 3.38Å; T162-A166 VanDerWaalsContact O-N 3.09Å; T162-L185 HydrophobicContact CG2-CD2 4.42Å; T162-L186 HydrophobicContact CG2-CD2 4.38Å |
| 163 | A | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66 | -48 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A159 A160 H161 K165 A166 M167 I182 L186 V199 L203 | A159-A163 WeakPolarHBondContact O-CB 3.43Å; A159-A163 PolarHBondContact O-N 2.75Å; A160-A163 PolarHBondContact O-N 3.06Å; H161-A163 PolarHBondContact O-N 3.13Å; A163-K165 VanDerWaalsContact C-N 3.28Å; A163-K165 PolarHBondContact O-N 3.48Å; A163-A166 CarbonylContact O-C 3.54Å; A163-A166 WeakPolarHBondContact O-CA 3.38Å; A163-A166 WeakPolarHBondContact O-CB 3.47Å; A163-A166 PolarHBondContact O-N 3Å; A163-M167 WeakPolarHBondContact O-CG 3.42Å; A163-M167 PolarHBondContact O-N 3.34Å; A163-I182 HydrophobicContact CB-CG2 3.64Å; A163-L186 HydrophobicContact CB-CD1 4.46Å; A163-V199 HydrophobicContact CB-CG1 3.84Å; A163-L203 HydrophobicContact CB-CD1 3.68Å; A163-L203 HydrophobicContact CB-CD2 4.43Å |
| 164 | K | 95 | Very high | 93.5 | Very high | 126 Ų | 126 | 62.3 Ų | 62.3 | 55% | 0.548 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.8 | -42.3 | 175.8 | -74.6 | 177 | 179.9 | 178.6 | 0 | 111.9 | A160 H161 A166 M167 L203 | A160-K164 WeakPolarHBondContact O-CB 3.26Å; A160-K164 VanDerWaalsContact O-CG 3.32Å; A160-K164 WeakPolarHBondContact O-CG 3.49Å; A160-K164 PolarHBondContact O-N 2.89Å; H161-K164 PolarHBondContact O-N 2.78Å; K164-A166 VanDerWaalsContact C-N 3.31Å; K164-A166 PolarHBondContact O-N 2.87Å; K164-M167 PolarHBondContact O-N 3.39Å; K164-L203 HydrophobicContact CD-CD2 4.45Å; K164-L203 HydrophobicContact CG-CD2 3.56Å |
| 165 | K | 94.3 | Very high | 93.4 | Very high | 139 Ų | 139 | 59.5 Ų | 59.5 | 60% | 0.604 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.3 | -33.9 | 175.3 | -175.9 | 174.4 | -179.2 | 176.3 | 0 | 112.6 | H161 T162 A163 | H161-K165 WeakPolarHBondContact O-CB 3.36Å; H161-K165 PolarHBondContact O-N 3.46Å; T162-K165 PolarHBondContact O-N 3.15Å; A163-K165 VanDerWaalsContact C-N 3.28Å; A163-K165 PolarHBondContact O-N 3.48Å |
| 166 | A | 94.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74.9 | -36.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | T162 A163 K164 R168 K169 F170 L185 | T162-A166 PolarHBondContact O-N 3.38Å; T162-A166 VanDerWaalsContact O-N 3.09Å; A163-A166 CarbonylContact O-C 3.54Å; A163-A166 WeakPolarHBondContact O-CA 3.38Å; A163-A166 WeakPolarHBondContact O-CB 3.47Å; A163-A166 PolarHBondContact O-N 3Å; K164-A166 VanDerWaalsContact C-N 3.31Å; K164-A166 PolarHBondContact O-N 2.87Å; A166-R168 VanDerWaalsContact C-N 3.25Å; A166-R168 PolarHBondContact O-N 3.19Å; A166-K169 WeakPolarHBondContact O-CB 3.32Å; A166-K169 PolarHBondContact O-N 3.45Å; A166-F170 HydrophobicContact CB-CE2 4.34Å; A166-F170 VanDerWaalsContact O-CD2 3.23Å; A166-F170 WeakPolarHBondContact O-CD2 3.38Å; A166-F170 WeakPolarHBondContact O-CE2 3.35Å; A166-L185 HydrophobicContact CB-CD2 3.46Å; A166-L185 VanDerWaalsContact CB-CD2 3.46Å |
| 167 | M | 93.3 | Very high | 93.1 | Very high | 21 Ų | 21 | 64.4 Ų | 64.4 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.6 | -41.3 | 179.1 | -74.6 | 173.7 | 78.4 | 0 | 0 | 112.8 | A163 K164 K169 F170 V178 I182 L203 D204 F205 I208 | A163-M167 WeakPolarHBondContact O-CG 3.42Å; A163-M167 PolarHBondContact O-N 3.34Å; K164-M167 PolarHBondContact O-N 3.39Å; M167-K169 PolarHBondContact O-N 2.77Å; M167-F170 PolarHBondContact O-N 3.27Å; M167-V178 HydrophobicContact CG-CG1 4.47Å; M167-I182 HydrophobicContact CG-CD1 3.29Å; M167-I182 HydrophobicContact SD-CD1 4.16Å; M167-L203 HydrophobicContact CE-CB 4.44Å; M167-L203 HydrophobicContact SD-CB 4.11Å; M167-L203 HydrophobicContact SD-CD1 3.82Å; M167-L203 HydrophobicContact SD-CD2 3.8Å; M167-L203 HydrophobicContact SD-CG 4.1Å; M167-D204 WeakPolarHBondContact CE-O 3.37Å; M167-F205 HydrophobicContact CE-CD1 3.78Å; M167-F205 HydrophobicContact CE-CE1 3.8Å; M167-F205 HydrophobicContact CE-CG 4.31Å; M167-F205 HydrophobicContact CE-CZ 4.36Å; M167-I208 HydrophobicContact CE-CD1 3.97Å |
| 168 | R | 90.1 | Very high | 93 | Very high | 197 Ų | 197 | 58.4 Ų | 58.4 | 74% | 0.743 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -10.8 | 177.2 | -61.9 | -178.5 | -177.6 | 179.5 | -1.1 | 114.9 | A166 H171 | A166-R168 VanDerWaalsContact C-N 3.25Å; A166-R168 PolarHBondContact O-N 3.19Å; R168-H171 PolarHBondContact O-CD2 2.87Å; R168-H171 PolarHBondContact O-NE2 3.14Å |
| 169 | K | 89.3 | Confident | 92.9 | Very high | 163 Ų | 163 | 61.2 Ų | 61.2 | 71% | 0.709 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -8.7 | 177.9 | -59.4 | -176.5 | 178.8 | -177.2 | 0 | 112.9 | A166 M167 | A166-K169 WeakPolarHBondContact O-CB 3.32Å; A166-K169 PolarHBondContact O-N 3.45Å; M167-K169 PolarHBondContact O-N 2.77Å |
| 170 | F | 86 | Confident | 92.7 | Very high | 51 Ų | 51 | 67.1 Ų | 67.1 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | trans | -119.7 | 32.4 | -166.7 | -57.4 | -58.9 | 0 | 0 | 0 | 114.4 | A166 M167 H172 S173 V178 K181 | A166-F170 HydrophobicContact CB-CE2 4.34Å; A166-F170 VanDerWaalsContact O-CD2 3.23Å; A166-F170 WeakPolarHBondContact O-CD2 3.38Å; A166-F170 WeakPolarHBondContact O-CE2 3.35Å; M167-F170 PolarHBondContact O-N 3.27Å; F170-H172 PolarHBondContact O-N 2.97Å; F170-H172 VanDerWaalsContact O-N 3.11Å; F170-S173 PolarHBondContact O-N 2.76Å; F170-V178 HydrophobicContact CB-CG1 4.23Å; F170-V178 HydrophobicContact CB-CG2 3.63Å; F170-V178 HydrophobicContact CD2-CG1 4.26Å; F170-V178 HydrophobicContact CG-CG2 4.5Å; F170-K181 HydrophobicContact CD1-CD 3.93Å; F170-K181 HydrophobicContact CE1-CD 3.63Å; F170-K181 HydrophobicContact CE2-CB 4.26Å; F170-K181 HydrophobicContact CZ-CB 4.17Å; F170-K181 HydrophobicContact CZ-CD 3.95Å | ||
| 171 | H | 79.6 | Confident | 92.7 | Very high | 62 Ų | 62 | 69.4 Ų | 69.4 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.8 | 177.9 | -64.7 | -77.5 | 0 | 0 | 0 | 115.4 | R168 E207 Q211 | R168-H171 PolarHBondContact O-CD2 2.87Å; R168-H171 PolarHBondContact O-NE2 3.14Å; H171-E207 IonicContact CE1-OE1 2.67Å; H171-E207 IonicContact ND1-OE1 3.29Å; H171-Q211 PolarHBondContact ND1-OE1 3.37Å |
| 172 | H | 87.2 | Confident | 92.7 | Very high | 112 Ų | 112 | 63.3 Ų | 63.3 | 52% | 0.519 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 29.4 | 179.6 | -56 | -48.4 | 0 | 0 | 0 | 113 | F170 L218 Q219 | F170-H172 PolarHBondContact O-N 2.97Å; F170-H172 VanDerWaalsContact O-N 3.11Å; H172-L218 HydrophobicContact CB-CD2 4.15Å; H172-Q219 PolarHBondContact O-NE2 3.05Å |
| 173 | S | 92.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 65.6 Ų | 65.6 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -127.5 | 150.7 | -180 | -89.8 | 0 | 0 | 0 | 0 | 109.5 | F170 E177 K181 | F170-S173 PolarHBondContact O-N 2.76Å; S173-E177 VanDerWaalsContact CB-OE2 3.3Å; S173-E177 WeakPolarHBondContact CB-OE2 3.26Å; S173-E177 VanDerWaalsContact OG-CD 3.24Å; S173-E177 PolarHBondContact OG-OE2 3.04Å; S173-K181 PolarHBondContact OG-NZ 2.9Å; S173-K181 VanDerWaalsContact OG-NZ 3.16Å |
| 174 | S | 93.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -67.1 | 153 | 174.8 | 94.4 | 0 | 0 | 0 | 0 | 111.2 | R176 E177 V178 E212 K246 G247 | S174-R176 PolarHBondContact O-N 3.09Å; S174-R176 VanDerWaalsContact O-N 3.16Å; S174-R176 PolarHBondContact OG-N 3.42Å; S174-E177 WeakPolarHBondContact O-CA 3.28Å; S174-E177 PolarHBondContact O-N 3.14Å; S174-E177 PolarHBondContact OG-N 3.01Å; S174-V178 WeakPolarHBondContact O-CG2 3.48Å; S174-V178 PolarHBondContact O-N 3.4Å; S174-E212 WeakPolarHBondContact CB-OE1 3.29Å; S174-K246 PolarHBondContact OG-O 2.71Å; S174-G247 WeakPolarHBondContact OG-CA 3.49Å; S174-G247 PolarHBondContact OG-O 3.38Å | ||
| 175 | P | 93 | Very high | 92.8 | Very high | 10 Ų | 10 | 68 Ų | 68 | 7% | 0.065 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -51 | -41.9 | 176.8 | -26.2 | 32.7 | 0 | 0 | 0 | 112.6 | E177 V178 Q179 I208 E209 E212 | P175-E177 PolarHBondContact O-N 3.03Å; P175-V178 PolarHBondContact O-N 3.17Å; P175-Q179 WeakPolarHBondContact O-CB 3.36Å; P175-Q179 WeakPolarHBondContact O-CG 3.48Å; P175-Q179 PolarHBondContact O-N 3.03Å; P175-I208 HydrophobicContact CG-CG2 4.15Å; P175-E209 HydrophobicContact CB-CG 4.14Å; P175-E209 HydrophobicContact CG-CB 4.39Å; P175-E209 HydrophobicContact CG-CG 3.57Å; P175-E212 WeakPolarHBondContact CD-OE1 3.33Å |
| 176 | R | 93.4 | Very high | 92.9 | Very high | 139 Ų | 139 | 61.4 Ų | 61.4 | 53% | 0.525 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 176.9 | -67.5 | -177.3 | 178.6 | 166.6 | 1.5 | 112.6 | S174 R180 | S174-R176 PolarHBondContact O-N 3.09Å; S174-R176 VanDerWaalsContact O-N 3.16Å; S174-R176 PolarHBondContact OG-N 3.42Å; R176-R180 WeakPolarHBondContact O-CB 3.43Å; R176-R180 PolarHBondContact O-N 3.17Å; R176-R180 VanDerWaalsContact O-N 3.07Å |
| 177 | E | 94.9 | Very high | 93.1 | Very high | 19 Ų | 19 | 65.7 Ų | 65.7 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 175.3 | 174.6 | 177.1 | -153.6 | 0 | 0 | 111.7 | S173 S174 P175 R180 K181 K246 | S173-E177 VanDerWaalsContact CB-OE2 3.3Å; S173-E177 WeakPolarHBondContact CB-OE2 3.26Å; S173-E177 VanDerWaalsContact OG-CD 3.24Å; S173-E177 PolarHBondContact OG-OE2 3.04Å; S174-E177 WeakPolarHBondContact O-CA 3.28Å; S174-E177 PolarHBondContact O-N 3.14Å; S174-E177 PolarHBondContact OG-N 3.01Å; P175-E177 PolarHBondContact O-N 3.03Å; E177-R180 PolarHBondContact O-N 3.49Å; E177-K181 HydrophobicContact CG-CD 4.02Å; E177-K181 HydrophobicContact CG-CG 4.41Å; E177-K181 WeakPolarHBondContact O-CB 3.23Å; E177-K181 WeakPolarHBondContact O-CG 3.48Å; E177-K181 PolarHBondContact O-N 2.74Å; E177-K181 WeakPolarHBondContact OE1-CE 3.41Å; E177-K181 IonicContact OE1-NZ 3.67Å; E177-K181 PolarHBondContact OE1-NZ 2.99Å; E177-K181 IonicContact OE2-NZ 3.98Å; E177-K246 WeakPolarHBondContact CB-O 3.48Å |
| 178 | V | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -49.2 | 176.5 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | M167 F170 S174 P175 R180 K181 I182 F205 I208 | M167-V178 HydrophobicContact CG-CG1 4.47Å; F170-V178 HydrophobicContact CB-CG1 4.23Å; F170-V178 HydrophobicContact CB-CG2 3.63Å; F170-V178 HydrophobicContact CD2-CG1 4.26Å; F170-V178 HydrophobicContact CG-CG2 4.5Å; S174-V178 WeakPolarHBondContact O-CG2 3.48Å; S174-V178 PolarHBondContact O-N 3.4Å; P175-V178 PolarHBondContact O-N 3.17Å; V178-R180 VanDerWaalsContact C-N 3.34Å; V178-R180 PolarHBondContact O-N 3.44Å; V178-K181 PolarHBondContact O-N 2.95Å; V178-K181 VanDerWaalsContact O-N 3.16Å; V178-I182 HydrophobicContact CG1-CD1 3.62Å; V178-I182 HydrophobicContact CG1-CG1 4.25Å; V178-I182 WeakPolarHBondContact O-CG1 3.42Å; V178-I182 PolarHBondContact O-N 2.88Å; V178-F205 HydrophobicContact CG1-CE1 4.06Å; V178-I208 HydrophobicContact CB-CD1 4.41Å; V178-I208 HydrophobicContact CG1-CD1 3.92Å; V178-I208 HydrophobicContact CG2-CD1 4.22Å; V178-I208 HydrophobicContact CG2-CG2 4.13Å |
| 179 | Q | 95 | Very high | 93.6 | Very high | 75 Ų | 75 | 62.5 Ų | 62.5 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.5 | -49.1 | 175.2 | -74.9 | 176.5 | -9.7 | 0 | 0 | 111.6 | P175 K181 I182 Q183 L200 F205 | P175-Q179 WeakPolarHBondContact O-CB 3.36Å; P175-Q179 WeakPolarHBondContact O-CG 3.48Å; P175-Q179 PolarHBondContact O-N 3.03Å; Q179-K181 PolarHBondContact O-N 3.43Å; Q179-I182 PolarHBondContact O-N 3.13Å; Q179-Q183 WeakPolarHBondContact O-CB 3.34Å; Q179-Q183 PolarHBondContact O-N 3.28Å; Q179-L200 HydrophobicContact CB-CD2 4.36Å; Q179-L200 HydrophobicContact CG-CD2 4.39Å; Q179-F205 HydrophobicContact CG-CD1 4.38Å; Q179-F205 HydrophobicContact CG-CE1 3.7Å; Q179-F205 HydrophobicContact CG-CE2 4.02Å; Q179-F205 HydrophobicContact CG-CZ 3.5Å |
| 180 | R | 95 | Very high | 94 | Very high | 123 Ų | 123 | 54.9 Ų | 54.9 | 46% | 0.464 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 177.1 | -176.9 | -177.6 | 65.7 | -168.4 | -5.1 | 112.1 | R176 E177 V178 Q183 Q184 Q245 | R176-R180 WeakPolarHBondContact O-CB 3.43Å; R176-R180 PolarHBondContact O-N 3.17Å; R176-R180 VanDerWaalsContact O-N 3.07Å; E177-R180 PolarHBondContact O-N 3.49Å; V178-R180 VanDerWaalsContact C-N 3.34Å; V178-R180 PolarHBondContact O-N 3.44Å; R180-Q183 PolarHBondContact O-N 3.41Å; R180-Q184 WeakPolarHBondContact O-CB 3.42Å; R180-Q184 PolarHBondContact O-N 3.44Å; R180-Q245 PolarHBondContact NH1-O 2.92Å; R180-Q245 PolarHBondContact NH2-O 3.14Å; R180-Q245 VanDerWaalsContact NH2-O 3.17Å |
| 181 | K | 95.4 | Very high | 94.6 | Very high | 58 Ų | 58 | 52.5 Ų | 52.5 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.9 | -40.6 | 179.7 | -77.1 | 175.7 | -179.8 | 164.6 | 0 | 112.1 | F170 S173 E177 V178 Q179 Q184 L185 | F170-K181 HydrophobicContact CD1-CD 3.93Å; F170-K181 HydrophobicContact CE1-CD 3.63Å; F170-K181 HydrophobicContact CE2-CB 4.26Å; F170-K181 HydrophobicContact CZ-CB 4.17Å; F170-K181 HydrophobicContact CZ-CD 3.95Å; S173-K181 PolarHBondContact OG-NZ 2.9Å; S173-K181 VanDerWaalsContact OG-NZ 3.16Å; E177-K181 HydrophobicContact CG-CD 4.02Å; E177-K181 HydrophobicContact CG-CG 4.41Å; E177-K181 WeakPolarHBondContact O-CB 3.23Å; E177-K181 WeakPolarHBondContact O-CG 3.48Å; E177-K181 PolarHBondContact O-N 2.74Å; E177-K181 WeakPolarHBondContact OE1-CE 3.41Å; E177-K181 IonicContact OE1-NZ 3.67Å; E177-K181 PolarHBondContact OE1-NZ 2.99Å; E177-K181 IonicContact OE2-NZ 3.98Å; V178-K181 PolarHBondContact O-N 2.95Å; V178-K181 VanDerWaalsContact O-N 3.16Å; Q179-K181 PolarHBondContact O-N 3.43Å; K181-Q184 PolarHBondContact O-N 3.04Å; K181-L185 WeakPolarHBondContact O-CB 3.34Å; K181-L185 PolarHBondContact O-N 2.92Å |
| 182 | I | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.4 | -44.9 | 176.4 | -70 | 171.4 | 0 | 0 | 0 | 110.3 | A163 M167 V178 Q179 Q184 L185 L186 L200 L203 F205 | A163-I182 HydrophobicContact CB-CG2 3.64Å; M167-I182 HydrophobicContact CG-CD1 3.29Å; M167-I182 HydrophobicContact SD-CD1 4.16Å; V178-I182 HydrophobicContact CG1-CD1 3.62Å; V178-I182 HydrophobicContact CG1-CG1 4.25Å; V178-I182 WeakPolarHBondContact O-CG1 3.42Å; V178-I182 PolarHBondContact O-N 2.88Å; Q179-I182 PolarHBondContact O-N 3.13Å; I182-Q184 VanDerWaalsContact C-N 3.32Å; I182-Q184 PolarHBondContact O-N 3.29Å; I182-L185 WeakPolarHBondContact O-CB 3.32Å; I182-L185 PolarHBondContact O-N 3.45Å; I182-L185 VanDerWaalsContact O-N 3.15Å; I182-L186 HydrophobicContact CG2-CD1 4.07Å; I182-L186 HydrophobicContact CG2-CG 4.28Å; I182-L186 WeakPolarHBondContact O-CG 3.43Å; I182-L186 PolarHBondContact O-N 2.94Å; I182-L200 HydrophobicContact CB-CD2 3.94Å; I182-L200 HydrophobicContact CG2-CD2 3.65Å; I182-L203 HydrophobicContact CD1-CD1 4.32Å; I182-L203 HydrophobicContact CG2-CD1 4.37Å; I182-F205 HydrophobicContact CD1-CE1 4.38Å |
| 183 | Q | 96.3 | Very high | 95.9 | Very high | 63 Ų | 63 | 48 Ų | 48 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56 | -49.3 | 176 | -163.5 | 177.5 | 29.5 | 0 | 0 | 111.2 | Q179 R180 L185 L186 M187 L200 | Q179-Q183 WeakPolarHBondContact O-CB 3.34Å; Q179-Q183 PolarHBondContact O-N 3.28Å; R180-Q183 PolarHBondContact O-N 3.41Å; Q183-L185 VanDerWaalsContact C-N 3.34Å; Q183-L185 PolarHBondContact O-N 2.89Å; Q183-L186 PolarHBondContact O-N 3.09Å; Q183-M187 HydrophobicContact CG-SD 4.47Å; Q183-M187 WeakPolarHBondContact O-CG 3.43Å; Q183-M187 PolarHBondContact O-N 3.45Å; Q183-L200 HydrophobicContact CB-CD1 3.82Å; Q183-L200 HydrophobicContact CG-CD1 4.04Å |
| 184 | Q | 96.2 | Very high | 96 | Very high | 127 Ų | 127 | 52.4 Ų | 52.4 | 59% | 0.593 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.9 | -43.9 | 177.1 | -173.5 | 179.5 | 9.8 | 0 | 0 | 111.5 | R180 K181 I182 M187 T188 | R180-Q184 WeakPolarHBondContact O-CB 3.42Å; R180-Q184 PolarHBondContact O-N 3.44Å; K181-Q184 PolarHBondContact O-N 3.04Å; I182-Q184 VanDerWaalsContact C-N 3.32Å; I182-Q184 PolarHBondContact O-N 3.29Å; Q184-M187 PolarHBondContact O-N 3.23Å; Q184-T188 HydrophobicContact CG-CG2 4.47Å; Q184-T188 VanDerWaalsContact O-CG2 3.3Å; Q184-T188 WeakPolarHBondContact O-CG2 3.22Å; Q184-T188 PolarHBondContact O-N 2.82Å; Q184-T188 PolarHBondContact O-OG1 3.46Å |
| 185 | L | 97.5 | Very high | 96.2 | Very high | 49 Ų | 49 | 53.1 Ų | 53.1 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.9 | -52.3 | 176.5 | 175.5 | 65.8 | 0 | 0 | 0 | 110.9 | T162 A166 K181 I182 Q183 M187 T188 K189 | T162-L185 HydrophobicContact CG2-CD2 4.42Å; A166-L185 HydrophobicContact CB-CD2 3.46Å; A166-L185 VanDerWaalsContact CB-CD2 3.46Å; K181-L185 WeakPolarHBondContact O-CB 3.34Å; K181-L185 PolarHBondContact O-N 2.92Å; I182-L185 WeakPolarHBondContact O-CB 3.32Å; I182-L185 PolarHBondContact O-N 3.45Å; I182-L185 VanDerWaalsContact O-N 3.15Å; Q183-L185 VanDerWaalsContact C-N 3.34Å; Q183-L185 PolarHBondContact O-N 2.89Å; L185-M187 VanDerWaalsContact C-N 3.31Å; L185-M187 PolarHBondContact O-N 3.33Å; L185-T188 PolarHBondContact O-N 3.25Å; L185-T188 VanDerWaalsContact O-N 3.13Å; L185-T188 PolarHBondContact O-OG1 3.5Å; L185-K189 HydrophobicContact CD1-CG 4.23Å; L185-K189 HydrophobicContact CG-CG 4.48Å; L185-K189 VanDerWaalsContact O-CG 3.32Å; L185-K189 WeakPolarHBondContact O-CG 3.4Å; L185-K189 PolarHBondContact O-N 2.93Å |
| 186 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | -179 | -66.2 | 179.7 | 0 | 0 | 0 | 111.8 | A159 T162 A163 I182 Q183 T188 K189 G190 F191 S196 V199 | A159-L186 HydrophobicContact CB-CD2 4Å; T162-L186 HydrophobicContact CG2-CD2 4.38Å; A163-L186 HydrophobicContact CB-CD1 4.46Å; I182-L186 HydrophobicContact CG2-CD1 4.07Å; I182-L186 HydrophobicContact CG2-CG 4.28Å; I182-L186 WeakPolarHBondContact O-CG 3.43Å; I182-L186 PolarHBondContact O-N 2.94Å; Q183-L186 PolarHBondContact O-N 3.09Å; L186-T188 PolarHBondContact O-N 2.98Å; L186-K189 CarbonylContact O-C 3.58Å; L186-K189 WeakPolarHBondContact O-CB 3.38Å; L186-K189 PolarHBondContact O-N 3.25Å; L186-K189 VanDerWaalsContact O-N 3.15Å; L186-G190 PolarHBondContact O-N 3Å; L186-G190 VanDerWaalsContact O-N 3.13Å; L186-F191 HydrophobicContact CB-CB 4.33Å; L186-F191 HydrophobicContact CB-CD2 4.11Å; L186-F191 HydrophobicContact CD2-CD2 3.86Å; L186-F191 HydrophobicContact CD2-CE2 4.13Å; L186-F191 WeakPolarHBondContact O-CD2 3.3Å; L186-F191 PolarHBondContact O-N 2.87Å; L186-S196 WeakPolarHBondContact CB-OG 3.33Å; L186-V199 HydrophobicContact CD1-CB 4.21Å; L186-V199 HydrophobicContact CD1-CG1 3.98Å |
| 187 | M | 96.9 | Very high | 96.6 | Very high | 101 Ų | 101 | 51.3 Ų | 51.3 | 50% | 0.498 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 174.2 | -70.5 | 179.9 | 70.9 | 0 | 0 | 112.1 | Q183 Q184 L185 K189 G190 | Q183-M187 HydrophobicContact CG-SD 4.47Å; Q183-M187 WeakPolarHBondContact O-CG 3.43Å; Q183-M187 PolarHBondContact O-N 3.45Å; Q184-M187 PolarHBondContact O-N 3.23Å; L185-M187 VanDerWaalsContact C-N 3.31Å; L185-M187 PolarHBondContact O-N 3.33Å; M187-K189 PolarHBondContact O-N 2.96Å; M187-G190 PolarHBondContact O-N 3.49Å |
| 188 | T | 97.4 | Very high | 96.7 | Very high | 94 Ų | 94 | 54.7 Ų | 54.7 | 58% | 0.577 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66.6 | -25.8 | 176 | 62 | 0 | 0 | 0 | 0 | 112.9 | Q184 L185 L186 | Q184-T188 HydrophobicContact CG-CG2 4.47Å; Q184-T188 VanDerWaalsContact O-CG2 3.3Å; Q184-T188 WeakPolarHBondContact O-CG2 3.22Å; Q184-T188 PolarHBondContact O-N 2.82Å; Q184-T188 PolarHBondContact O-OG1 3.46Å; L185-T188 PolarHBondContact O-N 3.25Å; L185-T188 VanDerWaalsContact O-N 3.13Å; L185-T188 PolarHBondContact O-OG1 3.5Å; L186-T188 PolarHBondContact O-N 2.98Å |
| 189 | K | 97.7 | Very high | 96.8 | Very high | 56 Ų | 56 | 54.7 Ų | 54.7 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -6.8 | 172.1 | -68.3 | -64.3 | -177.3 | 171.3 | 0 | 113.3 | D123 G125 V128 L185 L186 M187 F191 | D123-K189 VanDerWaalsContact CG-NZ 3.33Å; D123-K189 WeakPolarHBondContact O-CB 3.3Å; D123-K189 WeakPolarHBondContact O-CD 3.18Å; D123-K189 IonicContact OD1-NZ 3.51Å; D123-K189 PolarHBondContact OD1-NZ 3.15Å; D123-K189 VanDerWaalsContact OD2-CE 3.3Å; D123-K189 WeakPolarHBondContact OD2-CE 3.3Å; D123-K189 IonicContact OD2-NZ 3.49Å; D123-K189 PolarHBondContact OD2-NZ 2.99Å; G125-K189 PolarHBondContact N-O 3.43Å; V128-K189 WeakPolarHBondContact CB-O 3.35Å; V128-K189 VanDerWaalsContact CG2-C 3.47Å; V128-K189 VanDerWaalsContact CG2-O 3.29Å; V128-K189 WeakPolarHBondContact CG2-O 3.25Å; L185-K189 HydrophobicContact CD1-CG 4.23Å; L185-K189 HydrophobicContact CG-CG 4.48Å; L185-K189 VanDerWaalsContact O-CG 3.32Å; L185-K189 WeakPolarHBondContact O-CG 3.4Å; L185-K189 PolarHBondContact O-N 2.93Å; L186-K189 CarbonylContact O-C 3.58Å; L186-K189 WeakPolarHBondContact O-CB 3.38Å; L186-K189 PolarHBondContact O-N 3.25Å; L186-K189 VanDerWaalsContact O-N 3.15Å; M187-K189 PolarHBondContact O-N 2.96Å; K189-F191 HydrophobicContact CB-CD2 3.88Å; K189-F191 HydrophobicContact CB-CE2 3.83Å |
| 190 | G | 97.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 12.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G125 R127 L186 M187 | G125-G190 CarbonylContact C-O 3.57Å; R127-G190 WeakPolarHBondContact CB-O 3.32Å; R127-G190 PolarHBondContact N-O 3.43Å; L186-G190 PolarHBondContact O-N 3Å; L186-G190 VanDerWaalsContact O-N 3.13Å; M187-G190 PolarHBondContact O-N 3.49Å |
| 191 | F | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | trans | -74.7 | 150.8 | 170.7 | -62.7 | -74.1 | 0 | 0 | 0 | 110.6 | G125 Q155 V158 A159 L186 K189 I195 | G125-F191 VanDerWaalsContact CA-CE1 3.44Å; Q155-F191 WeakPolarHBondContact O-CE1 3.17Å; V158-F191 HydrophobicContact CB-CZ 4.28Å; V158-F191 HydrophobicContact CG1-CZ 3.92Å; A159-F191 HydrophobicContact CB-CD1 3.79Å; A159-F191 HydrophobicContact CB-CD2 4.06Å; A159-F191 HydrophobicContact CB-CE1 3.74Å; A159-F191 HydrophobicContact CB-CE2 4.03Å; A159-F191 HydrophobicContact CB-CG 3.96Å; A159-F191 HydrophobicContact CB-CZ 3.87Å; L186-F191 HydrophobicContact CB-CB 4.33Å; L186-F191 HydrophobicContact CB-CD2 4.11Å; L186-F191 HydrophobicContact CD2-CD2 3.86Å; L186-F191 HydrophobicContact CD2-CE2 4.13Å; L186-F191 WeakPolarHBondContact O-CD2 3.3Å; L186-F191 PolarHBondContact O-N 2.87Å; K189-F191 HydrophobicContact CB-CD2 3.88Å; K189-F191 HydrophobicContact CB-CE2 3.83Å; F191-I195 HydrophobicContact CB-CG2 4.41Å; F191-I195 HydrophobicContact CD1-CG2 4.16Å | ||
| 192 | S | 96.7 | Very high | 96.9 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 22% | 0.224 | 29% | 0.293 | C | S | . | . | trans | -70.1 | 163.6 | 175.5 | 71.6 | 0 | 0 | 0 | 0 | 110.9 | D194 I195 S196 | S192-D194 PolarHBondContact O-N 3.12Å; S192-I195 WeakPolarHBondContact OG-CG1 3.24Å; S192-I195 PolarHBondContact OG-N 2.73Å; S192-S196 WeakPolarHBondContact O-CB 3.34Å; S192-S196 PolarHBondContact O-N 3.48Å; S192-S196 PolarHBondContact O-OG 3.24Å | ||
| 193 | S | 96.4 | Very high | 96.8 | Very high | 47 Ų | 47 | 55.2 Ų | 55.2 | 33% | 0.329 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 173.1 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | S196 K197 | S193-S196 PolarHBondContact O-N 3.16Å; S193-K197 WeakPolarHBondContact O-CB 3.44Å; S193-K197 VanDerWaalsContact O-CG 3.32Å; S193-K197 WeakPolarHBondContact O-CG 3.2Å; S193-K197 PolarHBondContact O-N 3.4Å |
| 194 | D | 96.8 | Very high | 96.7 | Very high | 103 Ų | 103 | 57.9 Ų | 57.9 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -70.9 | -46.5 | -175.1 | -54.5 | -41.7 | 0 | 0 | 0 | 111.2 | S192 S196 K197 N198 | S192-D194 PolarHBondContact O-N 3.12Å; D194-S196 VanDerWaalsContact C-N 3.28Å; D194-S196 PolarHBondContact O-N 2.7Å; D194-K197 PolarHBondContact O-N 2.92Å; D194-N198 WeakPolarHBondContact O-CB 3.27Å; D194-N198 VanDerWaalsContact O-CG 3.23Å; D194-N198 PolarHBondContact O-N 3.16Å; D194-N198 PolarHBondContact O-OD1 3.12Å |
| 195 | I | 97.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 8% | 0.082 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 172.8 | -64.5 | -65 | 0 | 0 | 0 | 110.4 | A152 Q155 A159 F191 S192 K197 N198 V199 | A152-I195 HydrophobicContact CB-CD1 4.45Å; Q155-I195 HydrophobicContact CB-CD1 4.25Å; Q155-I195 HydrophobicContact CB-CG1 4.36Å; Q155-I195 HydrophobicContact CB-CG2 4.5Å; A159-I195 HydrophobicContact CB-CG2 3.9Å; F191-I195 HydrophobicContact CB-CG2 4.41Å; F191-I195 HydrophobicContact CD1-CG2 4.16Å; S192-I195 WeakPolarHBondContact OG-CG1 3.24Å; S192-I195 PolarHBondContact OG-N 2.73Å; I195-K197 PolarHBondContact O-N 2.86Å; I195-N198 PolarHBondContact O-N 3.05Å; I195-V199 HydrophobicContact CG2-CG2 4.32Å; I195-V199 WeakPolarHBondContact O-CB 3.37Å; I195-V199 VanDerWaalsContact O-CG2 3.24Å; I195-V199 WeakPolarHBondContact O-CG2 3.38Å; I195-V199 PolarHBondContact O-N 2.74Å |
| 196 | S | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 179.7 | -55.2 | 0 | 0 | 0 | 0 | 112.4 | L186 S192 S193 D194 L200 | L186-S196 WeakPolarHBondContact CB-OG 3.33Å; S192-S196 WeakPolarHBondContact O-CB 3.34Å; S192-S196 PolarHBondContact O-N 3.48Å; S192-S196 PolarHBondContact O-OG 3.24Å; S193-S196 PolarHBondContact O-N 3.16Å; D194-S196 VanDerWaalsContact C-N 3.28Å; D194-S196 PolarHBondContact O-N 2.7Å; S196-L200 VanDerWaalsContact O-CG 3.25Å; S196-L200 WeakPolarHBondContact O-CG 3.31Å; S196-L200 PolarHBondContact O-N 2.9Å |
| 197 | K | 96.7 | Very high | 95.9 | Very high | 110 Ų | 110 | 57.4 Ų | 57.4 | 48% | 0.478 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 176.9 | -76.4 | 175.5 | -177.9 | 178 | 0 | 111.6 | S193 D194 I195 V199 L200 A201 | S193-K197 WeakPolarHBondContact O-CB 3.44Å; S193-K197 VanDerWaalsContact O-CG 3.32Å; S193-K197 WeakPolarHBondContact O-CG 3.2Å; S193-K197 PolarHBondContact O-N 3.4Å; D194-K197 PolarHBondContact O-N 2.92Å; I195-K197 PolarHBondContact O-N 2.86Å; K197-V199 VanDerWaalsContact C-N 3.3Å; K197-V199 PolarHBondContact O-N 3.34Å; K197-L200 PolarHBondContact O-N 2.94Å; K197-A201 PolarHBondContact O-N 2.9Å |
| 198 | N | 96.9 | Very high | 95.6 | Very high | 90 Ų | 90 | 52.9 Ų | 52.9 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 178.4 | -67.1 | -6.1 | 0 | 0 | 0 | 110.4 | F156 D194 I195 L200 A201 E202 | F156-N198 HydrophobicContact CD2-CB 4.1Å; F156-N198 HydrophobicContact CE2-CB 3.93Å; D194-N198 WeakPolarHBondContact O-CB 3.27Å; D194-N198 VanDerWaalsContact O-CG 3.23Å; D194-N198 PolarHBondContact O-N 3.16Å; D194-N198 PolarHBondContact O-OD1 3.12Å; I195-N198 PolarHBondContact O-N 3.05Å; N198-L200 PolarHBondContact O-N 3.43Å; N198-A201 PolarHBondContact O-N 3.26Å; N198-A201 VanDerWaalsContact O-N 3.16Å; N198-E202 PolarHBondContact O-N 3.42Å |
| 199 | V | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 176.2 | 167.5 | 0 | 0 | 0 | 0 | 110.5 | F156 A159 A160 A163 L186 I195 K197 A201 E202 L203 | F156-V199 HydrophobicContact CD2-CG2 3.61Å; F156-V199 HydrophobicContact CE2-CB 4.2Å; F156-V199 HydrophobicContact CE2-CG2 3.56Å; F156-V199 HydrophobicContact CG-CG2 4.25Å; F156-V199 HydrophobicContact CZ-CG2 4.11Å; A159-V199 HydrophobicContact CB-CG2 3.71Å; A160-V199 HydrophobicContact CB-CG1 4.28Å; A160-V199 HydrophobicContact CB-CG2 4.32Å; A163-V199 HydrophobicContact CB-CG1 3.84Å; L186-V199 HydrophobicContact CD1-CB 4.21Å; L186-V199 HydrophobicContact CD1-CG1 3.98Å; I195-V199 HydrophobicContact CG2-CG2 4.32Å; I195-V199 WeakPolarHBondContact O-CB 3.37Å; I195-V199 VanDerWaalsContact O-CG2 3.24Å; I195-V199 WeakPolarHBondContact O-CG2 3.38Å; I195-V199 PolarHBondContact O-N 2.74Å; K197-V199 VanDerWaalsContact C-N 3.3Å; K197-V199 PolarHBondContact O-N 3.34Å; V199-A201 PolarHBondContact O-N 3.39Å; V199-E202 PolarHBondContact O-N 2.77Å; V199-E202 VanDerWaalsContact O-N 3.14Å; V199-L203 HydrophobicContact CG1-CD1 4.03Å; V199-L203 HydrophobicContact CG1-CG 4.28Å; V199-L203 VanDerWaalsContact O-CG 3.32Å; V199-L203 WeakPolarHBondContact O-CG 3.11Å; V199-L203 PolarHBondContact O-N 3.28Å |
| 200 | L | 96.4 | Very high | 94.8 | Very high | 24 Ų | 24 | 58.7 Ų | 58.7 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.1 | -31.1 | 178.3 | -72 | 167.4 | 0 | 0 | 0 | 113.2 | Q179 I182 Q183 S196 K197 N198 E202 L203 F205 | Q179-L200 HydrophobicContact CB-CD2 4.36Å; Q179-L200 HydrophobicContact CG-CD2 4.39Å; I182-L200 HydrophobicContact CB-CD2 3.94Å; I182-L200 HydrophobicContact CG2-CD2 3.65Å; Q183-L200 HydrophobicContact CB-CD1 3.82Å; Q183-L200 HydrophobicContact CG-CD1 4.04Å; S196-L200 VanDerWaalsContact O-CG 3.25Å; S196-L200 WeakPolarHBondContact O-CG 3.31Å; S196-L200 PolarHBondContact O-N 2.9Å; K197-L200 PolarHBondContact O-N 2.94Å; N198-L200 PolarHBondContact O-N 3.43Å; L200-E202 VanDerWaalsContact C-N 3.33Å; L200-L203 HydrophobicContact CD2-CD1 4.29Å; L200-F205 HydrophobicContact CD2-CZ 4.14Å |
| 201 | A | 95.8 | Very high | 94.4 | Very high | 87 Ų | 87 | 61.3 Ų | 61.3 | 72% | 0.719 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -72.4 | -25.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K197 N198 V199 | K197-A201 PolarHBondContact O-N 2.9Å; N198-A201 PolarHBondContact O-N 3.26Å; N198-A201 VanDerWaalsContact O-N 3.16Å; V199-A201 PolarHBondContact O-N 3.39Å |
| 202 | E | 95.3 | Very high | 94 | Very high | 142 Ų | 142 | 62.1 Ų | 62.1 | 66% | 0.664 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -96 | -9.7 | 178.4 | -71.9 | -166.5 | -166.6 | 0 | 0 | 114.2 | F156 N198 V199 L200 | F156-E202 VanDerWaalsContact CE1-OE2 3.26Å; F156-E202 WeakPolarHBondContact CE1-OE2 3.46Å; F156-E202 HydrophobicContact CZ-CB 4.04Å; F156-E202 HydrophobicContact CZ-CG 3.95Å; F156-E202 WeakPolarHBondContact CZ-OE2 3.09Å; N198-E202 PolarHBondContact O-N 3.42Å; V199-E202 PolarHBondContact O-N 2.77Å; V199-E202 VanDerWaalsContact O-N 3.14Å; L200-E202 VanDerWaalsContact C-N 3.33Å |
| 203 | L | 94.2 | Very high | 93.6 | Very high | 15 Ų | 15 | 64 Ų | 64 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -75 | 136.9 | 178 | -71.6 | 171.5 | 0 | 0 | 0 | 111 | A163 K164 M167 I182 V199 L200 F205 | A163-L203 HydrophobicContact CB-CD1 3.68Å; A163-L203 HydrophobicContact CB-CD2 4.43Å; K164-L203 HydrophobicContact CD-CD2 4.45Å; K164-L203 HydrophobicContact CG-CD2 3.56Å; M167-L203 HydrophobicContact CE-CB 4.44Å; M167-L203 HydrophobicContact SD-CB 4.11Å; M167-L203 HydrophobicContact SD-CD1 3.82Å; M167-L203 HydrophobicContact SD-CD2 3.8Å; M167-L203 HydrophobicContact SD-CG 4.1Å; I182-L203 HydrophobicContact CD1-CD1 4.32Å; I182-L203 HydrophobicContact CG2-CD1 4.37Å; V199-L203 HydrophobicContact CG1-CD1 4.03Å; V199-L203 HydrophobicContact CG1-CG 4.28Å; V199-L203 VanDerWaalsContact O-CG 3.32Å; V199-L203 WeakPolarHBondContact O-CG 3.11Å; V199-L203 PolarHBondContact O-N 3.28Å; L200-L203 HydrophobicContact CD2-CD1 4.29Å; L203-F205 HydrophobicContact CB-CD2 4.29Å; L203-F205 HydrophobicContact CB-CE2 3.6Å; L203-F205 HydrophobicContact CB-CZ 3.88Å; L203-F205 HydrophobicContact CD1-CZ 4.2Å; L203-F205 VanDerWaalsContact O-CD2 3.25Å; L203-F205 WeakPolarHBondContact O-CD2 3.36Å |
| 204 | D | 93.6 | Very high | 93.3 | Very high | 118 Ų | 118 | 66.9 Ų | 66.9 | 63% | 0.631 | 35% | 0.351 | S | S | * | . | trans | -84.9 | 114.7 | 173.7 | -179 | 9.2 | 0 | 0 | 0 | 110.3 | M167 S206 | M167-D204 WeakPolarHBondContact CE-O 3.37Å; D204-S206 VanDerWaalsContact CG-OG 3.23Å; D204-S206 WeakPolarHBondContact OD1-CB 3.48Å; D204-S206 PolarHBondContact OD1-N 3.44Å; D204-S206 PolarHBondContact OD1-OG 3.39Å; D204-S206 PolarHBondContact OD2-OG 2.98Å | ||
| 205 | F | 92.5 | Very high | 93.1 | Very high | 14 Ų | 14 | 62 Ų | 62 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | trans | -101.2 | 3.3 | 178.4 | -67.1 | -86.5 | 0 | 0 | 0 | 113.3 | M167 V178 Q179 I182 L200 L203 E207 I208 E209 | M167-F205 HydrophobicContact CE-CD1 3.78Å; M167-F205 HydrophobicContact CE-CE1 3.8Å; M167-F205 HydrophobicContact CE-CG 4.31Å; M167-F205 HydrophobicContact CE-CZ 4.36Å; V178-F205 HydrophobicContact CG1-CE1 4.06Å; Q179-F205 HydrophobicContact CG-CD1 4.38Å; Q179-F205 HydrophobicContact CG-CE1 3.7Å; Q179-F205 HydrophobicContact CG-CE2 4.02Å; Q179-F205 HydrophobicContact CG-CZ 3.5Å; I182-F205 HydrophobicContact CD1-CE1 4.38Å; L200-F205 HydrophobicContact CD2-CZ 4.14Å; L203-F205 HydrophobicContact CB-CD2 4.29Å; L203-F205 HydrophobicContact CB-CE2 3.6Å; L203-F205 HydrophobicContact CB-CZ 3.88Å; L203-F205 HydrophobicContact CD1-CZ 4.2Å; L203-F205 VanDerWaalsContact O-CD2 3.25Å; L203-F205 WeakPolarHBondContact O-CD2 3.36Å; F205-E207 VanDerWaalsContact C-N 3.35Å; F205-E207 PolarHBondContact O-N 3.31Å; F205-I208 HydrophobicContact CD1-CD1 4.24Å; F205-I208 WeakPolarHBondContact O-CA 3.37Å; F205-I208 WeakPolarHBondContact O-CB 3.46Å; F205-I208 PolarHBondContact O-N 2.92Å; F205-E209 HydrophobicContact CB-CG 4.47Å; F205-E209 PolarHBondContact O-N 3.4Å | ||
| 206 | S | 91.9 | Very high | 93 | Very high | 47 Ų | 47 | 61.7 Ų | 61.7 | 33% | 0.329 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -51.3 | -49.2 | -174.7 | 54 | 0 | 0 | 0 | 0 | 113.1 | D204 I208 E209 E210 | D204-S206 VanDerWaalsContact CG-OG 3.23Å; D204-S206 WeakPolarHBondContact OD1-CB 3.48Å; D204-S206 PolarHBondContact OD1-N 3.44Å; D204-S206 PolarHBondContact OD1-OG 3.39Å; D204-S206 PolarHBondContact OD2-OG 2.98Å; S206-I208 PolarHBondContact O-N 2.97Å; S206-E209 PolarHBondContact O-N 3.37Å; S206-E209 VanDerWaalsContact O-N 3.13Å; S206-E210 WeakPolarHBondContact O-CG 3.38Å; S206-E210 PolarHBondContact O-N 3.18Å |
| 207 | E | 89.8 | Confident | 92.7 | Very high | 105 Ų | 105 | 66.1 Ų | 66.1 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.5 | -35.7 | 178.3 | -170.7 | -173.3 | 167.7 | 0 | 0 | 112.6 | H171 F205 Q211 | H171-E207 IonicContact CE1-OE1 2.67Å; H171-E207 IonicContact ND1-OE1 3.29Å; F205-E207 VanDerWaalsContact C-N 3.35Å; F205-E207 PolarHBondContact O-N 3.31Å; E207-Q211 VanDerWaalsContact O-CG 3.25Å; E207-Q211 WeakPolarHBondContact O-CG 3.4Å; E207-Q211 PolarHBondContact O-N 2.89Å |
| 208 | I | 90.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -78.6 | -35.3 | -180 | -57.5 | -179.8 | 0 | 0 | 0 | 110.6 | M167 P175 V178 F205 S206 Q211 E212 | M167-I208 HydrophobicContact CE-CD1 3.97Å; P175-I208 HydrophobicContact CG-CG2 4.15Å; V178-I208 HydrophobicContact CB-CD1 4.41Å; V178-I208 HydrophobicContact CG1-CD1 3.92Å; V178-I208 HydrophobicContact CG2-CD1 4.22Å; V178-I208 HydrophobicContact CG2-CG2 4.13Å; F205-I208 HydrophobicContact CD1-CD1 4.24Å; F205-I208 WeakPolarHBondContact O-CA 3.37Å; F205-I208 WeakPolarHBondContact O-CB 3.46Å; F205-I208 PolarHBondContact O-N 2.92Å; S206-I208 PolarHBondContact O-N 2.97Å; I208-Q211 CarbonylContact O-C 3.59Å; I208-Q211 PolarHBondContact O-N 3.39Å; I208-E212 PolarHBondContact O-N 3.4Å; I208-E212 VanDerWaalsContact O-N 3.13Å |
| 209 | E | 90.1 | Very high | 92.5 | Very high | 113 Ų | 113 | 62 Ų | 62 | 53% | 0.528 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 174.6 | -72.5 | 176.5 | -179.8 | 0 | 0 | 111.2 | P175 F205 S206 Q211 E212 | P175-E209 HydrophobicContact CB-CG 4.14Å; P175-E209 HydrophobicContact CG-CB 4.39Å; P175-E209 HydrophobicContact CG-CG 3.57Å; F205-E209 HydrophobicContact CB-CG 4.47Å; F205-E209 PolarHBondContact O-N 3.4Å; S206-E209 PolarHBondContact O-N 3.37Å; S206-E209 VanDerWaalsContact O-N 3.13Å; E209-Q211 VanDerWaalsContact C-N 3.25Å; E209-Q211 PolarHBondContact O-N 2.94Å; E209-E212 WeakPolarHBondContact O-CB 3.47Å; E209-E212 PolarHBondContact O-N 3.36Å; E209-E212 VanDerWaalsContact O-N 3.17Å |
| 210 | E | 88.6 | Confident | 92.3 | Very high | 159 Ų | 159 | 62 Ų | 62 | 74% | 0.743 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.8 | -35.4 | 174.5 | -72.9 | 178.6 | -179.1 | 0 | 0 | 112.2 | S206 | S206-E210 WeakPolarHBondContact O-CG 3.38Å; S206-E210 PolarHBondContact O-N 3.18Å |
| 211 | Q | 89.1 | Confident | 92.2 | Very high | 57 Ų | 57 | 64.6 Ų | 64.6 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 1.4 | 179.6 | -67 | 169.7 | 7 | 0 | 0 | 113.6 | H171 E207 I208 E209 T213 D214 A215 | H171-Q211 PolarHBondContact ND1-OE1 3.37Å; E207-Q211 VanDerWaalsContact O-CG 3.25Å; E207-Q211 WeakPolarHBondContact O-CG 3.4Å; E207-Q211 PolarHBondContact O-N 2.89Å; I208-Q211 CarbonylContact O-C 3.59Å; I208-Q211 PolarHBondContact O-N 3.39Å; E209-Q211 VanDerWaalsContact C-N 3.25Å; E209-Q211 PolarHBondContact O-N 2.94Å; Q211-T213 VanDerWaalsContact C-N 3.32Å; Q211-T213 PolarHBondContact O-N 2.96Å; Q211-D214 PolarHBondContact O-N 3.22Å; Q211-A215 WeakPolarHBondContact O-CB 3.41Å; Q211-A215 PolarHBondContact O-N 3.48Å |
| 212 | E | 91 | Very high | 92.2 | Very high | 18 Ų | 18 | 67.1 Ų | 67.1 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.9 | -38.6 | -172.5 | -175.2 | 172.9 | -152.5 | 0 | 0 | 112 | S174 P175 I208 E209 A215 L216 F248 | S174-E212 WeakPolarHBondContact CB-OE1 3.29Å; P175-E212 WeakPolarHBondContact CD-OE1 3.33Å; I208-E212 PolarHBondContact O-N 3.4Å; I208-E212 VanDerWaalsContact O-N 3.13Å; E209-E212 WeakPolarHBondContact O-CB 3.47Å; E209-E212 PolarHBondContact O-N 3.36Å; E209-E212 VanDerWaalsContact O-N 3.17Å; E212-A215 PolarHBondContact O-N 3.49Å; E212-L216 WeakPolarHBondContact O-CB 3.43Å; E212-L216 PolarHBondContact O-N 2.9Å; E212-F248 HydrophobicContact CG-CD1 4Å; E212-F248 HydrophobicContact CG-CE1 4.13Å |
| 213 | T | 87.5 | Confident | 92.3 | Very high | 73 Ų | 73 | 61.1 Ų | 61.1 | 45% | 0.448 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.6 | -49.7 | 178.2 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | Q211 A215 L216 E217 | Q211-T213 VanDerWaalsContact C-N 3.32Å; Q211-T213 PolarHBondContact O-N 2.96Å; T213-A215 VanDerWaalsContact C-N 3.29Å; T213-A215 PolarHBondContact O-N 3.22Å; T213-L216 WeakPolarHBondContact O-CA 3.25Å; T213-L216 WeakPolarHBondContact O-CB 3.19Å; T213-L216 PolarHBondContact O-N 3.48Å; T213-E217 PolarHBondContact O-N 2.96Å |
| 214 | D | 90.2 | Very high | 92.3 | Very high | 107 Ų | 107 | 60.5 Ų | 60.5 | 57% | 0.572 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.2 | -39.8 | 178.1 | -62.9 | -7.8 | 0 | 0 | 0 | 111.2 | Q211 L216 E217 L218 | Q211-D214 PolarHBondContact O-N 3.22Å; D214-L216 VanDerWaalsContact C-N 3.33Å; D214-E217 PolarHBondContact O-N 3.02Å; D214-L218 WeakPolarHBondContact O-CB 3.27Å; D214-L218 PolarHBondContact O-N 3.25Å |
| 215 | A | 93.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q211 E212 T213 Q219 F248 | Q211-A215 WeakPolarHBondContact O-CB 3.41Å; Q211-A215 PolarHBondContact O-N 3.48Å; E212-A215 PolarHBondContact O-N 3.49Å; T213-A215 VanDerWaalsContact C-N 3.29Å; T213-A215 PolarHBondContact O-N 3.22Å; A215-Q219 VanDerWaalsContact O-CB 3.32Å; A215-Q219 WeakPolarHBondContact O-CB 3.32Å; A215-Q219 WeakPolarHBondContact O-CG 3.48Å; A215-Q219 PolarHBondContact O-N 3.07Å; A215-F248 HydrophobicContact CB-CE1 4.14Å; A215-F248 HydrophobicContact CB-CZ 4.18Å |
| 216 | L | 94.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 70 Ų | 70 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.4 | -48 | 175.7 | 173.2 | 62.6 | 0 | 0 | 0 | 110.8 | E212 T213 D214 Q219 G220 L243 F248 Q252 I253 F256 | E212-L216 WeakPolarHBondContact O-CB 3.43Å; E212-L216 PolarHBondContact O-N 2.9Å; T213-L216 WeakPolarHBondContact O-CA 3.25Å; T213-L216 WeakPolarHBondContact O-CB 3.19Å; T213-L216 PolarHBondContact O-N 3.48Å; D214-L216 VanDerWaalsContact C-N 3.33Å; L216-Q219 PolarHBondContact O-N 2.87Å; L216-G220 VanDerWaalsContact O-CA 3.29Å; L216-G220 WeakPolarHBondContact O-CA 3Å; L216-G220 PolarHBondContact O-N 3.43Å; L216-L243 HydrophobicContact CD1-CD1 3.86Å; L216-L243 HydrophobicContact CD1-CD2 4Å; L216-L243 HydrophobicContact CD1-CG 4.37Å; L216-F248 HydrophobicContact CB-CD1 3.77Å; L216-F248 HydrophobicContact CB-CE1 3.73Å; L216-F248 HydrophobicContact CB-CG 4.42Å; L216-F248 HydrophobicContact CB-CZ 4.36Å; L216-F248 HydrophobicContact CD1-CB 4Å; L216-F248 HydrophobicContact CD1-CD1 3.99Å; L216-F248 HydrophobicContact CD1-CD2 4.08Å; L216-F248 HydrophobicContact CD1-CE1 4.48Å; L216-F248 HydrophobicContact CD1-CG 3.76Å; L216-F248 HydrophobicContact CG-CD1 4.39Å; L216-Q252 HydrophobicContact CD2-CB 3.52Å; L216-I253 HydrophobicContact CD1-CG1 4.14Å; L216-F256 HydrophobicContact CD2-CB 4.42Å |
| 217 | E | 91 | Very high | 92.6 | Very high | 94 Ų | 94 | 68.5 Ų | 68.5 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.1 | -50.3 | 178.8 | -71.3 | -176.4 | -179.7 | 0 | 0 | 111.1 | T213 D214 Q219 G220 E221 | T213-E217 PolarHBondContact O-N 2.96Å; D214-E217 PolarHBondContact O-N 3.02Å; E217-Q219 PolarHBondContact O-N 2.87Å; E217-G220 PolarHBondContact O-N 3.32Å; E217-E221 WeakPolarHBondContact O-CB 3.35Å; E217-E221 PolarHBondContact O-N 3.47Å |
| 218 | L | 93.3 | Very high | 92.7 | Very high | 81 Ų | 81 | 68.3 Ų | 68.3 | 42% | 0.424 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 179.5 | -178.5 | 68.6 | 0 | 0 | 0 | 112.4 | H172 D214 K222 | H172-L218 HydrophobicContact CB-CD2 4.15Å; D214-L218 WeakPolarHBondContact O-CB 3.27Å; D214-L218 PolarHBondContact O-N 3.25Å; L218-K222 WeakPolarHBondContact O-CB 3.37Å; L218-K222 PolarHBondContact O-N 3.39Å |
| 219 | Q | 95.5 | Very high | 92.8 | Very high | 32 Ų | 32 | 77.8 Ų | 77.8 | 15% | 0.15 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.7 | -36.7 | 179.2 | -66.1 | -60.9 | -31.4 | 0 | 0 | 111.6 | H172 A215 L216 E217 L223 L243 F248 | H172-Q219 PolarHBondContact O-NE2 3.05Å; A215-Q219 VanDerWaalsContact O-CB 3.32Å; A215-Q219 WeakPolarHBondContact O-CB 3.32Å; A215-Q219 WeakPolarHBondContact O-CG 3.48Å; A215-Q219 PolarHBondContact O-N 3.07Å; L216-Q219 PolarHBondContact O-N 2.87Å; E217-Q219 PolarHBondContact O-N 2.87Å; Q219-L223 WeakPolarHBondContact O-CB 3.44Å; Q219-L223 WeakPolarHBondContact O-CD1 3.45Å; Q219-L223 VanDerWaalsContact O-CG 3.22Å; Q219-L223 WeakPolarHBondContact O-CG 3.36Å; Q219-L223 PolarHBondContact O-N 3.37Å; Q219-L243 HydrophobicContact CB-CD2 3.94Å; Q219-F248 HydrophobicContact CB-CE2 4.2Å; Q219-F248 HydrophobicContact CB-CZ 4.44Å; Q219-F248 HydrophobicContact CG-CE2 4.3Å; Q219-F248 HydrophobicContact CG-CZ 4.27Å |
| 220 | G | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.8 | -52.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L216 E217 K222 L223 W224 F256 | L216-G220 VanDerWaalsContact O-CA 3.29Å; L216-G220 WeakPolarHBondContact O-CA 3Å; L216-G220 PolarHBondContact O-N 3.43Å; E217-G220 PolarHBondContact O-N 3.32Å; G220-K222 PolarHBondContact O-N 2.92Å; G220-L223 CarbonylContact O-C 3.38Å; G220-L223 PolarHBondContact O-N 3.07Å; G220-L223 VanDerWaalsContact O-N 3.12Å; G220-W224 WeakPolarHBondContact O-CB 3.32Å; G220-W224 PolarHBondContact O-N 3.4Å; G220-F256 VanDerWaalsContact C-CE1 3.46Å; G220-F256 VanDerWaalsContact CA-CE1 3.42Å; G220-F256 VanDerWaalsContact CA-CZ 3.42Å |
| 221 | E | 93.4 | Very high | 93.1 | Very high | 78 Ų | 78 | 73.8 Ų | 73.8 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | -180 | -168.5 | -163.2 | 171.5 | 0 | 0 | 111.2 | E217 L223 W224 R225 F256 K430 | E217-E221 WeakPolarHBondContact O-CB 3.35Å; E217-E221 PolarHBondContact O-N 3.47Å; E221-L223 VanDerWaalsContact C-N 3.26Å; E221-L223 PolarHBondContact O-N 3.22Å; E221-W224 WeakPolarHBondContact O-CB 3.34Å; E221-W224 PolarHBondContact O-N 2.92Å; E221-W224 VanDerWaalsContact O-N 3.13Å; E221-R225 WeakPolarHBondContact O-CB 3.41Å; E221-R225 PolarHBondContact O-N 3.35Å; E221-F256 VanDerWaalsContact N-CZ 3.28Å; E221-K430 WeakPolarHBondContact OE1-CE 3.48Å; E221-K430 IonicContact OE1-NZ 2.86Å |
| 222 | K | 95.7 | Very high | 92.9 | Very high | 141 Ų | 141 | 74.5 Ų | 74.5 | 61% | 0.613 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -56.4 | -43.1 | 176.2 | -179.9 | 177.7 | -178.9 | 173.4 | 0 | 111.7 | L218 G220 K226 | L218-K222 WeakPolarHBondContact O-CB 3.37Å; L218-K222 PolarHBondContact O-N 3.39Å; G220-K222 PolarHBondContact O-N 2.92Å; K222-K226 VanDerWaalsContact O-CB 3.26Å; K222-K226 WeakPolarHBondContact O-CB 3.32Å; K222-K226 PolarHBondContact O-N 3.16Å; K222-K226 VanDerWaalsContact O-N 3.13Å |
| 223 | L | 96.8 | Very high | 92.7 | Very high | 16 Ų | 16 | 77.5 Ų | 77.5 | 8% | 0.084 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.2 | -38.1 | 177.9 | -74.1 | 168.2 | 0 | 0 | 0 | 111.7 | Q219 G220 E221 K226 N227 V239 L243 | Q219-L223 WeakPolarHBondContact O-CB 3.44Å; Q219-L223 WeakPolarHBondContact O-CD1 3.45Å; Q219-L223 VanDerWaalsContact O-CG 3.22Å; Q219-L223 WeakPolarHBondContact O-CG 3.36Å; Q219-L223 PolarHBondContact O-N 3.37Å; G220-L223 CarbonylContact O-C 3.38Å; G220-L223 PolarHBondContact O-N 3.07Å; G220-L223 VanDerWaalsContact O-N 3.12Å; E221-L223 VanDerWaalsContact C-N 3.26Å; E221-L223 PolarHBondContact O-N 3.22Å; L223-K226 PolarHBondContact O-N 3.25Å; L223-N227 WeakPolarHBondContact O-CB 3.34Å; L223-N227 PolarHBondContact O-N 3.49Å; L223-N227 VanDerWaalsContact O-N 3.13Å; L223-N227 PolarHBondContact O-ND2 2.93Å; L223-V239 HydrophobicContact CB-CG1 4.25Å; L223-V239 HydrophobicContact CB-CG2 4.24Å; L223-L243 HydrophobicContact CD1-CD2 3.63Å; L223-L243 HydrophobicContact CD1-CG 3.78Å |
| 224 | W | 94.5 | Very high | 93 | Very high | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.008 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.1 | -53.9 | 178.1 | -165 | -100 | 0 | 0 | 0 | 110.2 | G220 E221 K226 N227 Q228 R235 V239 I257 E260 Q261 E264 | G220-W224 WeakPolarHBondContact O-CB 3.32Å; G220-W224 PolarHBondContact O-N 3.4Å; E221-W224 WeakPolarHBondContact O-CB 3.34Å; E221-W224 PolarHBondContact O-N 2.92Å; E221-W224 VanDerWaalsContact O-N 3.13Å; W224-K226 PolarHBondContact O-N 3.3Å; W224-N227 CarbonylContact O-C 3.58Å; W224-N227 PolarHBondContact O-N 3.07Å; W224-Q228 PolarHBondContact O-N 3.41Å; W224-R235 HydrophobicContact CE3-CG 4.46Å; W224-R235 HydrophobicContact CH2-CG 4.42Å; W224-R235 HydrophobicContact CZ3-CG 4.39Å; W224-V239 HydrophobicContact CE3-CB 4.21Å; W224-V239 HydrophobicContact CE3-CG1 4.15Å; W224-V239 HydrophobicContact CE3-CG2 3.81Å; W224-V239 HydrophobicContact CZ3-CG2 4.38Å; W224-I257 HydrophobicContact CH2-CG2 4.16Å; W224-I257 HydrophobicContact CZ3-CB 4.34Å; W224-I257 HydrophobicContact CZ3-CG1 4.09Å; W224-I257 HydrophobicContact CZ3-CG2 3.88Å; W224-E260 HydrophobicContact CD2-CB 4.08Å; W224-E260 HydrophobicContact CD2-CG 4.43Å; W224-E260 HydrophobicContact CE3-CB 4.49Å; W224-E260 HydrophobicContact CG-CB 4.49Å; W224-E260 HydrophobicContact CG-CG 4.44Å; W224-E260 HydrophobicContact CZ2-CB 4.15Å; W224-Q261 HydrophobicContact CH2-CG 3.49Å; W224-Q261 VanDerWaalsContact CH2-CG 3.49Å; W224-Q261 HydrophobicContact CZ2-CG 3.78Å; W224-E264 VanDerWaalsContact NE1-CD 3.26Å; W224-E264 PolarHBondContact NE1-OE1 2.88Å; W224-E264 PolarHBondContact NE1-OE2 3.39Å |
| 225 | R | 92.7 | Very high | 93.2 | Very high | 176 Ų | 176 | 75.4 Ų | 75.4 | 66% | 0.664 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -57.7 | -47 | 176 | -168.2 | 178.2 | 74.7 | 165.2 | 2 | 112.4 | E221 N227 Q228 | E221-R225 WeakPolarHBondContact O-CB 3.41Å; E221-R225 PolarHBondContact O-N 3.35Å; R225-N227 PolarHBondContact O-N 3.18Å; R225-N227 VanDerWaalsContact O-N 3.12Å; R225-Q228 WeakPolarHBondContact O-CB 3.29Å; R225-Q228 PolarHBondContact O-N 3.37Å |
| 226 | K | 96.1 | Very high | 93.1 | Very high | 155 Ų | 155 | 79.3 Ų | 79.3 | 67% | 0.674 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -58 | -28.8 | 178.8 | -179.6 | 179.5 | 176.6 | -177 | 0 | 112.7 | K222 L223 W224 | K222-K226 VanDerWaalsContact O-CB 3.26Å; K222-K226 WeakPolarHBondContact O-CB 3.32Å; K222-K226 PolarHBondContact O-N 3.16Å; K222-K226 VanDerWaalsContact O-N 3.13Å; L223-K226 PolarHBondContact O-N 3.25Å; W224-K226 PolarHBondContact O-N 3.3Å |
| 227 | N | 95.6 | Very high | 93.1 | Very high | 15 Ų | 15 | 85 Ų | 85 | 8% | 0.08 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 10.9 | -176.2 | -69.9 | -72.1 | 0 | 0 | 0 | 113.5 | L223 W224 R225 R229 F230 R235 V239 | L223-N227 WeakPolarHBondContact O-CB 3.34Å; L223-N227 PolarHBondContact O-N 3.49Å; L223-N227 VanDerWaalsContact O-N 3.13Å; L223-N227 PolarHBondContact O-ND2 2.93Å; W224-N227 CarbonylContact O-C 3.58Å; W224-N227 PolarHBondContact O-N 3.07Å; R225-N227 PolarHBondContact O-N 3.18Å; R225-N227 VanDerWaalsContact O-N 3.12Å; N227-R229 PolarHBondContact O-N 2.97Å; N227-R229 VanDerWaalsContact O-N 3.15Å; N227-F230 HydrophobicContact CB-CD2 3.98Å; N227-F230 PolarHBondContact O-N 2.82Å; N227-F230 VanDerWaalsContact O-N 3.07Å; N227-F230 WeakPolarHBondContact OD1-CE2 3.37Å; N227-R235 HydrophobicContact CB-CG 3.94Å; N227-V239 HydrophobicContact CB-CG2 4.37Å |
| 228 | Q | 91.6 | Very high | 93.5 | Very high | 101 Ų | 101 | 84.5 Ų | 84.5 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -32.7 | -179.4 | -84.6 | 176.6 | -11.9 | 0 | 0 | 114.1 | W224 R225 F230 R235 | W224-Q228 PolarHBondContact O-N 3.41Å; R225-Q228 WeakPolarHBondContact O-CB 3.29Å; R225-Q228 PolarHBondContact O-N 3.37Å; Q228-F230 PolarHBondContact O-N 3.47Å; Q228-R235 PolarHBondContact O-NH2 3Å |
| 229 | R | 93.7 | Very high | 93.6 | Very high | 207 Ų | 207 | 80.6 Ų | 80.6 | 78% | 0.781 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -10.6 | 177.4 | 69 | 179.2 | 179.1 | -177.2 | -1.4 | 115.6 | N227 | N227-R229 PolarHBondContact O-N 2.97Å; N227-R229 VanDerWaalsContact O-N 3.15Å |
| 230 | F | 93.6 | Very high | 93.7 | Very high | 43 Ų | 43 | 81.5 Ų | 81.5 | 19% | 0.189 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -99.6 | 148 | 179.7 | -62.6 | -62.8 | 0 | 0 | 0 | 110.8 | N227 Q228 K234 R235 | N227-F230 HydrophobicContact CB-CD2 3.98Å; N227-F230 PolarHBondContact O-N 2.82Å; N227-F230 VanDerWaalsContact O-N 3.07Å; N227-F230 WeakPolarHBondContact OD1-CE2 3.37Å; Q228-F230 PolarHBondContact O-N 3.47Å; F230-K234 HydrophobicContact CB-CB 4.21Å; F230-K234 HydrophobicContact CB-CD 4.4Å; F230-K234 HydrophobicContact CB-CG 4.19Å; F230-K234 HydrophobicContact CD1-CD 3.82Å; F230-K234 HydrophobicContact CD1-CG 4.28Å; F230-K234 HydrophobicContact CE1-CD 4.42Å; F230-K234 HydrophobicContact CG-CD 4.29Å; F230-K234 HydrophobicContact CG-CG 4.26Å; F230-R235 HydrophobicContact CB-CB 4.36Å; F230-R235 PolarHBondContact O-NE 2.75Å |
| 231 | E | 91 | Very high | 93.8 | Very high | 145 Ų | 145 | 85.9 Ų | 85.9 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | trans | -50.2 | 147.7 | 168.5 | -63.5 | -54.8 | 136.9 | 0 | 0 | 112.2 | A233 K234 R235 | E231-A233 VanDerWaalsContact C-N 3.34Å; E231-A233 PolarHBondContact O-N 2.81Å; E231-A233 VanDerWaalsContact O-N 3.14Å; E231-K234 PolarHBondContact O-N 3.24Å; E231-R235 PolarHBondContact O-N 3.49Å | ||
| 232 | P | 84.1 | Confident | 94 | Very high | 71 Ų | 71 | 83.6 Ų | 83.6 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -49.9 | -45.8 | -170.9 | -30.8 | 35.5 | 0 | 0 | 0 | 114.8 | K234 R235 R236 | P232-K234 PolarHBondContact O-N 3.11Å; P232-R235 PolarHBondContact O-N 3.46Å; P232-R236 WeakPolarHBondContact O-CB 3.48Å; P232-R236 PolarHBondContact O-N 2.72Å |
| 233 | A | 88.1 | Confident | 94 | Very high | 81 Ų | 81 | 76.9 Ų | 76.9 | 67% | 0.669 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E231 Q237 | E231-A233 VanDerWaalsContact C-N 3.34Å; E231-A233 PolarHBondContact O-N 2.81Å; E231-A233 VanDerWaalsContact O-N 3.14Å; A233-Q237 PolarHBondContact O-N 3.29Å |
| 234 | K | 93.2 | Very high | 94 | Very high | 106 Ų | 106 | 82.8 Ų | 82.8 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.3 | -37.3 | 179.5 | -174.4 | 171 | -176.8 | 173.6 | 0 | 111.4 | F230 E231 P232 Q237 K238 | F230-K234 HydrophobicContact CB-CB 4.21Å; F230-K234 HydrophobicContact CB-CD 4.4Å; F230-K234 HydrophobicContact CB-CG 4.19Å; F230-K234 HydrophobicContact CD1-CD 3.82Å; F230-K234 HydrophobicContact CD1-CG 4.28Å; F230-K234 HydrophobicContact CE1-CD 4.42Å; F230-K234 HydrophobicContact CG-CD 4.29Å; F230-K234 HydrophobicContact CG-CG 4.26Å; E231-K234 PolarHBondContact O-N 3.24Å; P232-K234 PolarHBondContact O-N 3.11Å; K234-Q237 PolarHBondContact O-N 2.89Å; K234-K238 WeakPolarHBondContact O-CG 3.48Å; K234-K238 PolarHBondContact O-N 3.06Å |
| 235 | R | 93.4 | Very high | 94.1 | Very high | 31 Ų | 31 | 88 Ų | 88 | 12% | 0.117 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.2 | -53.2 | 172.1 | -173.5 | -171 | -57.4 | 177.6 | 1.4 | 110.4 | W224 N227 Q228 F230 E231 P232 Q237 K238 V239 E264 | W224-R235 HydrophobicContact CE3-CG 4.46Å; W224-R235 HydrophobicContact CH2-CG 4.42Å; W224-R235 HydrophobicContact CZ3-CG 4.39Å; N227-R235 HydrophobicContact CB-CG 3.94Å; Q228-R235 PolarHBondContact O-NH2 3Å; F230-R235 HydrophobicContact CB-CB 4.36Å; F230-R235 PolarHBondContact O-NE 2.75Å; E231-R235 PolarHBondContact O-N 3.49Å; P232-R235 PolarHBondContact O-N 3.46Å; R235-Q237 PolarHBondContact O-N 2.94Å; R235-K238 PolarHBondContact O-N 3.44Å; R235-V239 WeakPolarHBondContact O-CG2 3.12Å; R235-V239 PolarHBondContact O-N 3.16Å; R235-E264 IonicContact NH1-OE1 3.39Å; R235-E264 PolarHBondContact NH1-OE1 3.4Å; R235-E264 VanDerWaalsContact NH1-OE1 3.12Å; R235-E264 IonicContact NH1-OE2 2.64Å; R235-E264 PolarHBondContact NH1-OE2 2.97Å |
| 236 | R | 92.3 | Very high | 94.3 | Very high | 83 Ų | 83 | 81.7 Ų | 81.7 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -52 | -50.9 | 175.2 | 167.3 | 163 | -168.4 | -114.2 | 2 | 111.8 | P232 K238 V239 K240 D254 I257 | P232-R236 WeakPolarHBondContact O-CB 3.48Å; P232-R236 PolarHBondContact O-N 2.72Å; R236-K238 PolarHBondContact O-N 2.84Å; R236-V239 PolarHBondContact O-N 2.94Å; R236-K240 WeakPolarHBondContact O-CB 3.39Å; R236-K240 PolarHBondContact O-N 3.14Å; R236-D254 IonicContact CZ-OD1 3.82Å; R236-D254 IonicContact NH2-OD1 2.9Å; R236-D254 PolarHBondContact NH2-OD1 2.92Å; R236-I257 HydrophobicContact CB-CG2 4.21Å; R236-I257 HydrophobicContact CG-CD1 4.32Å; R236-I257 HydrophobicContact CG-CG2 3.83Å |
| 237 | Q | 95.5 | Very high | 94.2 | Very high | 128 Ų | 128 | 74.9 Ų | 74.9 | 60% | 0.598 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.5 | -46.1 | 179.9 | -173 | -171.8 | 8.4 | 0 | 0 | 112.2 | A233 K234 R235 Q241 | A233-Q237 PolarHBondContact O-N 3.29Å; K234-Q237 PolarHBondContact O-N 2.89Å; R235-Q237 PolarHBondContact O-N 2.94Å; Q237-Q241 VanDerWaalsContact O-CB 3.29Å; Q237-Q241 WeakPolarHBondContact O-CB 3.44Å; Q237-Q241 PolarHBondContact O-N 2.9Å |
| 238 | K | 97.5 | Very high | 94.2 | Very high | 82 Ų | 82 | 74.2 Ų | 74.2 | 36% | 0.357 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | -179 | -74.5 | -71.5 | -179.7 | -172.5 | 0 | 112.6 | K234 R235 R236 S242 | K234-K238 WeakPolarHBondContact O-CG 3.48Å; K234-K238 PolarHBondContact O-N 3.06Å; R235-K238 PolarHBondContact O-N 3.44Å; R236-K238 PolarHBondContact O-N 2.84Å; K238-S242 WeakPolarHBondContact O-CB 3.01Å; K238-S242 PolarHBondContact O-N 3.16Å; K238-S242 VanDerWaalsContact O-N 3.09Å; K238-S242 PolarHBondContact O-OG 3.42Å |
| 239 | V | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.7 | -49.7 | 178 | 175.4 | 0 | 0 | 0 | 0 | 109.8 | L223 W224 N227 R235 R236 Q241 S242 L243 F256 I257 | L223-V239 HydrophobicContact CB-CG1 4.25Å; L223-V239 HydrophobicContact CB-CG2 4.24Å; W224-V239 HydrophobicContact CE3-CB 4.21Å; W224-V239 HydrophobicContact CE3-CG1 4.15Å; W224-V239 HydrophobicContact CE3-CG2 3.81Å; W224-V239 HydrophobicContact CZ3-CG2 4.38Å; N227-V239 HydrophobicContact CB-CG2 4.37Å; R235-V239 WeakPolarHBondContact O-CG2 3.12Å; R235-V239 PolarHBondContact O-N 3.16Å; R236-V239 PolarHBondContact O-N 2.94Å; V239-Q241 PolarHBondContact O-N 3.17Å; V239-S242 PolarHBondContact O-N 3.39Å; V239-S242 VanDerWaalsContact O-N 3.14Å; V239-L243 HydrophobicContact CG1-CD1 3.71Å; V239-L243 HydrophobicContact CG1-CG 4.33Å; V239-L243 WeakPolarHBondContact O-CG 3.3Å; V239-L243 PolarHBondContact O-N 3.28Å; V239-F256 HydrophobicContact CG1-CE1 4.37Å; V239-I257 HydrophobicContact CB-CD1 4.43Å; V239-I257 HydrophobicContact CG1-CD1 4.25Å; V239-I257 HydrophobicContact CG1-CG1 4.2Å |
| 240 | K | 96.3 | Very high | 94 | Very high | 51 Ų | 51 | 67.1 Ų | 67.1 | 22% | 0.222 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.1 | -49.7 | 177.7 | -175.4 | 166.3 | -173.6 | 162.8 | 0 | 112.4 | R236 S242 L243 Y244 L250 I253 D254 I257 | R236-K240 WeakPolarHBondContact O-CB 3.39Å; R236-K240 PolarHBondContact O-N 3.14Å; K240-S242 VanDerWaalsContact C-N 3.34Å; K240-S242 PolarHBondContact O-N 3.13Å; K240-L243 PolarHBondContact O-N 2.98Å; K240-Y244 VanDerWaalsContact O-CB 3.27Å; K240-Y244 WeakPolarHBondContact O-CB 3.32Å; K240-Y244 PolarHBondContact O-N 3.25Å; K240-L250 HydrophobicContact CD-CD1 4.5Å; K240-I253 HydrophobicContact CB-CG2 4.14Å; K240-I253 HydrophobicContact CG-CG2 3.9Å; K240-D254 WeakPolarHBondContact CE-OD1 3.47Å; K240-D254 IonicContact NZ-OD1 3.33Å; K240-D254 PolarHBondContact NZ-OD1 3.29Å; K240-D254 IonicContact NZ-OD2 3.21Å; K240-D254 PolarHBondContact NZ-OD2 3.06Å; K240-I257 HydrophobicContact CB-CD1 3.72Å; K240-I257 HydrophobicContact CG-CD1 4.49Å |
| 241 | Q | 97.4 | Very high | 93.5 | Very high | 91 Ų | 91 | 68.3 Ų | 68.3 | 43% | 0.425 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 177.8 | -176.6 | -179 | 23.4 | 0 | 0 | 112 | Q237 V239 Q245 | Q237-Q241 VanDerWaalsContact O-CB 3.29Å; Q237-Q241 WeakPolarHBondContact O-CB 3.44Å; Q237-Q241 PolarHBondContact O-N 2.9Å; V239-Q241 PolarHBondContact O-N 3.17Å; Q241-Q245 VanDerWaalsContact O-CG 3.28Å; Q241-Q245 WeakPolarHBondContact O-CG 3.15Å; Q241-Q245 PolarHBondContact O-N 2.98Å |
| 242 | S | 97.7 | Very high | 93.2 | Very high | 30 Ų | 30 | 63.4 Ų | 63.4 | 21% | 0.21 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.7 | -41.6 | -176.7 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | K238 V239 K240 Q245 K246 | K238-S242 WeakPolarHBondContact O-CB 3.01Å; K238-S242 PolarHBondContact O-N 3.16Å; K238-S242 VanDerWaalsContact O-N 3.09Å; K238-S242 PolarHBondContact O-OG 3.42Å; V239-S242 PolarHBondContact O-N 3.39Å; V239-S242 VanDerWaalsContact O-N 3.14Å; K240-S242 VanDerWaalsContact C-N 3.34Å; K240-S242 PolarHBondContact O-N 3.13Å; S242-Q245 PolarHBondContact O-N 3.05Å; S242-K246 WeakPolarHBondContact O-CG 3.34Å; S242-K246 PolarHBondContact O-N 2.94Å |
| 243 | L | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.6 | -40.4 | 176.8 | -69.2 | 171.1 | 0 | 0 | 0 | 111.5 | L216 Q219 L223 V239 K240 Q245 K246 G247 F248 I253 F256 | L216-L243 HydrophobicContact CD1-CD1 3.86Å; L216-L243 HydrophobicContact CD1-CD2 4Å; L216-L243 HydrophobicContact CD1-CG 4.37Å; Q219-L243 HydrophobicContact CB-CD2 3.94Å; L223-L243 HydrophobicContact CD1-CD2 3.63Å; L223-L243 HydrophobicContact CD1-CG 3.78Å; V239-L243 HydrophobicContact CG1-CD1 3.71Å; V239-L243 HydrophobicContact CG1-CG 4.33Å; V239-L243 WeakPolarHBondContact O-CG 3.3Å; V239-L243 PolarHBondContact O-N 3.28Å; K240-L243 PolarHBondContact O-N 2.98Å; L243-Q245 VanDerWaalsContact C-N 3.32Å; L243-Q245 PolarHBondContact O-N 3.16Å; L243-K246 CarbonylContact O-C 3.59Å; L243-K246 WeakPolarHBondContact O-CA 3.26Å; L243-K246 WeakPolarHBondContact O-CB 3.5Å; L243-K246 PolarHBondContact O-N 3.22Å; L243-G247 PolarHBondContact O-N 3.46Å; L243-F248 HydrophobicContact CB-CD2 4.19Å; L243-F248 HydrophobicContact CD2-CD2 3.88Å; L243-F248 HydrophobicContact CD2-CE2 4Å; L243-F248 WeakPolarHBondContact O-CD2 3.29Å; L243-F248 PolarHBondContact O-N 3.44Å; L243-I253 HydrophobicContact CB-CD1 3.71Å; L243-I253 HydrophobicContact CB-CG1 3.72Å; L243-I253 HydrophobicContact CB-CG2 4.26Å; L243-I253 HydrophobicContact CD1-CG1 4.27Å; L243-I253 HydrophobicContact CD1-CG2 4.04Å; L243-F256 HydrophobicContact CD1-CD1 4.24Å |
| 244 | Y | 96.8 | Very high | 93.4 | Very high | 141 Ų | 141 | 57 Ų | 57 | 55% | 0.553 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62 | -40.2 | 175.9 | -175 | -99.5 | 0 | 0 | 0 | 112 | K240 K246 G247 L250 | K240-Y244 VanDerWaalsContact O-CB 3.27Å; K240-Y244 WeakPolarHBondContact O-CB 3.32Å; K240-Y244 PolarHBondContact O-N 3.25Å; Y244-K246 PolarHBondContact O-N 2.96Å; Y244-G247 WeakPolarHBondContact O-CA 3.49Å; Y244-G247 PolarHBondContact O-N 2.94Å; Y244-L250 HydrophobicContact CD2-CD1 4.34Å |
| 245 | Q | 96.3 | Very high | 92.8 | Very high | 110 Ų | 110 | 52.4 Ų | 52.4 | 51% | 0.514 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.4 | -24.9 | 173.9 | -74.8 | 175.1 | -4.5 | 0 | 0 | 113.8 | R180 Q241 S242 L243 | R180-Q245 PolarHBondContact NH1-O 2.92Å; R180-Q245 PolarHBondContact NH2-O 3.14Å; R180-Q245 VanDerWaalsContact NH2-O 3.17Å; Q241-Q245 VanDerWaalsContact O-CG 3.28Å; Q241-Q245 WeakPolarHBondContact O-CG 3.15Å; Q241-Q245 PolarHBondContact O-N 2.98Å; S242-Q245 PolarHBondContact O-N 3.05Å; L243-Q245 VanDerWaalsContact C-N 3.32Å; L243-Q245 PolarHBondContact O-N 3.16Å |
| 246 | K | 95.9 | Very high | 92.5 | Very high | 44 Ų | 44 | 52 Ų | 52 | 19% | 0.191 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 6.4 | 169.6 | -68.5 | 177.8 | -179.3 | 179.1 | 0 | 113 | S174 E177 S242 L243 Y244 F248 | S174-K246 PolarHBondContact OG-O 2.71Å; E177-K246 WeakPolarHBondContact CB-O 3.48Å; S242-K246 WeakPolarHBondContact O-CG 3.34Å; S242-K246 PolarHBondContact O-N 2.94Å; L243-K246 CarbonylContact O-C 3.59Å; L243-K246 WeakPolarHBondContact O-CA 3.26Å; L243-K246 WeakPolarHBondContact O-CB 3.5Å; L243-K246 PolarHBondContact O-N 3.22Å; Y244-K246 PolarHBondContact O-N 2.96Å; K246-F248 HydrophobicContact CB-CD2 3.92Å; K246-F248 HydrophobicContact CB-CE2 3.88Å; K246-F248 HydrophobicContact CD-CE2 4.32Å; K246-F248 PolarHBondContact O-N 2.71Å |
| 247 | G | 95.2 | Very high | 92.3 | Very high | 13 Ų | 13 | 48.1 Ų | 48.1 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 11.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S174 L243 Y244 | S174-G247 WeakPolarHBondContact OG-CA 3.49Å; S174-G247 PolarHBondContact OG-O 3.38Å; L243-G247 PolarHBondContact O-N 3.46Å; Y244-G247 WeakPolarHBondContact O-CA 3.49Å; Y244-G247 PolarHBondContact O-N 2.94Å |
| 248 | F | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -71.8 | 154.4 | 171.4 | -64.2 | -75.2 | 0 | 0 | 0 | 111.1 | E212 A215 L216 Q219 L243 K246 I253 | E212-F248 HydrophobicContact CG-CD1 4Å; E212-F248 HydrophobicContact CG-CE1 4.13Å; A215-F248 HydrophobicContact CB-CE1 4.14Å; A215-F248 HydrophobicContact CB-CZ 4.18Å; L216-F248 HydrophobicContact CB-CD1 3.77Å; L216-F248 HydrophobicContact CB-CE1 3.73Å; L216-F248 HydrophobicContact CB-CG 4.42Å; L216-F248 HydrophobicContact CB-CZ 4.36Å; L216-F248 HydrophobicContact CD1-CB 4Å; L216-F248 HydrophobicContact CD1-CD1 3.99Å; L216-F248 HydrophobicContact CD1-CD2 4.08Å; L216-F248 HydrophobicContact CD1-CE1 4.48Å; L216-F248 HydrophobicContact CD1-CG 3.76Å; L216-F248 HydrophobicContact CG-CD1 4.39Å; Q219-F248 HydrophobicContact CB-CE2 4.2Å; Q219-F248 HydrophobicContact CB-CZ 4.44Å; Q219-F248 HydrophobicContact CG-CE2 4.3Å; Q219-F248 HydrophobicContact CG-CZ 4.27Å; L243-F248 HydrophobicContact CB-CD2 4.19Å; L243-F248 HydrophobicContact CD2-CD2 3.88Å; L243-F248 HydrophobicContact CD2-CE2 4Å; L243-F248 WeakPolarHBondContact O-CD2 3.29Å; L243-F248 PolarHBondContact O-N 3.44Å; K246-F248 HydrophobicContact CB-CD2 3.92Å; K246-F248 HydrophobicContact CB-CE2 3.88Å; K246-F248 HydrophobicContact CD-CE2 4.32Å; K246-F248 PolarHBondContact O-N 2.71Å; F248-I253 HydrophobicContact CB-CD1 3.88Å; F248-I253 HydrophobicContact CB-CG1 3.82Å; F248-I253 WeakPolarHBondContact O-CD1 3.47Å | ||
| 249 | Q | 90.4 | Very high | 91 | Very high | 73 Ų | 73 | 39.7 Ų | 39.7 | 34% | 0.341 | 19% | 0.193 | S | C | . | . | trans | -74.9 | 144.5 | -178 | -51 | -162.6 | 12.1 | 0 | 0 | 111.9 | D251 Q252 I253 | Q249-D251 VanDerWaalsContact C-N 3.28Å; Q249-D251 WeakPolarHBondContact CB-OD1 3.38Å; Q249-D251 PolarHBondContact O-N 3.36Å; Q249-Q252 HydrophobicContact CB-CG 4.25Å; Q249-Q252 PolarHBondContact O-N 3.33Å; Q249-I253 WeakPolarHBondContact O-CB 3.43Å; Q249-I253 WeakPolarHBondContact O-CD1 3.41Å; Q249-I253 WeakPolarHBondContact O-CG1 3.47Å; Q249-I253 PolarHBondContact O-N 3.28Å | ||
| 250 | L | 89.8 | Confident | 90.6 | Very high | 86 Ų | 86 | 40.4 Ų | 40.4 | 45% | 0.45 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.6 | -39.6 | -171.9 | -170.8 | 70.8 | 0 | 0 | 0 | 112.3 | K240 Y244 D254 | K240-L250 HydrophobicContact CD-CD1 4.5Å; Y244-L250 HydrophobicContact CD2-CD1 4.34Å; L250-D254 WeakPolarHBondContact O-CB 3.44Å; L250-D254 PolarHBondContact O-N 3.3Å |
| 251 | D | 83.1 | Confident | 90 | Very high | 68 Ų | 68 | 39.8 Ų | 39.8 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.8 | -45.5 | -180 | 58 | -36 | 0 | 0 | 0 | 112.4 | Q249 D254 A255 K480 | Q249-D251 VanDerWaalsContact C-N 3.28Å; Q249-D251 WeakPolarHBondContact CB-OD1 3.38Å; Q249-D251 PolarHBondContact O-N 3.36Å; D251-D254 PolarHBondContact O-N 3.39Å; D251-A255 PolarHBondContact O-N 3.24Å; D251-K480 VanDerWaalsContact CB-NZ 3.31Å; D251-K480 WeakPolarHBondContact O-CE 3.42Å; D251-K480 PolarHBondContact O-NZ 3.48Å |
| 252 | Q | 86.6 | Confident | 89.3 | Confident | 42 Ų | 42 | 35.6 Ų | 35.6 | 20% | 0.196 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 174.9 | -61.2 | 173.3 | -38.6 | 0 | 0 | 111.1 | L216 Q249 D254 A255 F256 | L216-Q252 HydrophobicContact CD2-CB 3.52Å; Q249-Q252 HydrophobicContact CB-CG 4.25Å; Q249-Q252 PolarHBondContact O-N 3.33Å; Q252-D254 VanDerWaalsContact C-N 3.34Å; Q252-D254 PolarHBondContact O-N 2.78Å; Q252-A255 PolarHBondContact O-N 3.13Å; Q252-F256 PolarHBondContact O-N 3.35Å |
| 253 | I | 89.5 | Confident | 88.7 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.9 | -46.8 | 175.7 | -69.5 | 165 | 0 | 0 | 0 | 110.8 | L216 K240 L243 F248 Q249 I257 | L216-I253 HydrophobicContact CD1-CG1 4.14Å; K240-I253 HydrophobicContact CB-CG2 4.14Å; K240-I253 HydrophobicContact CG-CG2 3.9Å; L243-I253 HydrophobicContact CB-CD1 3.71Å; L243-I253 HydrophobicContact CB-CG1 3.72Å; L243-I253 HydrophobicContact CB-CG2 4.26Å; L243-I253 HydrophobicContact CD1-CG1 4.27Å; L243-I253 HydrophobicContact CD1-CG2 4.04Å; F248-I253 HydrophobicContact CB-CD1 3.88Å; F248-I253 HydrophobicContact CB-CG1 3.82Å; F248-I253 WeakPolarHBondContact O-CD1 3.47Å; Q249-I253 WeakPolarHBondContact O-CB 3.43Å; Q249-I253 WeakPolarHBondContact O-CD1 3.41Å; Q249-I253 WeakPolarHBondContact O-CG1 3.47Å; Q249-I253 PolarHBondContact O-N 3.28Å; I253-I257 HydrophobicContact CG2-CD1 3.83Å; I253-I257 VanDerWaalsContact O-CG1 3.3Å; I253-I257 WeakPolarHBondContact O-CG1 3.06Å; I253-I257 PolarHBondContact O-N 2.9Å |
| 254 | D | 85.9 | Confident | 88.2 | Confident | 19 Ų | 19 | 37.8 Ų | 37.8 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -48.2 | 177.7 | -82.1 | -43.3 | 0 | 0 | 0 | 109.9 | R236 K240 L250 D251 Q252 F256 I257 H258 K480 | R236-D254 IonicContact CZ-OD1 3.82Å; R236-D254 IonicContact NH2-OD1 2.9Å; R236-D254 PolarHBondContact NH2-OD1 2.92Å; K240-D254 WeakPolarHBondContact CE-OD1 3.47Å; K240-D254 IonicContact NZ-OD1 3.33Å; K240-D254 PolarHBondContact NZ-OD1 3.29Å; K240-D254 IonicContact NZ-OD2 3.21Å; K240-D254 PolarHBondContact NZ-OD2 3.06Å; L250-D254 WeakPolarHBondContact O-CB 3.44Å; L250-D254 PolarHBondContact O-N 3.3Å; D251-D254 PolarHBondContact O-N 3.39Å; Q252-D254 VanDerWaalsContact C-N 3.34Å; Q252-D254 PolarHBondContact O-N 2.78Å; D254-F256 PolarHBondContact O-N 3.2Å; D254-I257 PolarHBondContact O-N 2.85Å; D254-I257 VanDerWaalsContact O-N 3.13Å; D254-H258 PolarHBondContact O-CD2 2.95Å; D254-H258 PolarHBondContact O-N 3.25Å; D254-K480 HydrophobicContact CB-CD 4.22Å; D254-K480 HydrophobicContact CB-CG 4.47Å |
| 255 | A | 80.3 | Confident | 87.4 | Confident | 9 Ų | 9 | 31.4 Ų | 31.4 | 7% | 0.074 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.7 | -49.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D251 Q252 I257 H258 V259 | D251-A255 PolarHBondContact O-N 3.24Å; Q252-A255 PolarHBondContact O-N 3.13Å; A255-I257 PolarHBondContact O-N 3.23Å; A255-H258 PolarHBondContact O-N 3.37Å; A255-V259 WeakPolarHBondContact O-CG2 3.25Å; A255-V259 PolarHBondContact O-N 3.43Å |
| 256 | F | 88.1 | Confident | 86.7 | Confident | 23 Ų | 23 | 26.1 Ų | 26.1 | 10% | 0.101 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54.1 | -49.4 | 174.7 | 168.2 | -95.2 | 0 | 0 | 0 | 112.1 | L216 G220 E221 V239 L243 Q252 D254 H258 V259 E260 | L216-F256 HydrophobicContact CD2-CB 4.42Å; G220-F256 VanDerWaalsContact C-CE1 3.46Å; G220-F256 VanDerWaalsContact CA-CE1 3.42Å; G220-F256 VanDerWaalsContact CA-CZ 3.42Å; E221-F256 VanDerWaalsContact N-CZ 3.28Å; V239-F256 HydrophobicContact CG1-CE1 4.37Å; L243-F256 HydrophobicContact CD1-CD1 4.24Å; Q252-F256 PolarHBondContact O-N 3.35Å; D254-F256 PolarHBondContact O-N 3.2Å; F256-H258 VanDerWaalsContact C-N 3.33Å; F256-H258 PolarHBondContact O-N 3.42Å; F256-V259 PolarHBondContact O-N 3.35Å; F256-E260 HydrophobicContact CD2-CG 4.47Å; F256-E260 HydrophobicContact CE1-CG 4.02Å; F256-E260 HydrophobicContact CE2-CG 3.81Å; F256-E260 HydrophobicContact CZ-CG 3.52Å; F256-E260 PolarHBondContact O-N 3.37Å |
| 257 | I | 88.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | -179.6 | -73.4 | 172.5 | 0 | 0 | 0 | 111 | W224 R236 V239 K240 I253 D254 A255 E260 Q261 | W224-I257 HydrophobicContact CH2-CG2 4.16Å; W224-I257 HydrophobicContact CZ3-CB 4.34Å; W224-I257 HydrophobicContact CZ3-CG1 4.09Å; W224-I257 HydrophobicContact CZ3-CG2 3.88Å; R236-I257 HydrophobicContact CB-CG2 4.21Å; R236-I257 HydrophobicContact CG-CD1 4.32Å; R236-I257 HydrophobicContact CG-CG2 3.83Å; V239-I257 HydrophobicContact CB-CD1 4.43Å; V239-I257 HydrophobicContact CG1-CD1 4.25Å; V239-I257 HydrophobicContact CG1-CG1 4.2Å; K240-I257 HydrophobicContact CB-CD1 3.72Å; K240-I257 HydrophobicContact CG-CD1 4.49Å; I253-I257 HydrophobicContact CG2-CD1 3.83Å; I253-I257 VanDerWaalsContact O-CG1 3.3Å; I253-I257 WeakPolarHBondContact O-CG1 3.06Å; I253-I257 PolarHBondContact O-N 2.9Å; D254-I257 PolarHBondContact O-N 2.85Å; D254-I257 VanDerWaalsContact O-N 3.13Å; A255-I257 PolarHBondContact O-N 3.23Å; I257-E260 PolarHBondContact O-N 3.31Å; I257-Q261 HydrophobicContact CG2-CG 4.4Å; I257-Q261 VanDerWaalsContact O-CG 3.29Å; I257-Q261 WeakPolarHBondContact O-CG 3.35Å; I257-Q261 PolarHBondContact O-N 2.99Å |
| 258 | H | 82 | Confident | 85.8 | Confident | 14 Ų | 14 | 29.1 Ų | 29.1 | 7% | 0.065 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -46.9 | 179.8 | -72.9 | -68.5 | 0 | 0 | 0 | 110.7 | D254 A255 F256 E260 Q261 F262 L479 K480 V483 | D254-H258 PolarHBondContact O-CD2 2.95Å; D254-H258 PolarHBondContact O-N 3.25Å; A255-H258 PolarHBondContact O-N 3.37Å; F256-H258 VanDerWaalsContact C-N 3.33Å; F256-H258 PolarHBondContact O-N 3.42Å; H258-E260 PolarHBondContact O-N 3.22Å; H258-Q261 PolarHBondContact O-N 2.91Å; H258-Q261 VanDerWaalsContact O-N 3.16Å; H258-F262 PolarHBondContact O-N 3.31Å; H258-L479 VanDerWaalsContact CB-O 3.28Å; H258-L479 WeakPolarHBondContact CB-O 3.46Å; H258-K480 VanDerWaalsContact CD2-CG 3.49Å; H258-K480 WeakPolarHBondContact CD2-CG 3.49Å; H258-K480 PolarHBondContact CE1-O 2.85Å; H258-K480 PolarHBondContact ND1-O 3.11Å; H258-V483 HydrophobicContact CB-CB 4.43Å; H258-V483 HydrophobicContact CB-CG1 3.91Å; H258-V483 WeakPolarHBondContact O-CG1 3.26Å |
| 259 | V | 83.6 | Confident | 85.1 | Confident | 19 Ų | 19 | 30.4 Ų | 30.4 | 12% | 0.115 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.4 | -47.4 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | A255 F256 Q261 F262 Q263 I426 L479 | A255-V259 WeakPolarHBondContact O-CG2 3.25Å; A255-V259 PolarHBondContact O-N 3.43Å; F256-V259 PolarHBondContact O-N 3.35Å; V259-Q261 PolarHBondContact O-N 3.34Å; V259-F262 PolarHBondContact O-N 3.35Å; V259-Q263 HydrophobicContact CG1-CG 4.33Å; V259-Q263 WeakPolarHBondContact O-CB 3.42Å; V259-Q263 VanDerWaalsContact O-CG 3.3Å; V259-Q263 WeakPolarHBondContact O-CG 3.19Å; V259-Q263 PolarHBondContact O-N 2.96Å; V259-I426 HydrophobicContact CG2-CG2 4.44Å; V259-L479 HydrophobicContact CG2-CD1 4.1Å; V259-L479 HydrophobicContact CG2-CD2 4.01Å |
| 260 | E | 88.2 | Confident | 84.7 | Confident | 16 Ų | 16 | 27 Ų | 27 | 8% | 0.075 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 177 | -77.1 | -76.4 | 170.9 | 0 | 0 | 112.2 | W224 F256 I257 H258 Q263 E264 K430 | W224-E260 HydrophobicContact CD2-CB 4.08Å; W224-E260 HydrophobicContact CD2-CG 4.43Å; W224-E260 HydrophobicContact CE3-CB 4.49Å; W224-E260 HydrophobicContact CG-CB 4.49Å; W224-E260 HydrophobicContact CG-CG 4.44Å; W224-E260 HydrophobicContact CZ2-CB 4.15Å; F256-E260 HydrophobicContact CD2-CG 4.47Å; F256-E260 HydrophobicContact CE1-CG 4.02Å; F256-E260 HydrophobicContact CE2-CG 3.81Å; F256-E260 HydrophobicContact CZ-CG 3.52Å; F256-E260 PolarHBondContact O-N 3.37Å; I257-E260 PolarHBondContact O-N 3.31Å; H258-E260 PolarHBondContact O-N 3.22Å; E260-Q263 PolarHBondContact O-N 2.93Å; E260-E264 WeakPolarHBondContact O-CG 3.25Å; E260-E264 PolarHBondContact O-N 3.42Å; E260-K430 VanDerWaalsContact CD-NZ 3.3Å; E260-K430 IonicContact OE1-NZ 2.76Å; E260-K430 PolarHBondContact OE1-NZ 2.99Å; E260-K430 IonicContact OE2-NZ 2.95Å; E260-K430 PolarHBondContact OE2-NZ 3.26Å |
| 261 | Q | 84.2 | Confident | 84.5 | Confident | 38 Ų | 38 | 26.8 Ų | 26.8 | 18% | 0.178 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 176.9 | -70.5 | -174.7 | -75.4 | 0 | 0 | 112.4 | W224 I257 H258 V259 A265 V487 | W224-Q261 HydrophobicContact CH2-CG 3.49Å; W224-Q261 VanDerWaalsContact CH2-CG 3.49Å; W224-Q261 HydrophobicContact CZ2-CG 3.78Å; I257-Q261 HydrophobicContact CG2-CG 4.4Å; I257-Q261 VanDerWaalsContact O-CG 3.29Å; I257-Q261 WeakPolarHBondContact O-CG 3.35Å; I257-Q261 PolarHBondContact O-N 2.99Å; H258-Q261 PolarHBondContact O-N 2.91Å; H258-Q261 VanDerWaalsContact O-N 3.16Å; V259-Q261 PolarHBondContact O-N 3.34Å; Q261-A265 WeakPolarHBondContact O-CB 3.46Å; Q261-A265 PolarHBondContact O-N 3.43Å; Q261-V487 HydrophobicContact CB-CG2 4.47Å |
| 262 | F | 81.2 | Confident | 84.2 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62 | -50.1 | 174.6 | 163.4 | -114.7 | 0 | 0 | 0 | 111.1 | H258 V259 E264 A265 F266 I426 F435 V483 L486 V487 | H258-F262 PolarHBondContact O-N 3.31Å; V259-F262 PolarHBondContact O-N 3.35Å; F262-E264 VanDerWaalsContact C-N 3.33Å; F262-E264 PolarHBondContact O-N 3.36Å; F262-A265 PolarHBondContact O-N 3.03Å; F262-F266 HydrophobicContact CD2-CB 4.07Å; F262-F266 HydrophobicContact CE2-CB 3.69Å; F262-F266 HydrophobicContact CE2-CD1 4.28Å; F262-F266 HydrophobicContact CE2-CD2 4.14Å; F262-F266 AromaticContact CE2-CG 3.79Å; F262-F266 HydrophobicContact CE2-CG 3.79Å; F262-F266 HydrophobicContact CZ-CB 4.13Å; F262-F266 AromaticContact CZ-CD1 3.96Å; F262-F266 HydrophobicContact CZ-CD1 3.96Å; F262-F266 AromaticContact CZ-CG 3.95Å; F262-F266 HydrophobicContact CZ-CG 3.95Å; F262-F266 WeakPolarHBondContact O-CB 3.3Å; F262-F266 PolarHBondContact O-N 3.27Å; F262-I426 HydrophobicContact CD1-CB 4.23Å; F262-I426 HydrophobicContact CD1-CG2 4.37Å; F262-I426 HydrophobicContact CE1-CB 3.89Å; F262-I426 HydrophobicContact CE1-CD1 3.92Å; F262-I426 HydrophobicContact CE1-CG1 4.4Å; F262-I426 HydrophobicContact CE1-CG2 4.35Å; F262-I426 HydrophobicContact CZ-CD1 4.37Å; F262-F435 HydrophobicContact CD1-CE2 4.4Å; F262-F435 AromaticContact CE1-CE2 3.55Å; F262-F435 HydrophobicContact CE1-CE2 3.55Å; F262-F435 AromaticContact CE1-CZ 3.62Å; F262-F435 HydrophobicContact CE1-CZ 3.62Å; F262-F435 AromaticContact CZ-CE2 3.98Å; F262-F435 HydrophobicContact CZ-CE2 3.98Å; F262-F435 HydrophobicContact CZ-CZ 4.02Å; F262-V483 HydrophobicContact CB-CB 4.22Å; F262-V483 HydrophobicContact CB-CG1 3.45Å; F262-V483 VanDerWaalsContact CB-CG1 3.45Å; F262-V483 HydrophobicContact CB-CG2 3.95Å; F262-V483 HydrophobicContact CG-CG1 4.46Å; F262-V483 HydrophobicContact CG-CG2 4.22Å; F262-L486 HydrophobicContact CD2-CD2 3.53Å; F262-L486 HydrophobicContact CE2-CD2 3.17Å; F262-L486 HydrophobicContact CZ-CD2 4.33Å; F262-V487 HydrophobicContact CB-CG2 4.43Å |
| 263 | Q | 86.7 | Confident | 83.7 | Confident | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | -179.7 | -72.7 | 175.5 | 2.3 | 0 | 0 | 111.5 | V259 E260 L267 I426 I427 F435 | V259-Q263 HydrophobicContact CG1-CG 4.33Å; V259-Q263 WeakPolarHBondContact O-CB 3.42Å; V259-Q263 VanDerWaalsContact O-CG 3.3Å; V259-Q263 WeakPolarHBondContact O-CG 3.19Å; V259-Q263 PolarHBondContact O-N 2.96Å; E260-Q263 PolarHBondContact O-N 2.93Å; Q263-L267 VanDerWaalsContact O-CB 3.24Å; Q263-L267 WeakPolarHBondContact O-CB 3.45Å; Q263-L267 WeakPolarHBondContact O-CD1 3.35Å; Q263-L267 WeakPolarHBondContact O-CG 3.49Å; Q263-L267 PolarHBondContact O-N 3.44Å; Q263-I426 WeakPolarHBondContact CG-O 3.24Å; Q263-I426 PolarHBondContact NE2-O 2.78Å; Q263-I427 PolarHBondContact NE2-O 3.4Å; Q263-F435 HydrophobicContact CG-CE2 4.29Å |
| 264 | E | 85.6 | Confident | 83.3 | Confident | 64 Ų | 64 | 37.4 Ų | 37.4 | 30% | 0.299 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.5 | -53.9 | 176.9 | -75.8 | -175.9 | 162.1 | 0 | 0 | 111.4 | W224 R235 E260 F262 F266 L267 E268 | W224-E264 VanDerWaalsContact NE1-CD 3.26Å; W224-E264 PolarHBondContact NE1-OE1 2.88Å; W224-E264 PolarHBondContact NE1-OE2 3.39Å; R235-E264 IonicContact NH1-OE1 3.39Å; R235-E264 PolarHBondContact NH1-OE1 3.4Å; R235-E264 VanDerWaalsContact NH1-OE1 3.12Å; R235-E264 IonicContact NH1-OE2 2.64Å; R235-E264 PolarHBondContact NH1-OE2 2.97Å; E260-E264 WeakPolarHBondContact O-CG 3.25Å; E260-E264 PolarHBondContact O-N 3.42Å; F262-E264 VanDerWaalsContact C-N 3.33Å; F262-E264 PolarHBondContact O-N 3.36Å; E264-F266 PolarHBondContact O-N 3.05Å; E264-L267 PolarHBondContact O-N 3.42Å; E264-E268 WeakPolarHBondContact O-CB 3.49Å; E264-E268 PolarHBondContact O-N 2.81Å |
| 265 | A | 80.1 | Confident | 83 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 5% | 0.05 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q261 F262 E268 W269 V487 I490 | Q261-A265 WeakPolarHBondContact O-CB 3.46Å; Q261-A265 PolarHBondContact O-N 3.43Å; F262-A265 PolarHBondContact O-N 3.03Å; A265-E268 PolarHBondContact O-N 3.13Å; A265-W269 PolarHBondContact O-N 2.9Å; A265-V487 HydrophobicContact CB-CB 4.48Å; A265-V487 HydrophobicContact CB-CG1 4.25Å; A265-V487 HydrophobicContact CB-CG2 4.06Å; A265-I490 HydrophobicContact CB-CB 4.4Å; A265-I490 HydrophobicContact CB-CD1 3.98Å; A265-I490 HydrophobicContact CB-CG2 4.13Å; A265-I490 WeakPolarHBondContact O-CG2 3.07Å |
| 266 | F | 82.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.7 | -40.4 | -177 | -173.1 | -121.9 | 0 | 0 | 0 | 112.3 | F262 E264 W269 Y270 F435 A438 M439 L442 I490 | F262-F266 HydrophobicContact CD2-CB 4.07Å; F262-F266 HydrophobicContact CE2-CB 3.69Å; F262-F266 HydrophobicContact CE2-CD1 4.28Å; F262-F266 HydrophobicContact CE2-CD2 4.14Å; F262-F266 AromaticContact CE2-CG 3.79Å; F262-F266 HydrophobicContact CE2-CG 3.79Å; F262-F266 HydrophobicContact CZ-CB 4.13Å; F262-F266 AromaticContact CZ-CD1 3.96Å; F262-F266 HydrophobicContact CZ-CD1 3.96Å; F262-F266 AromaticContact CZ-CG 3.95Å; F262-F266 HydrophobicContact CZ-CG 3.95Å; F262-F266 WeakPolarHBondContact O-CB 3.3Å; F262-F266 PolarHBondContact O-N 3.27Å; E264-F266 PolarHBondContact O-N 3.05Å; F266-W269 AromaticContact CD2-CE3 3.88Å; F266-W269 HydrophobicContact CD2-CE3 3.88Å; F266-W269 HydrophobicContact CD2-CZ3 4.3Å; F266-W269 AromaticContact CE2-CE3 3.67Å; F266-W269 HydrophobicContact CE2-CE3 3.67Å; F266-W269 AromaticContact CE2-CZ3 3.61Å; F266-W269 HydrophobicContact CE2-CZ3 3.61Å; F266-W269 HydrophobicContact CZ-CE3 4.47Å; F266-W269 HydrophobicContact CZ-CZ3 4.13Å; F266-Y270 WeakPolarHBondContact O-CB 3.48Å; F266-Y270 PolarHBondContact O-N 3.13Å; F266-F435 AromaticContact CD1-CD2 3.86Å; F266-F435 HydrophobicContact CD1-CD2 3.86Å; F266-F435 AromaticContact CD1-CE2 3.64Å; F266-F435 HydrophobicContact CD1-CE2 3.64Å; F266-F435 HydrophobicContact CD1-CZ 4.31Å; F266-F435 HydrophobicContact CE1-CD2 4.26Å; F266-F435 HydrophobicContact CE1-CE2 4.09Å; F266-F435 HydrophobicContact CE1-CZ 4.36Å; F266-A438 HydrophobicContact CD1-CB 4.1Å; F266-A438 HydrophobicContact CE1-CB 3.38Å; F266-A438 HydrophobicContact CE2-CB 4.37Å; F266-A438 HydrophobicContact CZ-CB 3.55Å; F266-M439 HydrophobicContact CE1-CG 3.86Å; F266-M439 HydrophobicContact CE1-SD 3.69Å; F266-M439 HydrophobicContact CZ-CG 4.15Å; F266-M439 HydrophobicContact CZ-SD 3.69Å; F266-L442 HydrophobicContact CE2-CD2 3.86Å; F266-L442 HydrophobicContact CZ-CD2 4.27Å; F266-I490 HydrophobicContact CB-CD1 4.18Å; F266-I490 HydrophobicContact CD2-CD1 4.29Å |
| 267 | L | 87.5 | Confident | 83.3 | Confident | 10 Ų | 10 | 47.5 Ų | 47.5 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.6 | -36.5 | 175.3 | -69.1 | 168.9 | 0 | 0 | 0 | 111.5 | Q263 E264 Y270 Q271 Q431 D434 F435 | Q263-L267 VanDerWaalsContact O-CB 3.24Å; Q263-L267 WeakPolarHBondContact O-CB 3.45Å; Q263-L267 WeakPolarHBondContact O-CD1 3.35Å; Q263-L267 WeakPolarHBondContact O-CG 3.49Å; Q263-L267 PolarHBondContact O-N 3.44Å; E264-L267 PolarHBondContact O-N 3.42Å; L267-Y270 PolarHBondContact O-N 3.17Å; L267-Q271 WeakPolarHBondContact O-CG 3.42Å; L267-Q271 PolarHBondContact O-N 3.15Å; L267-Q431 HydrophobicContact CD1-CB 3.9Å; L267-Q431 HydrophobicContact CD2-CB 4.38Å; L267-D434 HydrophobicContact CD2-CB 3.91Å; L267-F435 HydrophobicContact CD2-CB 4.13Å |
| 268 | E | 83.4 | Confident | 83.5 | Confident | 110 Ų | 110 | 48 Ų | 48 | 51% | 0.514 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 174 | -177 | 169.2 | -163.3 | 0 | 0 | 111.6 | E264 A265 Y270 Q271 Q272 | E264-E268 WeakPolarHBondContact O-CB 3.49Å; E264-E268 PolarHBondContact O-N 2.81Å; A265-E268 PolarHBondContact O-N 3.13Å; E268-Y270 VanDerWaalsContact C-N 3.32Å; E268-Y270 PolarHBondContact O-N 2.94Å; E268-Q271 PolarHBondContact O-N 2.98Å; E268-Q272 WeakPolarHBondContact O-CG 3.18Å; E268-Q272 PolarHBondContact O-N 2.85Å |
| 269 | W | 80 | Confident | 84 | Confident | 26 Ų | 26 | 47.9 Ų | 47.9 | 10% | 0.098 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.7 | -48.1 | 170.8 | 167.5 | 75.8 | 0 | 0 | 0 | 111.7 | A265 F266 Q271 Q272 E273 A438 L442 I490 | A265-W269 PolarHBondContact O-N 2.9Å; F266-W269 AromaticContact CD2-CE3 3.88Å; F266-W269 HydrophobicContact CD2-CE3 3.88Å; F266-W269 HydrophobicContact CD2-CZ3 4.3Å; F266-W269 AromaticContact CE2-CE3 3.67Å; F266-W269 HydrophobicContact CE2-CE3 3.67Å; F266-W269 AromaticContact CE2-CZ3 3.61Å; F266-W269 HydrophobicContact CE2-CZ3 3.61Å; F266-W269 HydrophobicContact CZ-CE3 4.47Å; F266-W269 HydrophobicContact CZ-CZ3 4.13Å; W269-Q271 VanDerWaalsContact C-N 3.3Å; W269-Q271 PolarHBondContact O-N 3.49Å; W269-Q272 PolarHBondContact O-N 3.36Å; W269-E273 HydrophobicContact CZ2-CB 4.26Å; W269-E273 PolarHBondContact O-N 3.44Å; W269-A438 HydrophobicContact CZ3-CB 4.28Å; W269-L442 HydrophobicContact CH2-CB 3.9Å; W269-L442 HydrophobicContact CH2-CD1 4.18Å; W269-L442 HydrophobicContact CZ2-CD1 4.4Å; W269-L442 HydrophobicContact CZ3-CB 4.24Å; W269-I490 HydrophobicContact CB-CG1 4.44Å; W269-I490 HydrophobicContact CB-CG2 3.79Å |
| 270 | Y | 83 | Confident | 84.4 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.2 | -39.3 | 179.9 | -178.6 | -113.7 | 0 | 0 | 0 | 111.9 | F266 L267 E268 Q272 E273 K274 R280 D434 Q437 A438 D441 | F266-Y270 WeakPolarHBondContact O-CB 3.48Å; F266-Y270 PolarHBondContact O-N 3.13Å; L267-Y270 PolarHBondContact O-N 3.17Å; E268-Y270 VanDerWaalsContact C-N 3.32Å; E268-Y270 PolarHBondContact O-N 2.94Å; Y270-Q272 PolarHBondContact O-N 2.96Å; Y270-E273 PolarHBondContact O-N 3.22Å; Y270-K274 HydrophobicContact CD1-CB 4.38Å; Y270-K274 HydrophobicContact CD1-CD 4.22Å; Y270-K274 HydrophobicContact CD2-CB 3.82Å; Y270-K274 HydrophobicContact CE1-CB 4.06Å; Y270-K274 HydrophobicContact CE1-CD 3.84Å; Y270-K274 HydrophobicContact CE2-CB 3.47Å; Y270-K274 VanDerWaalsContact CE2-CB 3.47Å; Y270-K274 HydrophobicContact CG-CB 4.27Å; Y270-K274 WeakPolarHBondContact O-CA 3.25Å; Y270-K274 WeakPolarHBondContact O-CB 3.3Å; Y270-K274 VanDerWaalsContact O-CG 3.25Å; Y270-K274 WeakPolarHBondContact O-CG 3.39Å; Y270-K274 PolarHBondContact O-N 3.24Å; Y270-R280 PolarHBondContact OH-NH1 3.43Å; Y270-R280 VanDerWaalsContact OH-NH1 3.09Å; Y270-D434 HydrophobicContact CD1-CB 4.07Å; Y270-D434 HydrophobicContact CE1-CB 4.01Å; Y270-Q437 HydrophobicContact CE1-CB 4.38Å; Y270-Q437 HydrophobicContact CE2-CB 4.34Å; Y270-Q437 VanDerWaalsContact OH-CB 3.25Å; Y270-Q437 WeakPolarHBondContact OH-CB 3.23Å; Y270-A438 HydrophobicContact CD1-CB 4.17Å; Y270-A438 VanDerWaalsContact CD2-CA 3.42Å; Y270-A438 HydrophobicContact CD2-CB 3.47Å; Y270-A438 VanDerWaalsContact CD2-CB 3.47Å; Y270-A438 HydrophobicContact CE2-CB 4.12Å; Y270-A438 HydrophobicContact CG-CB 3.49Å; Y270-A438 VanDerWaalsContact CG-CB 3.49Å; Y270-D441 HydrophobicContact CE2-CB 4.34Å |
| 271 | Q | 84.8 | Confident | 84.4 | Confident | 80 Ų | 80 | 57.8 Ų | 57.8 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.2 | -31.6 | 176.3 | -66.5 | -49.1 | -44 | 0 | 0 | 112.8 | L267 E268 W269 D434 | L267-Q271 WeakPolarHBondContact O-CG 3.42Å; L267-Q271 PolarHBondContact O-N 3.15Å; E268-Q271 PolarHBondContact O-N 2.98Å; W269-Q271 VanDerWaalsContact C-N 3.3Å; W269-Q271 PolarHBondContact O-N 3.49Å; Q271-D434 PolarHBondContact NE2-OD2 3.31Å |
| 272 | Q | 77.5 | Confident | 84.7 | Confident | 122 Ų | 122 | 59.2 Ų | 59.2 | 57% | 0.57 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -80.3 | -39.1 | 179 | -64 | 173.8 | 10.2 | 0 | 0 | 112.3 | E268 W269 Y270 | E268-Q272 WeakPolarHBondContact O-CG 3.18Å; E268-Q272 PolarHBondContact O-N 2.85Å; W269-Q272 PolarHBondContact O-N 3.36Å; Y270-Q272 PolarHBondContact O-N 2.96Å |
| 273 | E | 76.4 | Confident | 85.3 | Confident | 125 Ų | 125 | 64.2 Ų | 64.2 | 58% | 0.584 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -105.6 | -8.5 | -168.7 | -65.4 | -64 | 144.4 | 0 | 0 | 114.7 | W269 Y270 R275 | W269-E273 HydrophobicContact CZ2-CB 4.26Å; W269-E273 PolarHBondContact O-N 3.44Å; Y270-E273 PolarHBondContact O-N 3.22Å; E273-R275 PolarHBondContact O-N 2.88Å |
| 274 | K | 80.3 | Confident | 85.8 | Confident | 87 Ų | 87 | 66.3 Ų | 66.3 | 38% | 0.378 | 31% | 0.305 | S | S | . | . | trans | -59.8 | 139.9 | -175.3 | 63.6 | -172.6 | -174.4 | -176.3 | 0 | 112.4 | Y270 | Y270-K274 HydrophobicContact CD1-CB 4.38Å; Y270-K274 HydrophobicContact CD1-CD 4.22Å; Y270-K274 HydrophobicContact CD2-CB 3.82Å; Y270-K274 HydrophobicContact CE1-CB 4.06Å; Y270-K274 HydrophobicContact CE1-CD 3.84Å; Y270-K274 HydrophobicContact CE2-CB 3.47Å; Y270-K274 VanDerWaalsContact CE2-CB 3.47Å; Y270-K274 HydrophobicContact CG-CB 4.27Å; Y270-K274 WeakPolarHBondContact O-CA 3.25Å; Y270-K274 WeakPolarHBondContact O-CB 3.3Å; Y270-K274 VanDerWaalsContact O-CG 3.25Å; Y270-K274 WeakPolarHBondContact O-CG 3.39Å; Y270-K274 PolarHBondContact O-N 3.24Å | ||
| 275 | R | 80.1 | Confident | 86.4 | Confident | 91 Ų | 91 | 64.4 Ų | 64.4 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | trans | -71 | 136.9 | 175.3 | -61.4 | 176.1 | -68.4 | 175.6 | -1.6 | 110.9 | E273 L277 R280 D441 | E273-R275 PolarHBondContact O-N 2.88Å; R275-L277 HydrophobicContact CB-CD1 4.17Å; R275-L277 HydrophobicContact CB-CD2 4.42Å; R275-L277 HydrophobicContact CB-CG 3.97Å; R275-L277 PolarHBondContact O-N 2.93Å; R275-R280 PolarHBondContact O-NH1 2.99Å; R275-D441 IonicContact CZ-OD1 2.73Å; R275-D441 IonicContact NE-OD1 3.08Å; R275-D441 IonicContact NE-OD2 3.69Å; R275-D441 IonicContact NH2-OD1 2.89Å; R275-D441 PolarHBondContact NH2-OD1 3.2Å | ||
| 276 | N | 84.6 | Confident | 87.2 | Confident | 162 Ų | 162 | 64.3 Ų | 64.3 | 87% | 0.866 | 30% | 0.297 | S | S | * | . | trans | -78.8 | 101.6 | 169.9 | -170.2 | 5.7 | 0 | 0 | 0 | 109.7 | ||||
| 277 | L | 89.8 | Confident | 87.9 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | trans | -118.3 | 142.5 | -176.2 | -64.3 | 170.9 | 0 | 0 | 0 | 110.7 | R275 W279 R280 V300 I304 | R275-L277 HydrophobicContact CB-CD1 4.17Å; R275-L277 HydrophobicContact CB-CD2 4.42Å; R275-L277 HydrophobicContact CB-CG 3.97Å; R275-L277 PolarHBondContact O-N 2.93Å; L277-W279 VanDerWaalsContact C-N 3.25Å; L277-W279 HydrophobicContact CB-CD2 4.17Å; L277-W279 HydrophobicContact CB-CZ2 4Å; L277-W279 HydrophobicContact CD1-CZ2 3.73Å; L277-W279 HydrophobicContact CD2-CH2 4.25Å; L277-W279 HydrophobicContact CD2-CZ2 3.96Å; L277-W279 HydrophobicContact CG-CZ2 4.11Å; L277-W279 PolarHBondContact O-N 3.39Å; L277-W279 VanDerWaalsContact O-N 3.14Å; L277-R280 HydrophobicContact CB-CG 4.17Å; L277-R280 WeakPolarHBondContact O-CB 3.44Å; L277-R280 PolarHBondContact O-N 2.97Å; L277-V300 HydrophobicContact CD2-CG1 3.62Å; L277-I304 HydrophobicContact CD2-CD1 4.36Å | ||
| 278 | P | 92 | Very high | 88.4 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 8% | 0.078 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -57.7 | -35 | -173.4 | -24.3 | 31.9 | 0 | 0 | 0 | 114.4 | R280 Y281 R287 I304 F307 Y308 | P278-R280 VanDerWaalsContact C-N 3.3Å; P278-Y281 WeakPolarHBondContact O-CB 3.24Å; P278-Y281 PolarHBondContact O-N 3.25Å; P278-R287 PolarHBondContact O-NH2 3.45Å; P278-I304 HydrophobicContact CG-CG1 4.45Å; P278-I304 HydrophobicContact CG-CG2 4.02Å; P278-F307 HydrophobicContact CB-CD1 3.75Å; P278-F307 HydrophobicContact CB-CE1 3.93Å; P278-Y308 HydrophobicContact CB-CE1 4.06Å; P278-Y308 HydrophobicContact CB-CE2 4.15Å; P278-Y308 HydrophobicContact CG-CD2 4.43Å; P278-Y308 HydrophobicContact CG-CE1 4.4Å; P278-Y308 HydrophobicContact CG-CE2 3.61Å |
| 279 | W | 93.2 | Very high | 89.1 | Confident | 11 Ų | 11 | 61 Ų | 61 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -78.1 | -10.9 | 178.4 | 49.5 | 89 | 0 | 0 | 0 | 114 | L277 S291 L295 V300 V303 I304 F307 | L277-W279 VanDerWaalsContact C-N 3.25Å; L277-W279 HydrophobicContact CB-CD2 4.17Å; L277-W279 HydrophobicContact CB-CZ2 4Å; L277-W279 HydrophobicContact CD1-CZ2 3.73Å; L277-W279 HydrophobicContact CD2-CH2 4.25Å; L277-W279 HydrophobicContact CD2-CZ2 3.96Å; L277-W279 HydrophobicContact CG-CZ2 4.11Å; L277-W279 PolarHBondContact O-N 3.39Å; L277-W279 VanDerWaalsContact O-N 3.14Å; W279-S291 VanDerWaalsContact CB-CB 3.41Å; W279-S291 VanDerWaalsContact CB-OG 3.3Å; W279-S291 WeakPolarHBondContact CB-OG 3.42Å; W279-L295 HydrophobicContact CH2-CD2 4.22Å; W279-L295 HydrophobicContact CZ2-CD1 3.81Å; W279-L295 HydrophobicContact CZ2-CD2 4.04Å; W279-L295 HydrophobicContact CZ2-CG 4.34Å; W279-V300 HydrophobicContact CH2-CG1 4.07Å; W279-V300 HydrophobicContact CZ2-CG1 4.12Å; W279-V303 HydrophobicContact CH2-CB 4.27Å; W279-V303 HydrophobicContact CH2-CG1 3.96Å; W279-V303 HydrophobicContact CZ3-CB 4.41Å; W279-V303 HydrophobicContact CZ3-CG1 3.75Å; W279-I304 HydrophobicContact CH2-CG1 4.01Å; W279-I304 HydrophobicContact CZ3-CG1 4.05Å; W279-F307 HydrophobicContact CB-CE1 4.27Å; W279-F307 HydrophobicContact CB-CE2 4.03Å; W279-F307 HydrophobicContact CB-CZ 3.81Å; W279-F307 HydrophobicContact CE3-CB 4.28Å; W279-F307 HydrophobicContact CE3-CD1 4.21Å; W279-F307 HydrophobicContact CE3-CD2 4.19Å; W279-F307 AromaticContact CE3-CG 3.96Å; W279-F307 HydrophobicContact CE3-CG 3.96Å; W279-F307 HydrophobicContact CZ3-CB 4.33Å; W279-F307 HydrophobicContact CZ3-CG 4.49Å |
| 280 | R | 91.5 | Very high | 89.9 | Confident | 56 Ų | 56 | 59.7 Ų | 59.7 | 21% | 0.211 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -91.1 | 1 | 173.1 | -65.3 | -175.1 | 173.8 | 169.2 | -0.3 | 113.4 | Y270 R275 L277 P278 N282 D441 | Y270-R280 PolarHBondContact OH-NH1 3.43Å; Y270-R280 VanDerWaalsContact OH-NH1 3.09Å; R275-R280 PolarHBondContact O-NH1 2.99Å; L277-R280 HydrophobicContact CB-CG 4.17Å; L277-R280 WeakPolarHBondContact O-CB 3.44Å; L277-R280 PolarHBondContact O-N 2.97Å; P278-R280 VanDerWaalsContact C-N 3.3Å; R280-N282 PolarHBondContact O-N 2.85Å; R280-D441 IonicContact CZ-OD1 2.62Å; R280-D441 IonicContact CZ-OD2 2.7Å; R280-D441 IonicContact NH1-OD1 2.76Å; R280-D441 IonicContact NH1-OD2 3.17Å; R280-D441 PolarHBondContact NH1-OD2 3.29Å; R280-D441 IonicContact NH2-OD1 3.83Å; R280-D441 PolarHBondContact NH2-OD1 3.3Å; R280-D441 IonicContact NH2-OD2 2.69Å; R280-D441 PolarHBondContact NH2-OD2 3.35Å |
| 281 | Y | 88.3 | Confident | 90.5 | Very high | 187 Ų | 187 | 59.6 Ų | 59.6 | 73% | 0.733 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -60.1 | -34.8 | -178.6 | 175 | -104.6 | 0 | 0 | 0 | 113 | P278 | P278-Y281 WeakPolarHBondContact O-CB 3.24Å; P278-Y281 PolarHBondContact O-N 3.25Å |
| 282 | N | 90.9 | Very high | 91 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -149.8 | 174 | 176.6 | 60.9 | 16.8 | 0 | 0 | 0 | 109.9 | R280 D284 R287 | R280-N282 PolarHBondContact O-N 2.85Å; N282-D284 VanDerWaalsContact C-N 3.27Å; N282-D284 PolarHBondContact O-N 3.27Å; N282-D284 WeakPolarHBondContact OD1-CB 3.42Å; N282-D284 PolarHBondContact OD1-N 2.9Å; N282-R287 WeakPolarHBondContact OD1-CD 3.28Å; N282-R287 PolarHBondContact OD1-NE 3.38Å |
| 283 | Q | 93.6 | Very high | 91.9 | Very high | 108 Ų | 108 | 51 Ų | 51 | 51% | 0.505 | 23% | 0.234 | S | C | . | . | trans | -91.7 | 28.8 | 179.6 | -67.2 | 174.5 | -24.8 | 0 | 0 | 112.5 | P285 | Q283-P285 WeakPolarHBondContact O-CD 3.48Š| ||
| 284 | D | 96.7 | Very high | 92.8 | Very high | 56 Ų | 56 | 45 Ų | 45 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | trans | -68.4 | 117.3 | -179.9 | 176.5 | 1.3 | 0 | 0 | 0 | 110.4 | N282 Y286 R287 I288 | N282-D284 VanDerWaalsContact C-N 3.27Å; N282-D284 PolarHBondContact O-N 3.27Å; N282-D284 WeakPolarHBondContact OD1-CB 3.42Å; N282-D284 PolarHBondContact OD1-N 2.9Å; D284-Y286 PolarHBondContact O-N 3.48Å; D284-Y286 WeakPolarHBondContact OD1-CB 3.4Å; D284-Y286 PolarHBondContact OD1-N 2.86Å; D284-R287 HydrophobicContact CB-CB 4.15Å; D284-R287 HydrophobicContact CB-CG 4.04Å; D284-R287 PolarHBondContact O-N 3.3Å; D284-R287 VanDerWaalsContact O-N 3.11Å; D284-R287 WeakPolarHBondContact OD2-CD 3.13Å; D284-R287 WeakPolarHBondContact OD2-CG 3.26Å; D284-I288 WeakPolarHBondContact O-CD1 3.4Å; D284-I288 WeakPolarHBondContact O-CG1 3.37Å; D284-I288 PolarHBondContact O-N 3.07Å | ||
| 285 | P | 97.6 | Very high | 93.3 | Very high | 24 Ų | 24 | 42.9 Ų | 42.9 | 16% | 0.156 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.5 | -31.2 | -177 | 23.7 | -34.4 | 0 | 0 | 0 | 112.9 | Q283 W289 F359 I380 A384 F385 | Q283-P285 WeakPolarHBondContact O-CD 3.48Å; P285-W289 WeakPolarHBondContact O-CB 3.45Å; P285-W289 PolarHBondContact O-N 2.71Å; P285-F359 HydrophobicContact CB-CB 4.05Å; P285-F359 HydrophobicContact CB-CD1 3.82Å; P285-F359 HydrophobicContact CB-CD2 4.21Å; P285-F359 HydrophobicContact CB-CE1 4.38Å; P285-F359 HydrophobicContact CB-CG 3.75Å; P285-F359 HydrophobicContact CG-CB 3.81Å; P285-F359 HydrophobicContact CG-CD1 4.5Å; P285-F359 HydrophobicContact CG-CG 4.08Å; P285-I380 HydrophobicContact CB-CG2 4.45Å; P285-A384 HydrophobicContact CB-CB 3.76Å; P285-F385 HydrophobicContact CB-CE2 4.15Å; P285-F385 HydrophobicContact CB-CZ 3.74Å; P285-F385 HydrophobicContact CG-CE1 4.31Å; P285-F385 HydrophobicContact CG-CZ 3.86Å |
| 286 | Y | 97.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65 | -47.5 | 177.2 | 176.7 | -115.5 | 0 | 0 | 0 | 111 | D284 I288 W289 I290 M311 F314 I317 L320 | D284-Y286 PolarHBondContact O-N 3.48Å; D284-Y286 WeakPolarHBondContact OD1-CB 3.4Å; D284-Y286 PolarHBondContact OD1-N 2.86Å; Y286-I288 PolarHBondContact O-N 3.45Å; Y286-W289 AromaticContact CD2-CE3 3.79Å; Y286-W289 HydrophobicContact CD2-CE3 3.79Å; Y286-W289 AromaticContact CD2-CZ3 3.93Å; Y286-W289 HydrophobicContact CD2-CZ3 3.93Å; Y286-W289 HydrophobicContact CE2-CE3 4.07Å; Y286-W289 AromaticContact CE2-CZ3 3.88Å; Y286-W289 HydrophobicContact CE2-CZ3 3.88Å; Y286-W289 PolarHBondContact O-N 3.5Å; Y286-I290 HydrophobicContact CD2-CG1 4.12Å; Y286-I290 HydrophobicContact CE1-CG1 4.35Å; Y286-I290 HydrophobicContact CE2-CD1 3.89Å; Y286-I290 HydrophobicContact CE2-CG1 3.72Å; Y286-I290 VanDerWaalsContact O-CG1 3.27Å; Y286-I290 WeakPolarHBondContact O-CG1 3.21Å; Y286-I290 PolarHBondContact O-N 2.84Å; Y286-M311 HydrophobicContact CD1-CE 4.47Å; Y286-M311 HydrophobicContact CD1-SD 4.37Å; Y286-M311 HydrophobicContact CE1-CE 3.86Å; Y286-M311 HydrophobicContact CE1-SD 4.03Å; Y286-F314 WeakPolarHBondContact CE1-O 3.44Å; Y286-F314 PolarHBondContact OH-O 2.66Å; Y286-I317 HydrophobicContact CD2-CB 4.48Å; Y286-I317 HydrophobicContact CD2-CG1 3.5Å; Y286-I317 VanDerWaalsContact CD2-CG1 3.5Å; Y286-I317 HydrophobicContact CE2-CG1 4.16Å; Y286-I317 HydrophobicContact CG-CG1 4Å; Y286-L320 HydrophobicContact CE2-CD2 3.97Å |
| 287 | R | 97.3 | Very high | 93.6 | Very high | 44 Ų | 44 | 40.2 Ų | 40.2 | 17% | 0.166 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 179.7 | -69.5 | 175 | 64 | 82.8 | -3.5 | 111.5 | P278 N282 D284 I290 S291 F307 M311 | P278-R287 PolarHBondContact O-NH2 3.45Å; N282-R287 WeakPolarHBondContact OD1-CD 3.28Å; N282-R287 PolarHBondContact OD1-NE 3.38Å; D284-R287 HydrophobicContact CB-CB 4.15Å; D284-R287 HydrophobicContact CB-CG 4.04Å; D284-R287 PolarHBondContact O-N 3.3Å; D284-R287 VanDerWaalsContact O-N 3.11Å; D284-R287 WeakPolarHBondContact OD2-CD 3.13Å; D284-R287 WeakPolarHBondContact OD2-CG 3.26Å; R287-I290 PolarHBondContact O-N 2.79Å; R287-S291 PolarHBondContact O-N 3.42Å; R287-S291 PolarHBondContact O-OG 3.39Å; R287-F307 HydrophobicContact CB-CZ 4.06Å; R287-F307 HydrophobicContact CG-CZ 4.35Å; R287-F307 WeakPolarHBondContact O-CE2 3.49Å; R287-M311 HydrophobicContact CG-SD 3.91Å |
| 288 | I | 97 | Very high | 93.4 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 178.1 | -65.6 | 158.6 | 0 | 0 | 0 | 110.2 | D284 Y286 I290 S291 E292 I380 I383 A384 | D284-I288 WeakPolarHBondContact O-CD1 3.4Å; D284-I288 WeakPolarHBondContact O-CG1 3.37Å; D284-I288 PolarHBondContact O-N 3.07Å; Y286-I288 PolarHBondContact O-N 3.45Å; I288-I290 PolarHBondContact O-N 2.97Å; I288-S291 PolarHBondContact O-N 3.47Å; I288-S291 PolarHBondContact O-OG 3.16Å; I288-E292 HydrophobicContact CG2-CG 4.32Å; I288-E292 WeakPolarHBondContact O-CB 3.1Å; I288-E292 WeakPolarHBondContact O-CG 3.37Å; I288-E292 PolarHBondContact O-N 3.26Å; I288-I380 HydrophobicContact CG2-CG1 4.17Å; I288-I383 HydrophobicContact CD1-CB 4.01Å; I288-I383 HydrophobicContact CD1-CG2 3.44Å; I288-I383 VanDerWaalsContact CD1-CG2 3.44Å; I288-I383 HydrophobicContact CG1-CG2 4Å; I288-I383 HydrophobicContact CG2-CB 4.35Å; I288-I383 HydrophobicContact CG2-CD1 4.25Å; I288-I383 HydrophobicContact CG2-CG2 4.47Å; I288-A384 HydrophobicContact CD1-CB 3.72Å |
| 289 | W | 97.9 | Very high | 93 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 178.7 | 169.7 | 50 | 0 | 0 | 0 | 112.4 | P285 Y286 S291 E292 I293 L320 L344 A347 A348 F359 I380 | P285-W289 WeakPolarHBondContact O-CB 3.45Å; P285-W289 PolarHBondContact O-N 2.71Å; Y286-W289 AromaticContact CD2-CE3 3.79Å; Y286-W289 HydrophobicContact CD2-CE3 3.79Å; Y286-W289 AromaticContact CD2-CZ3 3.93Å; Y286-W289 HydrophobicContact CD2-CZ3 3.93Å; Y286-W289 HydrophobicContact CE2-CE3 4.07Å; Y286-W289 AromaticContact CE2-CZ3 3.88Å; Y286-W289 HydrophobicContact CE2-CZ3 3.88Å; Y286-W289 PolarHBondContact O-N 3.5Å; W289-S291 PolarHBondContact O-N 3.4Å; W289-E292 PolarHBondContact O-N 3.45Å; W289-I293 WeakPolarHBondContact O-CG1 3.39Å; W289-I293 PolarHBondContact O-N 2.9Å; W289-I293 VanDerWaalsContact O-N 3.08Å; W289-L320 HydrophobicContact CH2-CD2 4.14Å; W289-L320 HydrophobicContact CZ3-CD2 4.02Å; W289-L344 HydrophobicContact CD2-CD2 3.91Å; W289-L344 HydrophobicContact CE3-CD2 4.38Å; W289-L344 HydrophobicContact CH2-CB 4.49Å; W289-L344 HydrophobicContact CH2-CD2 3.85Å; W289-L344 WeakPolarHBondContact CH2-O 3.35Å; W289-L344 HydrophobicContact CZ2-CB 4.33Å; W289-L344 HydrophobicContact CZ2-CD2 3.24Å; W289-L344 HydrophobicContact CZ2-CG 4.37Å; W289-L344 HydrophobicContact CZ3-CD2 4.37Å; W289-A347 HydrophobicContact CH2-CB 4.08Å; W289-A347 HydrophobicContact CZ2-CB 3.62Å; W289-A348 HydrophobicContact CH2-CB 4.1Å; W289-A348 HydrophobicContact CZ3-CB 4.48Å; W289-F359 HydrophobicContact CB-CE2 3.97Å; W289-F359 HydrophobicContact CB-CZ 4.03Å; W289-F359 AromaticContact CD2-CE2 3.97Å; W289-F359 HydrophobicContact CD2-CE2 3.97Å; W289-F359 HydrophobicContact CD2-CZ 4.41Å; W289-F359 AromaticContact CE3-CE2 3.9Å; W289-F359 HydrophobicContact CE3-CE2 3.9Å; W289-F359 HydrophobicContact CG-CE2 4.04Å; W289-F359 HydrophobicContact CG-CZ 4.12Å; W289-I380 HydrophobicContact CB-CD1 3.77Å; W289-I380 HydrophobicContact CB-CG1 4.3Å; W289-I380 HydrophobicContact CG-CD1 4.07Å |
| 290 | I | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 178.8 | -63.6 | -63.4 | 0 | 0 | 0 | 111.1 | Y286 R287 I288 I293 M294 F307 F310 M311 L320 L344 | Y286-I290 HydrophobicContact CD2-CG1 4.12Å; Y286-I290 HydrophobicContact CE1-CG1 4.35Å; Y286-I290 HydrophobicContact CE2-CD1 3.89Å; Y286-I290 HydrophobicContact CE2-CG1 3.72Å; Y286-I290 VanDerWaalsContact O-CG1 3.27Å; Y286-I290 WeakPolarHBondContact O-CG1 3.21Å; Y286-I290 PolarHBondContact O-N 2.84Å; R287-I290 PolarHBondContact O-N 2.79Å; I288-I290 PolarHBondContact O-N 2.97Å; I290-I293 PolarHBondContact O-N 3.32Å; I290-M294 HydrophobicContact CG2-CE 3.88Å; I290-M294 HydrophobicContact CG2-CG 4.43Å; I290-M294 HydrophobicContact CG2-SD 4.13Å; I290-M294 WeakPolarHBondContact O-CG 3.46Å; I290-M294 PolarHBondContact O-N 2.81Å; I290-F307 HydrophobicContact CB-CE2 4.37Å; I290-F307 HydrophobicContact CG2-CD2 4.23Å; I290-F307 HydrophobicContact CG2-CE2 4.26Å; I290-F310 HydrophobicContact CD1-CE1 3.81Å; I290-F310 HydrophobicContact CD1-CZ 4.21Å; I290-F310 HydrophobicContact CG1-CE1 4.29Å; I290-F310 HydrophobicContact CG2-CD1 3.94Å; I290-F310 HydrophobicContact CG2-CE1 4.11Å; I290-F310 HydrophobicContact CG2-CG 4.4Å; I290-M311 HydrophobicContact CB-CE 3.73Å; I290-M311 HydrophobicContact CG1-CE 3.8Å; I290-M311 HydrophobicContact CG2-CE 3.57Å; I290-L320 HydrophobicContact CD1-CD2 3.87Å; I290-L344 HydrophobicContact CD1-CD1 3.95Å; I290-L344 HydrophobicContact CD1-CD2 3.73Å; I290-L344 HydrophobicContact CD1-CG 4.38Å |
| 291 | S | 96.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 177.2 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | W279 R287 I288 W289 I293 M294 L295 | W279-S291 VanDerWaalsContact CB-CB 3.41Å; W279-S291 VanDerWaalsContact CB-OG 3.3Å; W279-S291 WeakPolarHBondContact CB-OG 3.42Å; R287-S291 PolarHBondContact O-N 3.42Å; R287-S291 PolarHBondContact O-OG 3.39Å; I288-S291 PolarHBondContact O-N 3.47Å; I288-S291 PolarHBondContact O-OG 3.16Å; W289-S291 PolarHBondContact O-N 3.4Å; S291-I293 VanDerWaalsContact C-N 3.31Å; S291-I293 PolarHBondContact O-N 3.39Å; S291-M294 PolarHBondContact O-N 3.41Å; S291-L295 WeakPolarHBondContact O-CB 3.37Å; S291-L295 WeakPolarHBondContact O-CD1 3.34Å; S291-L295 VanDerWaalsContact O-CG 3.24Å; S291-L295 WeakPolarHBondContact O-CG 3.48Å; S291-L295 PolarHBondContact O-N 3.13Å |
| 292 | E | 95.2 | Very high | 92.4 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 179.2 | -74.7 | -52.5 | 122.3 | 0 | 0 | 111.5 | I288 W289 Q296 Y375 T376 A379 | I288-E292 HydrophobicContact CG2-CG 4.32Å; I288-E292 WeakPolarHBondContact O-CB 3.1Å; I288-E292 WeakPolarHBondContact O-CG 3.37Å; I288-E292 PolarHBondContact O-N 3.26Å; W289-E292 PolarHBondContact O-N 3.45Å; E292-Q296 WeakPolarHBondContact O-CG 3.43Å; E292-Q296 PolarHBondContact O-N 3.19Å; E292-Y375 VanDerWaalsContact OE2-CE1 3.23Å; E292-Y375 WeakPolarHBondContact OE2-CE1 3.25Å; E292-Y375 VanDerWaalsContact OE2-CZ 3.29Å; E292-Y375 PolarHBondContact OE2-OH 3.37Å; E292-T376 HydrophobicContact CB-CG2 4.18Å; E292-A379 HydrophobicContact CG-CB 4.1Å |
| 293 | I | 96.1 | Very high | 92.5 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.7 | -38.1 | 177.1 | -61 | -56 | 0 | 0 | 0 | 111.7 | W289 I290 S291 Q296 W332 R340 L344 T376 | W289-I293 WeakPolarHBondContact O-CG1 3.39Å; W289-I293 PolarHBondContact O-N 2.9Å; W289-I293 VanDerWaalsContact O-N 3.08Å; I290-I293 PolarHBondContact O-N 3.32Å; S291-I293 VanDerWaalsContact C-N 3.31Å; S291-I293 PolarHBondContact O-N 3.39Å; I293-Q296 WeakPolarHBondContact O-CB 3.28Å; I293-Q296 PolarHBondContact O-N 3.32Å; I293-W332 HydrophobicContact CG2-CH2 4.16Å; I293-R340 HydrophobicContact CG2-CB 3.82Å; I293-R340 HydrophobicContact CG2-CG 4.28Å; I293-R340 PolarHBondContact O-NH1 3.14Å; I293-L344 HydrophobicContact CB-CD1 4.21Å; I293-L344 HydrophobicContact CB-CD2 3.87Å; I293-L344 HydrophobicContact CB-CG 4.19Å; I293-L344 HydrophobicContact CG1-CD2 3.61Å; I293-L344 HydrophobicContact CG1-CG 4.31Å; I293-L344 HydrophobicContact CG2-CD1 3.87Å; I293-L344 HydrophobicContact CG2-CD2 4.04Å; I293-L344 HydrophobicContact CG2-CG 3.81Å; I293-T376 HydrophobicContact CD1-CG2 4.12Å |
| 294 | M | 95.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 176.8 | -74.3 | -175.9 | 171.1 | 0 | 0 | 112.5 | I290 S291 Q296 T298 V303 F307 F310 W332 L335 R340 | I290-M294 HydrophobicContact CG2-CE 3.88Å; I290-M294 HydrophobicContact CG2-CG 4.43Å; I290-M294 HydrophobicContact CG2-SD 4.13Å; I290-M294 WeakPolarHBondContact O-CG 3.46Å; I290-M294 PolarHBondContact O-N 2.81Å; S291-M294 PolarHBondContact O-N 3.41Å; M294-Q296 PolarHBondContact O-N 3.13Å; M294-T298 VanDerWaalsContact O-CB 3.29Å; M294-T298 WeakPolarHBondContact O-CB 3.29Å; M294-T298 PolarHBondContact O-OG1 2.9Å; M294-V303 HydrophobicContact CB-CG1 3.59Å; M294-V303 HydrophobicContact CB-CG2 4.12Å; M294-V303 HydrophobicContact CG-CG1 4.45Å; M294-V303 HydrophobicContact SD-CG1 4.04Å; M294-F307 HydrophobicContact SD-CB 4.14Å; M294-F307 HydrophobicContact SD-CD2 4.29Å; M294-F310 HydrophobicContact CE-CB 3.56Å; M294-F310 HydrophobicContact CE-CD1 4.42Å; M294-F310 HydrophobicContact CE-CD2 3.47Å; M294-F310 VanDerWaalsContact CE-CD2 3.47Å; M294-F310 HydrophobicContact CE-CE2 4.24Å; M294-F310 HydrophobicContact CE-CG 3.57Å; M294-W332 HydrophobicContact CB-CH2 4.4Å; M294-W332 HydrophobicContact CE-CE3 4.17Å; M294-W332 HydrophobicContact CE-CH2 4.49Å; M294-W332 HydrophobicContact CE-CZ3 3.69Å; M294-W332 HydrophobicContact CG-CH2 3.54Å; M294-W332 HydrophobicContact CG-CZ2 4.5Å; M294-W332 HydrophobicContact CG-CZ3 3.69Å; M294-L335 HydrophobicContact CE-CD1 4.16Å; M294-L335 HydrophobicContact CG-CD1 4.05Å; M294-L335 HydrophobicContact SD-CD1 4.31Å; M294-R340 PolarHBondContact O-NH1 2.89Å |
| 295 | L | 91.5 | Very high | 92.3 | Very high | 41 Ų | 41 | 43 Ų | 43 | 22% | 0.215 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69 | -16 | -178.5 | -72.7 | 166.9 | 0 | 0 | 0 | 113.6 | W279 S291 Q297 T298 V300 V303 | W279-L295 HydrophobicContact CH2-CD2 4.22Å; W279-L295 HydrophobicContact CZ2-CD1 3.81Å; W279-L295 HydrophobicContact CZ2-CD2 4.04Å; W279-L295 HydrophobicContact CZ2-CG 4.34Å; S291-L295 WeakPolarHBondContact O-CB 3.37Å; S291-L295 WeakPolarHBondContact O-CD1 3.34Å; S291-L295 VanDerWaalsContact O-CG 3.24Å; S291-L295 WeakPolarHBondContact O-CG 3.48Å; S291-L295 PolarHBondContact O-N 3.13Å; L295-Q297 PolarHBondContact O-N 3.48Å; L295-T298 PolarHBondContact O-N 3.04Å; L295-V300 HydrophobicContact CD2-CB 4.32Å; L295-V300 HydrophobicContact CD2-CG2 3.68Å; L295-V303 HydrophobicContact CD2-CB 4.12Å; L295-V303 HydrophobicContact CD2-CG1 4.29Å; L295-V303 HydrophobicContact CD2-CG2 3.99Å; L295-V303 HydrophobicContact CG-CG1 4.35Å; L295-V303 HydrophobicContact CG-CG2 4.47Å |
| 296 | Q | 88.7 | Confident | 92.3 | Very high | 61 Ų | 61 | 43.7 Ų | 43.7 | 29% | 0.285 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 113.4 | 171.6 | -71.1 | 173.8 | 6.4 | 0 | 0 | 110.4 | E292 I293 M294 T298 R340 T376 | E292-Q296 WeakPolarHBondContact O-CG 3.43Å; E292-Q296 PolarHBondContact O-N 3.19Å; I293-Q296 WeakPolarHBondContact O-CB 3.28Å; I293-Q296 PolarHBondContact O-N 3.32Å; M294-Q296 PolarHBondContact O-N 3.13Å; Q296-T298 PolarHBondContact O-N 3.12Å; Q296-T298 VanDerWaalsContact O-N 3.15Å; Q296-R340 VanDerWaalsContact O-CZ 3.23Å; Q296-R340 PolarHBondContact O-NH1 3.25Å; Q296-T376 PolarHBondContact NE2-OG1 3.22Å |
| 297 | Q | 80.7 | Confident | 92.2 | Very high | 137 Ų | 137 | 43.5 Ų | 43.5 | 64% | 0.64 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 22.4 | 176.9 | -45 | -179.5 | 37.2 | 0 | 0 | 113.7 | L295 Y337 | L295-Q297 PolarHBondContact O-N 3.48Å; Q297-Y337 HydrophobicContact CB-CD2 4.33Å; Q297-Y337 HydrophobicContact CB-CE2 4.01Å; Q297-Y337 PolarHBondContact OE1-OH 2.89Å; Q297-Y337 VanDerWaalsContact OE1-OH 3.05Å |
| 298 | T | 86 | Confident | 92.2 | Very high | 25 Ų | 25 | 47.8 Ų | 47.8 | 15% | 0.153 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -137.3 | 135.9 | 174.6 | -47 | 0 | 0 | 0 | 0 | 109.4 | M294 L295 Q296 T302 V303 L335 R340 | M294-T298 VanDerWaalsContact O-CB 3.29Å; M294-T298 WeakPolarHBondContact O-CB 3.29Å; M294-T298 PolarHBondContact O-OG1 2.9Å; L295-T298 PolarHBondContact O-N 3.04Å; Q296-T298 PolarHBondContact O-N 3.12Å; Q296-T298 VanDerWaalsContact O-N 3.15Å; T298-T302 HydrophobicContact CG2-CG2 4.1Å; T298-V303 HydrophobicContact CG2-CG2 3.74Å; T298-L335 HydrophobicContact CG2-CD2 3.65Å; T298-L335 PolarHBondContact OG1-O 2.81Å; T298-R340 PolarHBondContact OG1-NH2 2.72Å |
| 299 | R | 83.2 | Confident | 92.2 | Very high | 188 Ų | 188 | 53 Ų | 53 | 71% | 0.709 | 25% | 0.245 | S | C | * | . | trans | -69.4 | 145.5 | -177.6 | -64.5 | -175.6 | -64.2 | 166.9 | 0.7 | 111.5 | D301 T302 V303 | R299-D301 VanDerWaalsContact C-N 3.35Å; R299-D301 PolarHBondContact O-N 3.46Å; R299-T302 WeakPolarHBondContact O-CB 3.35Å; R299-T302 PolarHBondContact O-N 2.75Å; R299-V303 PolarHBondContact O-N 3.09Å; R299-V303 VanDerWaalsContact O-N 3.1Å | ||
| 300 | V | 85 | Confident | 92.2 | Very high | 29 Ų | 29 | 53 Ų | 53 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -50 | -51 | -179.6 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | L277 W279 L295 T302 V303 I304 | L277-V300 HydrophobicContact CD2-CG1 3.62Å; W279-V300 HydrophobicContact CH2-CG1 4.07Å; W279-V300 HydrophobicContact CZ2-CG1 4.12Å; L295-V300 HydrophobicContact CD2-CB 4.32Å; L295-V300 HydrophobicContact CD2-CG2 3.68Å; V300-T302 PolarHBondContact O-N 3.26Å; V300-V303 PolarHBondContact O-N 3.41Å; V300-I304 HydrophobicContact CG1-CD1 4.47Å; V300-I304 PolarHBondContact O-N 3.48Å |
| 301 | D | 85.9 | Confident | 92.1 | Very high | 122 Ų | 122 | 54 Ų | 54 | 65% | 0.652 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -59.1 | -34 | -177.1 | -53.9 | -30.2 | 0 | 0 | 0 | 112.5 | R299 | R299-D301 VanDerWaalsContact C-N 3.35Å; R299-D301 PolarHBondContact O-N 3.46Å |
| 302 | T | 89.6 | Confident | 92.2 | Very high | 51 Ų | 51 | 60.9 Ų | 60.9 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -73.7 | -39.5 | 175.6 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | T298 R299 V300 I304 Y306 | T298-T302 HydrophobicContact CG2-CG2 4.1Å; R299-T302 WeakPolarHBondContact O-CB 3.35Å; R299-T302 PolarHBondContact O-N 2.75Å; V300-T302 PolarHBondContact O-N 3.26Å; T302-I304 VanDerWaalsContact C-N 3.31Å; T302-I304 PolarHBondContact O-N 3.01Å; T302-Y306 HydrophobicContact CG2-CD2 4.41Å; T302-Y306 HydrophobicContact CG2-CE2 4.13Å; T302-Y306 VanDerWaalsContact O-CD2 3.26Å; T302-Y306 WeakPolarHBondContact O-CD2 3.3Å |
| 303 | V | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.6 | -30.7 | -175.5 | 171.5 | 0 | 0 | 0 | 0 | 112.6 | W279 M294 L295 T298 R299 V300 D305 Y306 F307 L335 | W279-V303 HydrophobicContact CH2-CB 4.27Å; W279-V303 HydrophobicContact CH2-CG1 3.96Å; W279-V303 HydrophobicContact CZ3-CB 4.41Å; W279-V303 HydrophobicContact CZ3-CG1 3.75Å; M294-V303 HydrophobicContact CB-CG1 3.59Å; M294-V303 HydrophobicContact CB-CG2 4.12Å; M294-V303 HydrophobicContact CG-CG1 4.45Å; M294-V303 HydrophobicContact SD-CG1 4.04Å; L295-V303 HydrophobicContact CD2-CB 4.12Å; L295-V303 HydrophobicContact CD2-CG1 4.29Å; L295-V303 HydrophobicContact CD2-CG2 3.99Å; L295-V303 HydrophobicContact CG-CG1 4.35Å; L295-V303 HydrophobicContact CG-CG2 4.47Å; T298-V303 HydrophobicContact CG2-CG2 3.74Å; R299-V303 PolarHBondContact O-N 3.09Å; R299-V303 VanDerWaalsContact O-N 3.1Å; V300-V303 PolarHBondContact O-N 3.41Å; V303-D305 PolarHBondContact O-N 3.42Å; V303-Y306 PolarHBondContact O-N 3.41Å; V303-F307 HydrophobicContact CG1-CB 4.44Å; V303-F307 WeakPolarHBondContact O-CB 3.32Å; V303-F307 PolarHBondContact O-N 3.39Å; V303-L335 HydrophobicContact CG2-CD2 4.47Å |
| 304 | I | 92.5 | Very high | 92.4 | Very high | 44 Ų | 44 | 63.8 Ų | 63.8 | 23% | 0.226 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -52.1 | -53.4 | -175.9 | -69.8 | 168.3 | 0 | 0 | 0 | 112.3 | L277 P278 W279 V300 T302 Y306 F307 Y308 | L277-I304 HydrophobicContact CD2-CD1 4.36Å; P278-I304 HydrophobicContact CG-CG1 4.45Å; P278-I304 HydrophobicContact CG-CG2 4.02Å; W279-I304 HydrophobicContact CH2-CG1 4.01Å; W279-I304 HydrophobicContact CZ3-CG1 4.05Å; V300-I304 HydrophobicContact CG1-CD1 4.47Å; V300-I304 PolarHBondContact O-N 3.48Å; T302-I304 VanDerWaalsContact C-N 3.31Å; T302-I304 PolarHBondContact O-N 3.01Å; I304-Y306 VanDerWaalsContact C-N 3.34Å; I304-Y306 PolarHBondContact O-N 2.88Å; I304-F307 PolarHBondContact O-N 2.96Å; I304-Y308 HydrophobicContact CG2-CD2 4.08Å; I304-Y308 HydrophobicContact CG2-CE2 3.81Å; I304-Y308 VanDerWaalsContact O-CD2 3.27Å; I304-Y308 WeakPolarHBondContact O-CD2 3.23Å; I304-Y308 PolarHBondContact O-N 2.75Å; I304-Y308 VanDerWaalsContact O-N 3.16Å |
| 305 | D | 94.5 | Very high | 92.5 | Very high | 104 Ų | 104 | 67.3 Ų | 67.3 | 56% | 0.556 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -69.4 | -33 | -177.4 | -68.4 | -19.7 | 0 | 0 | 0 | 112.8 | V303 R309 | V303-D305 PolarHBondContact O-N 3.42Å; D305-R309 WeakPolarHBondContact O-CG 3.23Å; D305-R309 PolarHBondContact O-N 2.82Å; D305-R309 PolarHBondContact O-NE 3.46Å |
| 306 | Y | 96.7 | Very high | 92.8 | Very high | 40 Ų | 40 | 68.6 Ų | 68.6 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.2 | -40.6 | 175.4 | -78.2 | -97.4 | 0 | 0 | 0 | 111.4 | T302 V303 I304 Y308 R309 F310 E333 G334 L335 | T302-Y306 HydrophobicContact CG2-CD2 4.41Å; T302-Y306 HydrophobicContact CG2-CE2 4.13Å; T302-Y306 VanDerWaalsContact O-CD2 3.26Å; T302-Y306 WeakPolarHBondContact O-CD2 3.3Å; V303-Y306 PolarHBondContact O-N 3.41Å; I304-Y306 VanDerWaalsContact C-N 3.34Å; I304-Y306 PolarHBondContact O-N 2.88Å; Y306-Y308 PolarHBondContact O-N 3.46Å; Y306-R309 PolarHBondContact O-N 3.44Å; Y306-F310 VanDerWaalsContact O-CB 3.23Å; Y306-F310 WeakPolarHBondContact O-CB 3.44Å; Y306-F310 PolarHBondContact O-N 3.25Å; Y306-E333 VanDerWaalsContact CE1-O 3.26Å; Y306-E333 WeakPolarHBondContact CE1-O 3.46Å; Y306-E333 PolarHBondContact OH-O 2.94Å; Y306-G334 WeakPolarHBondContact OH-CA 3.26Å; Y306-L335 HydrophobicContact CD1-CD1 3.75Å; Y306-L335 HydrophobicContact CD1-CD2 4.03Å; Y306-L335 HydrophobicContact CD1-CG 3.53Å; Y306-L335 HydrophobicContact CD2-CD2 3.93Å; Y306-L335 HydrophobicContact CD2-CG 4.34Å; Y306-L335 HydrophobicContact CE1-CD1 4.5Å; Y306-L335 HydrophobicContact CE1-CD2 4.42Å; Y306-L335 HydrophobicContact CE1-CG 3.85Å; Y306-L335 HydrophobicContact CE2-CD2 4.32Å; Y306-L335 HydrophobicContact CG-CD1 3.98Å; Y306-L335 HydrophobicContact CG-CD2 3.74Å; Y306-L335 HydrophobicContact CG-CG 3.78Å |
| 307 | F | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | 178.3 | -177.6 | -94 | 0 | 0 | 0 | 111 | P278 W279 R287 I290 M294 V303 I304 F310 M311 | P278-F307 HydrophobicContact CB-CD1 3.75Å; P278-F307 HydrophobicContact CB-CE1 3.93Å; W279-F307 HydrophobicContact CB-CE1 4.27Å; W279-F307 HydrophobicContact CB-CE2 4.03Å; W279-F307 HydrophobicContact CB-CZ 3.81Å; W279-F307 HydrophobicContact CE3-CB 4.28Å; W279-F307 HydrophobicContact CE3-CD1 4.21Å; W279-F307 HydrophobicContact CE3-CD2 4.19Å; W279-F307 AromaticContact CE3-CG 3.96Å; W279-F307 HydrophobicContact CE3-CG 3.96Å; W279-F307 HydrophobicContact CZ3-CB 4.33Å; W279-F307 HydrophobicContact CZ3-CG 4.49Å; R287-F307 HydrophobicContact CB-CZ 4.06Å; R287-F307 HydrophobicContact CG-CZ 4.35Å; R287-F307 WeakPolarHBondContact O-CE2 3.49Å; I290-F307 HydrophobicContact CB-CE2 4.37Å; I290-F307 HydrophobicContact CG2-CD2 4.23Å; I290-F307 HydrophobicContact CG2-CE2 4.26Å; M294-F307 HydrophobicContact SD-CB 4.14Å; M294-F307 HydrophobicContact SD-CD2 4.29Å; V303-F307 HydrophobicContact CG1-CB 4.44Å; V303-F307 WeakPolarHBondContact O-CB 3.32Å; V303-F307 PolarHBondContact O-N 3.39Å; I304-F307 PolarHBondContact O-N 2.96Å; F307-F310 PolarHBondContact O-N 3.4Å; F307-M311 HydrophobicContact CD1-CG 4.04Å; F307-M311 HydrophobicContact CD2-CE 4.41Å; F307-M311 HydrophobicContact CD2-CG 4.49Å; F307-M311 HydrophobicContact CE1-CG 3.64Å; F307-M311 HydrophobicContact CE1-SD 4.5Å; F307-M311 HydrophobicContact CE2-CE 3.88Å; F307-M311 HydrophobicContact CE2-CG 4.12Å; F307-M311 HydrophobicContact CE2-SD 4.27Å; F307-M311 HydrophobicContact CG-CG 4.45Å; F307-M311 HydrophobicContact CZ-CE 4.2Å; F307-M311 HydrophobicContact CZ-CG 3.68Å; F307-M311 HydrophobicContact CZ-SD 3.97Å; F307-M311 WeakPolarHBondContact O-CB 3.46Å; F307-M311 VanDerWaalsContact O-CG 3.26Å; F307-M311 WeakPolarHBondContact O-CG 3.36Å; F307-M311 PolarHBondContact O-N 2.97Å |
| 308 | Y | 96.2 | Very high | 94.1 | Very high | 134 Ų | 134 | 64.7 Ų | 64.7 | 53% | 0.525 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.2 | -50.5 | 176 | -78.6 | -60.9 | 0 | 0 | 0 | 112.7 | P278 I304 Y306 F310 M311 E312 | P278-Y308 HydrophobicContact CB-CE1 4.06Å; P278-Y308 HydrophobicContact CB-CE2 4.15Å; P278-Y308 HydrophobicContact CG-CD2 4.43Å; P278-Y308 HydrophobicContact CG-CE1 4.4Å; P278-Y308 HydrophobicContact CG-CE2 3.61Å; I304-Y308 HydrophobicContact CG2-CD2 4.08Å; I304-Y308 HydrophobicContact CG2-CE2 3.81Å; I304-Y308 VanDerWaalsContact O-CD2 3.27Å; I304-Y308 WeakPolarHBondContact O-CD2 3.23Å; I304-Y308 PolarHBondContact O-N 2.75Å; I304-Y308 VanDerWaalsContact O-N 3.16Å; Y306-Y308 PolarHBondContact O-N 3.46Å; Y308-F310 VanDerWaalsContact C-N 3.28Å; Y308-F310 PolarHBondContact O-N 3.47Å; Y308-M311 PolarHBondContact O-N 3.36Å; Y308-E312 PolarHBondContact O-N 3Å |
| 309 | R | 96.6 | Very high | 94.6 | Very high | 115 Ų | 115 | 64.8 Ų | 64.8 | 43% | 0.434 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 178.5 | -70.5 | -176.5 | -67.4 | 161.1 | 1.5 | 112.3 | D305 Y306 E312 Q313 | D305-R309 WeakPolarHBondContact O-CG 3.23Å; D305-R309 PolarHBondContact O-N 2.82Å; D305-R309 PolarHBondContact O-NE 3.46Å; Y306-R309 PolarHBondContact O-N 3.44Å; R309-E312 PolarHBondContact O-N 2.81Å; R309-Q313 WeakPolarHBondContact O-CG 3.33Å; R309-Q313 PolarHBondContact O-N 3.18Å; R309-Q313 VanDerWaalsContact O-N 3.16Å |
| 310 | F | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.5 | -45.9 | 177.9 | -162.5 | -74.9 | 0 | 0 | 0 | 111.4 | I290 M294 Y306 F307 Y308 E312 Q313 F314 L320 L328 V331 W332 | I290-F310 HydrophobicContact CD1-CE1 3.81Å; I290-F310 HydrophobicContact CD1-CZ 4.21Å; I290-F310 HydrophobicContact CG1-CE1 4.29Å; I290-F310 HydrophobicContact CG2-CD1 3.94Å; I290-F310 HydrophobicContact CG2-CE1 4.11Å; I290-F310 HydrophobicContact CG2-CG 4.4Å; M294-F310 HydrophobicContact CE-CB 3.56Å; M294-F310 HydrophobicContact CE-CD1 4.42Å; M294-F310 HydrophobicContact CE-CD2 3.47Å; M294-F310 VanDerWaalsContact CE-CD2 3.47Å; M294-F310 HydrophobicContact CE-CE2 4.24Å; M294-F310 HydrophobicContact CE-CG 3.57Å; Y306-F310 VanDerWaalsContact O-CB 3.23Å; Y306-F310 WeakPolarHBondContact O-CB 3.44Å; Y306-F310 PolarHBondContact O-N 3.25Å; F307-F310 PolarHBondContact O-N 3.4Å; Y308-F310 VanDerWaalsContact C-N 3.28Å; Y308-F310 PolarHBondContact O-N 3.47Å; F310-E312 VanDerWaalsContact C-N 3.27Å; F310-E312 PolarHBondContact O-N 3.27Å; F310-Q313 PolarHBondContact O-N 3.04Å; F310-F314 HydrophobicContact CD1-CB 4.22Å; F310-F314 AromaticContact CD1-CD2 3.96Å; F310-F314 HydrophobicContact CD1-CD2 3.96Å; F310-F314 HydrophobicContact CD2-CD2 4.17Å; F310-F314 HydrophobicContact CE1-CB 4Å; F310-F314 AromaticContact CE1-CD2 3.81Å; F310-F314 HydrophobicContact CE1-CD2 3.81Å; F310-F314 HydrophobicContact CE1-CG 4.34Å; F310-F314 HydrophobicContact CE2-CD2 4.02Å; F310-F314 HydrophobicContact CE2-CE2 4.33Å; F310-F314 HydrophobicContact CG-CD2 4.16Å; F310-F314 AromaticContact CZ-CD2 3.84Å; F310-F314 HydrophobicContact CZ-CD2 3.84Å; F310-F314 HydrophobicContact CZ-CE2 4.5Å; F310-F314 PolarHBondContact O-N 2.89Å; F310-L320 HydrophobicContact CE1-CD1 4.19Å; F310-L320 HydrophobicContact CE1-CD2 4.35Å; F310-L320 HydrophobicContact CZ-CD1 3.71Å; F310-L320 HydrophobicContact CZ-CD2 4.32Å; F310-L328 HydrophobicContact CE2-CD1 3.52Å; F310-L328 HydrophobicContact CZ-CD1 3.73Å; F310-V331 HydrophobicContact CB-CG1 4.19Å; F310-V331 HydrophobicContact CD2-CG1 3.83Å; F310-V331 HydrophobicContact CG-CG1 4.33Å; F310-W332 HydrophobicContact CD2-CE3 4.2Å; F310-W332 HydrophobicContact CD2-CZ3 4.44Å; F310-W332 AromaticContact CE2-CE3 3.85Å; F310-W332 HydrophobicContact CE2-CE3 3.85Å; F310-W332 HydrophobicContact CE2-CZ3 4.08Å |
| 311 | M | 96.9 | Very high | 96 | Very high | 20 Ų | 20 | 54.9 Ų | 54.9 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.7 | -30.1 | 177.5 | -69.2 | -62.1 | 113.5 | 0 | 0 | 112.8 | Y286 R287 I290 F307 Y308 P315 | Y286-M311 HydrophobicContact CD1-CE 4.47Å; Y286-M311 HydrophobicContact CD1-SD 4.37Å; Y286-M311 HydrophobicContact CE1-CE 3.86Å; Y286-M311 HydrophobicContact CE1-SD 4.03Å; R287-M311 HydrophobicContact CG-SD 3.91Å; I290-M311 HydrophobicContact CB-CE 3.73Å; I290-M311 HydrophobicContact CG1-CE 3.8Å; I290-M311 HydrophobicContact CG2-CE 3.57Å; F307-M311 HydrophobicContact CD1-CG 4.04Å; F307-M311 HydrophobicContact CD2-CE 4.41Å; F307-M311 HydrophobicContact CD2-CG 4.49Å; F307-M311 HydrophobicContact CE1-CG 3.64Å; F307-M311 HydrophobicContact CE1-SD 4.5Å; F307-M311 HydrophobicContact CE2-CE 3.88Å; F307-M311 HydrophobicContact CE2-CG 4.12Å; F307-M311 HydrophobicContact CE2-SD 4.27Å; F307-M311 HydrophobicContact CG-CG 4.45Å; F307-M311 HydrophobicContact CZ-CE 4.2Å; F307-M311 HydrophobicContact CZ-CG 3.68Å; F307-M311 HydrophobicContact CZ-SD 3.97Å; F307-M311 WeakPolarHBondContact O-CB 3.46Å; F307-M311 VanDerWaalsContact O-CG 3.26Å; F307-M311 WeakPolarHBondContact O-CG 3.36Å; F307-M311 PolarHBondContact O-N 2.97Å; Y308-M311 PolarHBondContact O-N 3.36Å; M311-P315 VanDerWaalsContact O-CA 3.25Å; M311-P315 WeakPolarHBondContact O-CA 3.38Å; M311-P315 WeakPolarHBondContact O-CB 3.4Å |
| 312 | E | 97.3 | Very high | 96.6 | Very high | 146 Ų | 146 | 55.3 Ų | 55.3 | 68% | 0.682 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -69 | -44.3 | 173.8 | -175.8 | -178.6 | -160.9 | 0 | 0 | 111.9 | Y308 R309 F310 | Y308-E312 PolarHBondContact O-N 3Å; R309-E312 PolarHBondContact O-N 2.81Å; F310-E312 VanDerWaalsContact C-N 3.27Å; F310-E312 PolarHBondContact O-N 3.27Å |
| 313 | Q | 97.5 | Very high | 97 | Very high | 78 Ų | 78 | 53.3 Ų | 53.3 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -79.9 | -34.1 | -177.5 | -67.6 | -60.6 | -43.9 | 0 | 0 | 113.5 | R309 F310 V331 | R309-Q313 WeakPolarHBondContact O-CG 3.33Å; R309-Q313 PolarHBondContact O-N 3.18Å; R309-Q313 VanDerWaalsContact O-N 3.16Å; F310-Q313 PolarHBondContact O-N 3.04Å; Q313-V331 HydrophobicContact CB-CG2 4.31Å; Q313-V331 HydrophobicContact CG-CG2 4.06Å |
| 314 | F | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | trans | -131.2 | 73.5 | -176.2 | -47.3 | -61.2 | 0 | 0 | 0 | 109 | Y286 F310 T316 L320 A323 K327 L328 V331 | Y286-F314 WeakPolarHBondContact CE1-O 3.44Å; Y286-F314 PolarHBondContact OH-O 2.66Å; F310-F314 HydrophobicContact CD1-CB 4.22Å; F310-F314 AromaticContact CD1-CD2 3.96Å; F310-F314 HydrophobicContact CD1-CD2 3.96Å; F310-F314 HydrophobicContact CD2-CD2 4.17Å; F310-F314 HydrophobicContact CE1-CB 4Å; F310-F314 AromaticContact CE1-CD2 3.81Å; F310-F314 HydrophobicContact CE1-CD2 3.81Å; F310-F314 HydrophobicContact CE1-CG 4.34Å; F310-F314 HydrophobicContact CE2-CD2 4.02Å; F310-F314 HydrophobicContact CE2-CE2 4.33Å; F310-F314 HydrophobicContact CG-CD2 4.16Å; F310-F314 AromaticContact CZ-CD2 3.84Å; F310-F314 HydrophobicContact CZ-CD2 3.84Å; F310-F314 HydrophobicContact CZ-CE2 4.5Å; F310-F314 PolarHBondContact O-N 2.89Å; F314-T316 PolarHBondContact O-N 2.98Å; F314-L320 HydrophobicContact CB-CB 4.29Å; F314-L320 HydrophobicContact CG-CD1 4.44Å; F314-A323 HydrophobicContact CD1-CB 3.89Å; F314-A323 HydrophobicContact CE1-CB 3.38Å; F314-A323 HydrophobicContact CZ-CB 4.11Å; F314-K327 HydrophobicContact CE1-CD 4.3Å; F314-K327 HydrophobicContact CZ-CD 4.37Å; F314-K327 HydrophobicContact CZ-CG 4.18Å; F314-L328 HydrophobicContact CD2-CD1 4.46Å; F314-L328 HydrophobicContact CE2-CD1 3.99Å; F314-L328 HydrophobicContact CZ-CB 4.42Å; F314-V331 HydrophobicContact CE2-CB 4Å; F314-V331 HydrophobicContact CE2-CG1 4.21Å; F314-V331 HydrophobicContact CE2-CG2 3.88Å; F314-V331 HydrophobicContact CZ-CG2 4.23Å | ||
| 315 | P | 96.9 | Very high | 97.4 | Very high | 75 Ų | 75 | 58.9 Ų | 58.9 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | trans | -73.3 | -15.1 | -174.8 | 27.7 | -35.5 | 0 | 0 | 0 | 113.9 | M311 | M311-P315 VanDerWaalsContact O-CA 3.25Å; M311-P315 WeakPolarHBondContact O-CA 3.38Å; M311-P315 WeakPolarHBondContact O-CB 3.4Å | ||
| 316 | T | 97.8 | Very high | 97.5 | Very high | 68 Ų | 68 | 59.6 Ų | 59.6 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -136.5 | 161.4 | -175.7 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | F314 Q318 A319 L320 | F314-T316 PolarHBondContact O-N 2.98Å; T316-Q318 PolarHBondContact O-N 2.87Å; T316-A319 PolarHBondContact O-N 2.98Å; T316-A319 VanDerWaalsContact O-N 3.15Å; T316-A319 WeakPolarHBondContact OG1-CB 3.28Å; T316-A319 PolarHBondContact OG1-N 3.23Å; T316-A319 VanDerWaalsContact OG1-N 3.09Å; T316-L320 PolarHBondContact O-N 3.14Å; T316-L320 VanDerWaalsContact O-N 3.08Å |
| 317 | I | 98.3 | Very high | 97.6 | Very high | 19 Ų | 19 | 61.9 Ų | 61.9 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.8 | -44.2 | 173.3 | -62.2 | 166.9 | 0 | 0 | 0 | 110.6 | Y286 L320 A321 A348 I351 M352 F359 | Y286-I317 HydrophobicContact CD2-CB 4.48Å; Y286-I317 HydrophobicContact CD2-CG1 3.5Å; Y286-I317 VanDerWaalsContact CD2-CG1 3.5Å; Y286-I317 HydrophobicContact CE2-CG1 4.16Å; Y286-I317 HydrophobicContact CG-CG1 4Å; I317-L320 PolarHBondContact O-N 2.92Å; I317-A321 WeakPolarHBondContact O-CB 3.5Å; I317-A321 PolarHBondContact O-N 3.3Å; I317-A348 HydrophobicContact CG2-CB 4.24Å; I317-I351 HydrophobicContact CD1-CD1 4.49Å; I317-I351 HydrophobicContact CD1-CG2 4.13Å; I317-I351 HydrophobicContact CG2-CB 4Å; I317-I351 HydrophobicContact CG2-CD1 4.32Å; I317-I351 HydrophobicContact CG2-CG2 3.91Å; I317-M352 HydrophobicContact CG2-CG 4.43Å; I317-M352 HydrophobicContact CG2-SD 4.18Å; I317-F359 HydrophobicContact CD1-CB 4.13Å; I317-F359 HydrophobicContact CD1-CD2 3.91Å |
| 318 | Q | 98.4 | Very high | 97.6 | Very high | 96 Ų | 96 | 61.9 Ų | 61.9 | 45% | 0.449 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 176.9 | -176.9 | 178 | -0.7 | 0 | 0 | 111.8 | T316 L320 A321 E322 M352 | T316-Q318 PolarHBondContact O-N 2.87Å; Q318-L320 PolarHBondContact O-N 2.85Å; Q318-A321 PolarHBondContact O-N 2.65Å; Q318-A321 VanDerWaalsContact O-N 3.13Å; Q318-E322 HydrophobicContact CG-CG 4.28Å; Q318-E322 VanDerWaalsContact CG-OE1 3.24Å; Q318-E322 WeakPolarHBondContact CG-OE1 3.44Å; Q318-E322 PolarHBondContact NE2-OE1 3.08Å; Q318-E322 WeakPolarHBondContact O-CB 3.19Å; Q318-E322 WeakPolarHBondContact O-CG 3.11Å; Q318-E322 PolarHBondContact O-N 2.93Å; Q318-M352 HydrophobicContact CB-CE 3.98Å; Q318-M352 HydrophobicContact CB-SD 3.98Å; Q318-M352 HydrophobicContact CG-CE 3.94Å |
| 319 | A | 98.4 | Very high | 97.6 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.2 | -36 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T316 A323 | T316-A319 PolarHBondContact O-N 2.98Å; T316-A319 VanDerWaalsContact O-N 3.15Å; T316-A319 WeakPolarHBondContact OG1-CB 3.28Å; T316-A319 PolarHBondContact OG1-N 3.23Å; T316-A319 VanDerWaalsContact OG1-N 3.09Å; A319-A323 WeakPolarHBondContact O-CB 3.36Å; A319-A323 PolarHBondContact O-N 3.42Å |
| 320 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.4 | -41.1 | 174.7 | 178.4 | 58.5 | 0 | 0 | 0 | 112.6 | Y286 W289 I290 F310 F314 T316 I317 Q318 A323 L328 L344 Q345 A348 | Y286-L320 HydrophobicContact CE2-CD2 3.97Å; W289-L320 HydrophobicContact CH2-CD2 4.14Å; W289-L320 HydrophobicContact CZ3-CD2 4.02Å; I290-L320 HydrophobicContact CD1-CD2 3.87Å; F310-L320 HydrophobicContact CE1-CD1 4.19Å; F310-L320 HydrophobicContact CE1-CD2 4.35Å; F310-L320 HydrophobicContact CZ-CD1 3.71Å; F310-L320 HydrophobicContact CZ-CD2 4.32Å; F314-L320 HydrophobicContact CB-CB 4.29Å; F314-L320 HydrophobicContact CG-CD1 4.44Å; T316-L320 PolarHBondContact O-N 3.14Å; T316-L320 VanDerWaalsContact O-N 3.08Å; I317-L320 PolarHBondContact O-N 2.92Å; Q318-L320 PolarHBondContact O-N 2.85Å; L320-A323 WeakPolarHBondContact O-CB 3.4Å; L320-A323 PolarHBondContact O-N 3.25Å; L320-L328 HydrophobicContact CD1-CD1 3.74Å; L320-L328 HydrophobicContact CD1-CD2 4.27Å; L320-L344 HydrophobicContact CD2-CB 4.38Å; L320-Q345 PolarHBondContact O-NE2 3.11Å; L320-A348 HydrophobicContact CB-CB 4.17Å; L320-A348 HydrophobicContact CD2-CB 3.92Å; L320-A348 HydrophobicContact CG-CB 3.85Å |
| 321 | A | 98.3 | Very high | 97.6 | Very high | 8 Ų | 8 | 59.4 Ų | 59.4 | 7% | 0.066 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.5 | -40.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I317 Q318 A348 K349 M352 | I317-A321 WeakPolarHBondContact O-CB 3.5Å; I317-A321 PolarHBondContact O-N 3.3Å; Q318-A321 PolarHBondContact O-N 2.65Å; Q318-A321 VanDerWaalsContact O-N 3.13Å; A321-A348 HydrophobicContact CB-CB 3.98Å; A321-K349 HydrophobicContact CB-CG 3.98Å; A321-K349 WeakPolarHBondContact O-CE 3.33Å; A321-M352 HydrophobicContact CB-CG 3.77Å |
| 322 | E | 98.2 | Very high | 97.6 | Very high | 131 Ų | 131 | 58.4 Ų | 58.4 | 61% | 0.612 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -85.4 | -11.1 | -178.5 | -66.4 | 174.5 | -179.5 | 0 | 0 | 113.4 | Q318 | Q318-E322 HydrophobicContact CG-CG 4.28Å; Q318-E322 VanDerWaalsContact CG-OE1 3.24Å; Q318-E322 WeakPolarHBondContact CG-OE1 3.44Å; Q318-E322 PolarHBondContact NE2-OE1 3.08Å; Q318-E322 WeakPolarHBondContact O-CB 3.19Å; Q318-E322 WeakPolarHBondContact O-CG 3.11Å; Q318-E322 PolarHBondContact O-N 2.93Å |
| 323 | A | 97.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 56 Ų | 56 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -59.6 | 136.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F314 A319 L320 E325 Q345 | F314-A323 HydrophobicContact CD1-CB 3.89Å; F314-A323 HydrophobicContact CE1-CB 3.38Å; F314-A323 HydrophobicContact CZ-CB 4.11Å; A319-A323 WeakPolarHBondContact O-CB 3.36Å; A319-A323 PolarHBondContact O-N 3.42Å; L320-A323 WeakPolarHBondContact O-CB 3.4Å; L320-A323 PolarHBondContact O-N 3.25Å; A323-E325 PolarHBondContact O-N 3.15Å; A323-Q345 PolarHBondContact O-NE2 3.31Å |
| 324 | P | 97.8 | Very high | 97.2 | Very high | 74 Ų | 74 | 54.9 Ų | 54.9 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | trans | -56.2 | 133.5 | 164.1 | -25.1 | 35.5 | 0 | 0 | 0 | 110.8 | D326 K327 L328 | P324-D326 VanDerWaalsContact C-N 3.28Å; P324-D326 WeakPolarHBondContact CB-OD1 3.45Å; P324-D326 PolarHBondContact O-N 3.33Å; P324-K327 HydrophobicContact CB-CB 4.23Å; P324-K327 WeakPolarHBondContact O-CB 3.46Å; P324-K327 PolarHBondContact O-N 3.37Å; P324-K327 VanDerWaalsContact O-N 3.11Å; P324-L328 PolarHBondContact O-N 3.5Å; P324-L328 VanDerWaalsContact O-N 3.08Å | ||
| 325 | E | 97.1 | Very high | 97 | Very high | 87 Ų | 87 | 55.1 Ų | 55.1 | 41% | 0.407 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.2 | -38.9 | -175.6 | -176.4 | 177.9 | 152.4 | 0 | 0 | 111.4 | A323 K327 L328 L329 R342 | A323-E325 PolarHBondContact O-N 3.15Å; E325-K327 VanDerWaalsContact C-N 3.34Å; E325-K327 PolarHBondContact O-N 3.22Å; E325-L328 WeakPolarHBondContact O-CB 3.32Å; E325-L328 PolarHBondContact O-N 3.41Å; E325-L329 HydrophobicContact CG-CD1 3.95Å; E325-L329 HydrophobicContact CG-CG 4.09Å; E325-L329 VanDerWaalsContact O-CG 3.26Å; E325-L329 WeakPolarHBondContact O-CG 3.15Å; E325-L329 PolarHBondContact O-N 3.23Å; E325-R342 WeakPolarHBondContact OE1-CD 3.26Å; E325-R342 IonicContact OE1-CZ 3.83Å; E325-R342 IonicContact OE1-NE 2.86Å; E325-R342 PolarHBondContact OE1-NE 2.99Å; E325-R342 IonicContact OE1-NH2 3.93Å |
| 326 | D | 97.1 | Very high | 96.6 | Very high | 119 Ų | 119 | 52.8 Ų | 52.8 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.8 | -41.7 | 175.7 | 63.4 | -43 | 0 | 0 | 0 | 112.4 | P324 L329 K330 | P324-D326 VanDerWaalsContact C-N 3.28Å; P324-D326 WeakPolarHBondContact CB-OD1 3.45Å; P324-D326 PolarHBondContact O-N 3.33Å; D326-L329 PolarHBondContact O-N 3.02Å; D326-K330 WeakPolarHBondContact O-CB 3.34Å; D326-K330 PolarHBondContact O-N 3.18Å |
| 327 | K | 97.2 | Very high | 96.3 | Very high | 87 Ų | 87 | 56 Ų | 56 | 38% | 0.378 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 174.2 | -170.4 | -177.4 | 177.5 | -172.5 | 0 | 111.2 | F314 P324 E325 K330 V331 | F314-K327 HydrophobicContact CE1-CD 4.3Å; F314-K327 HydrophobicContact CZ-CD 4.37Å; F314-K327 HydrophobicContact CZ-CG 4.18Å; P324-K327 HydrophobicContact CB-CB 4.23Å; P324-K327 WeakPolarHBondContact O-CB 3.46Å; P324-K327 PolarHBondContact O-N 3.37Å; P324-K327 VanDerWaalsContact O-N 3.11Å; E325-K327 VanDerWaalsContact C-N 3.34Å; E325-K327 PolarHBondContact O-N 3.22Å; K327-K330 PolarHBondContact O-N 3.44Å; K327-V331 WeakPolarHBondContact O-CG2 3.29Å; K327-V331 PolarHBondContact O-N 3.07Å; K327-V331 VanDerWaalsContact O-N 3.11Å |
| 328 | L | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -50.2 | 176.7 | 172.6 | 63.2 | 0 | 0 | 0 | 111.8 | F310 F314 L320 P324 E325 K330 V331 W332 A341 Q345 | F310-L328 HydrophobicContact CE2-CD1 3.52Å; F310-L328 HydrophobicContact CZ-CD1 3.73Å; F314-L328 HydrophobicContact CD2-CD1 4.46Å; F314-L328 HydrophobicContact CE2-CD1 3.99Å; F314-L328 HydrophobicContact CZ-CB 4.42Å; L320-L328 HydrophobicContact CD1-CD1 3.74Å; L320-L328 HydrophobicContact CD1-CD2 4.27Å; P324-L328 PolarHBondContact O-N 3.5Å; P324-L328 VanDerWaalsContact O-N 3.08Å; E325-L328 WeakPolarHBondContact O-CB 3.32Å; E325-L328 PolarHBondContact O-N 3.41Å; L328-K330 PolarHBondContact O-N 3.11Å; L328-V331 PolarHBondContact O-N 3.42Å; L328-V331 VanDerWaalsContact O-N 3.17Å; L328-W332 PolarHBondContact O-N 2.99Å; L328-A341 HydrophobicContact CD2-CB 4.43Å; L328-A341 WeakPolarHBondContact CD2-O 3.15Å; L328-A341 HydrophobicContact CG-CB 4.35Å; L328-Q345 HydrophobicContact CD2-CB 3.64Å; L328-Q345 HydrophobicContact CD2-CG 4.39Å |
| 329 | L | 96.8 | Very high | 95.9 | Very high | 34 Ų | 34 | 57.9 Ų | 57.9 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.7 | -32.6 | -179.9 | -64.9 | 177 | 0 | 0 | 0 | 111.4 | E325 D326 W332 E333 Y338 A341 R342 | E325-L329 HydrophobicContact CG-CD1 3.95Å; E325-L329 HydrophobicContact CG-CG 4.09Å; E325-L329 VanDerWaalsContact O-CG 3.26Å; E325-L329 WeakPolarHBondContact O-CG 3.15Å; E325-L329 PolarHBondContact O-N 3.23Å; D326-L329 PolarHBondContact O-N 3.02Å; L329-W332 PolarHBondContact O-N 3.41Å; L329-E333 PolarHBondContact O-N 3.04Å; L329-Y338 HydrophobicContact CD2-CD1 3.76Å; L329-Y338 HydrophobicContact CD2-CG 4.49Å; L329-A341 HydrophobicContact CD2-CB 4.26Å; L329-R342 HydrophobicContact CD2-CG 4.4Å |
| 330 | K | 96.9 | Very high | 95.8 | Very high | 139 Ų | 139 | 57.2 Ų | 57.2 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.6 | -41.7 | 174.4 | -172.5 | 61 | 178.7 | 173.8 | 0 | 112.7 | D326 K327 L328 W332 E333 | D326-K330 WeakPolarHBondContact O-CB 3.34Å; D326-K330 PolarHBondContact O-N 3.18Å; K327-K330 PolarHBondContact O-N 3.44Å; L328-K330 PolarHBondContact O-N 3.11Å; K330-W332 VanDerWaalsContact C-N 3.28Å; K330-W332 PolarHBondContact O-N 2.92Å; K330-E333 WeakPolarHBondContact CD-OE2 3.43Å; K330-E333 WeakPolarHBondContact CE-OE2 3.25Å; K330-E333 IonicContact NZ-OE2 2.67Å; K330-E333 PolarHBondContact NZ-OE2 3.2Å; K330-E333 VanDerWaalsContact O-CB 3.31Å; K330-E333 WeakPolarHBondContact O-CB 3.38Å; K330-E333 PolarHBondContact O-N 3.19Å |
| 331 | V | 96.5 | Very high | 95.6 | Very high | 24 Ų | 24 | 57.2 Ų | 57.2 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.6 | -30.4 | 175.3 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | F310 Q313 F314 K327 L328 E333 | F310-V331 HydrophobicContact CB-CG1 4.19Å; F310-V331 HydrophobicContact CD2-CG1 3.83Å; F310-V331 HydrophobicContact CG-CG1 4.33Å; Q313-V331 HydrophobicContact CB-CG2 4.31Å; Q313-V331 HydrophobicContact CG-CG2 4.06Å; F314-V331 HydrophobicContact CE2-CB 4Å; F314-V331 HydrophobicContact CE2-CG1 4.21Å; F314-V331 HydrophobicContact CE2-CG2 3.88Å; F314-V331 HydrophobicContact CZ-CG2 4.23Å; K327-V331 WeakPolarHBondContact O-CG2 3.29Å; K327-V331 PolarHBondContact O-N 3.07Å; K327-V331 VanDerWaalsContact O-N 3.11Å; L328-V331 PolarHBondContact O-N 3.42Å; L328-V331 VanDerWaalsContact O-N 3.17Å; V331-E333 VanDerWaalsContact C-N 3.35Å |
| 332 | W | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -80.4 | -12.1 | 177 | -159.6 | -92.9 | 0 | 0 | 0 | 114.3 | I293 M294 F310 L328 L329 K330 G334 L335 G336 R340 A341 L344 | I293-W332 HydrophobicContact CG2-CH2 4.16Å; M294-W332 HydrophobicContact CB-CH2 4.4Å; M294-W332 HydrophobicContact CE-CE3 4.17Å; M294-W332 HydrophobicContact CE-CH2 4.49Å; M294-W332 HydrophobicContact CE-CZ3 3.69Å; M294-W332 HydrophobicContact CG-CH2 3.54Å; M294-W332 HydrophobicContact CG-CZ2 4.5Å; M294-W332 HydrophobicContact CG-CZ3 3.69Å; F310-W332 HydrophobicContact CD2-CE3 4.2Å; F310-W332 HydrophobicContact CD2-CZ3 4.44Å; F310-W332 AromaticContact CE2-CE3 3.85Å; F310-W332 HydrophobicContact CE2-CE3 3.85Å; F310-W332 HydrophobicContact CE2-CZ3 4.08Å; L328-W332 PolarHBondContact O-N 2.99Å; L329-W332 PolarHBondContact O-N 3.41Å; K330-W332 VanDerWaalsContact C-N 3.28Å; K330-W332 PolarHBondContact O-N 2.92Å; W332-G334 PolarHBondContact O-N 2.87Å; W332-G334 VanDerWaalsContact O-N 3.11Å; W332-L335 HydrophobicContact CD2-CB 4.41Å; W332-L335 HydrophobicContact CD2-CD1 3.8Å; W332-L335 HydrophobicContact CE3-CD1 3.92Å; W332-L335 HydrophobicContact CG-CB 4.45Å; W332-L335 HydrophobicContact CG-CD1 4.37Å; W332-L335 HydrophobicContact CH2-CD1 4.17Å; W332-L335 HydrophobicContact CZ2-CB 4.45Å; W332-L335 HydrophobicContact CZ2-CD1 4.05Å; W332-L335 HydrophobicContact CZ3-CD1 4.11Å; W332-L335 PolarHBondContact O-N 3.31Å; W332-L335 VanDerWaalsContact O-N 3.09Å; W332-G336 PolarHBondContact NE1-O 3.23Å; W332-G336 VanDerWaalsContact NE1-O 3.08Å; W332-R340 HydrophobicContact CZ2-CB 3.84Å; W332-A341 HydrophobicContact CB-CB 4.09Å; W332-A341 HydrophobicContact CD2-CB 3.67Å; W332-A341 HydrophobicContact CE3-CB 4.08Å; W332-A341 HydrophobicContact CG-CB 3.66Å; W332-L344 HydrophobicContact CE3-CD1 4.45Å; W332-L344 HydrophobicContact CH2-CD1 3.72Å; W332-L344 HydrophobicContact CZ3-CD1 3.51Å |
| 333 | E | 95 | Very high | 95.5 | Very high | 96 Ų | 96 | 58.5 Ų | 58.5 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 115.8 | -173.1 | -175.1 | 179 | -162.1 | 0 | 0 | 111.5 | Y306 L329 K330 V331 | Y306-E333 VanDerWaalsContact CE1-O 3.26Å; Y306-E333 WeakPolarHBondContact CE1-O 3.46Å; Y306-E333 PolarHBondContact OH-O 2.94Å; L329-E333 PolarHBondContact O-N 3.04Å; K330-E333 WeakPolarHBondContact CD-OE2 3.43Å; K330-E333 WeakPolarHBondContact CE-OE2 3.25Å; K330-E333 IonicContact NZ-OE2 2.67Å; K330-E333 PolarHBondContact NZ-OE2 3.2Å; K330-E333 VanDerWaalsContact O-CB 3.31Å; K330-E333 WeakPolarHBondContact O-CB 3.38Å; K330-E333 PolarHBondContact O-N 3.19Å; V331-E333 VanDerWaalsContact C-N 3.35Å |
| 334 | G | 92.6 | Very high | 95.5 | Very high | 53 Ų | 53 | 58.1 Ų | 58.1 | 55% | 0.546 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110.9 | -16 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y306 W332 G336 | Y306-G334 WeakPolarHBondContact OH-CA 3.26Å; W332-G334 PolarHBondContact O-N 2.87Å; W332-G334 VanDerWaalsContact O-N 3.11Å; G334-G336 VanDerWaalsContact C-N 3.33Å |
| 335 | L | 92.5 | Very high | 95.5 | Very high | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -78.9 | -15.8 | 172.6 | -71.5 | 174.6 | 0 | 0 | 0 | 113.6 | M294 T298 V303 Y306 W332 R340 | M294-L335 HydrophobicContact CE-CD1 4.16Å; M294-L335 HydrophobicContact CG-CD1 4.05Å; M294-L335 HydrophobicContact SD-CD1 4.31Å; T298-L335 HydrophobicContact CG2-CD2 3.65Å; T298-L335 PolarHBondContact OG1-O 2.81Å; V303-L335 HydrophobicContact CG2-CD2 4.47Å; Y306-L335 HydrophobicContact CD1-CD1 3.75Å; Y306-L335 HydrophobicContact CD1-CD2 4.03Å; Y306-L335 HydrophobicContact CD1-CG 3.53Å; Y306-L335 HydrophobicContact CD2-CD2 3.93Å; Y306-L335 HydrophobicContact CD2-CG 4.34Å; Y306-L335 HydrophobicContact CE1-CD1 4.5Å; Y306-L335 HydrophobicContact CE1-CD2 4.42Å; Y306-L335 HydrophobicContact CE1-CG 3.85Å; Y306-L335 HydrophobicContact CE2-CD2 4.32Å; Y306-L335 HydrophobicContact CG-CD1 3.98Å; Y306-L335 HydrophobicContact CG-CD2 3.74Å; Y306-L335 HydrophobicContact CG-CG 3.78Å; W332-L335 HydrophobicContact CD2-CB 4.41Å; W332-L335 HydrophobicContact CD2-CD1 3.8Å; W332-L335 HydrophobicContact CE3-CD1 3.92Å; W332-L335 HydrophobicContact CG-CB 4.45Å; W332-L335 HydrophobicContact CG-CD1 4.37Å; W332-L335 HydrophobicContact CH2-CD1 4.17Å; W332-L335 HydrophobicContact CZ2-CB 4.45Å; W332-L335 HydrophobicContact CZ2-CD1 4.05Å; W332-L335 HydrophobicContact CZ3-CD1 4.11Å; W332-L335 PolarHBondContact O-N 3.31Å; W332-L335 VanDerWaalsContact O-N 3.09Å; L335-R340 PolarHBondContact O-NH2 2.85Å |
| 336 | G | 90.1 | Very high | 95.6 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | trans | 68.6 | 175.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | W332 G334 Y338 R340 | W332-G336 PolarHBondContact NE1-O 3.23Å; W332-G336 VanDerWaalsContact NE1-O 3.08Å; G334-G336 VanDerWaalsContact C-N 3.33Å; G336-Y338 PolarHBondContact O-N 3.46Å; G336-R340 PolarHBondContact O-NH2 2.88Å; G336-R340 VanDerWaalsContact O-NH2 3.08Å | ||
| 337 | Y | 90 | Very high | 95.7 | Very high | 135 Ų | 135 | 47.1 Ų | 47.1 | 53% | 0.529 | 24% | 0.244 | S | C | . | . | trans | 48.3 | 61.3 | 179.9 | -57.2 | -82.6 | 0 | 0 | 0 | 113.7 | Q297 S339 R340 | Q297-Y337 HydrophobicContact CB-CD2 4.33Å; Q297-Y337 HydrophobicContact CB-CE2 4.01Å; Q297-Y337 PolarHBondContact OE1-OH 2.89Å; Q297-Y337 VanDerWaalsContact OE1-OH 3.05Å; Y337-S339 PolarHBondContact O-N 2.65Å; Y337-R340 WeakPolarHBondContact O-CB 3.33Å; Y337-R340 PolarHBondContact O-N 3.39Å | ||
| 338 | Y | 94 | Very high | 95.7 | Very high | 87 Ų | 87 | 43 Ų | 43 | 34% | 0.341 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -17.2 | -176.1 | -69.2 | -88.6 | 0 | 0 | 0 | 115.3 | L329 G336 R340 A341 R342 | L329-Y338 HydrophobicContact CD2-CD1 3.76Å; L329-Y338 HydrophobicContact CD2-CG 4.49Å; G336-Y338 PolarHBondContact O-N 3.46Å; Y338-R340 PolarHBondContact O-N 2.88Å; Y338-A341 PolarHBondContact O-N 3.39Å; Y338-R342 PolarHBondContact O-N 3.38Å |
| 339 | S | 94.8 | Very high | 95.8 | Very high | 67 Ų | 67 | 47.2 Ų | 47.2 | 47% | 0.469 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.1 | -30.6 | 169.5 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | Y337 R342 N343 | Y337-S339 PolarHBondContact O-N 2.65Å; S339-R342 PolarHBondContact O-N 3.49Å; S339-N343 WeakPolarHBondContact O-CB 3.41Å; S339-N343 VanDerWaalsContact O-CG 3.23Å; S339-N343 PolarHBondContact O-N 3.24Å; S339-N343 PolarHBondContact O-ND2 3.37Å |
| 340 | R | 95.5 | Very high | 95.9 | Very high | 14 Ų | 14 | 47 Ų | 47 | 5% | 0.053 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -48.5 | 174 | -68.9 | -173.3 | -65.8 | 160.6 | -12.2 | 111.9 | I293 M294 Q296 T298 W332 L335 G336 Y337 Y338 R342 N343 L344 | I293-R340 HydrophobicContact CG2-CB 3.82Å; I293-R340 HydrophobicContact CG2-CG 4.28Å; I293-R340 PolarHBondContact O-NH1 3.14Å; M294-R340 PolarHBondContact O-NH1 2.89Å; Q296-R340 VanDerWaalsContact O-CZ 3.23Å; Q296-R340 PolarHBondContact O-NH1 3.25Å; T298-R340 PolarHBondContact OG1-NH2 2.72Å; W332-R340 HydrophobicContact CZ2-CB 3.84Å; L335-R340 PolarHBondContact O-NH2 2.85Å; G336-R340 PolarHBondContact O-NH2 2.88Å; G336-R340 VanDerWaalsContact O-NH2 3.08Å; Y337-R340 WeakPolarHBondContact O-CB 3.33Å; Y337-R340 PolarHBondContact O-N 3.39Å; Y338-R340 PolarHBondContact O-N 2.88Å; R340-R342 VanDerWaalsContact C-N 3.33Å; R340-R342 PolarHBondContact O-N 3.02Å; R340-N343 PolarHBondContact O-N 3.28Å; R340-L344 WeakPolarHBondContact O-CG 3.4Å; R340-L344 PolarHBondContact O-N 3.06Å |
| 341 | A | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.1 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L328 L329 W332 Y338 N343 L344 Q345 | L328-A341 HydrophobicContact CD2-CB 4.43Å; L328-A341 WeakPolarHBondContact CD2-O 3.15Å; L328-A341 HydrophobicContact CG-CB 4.35Å; L329-A341 HydrophobicContact CD2-CB 4.26Å; W332-A341 HydrophobicContact CB-CB 4.09Å; W332-A341 HydrophobicContact CD2-CB 3.67Å; W332-A341 HydrophobicContact CE3-CB 4.08Å; W332-A341 HydrophobicContact CG-CB 3.66Å; Y338-A341 PolarHBondContact O-N 3.39Å; A341-N343 PolarHBondContact O-N 3.1Å; A341-L344 WeakPolarHBondContact O-CB 3.48Å; A341-L344 PolarHBondContact O-N 3.14Å; A341-Q345 PolarHBondContact O-N 2.97Å |
| 342 | R | 97.1 | Very high | 96 | Very high | 113 Ų | 113 | 42.3 Ų | 42.3 | 43% | 0.426 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64 | -41.9 | 176.9 | -65 | -172.2 | -174.6 | 100.8 | 0.9 | 112.4 | E325 L329 Y338 S339 R340 L344 Q345 A346 | E325-R342 WeakPolarHBondContact OE1-CD 3.26Å; E325-R342 IonicContact OE1-CZ 3.83Å; E325-R342 IonicContact OE1-NE 2.86Å; E325-R342 PolarHBondContact OE1-NE 2.99Å; E325-R342 IonicContact OE1-NH2 3.93Å; L329-R342 HydrophobicContact CD2-CG 4.4Å; Y338-R342 PolarHBondContact O-N 3.38Å; S339-R342 PolarHBondContact O-N 3.49Å; R340-R342 VanDerWaalsContact C-N 3.33Å; R340-R342 PolarHBondContact O-N 3.02Å; R342-L344 VanDerWaalsContact C-N 3.35Å; R342-Q345 PolarHBondContact O-N 2.87Å; R342-A346 WeakPolarHBondContact O-CB 3.46Å; R342-A346 PolarHBondContact O-N 3.38Å |
| 343 | N | 97.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 49.5 Ų | 49.5 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 175.4 | -73.9 | -17.9 | 0 | 0 | 0 | 111.8 | S339 R340 A341 Q345 A346 A347 K370 | S339-N343 WeakPolarHBondContact O-CB 3.41Å; S339-N343 VanDerWaalsContact O-CG 3.23Å; S339-N343 PolarHBondContact O-N 3.24Å; S339-N343 PolarHBondContact O-ND2 3.37Å; R340-N343 PolarHBondContact O-N 3.28Å; A341-N343 PolarHBondContact O-N 3.1Å; N343-Q345 PolarHBondContact O-N 3.21Å; N343-A346 PolarHBondContact O-N 3.49Å; N343-A347 WeakPolarHBondContact O-CB 3.36Å; N343-A347 PolarHBondContact O-N 3.23Å; N343-K370 HydrophobicContact CB-CG 4.45Å |
| 344 | L | 97.5 | Very high | 96.3 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.1 | -51.6 | 172.4 | -80.3 | 176.9 | 0 | 0 | 0 | 110.8 | W289 I290 I293 L320 W332 R340 A341 R342 A346 A347 A348 | W289-L344 HydrophobicContact CD2-CD2 3.91Å; W289-L344 HydrophobicContact CE3-CD2 4.38Å; W289-L344 HydrophobicContact CH2-CB 4.49Å; W289-L344 HydrophobicContact CH2-CD2 3.85Å; W289-L344 WeakPolarHBondContact CH2-O 3.35Å; W289-L344 HydrophobicContact CZ2-CB 4.33Å; W289-L344 HydrophobicContact CZ2-CD2 3.24Å; W289-L344 HydrophobicContact CZ2-CG 4.37Å; W289-L344 HydrophobicContact CZ3-CD2 4.37Å; I290-L344 HydrophobicContact CD1-CD1 3.95Å; I290-L344 HydrophobicContact CD1-CD2 3.73Å; I290-L344 HydrophobicContact CD1-CG 4.38Å; I293-L344 HydrophobicContact CB-CD1 4.21Å; I293-L344 HydrophobicContact CB-CD2 3.87Å; I293-L344 HydrophobicContact CB-CG 4.19Å; I293-L344 HydrophobicContact CG1-CD2 3.61Å; I293-L344 HydrophobicContact CG1-CG 4.31Å; I293-L344 HydrophobicContact CG2-CD1 3.87Å; I293-L344 HydrophobicContact CG2-CD2 4.04Å; I293-L344 HydrophobicContact CG2-CG 3.81Å; L320-L344 HydrophobicContact CD2-CB 4.38Å; W332-L344 HydrophobicContact CE3-CD1 4.45Å; W332-L344 HydrophobicContact CH2-CD1 3.72Å; W332-L344 HydrophobicContact CZ3-CD1 3.51Å; R340-L344 WeakPolarHBondContact O-CG 3.4Å; R340-L344 PolarHBondContact O-N 3.06Å; A341-L344 WeakPolarHBondContact O-CB 3.48Å; A341-L344 PolarHBondContact O-N 3.14Å; R342-L344 VanDerWaalsContact C-N 3.35Å; L344-A346 PolarHBondContact O-N 2.89Å; L344-A347 PolarHBondContact O-N 3.36Å; L344-A348 WeakPolarHBondContact O-CB 3.27Å; L344-A348 PolarHBondContact O-N 3.44Å |
| 345 | Q | 98.2 | Very high | 96.5 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 179.1 | -177.6 | 171.2 | 73.5 | 0 | 0 | 112.8 | L320 A323 L328 A341 R342 N343 A347 A348 K349 | L320-Q345 PolarHBondContact O-NE2 3.11Å; A323-Q345 PolarHBondContact O-NE2 3.31Å; L328-Q345 HydrophobicContact CD2-CB 3.64Å; L328-Q345 HydrophobicContact CD2-CG 4.39Å; A341-Q345 PolarHBondContact O-N 2.97Å; R342-Q345 PolarHBondContact O-N 2.87Å; N343-Q345 PolarHBondContact O-N 3.21Å; Q345-A347 PolarHBondContact O-N 3.28Å; Q345-A348 PolarHBondContact O-N 3.24Å; Q345-K349 HydrophobicContact CG-CD 4.41Å; Q345-K349 WeakPolarHBondContact O-CG 3.49Å; Q345-K349 PolarHBondContact O-N 3.16Å |
| 346 | A | 98.4 | Very high | 96.7 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 35% | 0.347 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R342 N343 L344 K349 Q350 K370 | R342-A346 WeakPolarHBondContact O-CB 3.46Å; R342-A346 PolarHBondContact O-N 3.38Å; N343-A346 PolarHBondContact O-N 3.49Å; L344-A346 PolarHBondContact O-N 2.89Å; A346-K349 PolarHBondContact O-N 2.9Å; A346-Q350 WeakPolarHBondContact O-CB 3.41Å; A346-Q350 PolarHBondContact O-N 3.38Å; A346-K370 HydrophobicContact CB-CB 4.29Å; A346-K370 HydrophobicContact CB-CG 4.05Å |
| 347 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.9 | -34.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | W289 N343 L344 Q345 K349 Q350 I351 L369 K370 | W289-A347 HydrophobicContact CH2-CB 4.08Å; W289-A347 HydrophobicContact CZ2-CB 3.62Å; N343-A347 WeakPolarHBondContact O-CB 3.36Å; N343-A347 PolarHBondContact O-N 3.23Å; L344-A347 PolarHBondContact O-N 3.36Å; Q345-A347 PolarHBondContact O-N 3.28Å; A347-K349 VanDerWaalsContact C-N 3.34Å; A347-K349 PolarHBondContact O-N 3.12Å; A347-Q350 WeakPolarHBondContact O-CB 3.43Å; A347-Q350 PolarHBondContact O-N 3.19Å; A347-I351 VanDerWaalsContact O-CG1 3.29Å; A347-I351 WeakPolarHBondContact O-CG1 3.19Å; A347-I351 PolarHBondContact O-N 3.19Å; A347-L369 HydrophobicContact CB-CB 4.25Å; A347-K370 HydrophobicContact CB-CB 4.17Å; A347-K370 WeakPolarHBondContact CB-O 3.11Å |
| 348 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | W289 I317 L320 A321 L344 Q345 I351 M352 | W289-A348 HydrophobicContact CH2-CB 4.1Å; W289-A348 HydrophobicContact CZ3-CB 4.48Å; I317-A348 HydrophobicContact CG2-CB 4.24Å; L320-A348 HydrophobicContact CB-CB 4.17Å; L320-A348 HydrophobicContact CD2-CB 3.92Å; L320-A348 HydrophobicContact CG-CB 3.85Å; A321-A348 HydrophobicContact CB-CB 3.98Å; L344-A348 WeakPolarHBondContact O-CB 3.27Å; L344-A348 PolarHBondContact O-N 3.44Å; Q345-A348 PolarHBondContact O-N 3.24Å; A348-I351 PolarHBondContact O-N 2.92Å; A348-M352 WeakPolarHBondContact O-CG 3.36Å; A348-M352 PolarHBondContact O-N 2.83Å; A348-M352 VanDerWaalsContact O-N 3.11Å |
| 349 | K | 98.7 | Very high | 97.6 | Very high | 88 Ų | 88 | 51.1 Ų | 51.1 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 173.3 | -70.1 | 173.4 | 178.9 | 174.4 | 0 | 111.5 | A321 Q345 A346 A347 I351 M352 E353 | A321-K349 HydrophobicContact CB-CG 3.98Å; A321-K349 WeakPolarHBondContact O-CE 3.33Å; Q345-K349 HydrophobicContact CG-CD 4.41Å; Q345-K349 WeakPolarHBondContact O-CG 3.49Å; Q345-K349 PolarHBondContact O-N 3.16Å; A346-K349 PolarHBondContact O-N 2.9Å; A347-K349 VanDerWaalsContact C-N 3.34Å; A347-K349 PolarHBondContact O-N 3.12Å; K349-I351 VanDerWaalsContact C-N 3.31Å; K349-I351 PolarHBondContact O-N 3.47Å; K349-M352 WeakPolarHBondContact O-CB 3.3Å; K349-M352 PolarHBondContact O-N 3.16Å; K349-M352 VanDerWaalsContact O-N 3.08Å; K349-E353 WeakPolarHBondContact O-CG 3.13Å; K349-E353 PolarHBondContact O-N 3.33Å |
| 350 | Q | 98.6 | Very high | 97.7 | Very high | 31 Ų | 31 | 48.1 Ų | 48.1 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.7 | -43.3 | 175 | -169.4 | -176.1 | -6 | 0 | 0 | 112.1 | A346 A347 M352 E353 E354 S368 L369 K370 | A346-Q350 WeakPolarHBondContact O-CB 3.41Å; A346-Q350 PolarHBondContact O-N 3.38Å; A347-Q350 WeakPolarHBondContact O-CB 3.43Å; A347-Q350 PolarHBondContact O-N 3.19Å; Q350-M352 VanDerWaalsContact C-N 3.32Å; Q350-M352 PolarHBondContact O-N 3.32Å; Q350-E353 PolarHBondContact O-N 3.32Å; Q350-E354 VanDerWaalsContact CG-CD 3.46Å; Q350-E354 HydrophobicContact CG-CG 4.19Å; Q350-E354 VanDerWaalsContact CG-OE2 3.28Å; Q350-E354 WeakPolarHBondContact CG-OE2 3.19Å; Q350-E354 PolarHBondContact NE2-OE2 3.15Å; Q350-E354 WeakPolarHBondContact O-CB 3.21Å; Q350-E354 PolarHBondContact O-N 3.41Å; Q350-S368 PolarHBondContact NE2-O 3.35Å; Q350-L369 HydrophobicContact CB-CD2 4.46Å; Q350-L369 HydrophobicContact CG-CD2 4.23Å; Q350-K370 VanDerWaalsContact OE1-N 3.07Å |
| 351 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.5 | -40 | 176.3 | -66.2 | 162.9 | 0 | 0 | 0 | 111.7 | I317 A347 A348 K349 F355 G356 G357 K358 F359 L369 | I317-I351 HydrophobicContact CD1-CD1 4.49Å; I317-I351 HydrophobicContact CD1-CG2 4.13Å; I317-I351 HydrophobicContact CG2-CB 4Å; I317-I351 HydrophobicContact CG2-CD1 4.32Å; I317-I351 HydrophobicContact CG2-CG2 3.91Å; A347-I351 VanDerWaalsContact O-CG1 3.29Å; A347-I351 WeakPolarHBondContact O-CG1 3.19Å; A347-I351 PolarHBondContact O-N 3.19Å; A348-I351 PolarHBondContact O-N 2.92Å; K349-I351 VanDerWaalsContact C-N 3.31Å; K349-I351 PolarHBondContact O-N 3.47Å; I351-F355 HydrophobicContact CG2-CB 4.39Å; I351-F355 CarbonylContact O-C 3.32Å; I351-F355 WeakPolarHBondContact O-CA 3.36Å; I351-F355 WeakPolarHBondContact O-CB 3.31Å; I351-F355 PolarHBondContact O-N 2.78Å; I351-G356 PolarHBondContact O-N 3.5Å; I351-G357 PolarHBondContact O-N 2.82Å; I351-K358 WeakPolarHBondContact CG2-O 3.13Å; I351-F359 HydrophobicContact CD1-CD2 3.74Å; I351-F359 HydrophobicContact CD1-CE2 3.76Å; I351-F359 HydrophobicContact CD1-CG 4.49Å; I351-L369 HydrophobicContact CD1-CD1 3.86Å; I351-L369 HydrophobicContact CD1-CD2 4.37Å; I351-L369 HydrophobicContact CG1-CD1 3.99Å; I351-L369 HydrophobicContact CG1-CD2 3.65Å |
| 352 | M | 98.5 | Very high | 97.9 | Very high | 63 Ų | 63 | 56.8 Ų | 56.8 | 31% | 0.31 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 176.9 | -65.3 | -57.7 | -62.1 | 0 | 0 | 111.9 | I317 Q318 A321 A348 K349 Q350 G357 | I317-M352 HydrophobicContact CG2-CG 4.43Å; I317-M352 HydrophobicContact CG2-SD 4.18Å; Q318-M352 HydrophobicContact CB-CE 3.98Å; Q318-M352 HydrophobicContact CB-SD 3.98Å; Q318-M352 HydrophobicContact CG-CE 3.94Å; A321-M352 HydrophobicContact CB-CG 3.77Å; A348-M352 WeakPolarHBondContact O-CG 3.36Å; A348-M352 PolarHBondContact O-N 2.83Å; A348-M352 VanDerWaalsContact O-N 3.11Å; K349-M352 WeakPolarHBondContact O-CB 3.3Å; K349-M352 PolarHBondContact O-N 3.16Å; K349-M352 VanDerWaalsContact O-N 3.08Å; Q350-M352 VanDerWaalsContact C-N 3.32Å; Q350-M352 PolarHBondContact O-N 3.32Å; M352-G357 VanDerWaalsContact SD-CA 3.51Å |
| 353 | E | 98.2 | Very high | 97.9 | Very high | 152 Ų | 152 | 52.3 Ų | 52.3 | 71% | 0.71 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -80.6 | -48.2 | -173.9 | -69.3 | 171.3 | -166.5 | 0 | 0 | 113.1 | K349 Q350 | K349-E353 WeakPolarHBondContact O-CG 3.13Å; K349-E353 PolarHBondContact O-N 3.33Å; Q350-E353 PolarHBondContact O-N 3.32Å |
| 354 | E | 98.2 | Very high | 97.9 | Very high | 125 Ų | 125 | 56.4 Ų | 56.4 | 58% | 0.584 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -94.2 | -27.2 | -171.1 | -62.6 | 177.3 | -174.8 | 0 | 0 | 112.8 | Q350 | Q350-E354 VanDerWaalsContact CG-CD 3.46Å; Q350-E354 HydrophobicContact CG-CG 4.19Å; Q350-E354 VanDerWaalsContact CG-OE2 3.28Å; Q350-E354 WeakPolarHBondContact CG-OE2 3.19Å; Q350-E354 PolarHBondContact NE2-OE2 3.15Å; Q350-E354 WeakPolarHBondContact O-CB 3.21Å; Q350-E354 PolarHBondContact O-N 3.41Å |
| 355 | F | 97.9 | Very high | 98 | Very high | 48 Ų | 48 | 60 Ų | 60 | 21% | 0.211 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -119 | 14.2 | -173.3 | -58.5 | -84.1 | 0 | 0 | 0 | 113.4 | I351 G357 K358 P360 E365 L369 | I351-F355 HydrophobicContact CG2-CB 4.39Å; I351-F355 CarbonylContact O-C 3.32Å; I351-F355 WeakPolarHBondContact O-CA 3.36Å; I351-F355 WeakPolarHBondContact O-CB 3.31Å; I351-F355 PolarHBondContact O-N 2.78Å; F355-G357 VanDerWaalsContact C-N 3.25Å; F355-G357 PolarHBondContact O-N 3.45Å; F355-K358 VanDerWaalsContact CB-O 3.29Å; F355-K358 WeakPolarHBondContact CB-O 3.46Å; F355-K358 PolarHBondContact O-N 2.8Å; F355-K358 VanDerWaalsContact O-N 3.15Å; F355-P360 HydrophobicContact CD1-CB 3.95Å; F355-P360 HydrophobicContact CE1-CB 3.89Å; F355-P360 HydrophobicContact CG-CB 4.43Å; F355-P360 HydrophobicContact CZ-CB 4.31Å; F355-E365 HydrophobicContact CE1-CB 3.81Å; F355-E365 HydrophobicContact CE1-CG 3.8Å; F355-E365 HydrophobicContact CZ-CB 4.07Å; F355-E365 HydrophobicContact CZ-CG 4.35Å; F355-L369 HydrophobicContact CD2-CD2 4.35Å; F355-L369 HydrophobicContact CE2-CD2 3.93Å |
| 356 | G | 96.6 | Very high | 98 | Very high | 64 Ų | 64 | 59.6 Ų | 59.6 | 66% | 0.66 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 32 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I351 K358 | I351-G356 PolarHBondContact O-N 3.5Å; G356-K358 PolarHBondContact O-N 2.89Å |
| 357 | G | 96.8 | Very high | 97.9 | Very high | 25 Ų | 25 | 64.8 Ų | 64.8 | 26% | 0.258 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 6.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | I351 M352 F355 | I351-G357 PolarHBondContact O-N 2.82Å; M352-G357 VanDerWaalsContact SD-CA 3.51Å; F355-G357 VanDerWaalsContact C-N 3.25Å; F355-G357 PolarHBondContact O-N 3.45Å |
| 358 | K | 97.6 | Very high | 97.9 | Very high | 163 Ų | 163 | 67.8 Ų | 67.8 | 71% | 0.709 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -102.6 | 133 | 174.9 | -66.2 | -177.5 | -178.3 | 176 | 0 | 109.5 | I351 F355 G356 | I351-K358 WeakPolarHBondContact CG2-O 3.13Å; F355-K358 VanDerWaalsContact CB-O 3.29Å; F355-K358 WeakPolarHBondContact CB-O 3.46Å; F355-K358 PolarHBondContact O-N 2.8Å; F355-K358 VanDerWaalsContact O-N 3.15Å; G356-K358 PolarHBondContact O-N 2.89Å |
| 359 | F | 98.1 | Very high | 97.9 | Very high | 15 Ų | 15 | 68 Ų | 68 | 7% | 0.066 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 130.8 | 176.4 | -152.5 | -78.9 | 0 | 0 | 0 | 109.9 | P285 W289 I317 I351 I366 L369 I380 F385 | P285-F359 HydrophobicContact CB-CB 4.05Å; P285-F359 HydrophobicContact CB-CD1 3.82Å; P285-F359 HydrophobicContact CB-CD2 4.21Å; P285-F359 HydrophobicContact CB-CE1 4.38Å; P285-F359 HydrophobicContact CB-CG 3.75Å; P285-F359 HydrophobicContact CG-CB 3.81Å; P285-F359 HydrophobicContact CG-CD1 4.5Å; P285-F359 HydrophobicContact CG-CG 4.08Å; W289-F359 HydrophobicContact CB-CE2 3.97Å; W289-F359 HydrophobicContact CB-CZ 4.03Å; W289-F359 AromaticContact CD2-CE2 3.97Å; W289-F359 HydrophobicContact CD2-CE2 3.97Å; W289-F359 HydrophobicContact CD2-CZ 4.41Å; W289-F359 AromaticContact CE3-CE2 3.9Å; W289-F359 HydrophobicContact CE3-CE2 3.9Å; W289-F359 HydrophobicContact CG-CE2 4.04Å; W289-F359 HydrophobicContact CG-CZ 4.12Å; I317-F359 HydrophobicContact CD1-CB 4.13Å; I317-F359 HydrophobicContact CD1-CD2 3.91Å; I351-F359 HydrophobicContact CD1-CD2 3.74Å; I351-F359 HydrophobicContact CD1-CE2 3.76Å; I351-F359 HydrophobicContact CD1-CG 4.49Å; F359-I366 HydrophobicContact CE1-CG1 4.12Å; F359-I366 HydrophobicContact CE1-CG2 4.36Å; F359-L369 HydrophobicContact CE1-CD1 4.18Å; F359-L369 HydrophobicContact CE2-CD1 4.42Å; F359-L369 HydrophobicContact CZ-CD1 3.9Å; F359-I380 HydrophobicContact CD1-CG2 4.45Å; F359-I380 HydrophobicContact CE1-CG2 3.7Å; F359-I380 HydrophobicContact CZ-CD1 4.13Å; F359-I380 HydrophobicContact CZ-CG2 4.18Å; F359-F385 HydrophobicContact CD1-CE2 4.13Å; F359-F385 HydrophobicContact CD1-CZ 4.18Å |
| 360 | P | 97.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 152.5 | 179.4 | 21.9 | -32.8 | 0 | 0 | 0 | 112.4 | F355 E365 I366 L369 F385 | F355-P360 HydrophobicContact CD1-CB 3.95Å; F355-P360 HydrophobicContact CE1-CB 3.89Å; F355-P360 HydrophobicContact CG-CB 4.43Å; F355-P360 HydrophobicContact CZ-CB 4.31Å; P360-E365 HydrophobicContact CB-CB 3.39Å; P360-E365 HydrophobicContact CB-CG 4.41Å; P360-E365 HydrophobicContact CG-CB 4.32Å; P360-I366 HydrophobicContact CB-CG1 4.25Å; P360-I366 HydrophobicContact CG-CG1 4.03Å; P360-I366 WeakPolarHBondContact O-CG1 3.43Å; P360-L369 HydrophobicContact CG-CD1 3.74Å; P360-L369 HydrophobicContact CG-CD2 4.41Å; P360-L369 HydrophobicContact CG-CG 4.16Å; P360-F385 WeakPolarHBondContact O-CE2 3.27Å; P360-F385 WeakPolarHBondContact O-CZ 3.26Å |
| 361 | K | 97.2 | Very high | 97.6 | Very high | 140 Ų | 140 | 69.8 Ų | 69.8 | 61% | 0.609 | 36% | 0.36 | S | S | * | . | trans | -114.8 | -13.6 | -170.7 | -62.6 | -168.1 | 176.5 | -172 | 0 | 114.4 | E365 F385 I387 | K361-E365 PolarHBondContact N-OE2 2.97Å; K361-F385 HydrophobicContact CB-CD1 4.46Å; K361-F385 HydrophobicContact CB-CE1 4.46Å; K361-F385 HydrophobicContact CD-CD1 4.39Å; K361-F385 HydrophobicContact CD-CE1 4.2Å; K361-F385 HydrophobicContact CG-CD1 4.11Å; K361-F385 HydrophobicContact CG-CE1 3.73Å; K361-F385 HydrophobicContact CG-CZ 3.97Å; K361-I387 WeakPolarHBondContact O-CD1 3.24Å | ||
| 362 | T | 97.9 | Very high | 97.5 | Very high | 56 Ų | 56 | 70.4 Ų | 70.4 | 34% | 0.344 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -95.8 | 154.2 | 175.9 | 70 | 0 | 0 | 0 | 0 | 110.5 | E364 E365 I366 | T362-E364 PolarHBondContact O-N 3.15Å; T362-E365 PolarHBondContact N-OE2 3.26Å; T362-E365 PolarHBondContact O-N 3.13Å; T362-E365 VanDerWaalsContact OG1-CB 3.3Å; T362-E365 WeakPolarHBondContact OG1-CB 3.48Å; T362-E365 VanDerWaalsContact OG1-CD 3.25Å; T362-E365 WeakPolarHBondContact OG1-CG 3.32Å; T362-E365 PolarHBondContact OG1-N 3.09Å; T362-E365 PolarHBondContact OG1-OE2 3.3Å; T362-I366 WeakPolarHBondContact O-CB 3.31Å; T362-I366 WeakPolarHBondContact O-CD1 3.44Å; T362-I366 WeakPolarHBondContact O-CG1 3.37Å; T362-I366 PolarHBondContact O-N 3.26Å |
| 363 | V | 97.4 | Very high | 97.3 | Very high | 19 Ų | 19 | 68.9 Ų | 68.9 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 179.6 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | I366 R367 I387 E389 | V363-I366 PolarHBondContact O-N 3.16Å; V363-R367 WeakPolarHBondContact O-CB 3.4Å; V363-R367 PolarHBondContact O-N 2.81Å; V363-I387 HydrophobicContact CG2-CD1 4.38Å; V363-I387 HydrophobicContact CG2-CG2 3.86Å; V363-E389 HydrophobicContact CG1-CG 3.98Å; V363-E389 HydrophobicContact CG2-CB 4.08Å; V363-E389 HydrophobicContact CG2-CG 4.06Å |
| 364 | E | 97.8 | Very high | 97 | Very high | 140 Ų | 140 | 64.7 Ų | 64.7 | 65% | 0.654 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.6 | -47.6 | -179.4 | -64.9 | 70.1 | -154.3 | 0 | 0 | 111.7 | T362 R367 S368 | T362-E364 PolarHBondContact O-N 3.15Å; E364-R367 PolarHBondContact O-N 3.29Å; E364-S368 PolarHBondContact O-N 2.95Å |
| 365 | E | 98 | Very high | 96.8 | Very high | 77 Ų | 77 | 60.7 Ų | 60.7 | 36% | 0.36 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 177.4 | -68.2 | 168.9 | 163.6 | 0 | 0 | 111.6 | F355 P360 K361 T362 R367 S368 | F355-E365 HydrophobicContact CE1-CB 3.81Å; F355-E365 HydrophobicContact CE1-CG 3.8Å; F355-E365 HydrophobicContact CZ-CB 4.07Å; F355-E365 HydrophobicContact CZ-CG 4.35Å; P360-E365 HydrophobicContact CB-CB 3.39Å; P360-E365 HydrophobicContact CB-CG 4.41Å; P360-E365 HydrophobicContact CG-CB 4.32Å; K361-E365 PolarHBondContact N-OE2 2.97Å; T362-E365 PolarHBondContact N-OE2 3.26Å; T362-E365 PolarHBondContact O-N 3.13Å; T362-E365 VanDerWaalsContact OG1-CB 3.3Å; T362-E365 WeakPolarHBondContact OG1-CB 3.48Å; T362-E365 VanDerWaalsContact OG1-CD 3.25Å; T362-E365 WeakPolarHBondContact OG1-CG 3.32Å; T362-E365 PolarHBondContact OG1-N 3.09Å; T362-E365 PolarHBondContact OG1-OE2 3.3Å; E365-R367 VanDerWaalsContact C-N 3.31Å; E365-R367 PolarHBondContact O-N 3.08Å; E365-S368 PolarHBondContact O-N 3.28Å; E365-S368 PolarHBondContact O-OG 2.91Å |
| 366 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.5 | -66 | 164.2 | 0 | 0 | 0 | 110 | F359 P360 T362 V363 S368 L369 I372 A377 I380 F385 | F359-I366 HydrophobicContact CE1-CG1 4.12Å; F359-I366 HydrophobicContact CE1-CG2 4.36Å; P360-I366 HydrophobicContact CB-CG1 4.25Å; P360-I366 HydrophobicContact CG-CG1 4.03Å; P360-I366 WeakPolarHBondContact O-CG1 3.43Å; T362-I366 WeakPolarHBondContact O-CB 3.31Å; T362-I366 WeakPolarHBondContact O-CD1 3.44Å; T362-I366 WeakPolarHBondContact O-CG1 3.37Å; T362-I366 PolarHBondContact O-N 3.26Å; V363-I366 PolarHBondContact O-N 3.16Å; I366-S368 VanDerWaalsContact C-N 3.27Å; I366-S368 PolarHBondContact O-N 2.9Å; I366-L369 WeakPolarHBondContact O-CB 3.27Å; I366-L369 PolarHBondContact O-N 3.43Å; I366-I372 HydrophobicContact CG2-CD1 4.36Å; I366-I372 HydrophobicContact CG2-CG2 4.17Å; I366-I372 WeakPolarHBondContact O-CG2 3.33Å; I366-A377 HydrophobicContact CG2-CB 4.08Å; I366-I380 HydrophobicContact CD1-CG2 4.26Å; I366-I380 HydrophobicContact CG2-CB 4.25Å; I366-I380 HydrophobicContact CG2-CD1 4.24Å; I366-I380 HydrophobicContact CG2-CG2 4.33Å; I366-F385 HydrophobicContact CD1-CD2 3.83Å; I366-F385 HydrophobicContact CD1-CE2 3.81Å |
| 367 | R | 97.4 | Very high | 96.8 | Very high | 151 Ų | 151 | 55.6 Ų | 55.6 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -70.2 | -21 | 179 | -176.1 | 176 | 165.8 | -173.9 | -5 | 113.2 | V363 E364 E365 L369 A377 | V363-R367 WeakPolarHBondContact O-CB 3.4Å; V363-R367 PolarHBondContact O-N 2.81Å; E364-R367 PolarHBondContact O-N 3.29Å; E365-R367 VanDerWaalsContact C-N 3.31Å; E365-R367 PolarHBondContact O-N 3.08Å; R367-L369 PolarHBondContact O-N 3.08Å; R367-A377 HydrophobicContact CB-CB 3.94Å |
| 368 | S | 97.6 | Very high | 96.8 | Very high | 63 Ų | 63 | 54.4 Ų | 54.4 | 44% | 0.441 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -74.1 | -16.2 | 175.8 | 80.7 | 0 | 0 | 0 | 0 | 112.8 | Q350 E364 E365 I366 | Q350-S368 PolarHBondContact NE2-O 3.35Å; E364-S368 PolarHBondContact O-N 2.95Å; E365-S368 PolarHBondContact O-N 3.28Å; E365-S368 PolarHBondContact O-OG 2.91Å; I366-S368 VanDerWaalsContact C-N 3.27Å; I366-S368 PolarHBondContact O-N 2.9Å |
| 369 | L | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -67.3 | 139.3 | 179.7 | -63.5 | 179.1 | 0 | 0 | 0 | 112.4 | A347 Q350 I351 F355 F359 P360 I366 R367 G371 I372 | A347-L369 HydrophobicContact CB-CB 4.25Å; Q350-L369 HydrophobicContact CB-CD2 4.46Å; Q350-L369 HydrophobicContact CG-CD2 4.23Å; I351-L369 HydrophobicContact CD1-CD1 3.86Å; I351-L369 HydrophobicContact CD1-CD2 4.37Å; I351-L369 HydrophobicContact CG1-CD1 3.99Å; I351-L369 HydrophobicContact CG1-CD2 3.65Å; F355-L369 HydrophobicContact CD2-CD2 4.35Å; F355-L369 HydrophobicContact CE2-CD2 3.93Å; F359-L369 HydrophobicContact CE1-CD1 4.18Å; F359-L369 HydrophobicContact CE2-CD1 4.42Å; F359-L369 HydrophobicContact CZ-CD1 3.9Å; P360-L369 HydrophobicContact CG-CD1 3.74Å; P360-L369 HydrophobicContact CG-CD2 4.41Å; P360-L369 HydrophobicContact CG-CG 4.16Å; I366-L369 WeakPolarHBondContact O-CB 3.27Å; I366-L369 PolarHBondContact O-N 3.43Å; R367-L369 PolarHBondContact O-N 3.08Å; L369-G371 PolarHBondContact O-N 3.11Å; L369-I372 HydrophobicContact CB-CB 4.33Å; L369-I372 HydrophobicContact CB-CD1 3.69Å; L369-I372 HydrophobicContact CB-CG1 3.9Å; L369-I372 HydrophobicContact CD1-CD1 3.73Å; L369-I372 HydrophobicContact CG-CD1 4.31Å; L369-I372 PolarHBondContact O-N 3.17Å; L369-I372 VanDerWaalsContact O-N 3.09Å |
| 370 | K | 97.6 | Very high | 96.8 | Very high | 119 Ų | 119 | 45.9 Ų | 45.9 | 52% | 0.517 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 124 | -179.8 | -173 | 65.1 | 173.1 | -172.6 | 0 | 112.3 | N343 A346 A347 Q350 I372 | N343-K370 HydrophobicContact CB-CG 4.45Å; A346-K370 HydrophobicContact CB-CB 4.29Å; A346-K370 HydrophobicContact CB-CG 4.05Å; A347-K370 HydrophobicContact CB-CB 4.17Å; A347-K370 WeakPolarHBondContact CB-O 3.11Å; Q350-K370 VanDerWaalsContact OE1-N 3.07Å; K370-I372 VanDerWaalsContact C-N 3.31Å |
| 371 | G | 94.2 | Very high | 96.8 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 5.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L369 | L369-G371 PolarHBondContact O-N 3.11Š|
| 372 | I | 96.5 | Very high | 96.9 | Very high | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | trans | -97.3 | 113.8 | 173.3 | -57.4 | -162.3 | 0 | 0 | 0 | 109.5 | I366 L369 K370 T376 A377 I380 | I366-I372 HydrophobicContact CG2-CD1 4.36Å; I366-I372 HydrophobicContact CG2-CG2 4.17Å; I366-I372 WeakPolarHBondContact O-CG2 3.33Å; L369-I372 HydrophobicContact CB-CB 4.33Å; L369-I372 HydrophobicContact CB-CD1 3.69Å; L369-I372 HydrophobicContact CB-CG1 3.9Å; L369-I372 HydrophobicContact CD1-CD1 3.73Å; L369-I372 HydrophobicContact CG-CD1 4.31Å; L369-I372 PolarHBondContact O-N 3.17Å; L369-I372 VanDerWaalsContact O-N 3.09Å; K370-I372 VanDerWaalsContact C-N 3.31Å; I372-T376 HydrophobicContact CG1-CG2 4.47Å; I372-T376 HydrophobicContact CG2-CG2 3.99Å; I372-A377 HydrophobicContact CG2-CB 3.95Å; I372-I380 HydrophobicContact CD1-CD1 3.95Å | ||
| 373 | G | 93.5 | Very high | 96.8 | Very high | 31 Ų | 31 | 37 Ų | 37 | 32% | 0.32 | 20% | 0.197 | S | C | . | . | trans | -93.5 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y375 T376 A377 | G373-Y375 VanDerWaalsContact C-N 3.31Å; G373-Y375 PolarHBondContact O-N 3.28Å; G373-T376 PolarHBondContact O-N 3.38Å; G373-T376 VanDerWaalsContact O-N 3.14Å; G373-A377 WeakPolarHBondContact O-CB 2.8Å; G373-A377 PolarHBondContact O-N 3Å | ||
| 374 | P | 93 | Very high | 96.9 | Very high | 64 Ų | 64 | 36.8 Ų | 36.8 | 42% | 0.416 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -53.6 | -42.5 | -178.9 | -27.5 | 34.9 | 0 | 0 | 0 | 114.2 | G378 | P374-G378 PolarHBondContact O-N 3.36Å |
| 375 | Y | 94.2 | Very high | 96.8 | Very high | 42 Ų | 42 | 32.4 Ų | 32.4 | 17% | 0.165 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.4 | -54.8 | 175.6 | 164.4 | -99.3 | 0 | 0 | 0 | 112 | E292 G373 A377 G378 A379 A391 D393 M440 | E292-Y375 VanDerWaalsContact OE2-CE1 3.23Å; E292-Y375 WeakPolarHBondContact OE2-CE1 3.25Å; E292-Y375 VanDerWaalsContact OE2-CZ 3.29Å; E292-Y375 PolarHBondContact OE2-OH 3.37Å; G373-Y375 VanDerWaalsContact C-N 3.31Å; G373-Y375 PolarHBondContact O-N 3.28Å; Y375-A377 VanDerWaalsContact C-N 3.29Å; Y375-A377 PolarHBondContact O-N 3.29Å; Y375-G378 PolarHBondContact O-N 3.32Å; Y375-A379 PolarHBondContact O-N 2.85Å; Y375-A391 HydrophobicContact CD2-CB 4.37Å; Y375-A391 HydrophobicContact CE2-CB 4.27Å; Y375-D393 HydrophobicContact CD2-CB 3.76Å; Y375-D393 HydrophobicContact CE2-CB 3.59Å; Y375-D393 HydrophobicContact CG-CB 4.49Å; Y375-M440 HydrophobicContact CE2-CE 3.56Å; Y375-M440 HydrophobicContact CE2-SD 4.49Å; Y375-M440 WeakPolarHBondContact OH-CE 3.47Å |
| 376 | T | 96.2 | Very high | 96.8 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.9 | -35.8 | -175.8 | -55.6 | 0 | 0 | 0 | 0 | 111 | E292 I293 Q296 I372 G373 A379 I380 | E292-T376 HydrophobicContact CB-CG2 4.18Å; I293-T376 HydrophobicContact CD1-CG2 4.12Å; Q296-T376 PolarHBondContact NE2-OG1 3.22Å; I372-T376 HydrophobicContact CG1-CG2 4.47Å; I372-T376 HydrophobicContact CG2-CG2 3.99Å; G373-T376 PolarHBondContact O-N 3.38Å; G373-T376 VanDerWaalsContact O-N 3.14Å; T376-A379 PolarHBondContact O-N 3.49Å; T376-I380 HydrophobicContact CG2-CD1 3.77Å; T376-I380 HydrophobicContact CG2-CG1 4.45Å; T376-I380 WeakPolarHBondContact O-CD1 3.34Å; T376-I380 VanDerWaalsContact O-CG1 3.28Å; T376-I380 WeakPolarHBondContact O-CG1 3.38Å; T376-I380 PolarHBondContact O-N 3.45Å |
| 377 | A | 97.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -48.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I366 R367 I372 G373 Y375 A379 I380 S381 | I366-A377 HydrophobicContact CG2-CB 4.08Å; R367-A377 HydrophobicContact CB-CB 3.94Å; I372-A377 HydrophobicContact CG2-CB 3.95Å; G373-A377 WeakPolarHBondContact O-CB 2.8Å; G373-A377 PolarHBondContact O-N 3Å; Y375-A377 VanDerWaalsContact C-N 3.29Å; Y375-A377 PolarHBondContact O-N 3.29Å; A377-A379 PolarHBondContact O-N 2.91Å; A377-I380 PolarHBondContact O-N 3.32Å; A377-S381 VanDerWaalsContact O-CB 3.27Å; A377-S381 WeakPolarHBondContact O-CB 3.18Å; A377-S381 PolarHBondContact O-N 3.16Å; A377-S381 PolarHBondContact O-OG 3.31Å |
| 378 | G | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | P374 Y375 S381 S382 | P374-G378 PolarHBondContact O-N 3.36Å; Y375-G378 PolarHBondContact O-N 3.32Å; G378-S381 WeakPolarHBondContact CA-OG 3.4Å; G378-S381 PolarHBondContact O-OG 2.8Å; G378-S382 VanDerWaalsContact O-CB 3.24Å; G378-S382 WeakPolarHBondContact O-CB 3.19Å; G378-S382 PolarHBondContact O-N 3.49Å; G378-S382 PolarHBondContact O-OG 3.4Å |
| 379 | A | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.2 | -49.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E292 Y375 T376 A377 S382 I383 A391 M440 | E292-A379 HydrophobicContact CG-CB 4.1Å; Y375-A379 PolarHBondContact O-N 2.85Å; T376-A379 PolarHBondContact O-N 3.49Å; A377-A379 PolarHBondContact O-N 2.91Å; A379-S382 PolarHBondContact O-OG 3.18Å; A379-I383 VanDerWaalsContact O-CB 3.31Å; A379-I383 WeakPolarHBondContact O-CB 3.38Å; A379-I383 WeakPolarHBondContact O-CD1 3.35Å; A379-I383 WeakPolarHBondContact O-CG1 3.4Å; A379-I383 PolarHBondContact O-N 3Å; A379-A391 HydrophobicContact CB-CB 3.99Å; A379-M440 HydrophobicContact CB-CE 4.31Å |
| 380 | I | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.2 | -47.1 | -179.6 | -64.5 | 163 | 0 | 0 | 0 | 110.9 | P285 I288 W289 F359 I366 I372 T376 A377 S382 I383 A384 F385 | P285-I380 HydrophobicContact CB-CG2 4.45Å; I288-I380 HydrophobicContact CG2-CG1 4.17Å; W289-I380 HydrophobicContact CB-CD1 3.77Å; W289-I380 HydrophobicContact CB-CG1 4.3Å; W289-I380 HydrophobicContact CG-CD1 4.07Å; F359-I380 HydrophobicContact CD1-CG2 4.45Å; F359-I380 HydrophobicContact CE1-CG2 3.7Å; F359-I380 HydrophobicContact CZ-CD1 4.13Å; F359-I380 HydrophobicContact CZ-CG2 4.18Å; I366-I380 HydrophobicContact CD1-CG2 4.26Å; I366-I380 HydrophobicContact CG2-CB 4.25Å; I366-I380 HydrophobicContact CG2-CD1 4.24Å; I366-I380 HydrophobicContact CG2-CG2 4.33Å; I372-I380 HydrophobicContact CD1-CD1 3.95Å; T376-I380 HydrophobicContact CG2-CD1 3.77Å; T376-I380 HydrophobicContact CG2-CG1 4.45Å; T376-I380 WeakPolarHBondContact O-CD1 3.34Å; T376-I380 VanDerWaalsContact O-CG1 3.28Å; T376-I380 WeakPolarHBondContact O-CG1 3.38Å; T376-I380 PolarHBondContact O-N 3.45Å; A377-I380 PolarHBondContact O-N 3.32Å; I380-S382 VanDerWaalsContact C-N 3.34Å; I380-S382 PolarHBondContact O-N 3.48Å; I380-I383 PolarHBondContact O-N 3.08Å; I380-A384 HydrophobicContact CG2-CB 4.43Å; I380-A384 WeakPolarHBondContact O-CB 3.27Å; I380-A384 PolarHBondContact O-N 3.36Å; I380-F385 HydrophobicContact CG2-CE2 4.31Å |
| 381 | S | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63 | -41 | -176.7 | 64.6 | 0 | 0 | 0 | 0 | 112.2 | A377 G378 F385 E386 I387 E389 | A377-S381 VanDerWaalsContact O-CB 3.27Å; A377-S381 WeakPolarHBondContact O-CB 3.18Å; A377-S381 PolarHBondContact O-N 3.16Å; A377-S381 PolarHBondContact O-OG 3.31Å; G378-S381 WeakPolarHBondContact CA-OG 3.4Å; G378-S381 PolarHBondContact O-OG 2.8Å; S381-F385 CarbonylContact O-C 3.34Å; S381-F385 WeakPolarHBondContact O-CA 3.35Å; S381-F385 WeakPolarHBondContact O-CB 3.35Å; S381-F385 PolarHBondContact O-N 3.37Å; S381-F385 VanDerWaalsContact O-N 3.13Å; S381-E386 PolarHBondContact O-N 2.91Å; S381-I387 PolarHBondContact O-N 2.83Å; S381-I387 VanDerWaalsContact O-N 3.12Å; S381-E389 WeakPolarHBondContact OG-CB 2.87Å |
| 382 | S | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -74 | -41.1 | 178.9 | 61.9 | 0 | 0 | 0 | 0 | 113.7 | G378 A379 I380 E386 I387 G433 N436 | G378-S382 VanDerWaalsContact O-CB 3.24Å; G378-S382 WeakPolarHBondContact O-CB 3.19Å; G378-S382 PolarHBondContact O-N 3.49Å; G378-S382 PolarHBondContact O-OG 3.4Å; A379-S382 PolarHBondContact O-OG 3.18Å; I380-S382 VanDerWaalsContact C-N 3.34Å; I380-S382 PolarHBondContact O-N 3.48Å; S382-E386 WeakPolarHBondContact O-CA 3.29Å; S382-E386 PolarHBondContact O-N 3.29Å; S382-I387 WeakPolarHBondContact CA-O 3.16Å; S382-I387 VanDerWaalsContact CB-O 3.23Å; S382-I387 WeakPolarHBondContact CB-O 3.46Å; S382-G433 VanDerWaalsContact C-CA 3.47Å; S382-G433 WeakPolarHBondContact O-CA 3.42Å; S382-G433 PolarHBondContact O-N 2.99Å; S382-N436 VanDerWaalsContact CB-ND2 3.26Å; S382-N436 WeakPolarHBondContact CB-ND2 3.07Å; S382-N436 PolarHBondContact OG-ND2 3.41Å |
| 383 | I | 97.4 | Very high | 95.9 | Very high | 14 Ų | 14 | 23.8 Ų | 23.8 | 7% | 0.072 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -79.4 | -43 | -176 | -58.4 | 167.1 | 0 | 0 | 0 | 111.4 | I288 A379 I380 Q437 | I288-I383 HydrophobicContact CD1-CB 4.01Å; I288-I383 HydrophobicContact CD1-CG2 3.44Å; I288-I383 VanDerWaalsContact CD1-CG2 3.44Å; I288-I383 HydrophobicContact CG1-CG2 4Å; I288-I383 HydrophobicContact CG2-CB 4.35Å; I288-I383 HydrophobicContact CG2-CD1 4.25Å; I288-I383 HydrophobicContact CG2-CG2 4.47Å; A379-I383 VanDerWaalsContact O-CB 3.31Å; A379-I383 WeakPolarHBondContact O-CB 3.38Å; A379-I383 WeakPolarHBondContact O-CD1 3.35Å; A379-I383 WeakPolarHBondContact O-CG1 3.4Å; A379-I383 PolarHBondContact O-N 3Å; I380-I383 PolarHBondContact O-N 3.08Å; I383-Q437 HydrophobicContact CD1-CG 3.64Å; I383-Q437 HydrophobicContact CG1-CG 4.01Å |
| 384 | A | 97.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 24 Ų | 24 | 11% | 0.107 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -89.3 | -30.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P285 I288 I380 | P285-A384 HydrophobicContact CB-CB 3.76Å; I288-A384 HydrophobicContact CD1-CB 3.72Å; I380-A384 HydrophobicContact CG2-CB 4.43Å; I380-A384 WeakPolarHBondContact O-CB 3.27Å; I380-A384 PolarHBondContact O-N 3.36Å |
| 385 | F | 97.6 | Very high | 94.6 | Very high | 48 Ų | 48 | 23.2 Ų | 23.2 | 21% | 0.211 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -124.5 | 6.9 | -171.4 | -53.9 | -59.8 | 0 | 0 | 0 | 113.9 | P285 F359 P360 K361 I366 I380 S381 I387 | P285-F385 HydrophobicContact CB-CE2 4.15Å; P285-F385 HydrophobicContact CB-CZ 3.74Å; P285-F385 HydrophobicContact CG-CE1 4.31Å; P285-F385 HydrophobicContact CG-CZ 3.86Å; F359-F385 HydrophobicContact CD1-CE2 4.13Å; F359-F385 HydrophobicContact CD1-CZ 4.18Å; P360-F385 WeakPolarHBondContact O-CE2 3.27Å; P360-F385 WeakPolarHBondContact O-CZ 3.26Å; K361-F385 HydrophobicContact CB-CD1 4.46Å; K361-F385 HydrophobicContact CB-CE1 4.46Å; K361-F385 HydrophobicContact CD-CD1 4.39Å; K361-F385 HydrophobicContact CD-CE1 4.2Å; K361-F385 HydrophobicContact CG-CD1 4.11Å; K361-F385 HydrophobicContact CG-CE1 3.73Å; K361-F385 HydrophobicContact CG-CZ 3.97Å; I366-F385 HydrophobicContact CD1-CD2 3.83Å; I366-F385 HydrophobicContact CD1-CE2 3.81Å; I380-F385 HydrophobicContact CG2-CE2 4.31Å; S381-F385 CarbonylContact O-C 3.34Å; S381-F385 WeakPolarHBondContact O-CA 3.35Å; S381-F385 WeakPolarHBondContact O-CB 3.35Å; S381-F385 PolarHBondContact O-N 3.37Å; S381-F385 VanDerWaalsContact O-N 3.13Å; F385-I387 HydrophobicContact CB-CD1 4.13Å; F385-I387 HydrophobicContact CB-CG1 4.12Å; F385-I387 PolarHBondContact O-N 3.45Å; F385-I387 VanDerWaalsContact O-N 3.13Å |
| 386 | E | 96.8 | Very high | 94.2 | Very high | 111 Ų | 111 | 21.2 Ų | 21.2 | 52% | 0.519 | 12% | 0.119 | S | C | . | . | trans | 54.5 | 30.1 | 178.1 | -57.1 | -172.4 | 142.9 | 0 | 0 | 113.7 | S381 S382 P432 | S381-E386 PolarHBondContact O-N 2.91Å; S382-E386 WeakPolarHBondContact O-CA 3.29Å; S382-E386 PolarHBondContact O-N 3.29Å; E386-P432 VanDerWaalsContact C-CG 3.45Å; E386-P432 HydrophobicContact CB-CG 4.43Å; E386-P432 WeakPolarHBondContact O-CG 3.24Å | ||
| 387 | I | 97.6 | Very high | 93.5 | Very high | 48 Ų | 48 | 22 Ų | 22 | 25% | 0.246 | 12% | 0.122 | C | C | . | . | trans | -82.6 | 129.6 | 175.4 | -60 | 175.2 | 0 | 0 | 0 | 108.5 | K361 V363 S381 S382 F385 E389 | K361-I387 WeakPolarHBondContact O-CD1 3.24Å; V363-I387 HydrophobicContact CG2-CD1 4.38Å; V363-I387 HydrophobicContact CG2-CG2 3.86Å; S381-I387 PolarHBondContact O-N 2.83Å; S381-I387 VanDerWaalsContact O-N 3.12Å; S382-I387 WeakPolarHBondContact CA-O 3.16Å; S382-I387 VanDerWaalsContact CB-O 3.23Å; S382-I387 WeakPolarHBondContact CB-O 3.46Å; F385-I387 HydrophobicContact CB-CD1 4.13Å; F385-I387 HydrophobicContact CB-CG1 4.12Å; F385-I387 PolarHBondContact O-N 3.45Å; F385-I387 VanDerWaalsContact O-N 3.13Å; I387-E389 HydrophobicContact CG2-CB 4.23Å; I387-E389 PolarHBondContact O-N 3.41Å | ||
| 388 | P | 96.4 | Very high | 92.4 | Very high | 41 Ų | 41 | 24.2 Ų | 24.2 | 27% | 0.266 | 13% | 0.131 | S | C | . | . | trans | -74.7 | 55.4 | -179.5 | 33.4 | -37.8 | 0 | 0 | 0 | 112.8 | I427 Q429 P432 | P388-I427 HydrophobicContact CB-CG2 4.37Å; P388-Q429 VanDerWaalsContact CB-OE1 3.32Å; P388-P432 HydrophobicContact CB-CB 4.2Å | ||
| 389 | E | 97.5 | Very high | 91.3 | Very high | 39 Ų | 39 | 24.3 Ų | 24.3 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | trans | -98.9 | 125.8 | 177.9 | -171.8 | 60.2 | -164.4 | 0 | 0 | 110.7 | V363 S381 I387 A391 R424 N436 | V363-E389 HydrophobicContact CG1-CG 3.98Å; V363-E389 HydrophobicContact CG2-CB 4.08Å; V363-E389 HydrophobicContact CG2-CG 4.06Å; S381-E389 WeakPolarHBondContact OG-CB 2.87Å; I387-E389 HydrophobicContact CG2-CB 4.23Å; I387-E389 PolarHBondContact O-N 3.41Å; E389-A391 PolarHBondContact O-N 2.9Å; E389-R424 IonicContact OE1-CZ 2.66Å; E389-R424 IonicContact OE1-NH1 3.48Å; E389-R424 IonicContact OE1-NH2 2.63Å; E389-R424 PolarHBondContact OE1-NH2 3.11Å; E389-R424 IonicContact OE2-CZ 2.76Å; E389-R424 IonicContact OE2-NH1 2.69Å; E389-R424 PolarHBondContact OE2-NH1 3.28Å; E389-R424 IonicContact OE2-NH2 3.88Å; E389-R424 PolarHBondContact OE2-NH2 3.47Å; E389-N436 PolarHBondContact O-ND2 3.37Å | ||
| 390 | P | 96.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.032 | 13% | 0.131 | C | C | . | . | trans | -62 | 128 | 179 | -26.7 | 36.2 | 0 | 0 | 0 | 114.1 | I392 M423 R424 | P390-I392 HydrophobicContact CB-CD1 3.83Å; P390-I392 HydrophobicContact CB-CG1 3.8Å; P390-M423 HydrophobicContact CB-CB 3.73Å; P390-M423 HydrophobicContact CB-CE 4.48Å; P390-M423 HydrophobicContact CB-CG 4.37Å; P390-M423 HydrophobicContact CG-CB 3.84Å; P390-R424 HydrophobicContact CG-CG 3.75Å | ||
| 391 | A | 95.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -100.2 | 81.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y375 A379 E389 V396 N436 M440 | Y375-A391 HydrophobicContact CD2-CB 4.37Å; Y375-A391 HydrophobicContact CE2-CB 4.27Å; A379-A391 HydrophobicContact CB-CB 3.99Å; E389-A391 PolarHBondContact O-N 2.9Å; A391-V396 WeakPolarHBondContact O-CG2 3.42Å; A391-N436 HydrophobicContact CB-CB 4Å; A391-N436 PolarHBondContact N-ND2 2.96Å; A391-N436 PolarHBondContact N-OD1 2.95Å; A391-M440 HydrophobicContact CB-CE 3.39Å | ||
| 392 | I | 91.3 | Very high | 87.8 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | trans | -93.7 | 107.1 | -169.8 | -55.8 | 174 | 0 | 0 | 0 | 112 | P390 V396 M397 R416 F419 D420 M423 | P390-I392 HydrophobicContact CB-CD1 3.83Å; P390-I392 HydrophobicContact CB-CG1 3.8Å; I392-V396 HydrophobicContact CG1-CG1 4.36Å; I392-V396 HydrophobicContact CG2-CG1 4.39Å; I392-M397 HydrophobicContact CG2-CE 3.73Å; I392-M397 HydrophobicContact CG2-CG 3.56Å; I392-M397 HydrophobicContact CG2-SD 4.46Å; I392-R416 PolarHBondContact O-NH2 3.28Å; I392-F419 HydrophobicContact CD1-CB 4.18Å; I392-F419 HydrophobicContact CG2-CB 4.21Å; I392-D420 VanDerWaalsContact CD1-CA 3.45Å; I392-D420 HydrophobicContact CD1-CB 4.02Å; I392-M423 HydrophobicContact CD1-CB 4.19Å; I392-M423 HydrophobicContact CD1-CG 3.96Å; I392-M423 HydrophobicContact CG1-CG 4.01Å | ||
| 393 | D | 87.1 | Confident | 86.4 | Confident | 36 Ų | 36 | 28.8 Ų | 28.8 | 19% | 0.193 | 15% | 0.151 | C | C | . | . | trans | -107.8 | -174.7 | 166.4 | 76.6 | -13.8 | 0 | 0 | 0 | 111.4 | Y375 N395 V396 M397 | Y375-D393 HydrophobicContact CD2-CB 3.76Å; Y375-D393 HydrophobicContact CE2-CB 3.59Å; Y375-D393 HydrophobicContact CG-CB 4.49Å; D393-N395 PolarHBondContact O-N 3.25Å; D393-N395 WeakPolarHBondContact OD1-CA 3.47Å; D393-N395 WeakPolarHBondContact OD1-CB 3.39Å; D393-N395 PolarHBondContact OD1-N 3.33Å; D393-N395 PolarHBondContact OD2-ND2 2.88Å; D393-V396 PolarHBondContact O-N 3.38Å; D393-V396 WeakPolarHBondContact OD1-CG2 3.23Å; D393-V396 PolarHBondContact OD1-N 3.35Å; D393-M397 WeakPolarHBondContact O-CG 3.47Å; D393-M397 PolarHBondContact O-N 3.04Å | ||
| 394 | G | 79.1 | Confident | 84.9 | Confident | 36 Ų | 36 | 28.7 Ų | 28.7 | 37% | 0.371 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64.9 | -24.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R398 | G394-R398 WeakPolarHBondContact O-CB 3.45Å; G394-R398 PolarHBondContact O-N 2.98Å |
| 395 | N | 79.4 | Confident | 83.5 | Confident | 47 Ų | 47 | 29.6 Ų | 29.6 | 25% | 0.251 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -73.8 | -46.5 | 175.6 | -63.7 | -45.3 | 0 | 0 | 0 | 110.4 | D393 R398 V399 | D393-N395 PolarHBondContact O-N 3.25Å; D393-N395 WeakPolarHBondContact OD1-CA 3.47Å; D393-N395 WeakPolarHBondContact OD1-CB 3.39Å; D393-N395 PolarHBondContact OD1-N 3.33Å; D393-N395 PolarHBondContact OD2-ND2 2.88Å; N395-R398 WeakPolarHBondContact O-CB 3.34Å; N395-R398 PolarHBondContact O-N 3.23Å; N395-V399 WeakPolarHBondContact O-CG2 3.3Å; N395-V399 PolarHBondContact O-N 3.37Å; N395-V399 VanDerWaalsContact O-N 3.16Å |
| 396 | V | 85.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 175.9 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | A391 I392 D393 R398 V399 V400 M423 M439 M440 | A391-V396 WeakPolarHBondContact O-CG2 3.42Å; I392-V396 HydrophobicContact CG1-CG1 4.36Å; I392-V396 HydrophobicContact CG2-CG1 4.39Å; D393-V396 PolarHBondContact O-N 3.38Å; D393-V396 WeakPolarHBondContact OD1-CG2 3.23Å; D393-V396 PolarHBondContact OD1-N 3.35Å; V396-R398 PolarHBondContact O-N 3.2Å; V396-V399 PolarHBondContact O-N 3.2Å; V396-V400 HydrophobicContact CG1-CG2 3.77Å; V396-V400 WeakPolarHBondContact O-CB 3.46Å; V396-V400 VanDerWaalsContact O-CG2 3.24Å; V396-V400 WeakPolarHBondContact O-CG2 3.42Å; V396-V400 PolarHBondContact O-N 3.39Å; V396-M423 HydrophobicContact CG1-CE 4.19Å; V396-M423 HydrophobicContact CG1-CG 4.17Å; V396-M423 HydrophobicContact CG1-SD 3.77Å; V396-M439 HydrophobicContact CG1-CB 4.48Å; V396-M439 HydrophobicContact CG1-CE 4.2Å; V396-M439 HydrophobicContact CG2-CB 3.85Å; V396-M440 HydrophobicContact CG2-CG 4.03Å |
| 397 | M | 82 | Confident | 80.6 | Confident | 18 Ų | 18 | 29.6 Ų | 29.6 | 9% | 0.089 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.9 | -40.2 | 176.3 | -73.1 | 179.8 | 175.8 | 0 | 0 | 112 | I392 D393 V399 S401 I410 R416 F419 | I392-M397 HydrophobicContact CG2-CE 3.73Å; I392-M397 HydrophobicContact CG2-CG 3.56Å; I392-M397 HydrophobicContact CG2-SD 4.46Å; D393-M397 WeakPolarHBondContact O-CG 3.47Å; D393-M397 PolarHBondContact O-N 3.04Å; M397-V399 PolarHBondContact O-N 2.91Å; M397-S401 VanDerWaalsContact O-CB 3.25Å; M397-S401 WeakPolarHBondContact O-CB 3.27Å; M397-S401 PolarHBondContact O-N 2.67Å; M397-S401 PolarHBondContact O-OG 3.44Å; M397-S401 VanDerWaalsContact O-OG 3.11Å; M397-I410 HydrophobicContact CB-CG2 3.98Å; M397-I410 HydrophobicContact SD-CB 4.15Å; M397-I410 HydrophobicContact SD-CG2 4.38Å; M397-R416 HydrophobicContact CE-CB 4.11Å; M397-R416 HydrophobicContact CE-CG 3.76Å; M397-F419 HydrophobicContact CB-CD1 4.16Å; M397-F419 HydrophobicContact CB-CE1 4.09Å; M397-F419 HydrophobicContact CB-CG 4.46Å; M397-F419 HydrophobicContact CB-CZ 4.34Å; M397-F419 HydrophobicContact CE-CD2 4.28Å; M397-F419 HydrophobicContact CG-CB 4.41Å; M397-F419 HydrophobicContact CG-CD1 4.06Å; M397-F419 HydrophobicContact CG-CD2 4.03Å; M397-F419 HydrophobicContact CG-CE1 4.38Å; M397-F419 HydrophobicContact CG-CE2 4.36Å; M397-F419 HydrophobicContact CG-CG 3.89Å; M397-F419 WeakPolarHBondContact O-CE1 3.29Å; M397-F419 HydrophobicContact SD-CD2 4.34Å |
| 398 | R | 73.2 | Confident | 79.2 | Confident | 48 Ų | 48 | 28.4 Ų | 28.4 | 18% | 0.181 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.9 | -33.7 | 178.1 | -161.9 | -161.9 | -42.4 | -62.6 | -8.7 | 113.6 | G394 N395 V396 S401 R402 | G394-R398 WeakPolarHBondContact O-CB 3.45Å; G394-R398 PolarHBondContact O-N 2.98Å; N395-R398 WeakPolarHBondContact O-CB 3.34Å; N395-R398 PolarHBondContact O-N 3.23Å; V396-R398 PolarHBondContact O-N 3.2Å; R398-S401 PolarHBondContact O-OG 3.48Å; R398-R402 WeakPolarHBondContact O-CG 3.09Å |
| 399 | V | 76 | Confident | 78 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -75.6 | -50.7 | 176.5 | 175.1 | 0 | 0 | 0 | 0 | 109.3 | N395 V396 M397 S401 R402 L403 M439 L442 G443 | N395-V399 WeakPolarHBondContact O-CG2 3.3Å; N395-V399 PolarHBondContact O-N 3.37Å; N395-V399 VanDerWaalsContact O-N 3.16Å; V396-V399 PolarHBondContact O-N 3.2Å; M397-V399 PolarHBondContact O-N 2.91Å; V399-S401 PolarHBondContact O-N 2.88Å; V399-R402 PolarHBondContact O-N 3.22Å; V399-L403 HydrophobicContact CG1-CD1 3.75Å; V399-L403 HydrophobicContact CG1-CG 4.14Å; V399-L403 WeakPolarHBondContact O-CG 3.35Å; V399-L403 PolarHBondContact O-N 3.4Å; V399-M439 HydrophobicContact CB-CE 3.9Å; V399-M439 HydrophobicContact CG1-CE 3.48Å; V399-M439 VanDerWaalsContact CG1-CE 3.48Å; V399-M439 HydrophobicContact CG1-SD 3.99Å; V399-L442 HydrophobicContact CG1-CD2 3.72Å; V399-L442 HydrophobicContact CG1-CG 4.5Å; V399-L442 HydrophobicContact CG2-CB 4.41Å; V399-L442 HydrophobicContact CG2-CD2 4.17Å; V399-L442 HydrophobicContact CG2-CG 4.07Å; V399-G443 VanDerWaalsContact CG2-CA 3.47Å |
| 400 | V | 77.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | -177.9 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | V396 R402 L403 F404 I406 F419 A422 M423 M439 | V396-V400 HydrophobicContact CG1-CG2 3.77Å; V396-V400 WeakPolarHBondContact O-CB 3.46Å; V396-V400 VanDerWaalsContact O-CG2 3.24Å; V396-V400 WeakPolarHBondContact O-CG2 3.42Å; V396-V400 PolarHBondContact O-N 3.39Å; V400-R402 VanDerWaalsContact C-N 3.25Å; V400-R402 PolarHBondContact O-N 2.9Å; V400-L403 PolarHBondContact O-N 3.31Å; V400-F404 HydrophobicContact CB-CD2 4.41Å; V400-F404 HydrophobicContact CG1-CD2 3.56Å; V400-F404 HydrophobicContact CG1-CE2 3.96Å; V400-F404 WeakPolarHBondContact O-CB 3.42Å; V400-F404 WeakPolarHBondContact O-CD2 3.34Å; V400-F404 PolarHBondContact O-N 3.18Å; V400-I406 HydrophobicContact CG1-CD1 3.87Å; V400-F419 HydrophobicContact CB-CD1 3.96Å; V400-F419 HydrophobicContact CB-CE1 4.47Å; V400-F419 HydrophobicContact CG1-CD1 3.78Å; V400-F419 HydrophobicContact CG1-CE1 4.47Å; V400-A422 HydrophobicContact CG1-CB 3.64Å; V400-M423 HydrophobicContact CG2-CG 3.87Å; V400-M423 HydrophobicContact CG2-SD 3.51Å; V400-M423 VanDerWaalsContact CG2-SD 3.51Å; V400-M439 HydrophobicContact CG2-CE 3.43Å; V400-M439 VanDerWaalsContact CG2-CE 3.43Å |
| 401 | S | 73 | Confident | 75.7 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 8% | 0.084 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.3 | -38.8 | 177 | 63.6 | 0 | 0 | 0 | 0 | 112.2 | M397 R398 V399 C405 I406 | M397-S401 VanDerWaalsContact O-CB 3.25Å; M397-S401 WeakPolarHBondContact O-CB 3.27Å; M397-S401 PolarHBondContact O-N 2.67Å; M397-S401 PolarHBondContact O-OG 3.44Å; M397-S401 VanDerWaalsContact O-OG 3.11Å; R398-S401 PolarHBondContact O-OG 3.48Å; V399-S401 PolarHBondContact O-N 2.88Å; S401-C405 CarbonylContact O-C 3.41Å; S401-C405 WeakPolarHBondContact O-CA 3.49Å; S401-C405 PolarHBondContact O-N 2.76Å; S401-I406 WeakPolarHBondContact CB-O 3.32Å; S401-I406 PolarHBondContact O-N 3.34Å |
| 402 | R | 69.3 | Low | 74.7 | Confident | 66 Ų | 66 | 36.1 Ų | 36.1 | 25% | 0.249 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.4 | -53.5 | 175.7 | -66.4 | 176.2 | -177.7 | 140.5 | -11.7 | 111 | R398 V399 V400 F404 C405 W505 | R398-R402 WeakPolarHBondContact O-CG 3.09Å; V399-R402 PolarHBondContact O-N 3.22Å; V400-R402 VanDerWaalsContact C-N 3.25Å; V400-R402 PolarHBondContact O-N 2.9Å; R402-F404 PolarHBondContact O-N 3.21Å; R402-F404 VanDerWaalsContact O-N 3.12Å; R402-C405 PolarHBondContact O-N 3.33Å; R402-W505 VanDerWaalsContact C-CH2 3.49Å; R402-W505 VanDerWaalsContact C-CZ3 3.49Å; R402-W505 HydrophobicContact CB-CD2 4.35Å; R402-W505 HydrophobicContact CB-CE3 4.26Å; R402-W505 HydrophobicContact CB-CH2 4.48Å; R402-W505 HydrophobicContact CB-CZ2 4.5Å; R402-W505 HydrophobicContact CB-CZ3 4.35Å; R402-W505 WeakPolarHBondContact O-CH2 3.35Å; R402-W505 WeakPolarHBondContact O-CZ3 3.38Å |
| 403 | L | 67.5 | Low | 74 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -49.9 | -43.2 | 179.5 | -74.2 | 178.3 | 0 | 0 | 0 | 112.4 | V399 V400 I426 M439 I478 N482 L486 W505 | V399-L403 HydrophobicContact CG1-CD1 3.75Å; V399-L403 HydrophobicContact CG1-CG 4.14Å; V399-L403 WeakPolarHBondContact O-CG 3.35Å; V399-L403 PolarHBondContact O-N 3.4Å; V400-L403 PolarHBondContact O-N 3.31Å; L403-I426 HydrophobicContact CD1-CD1 4.38Å; L403-M439 HydrophobicContact CD1-CE 4.28Å; L403-I478 VanDerWaalsContact O-CG2 3.29Å; L403-I478 WeakPolarHBondContact O-CG2 3.49Å; L403-N482 PolarHBondContact O-ND2 3.32Å; L403-L486 HydrophobicContact CD2-CD1 3.8Å; L403-L486 HydrophobicContact CD2-CD2 4.1Å; L403-L486 HydrophobicContact CD2-CG 4.42Å; L403-W505 HydrophobicContact CD2-CH2 4.41Å; L403-W505 HydrophobicContact CD2-CZ2 4.1Å |
| 404 | F | 67.3 | Low | 73.7 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 6% | 0.057 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -106 | 4.5 | -173.9 | -64.9 | -83 | 0 | 0 | 0 | 115 | V400 R402 I406 A422 I426 I475 I478 L479 | V400-F404 HydrophobicContact CB-CD2 4.41Å; V400-F404 HydrophobicContact CG1-CD2 3.56Å; V400-F404 HydrophobicContact CG1-CE2 3.96Å; V400-F404 WeakPolarHBondContact O-CB 3.42Å; V400-F404 WeakPolarHBondContact O-CD2 3.34Å; V400-F404 PolarHBondContact O-N 3.18Å; R402-F404 PolarHBondContact O-N 3.21Å; R402-F404 VanDerWaalsContact O-N 3.12Å; F404-I406 HydrophobicContact CB-CD1 3.91Å; F404-I406 HydrophobicContact CB-CG1 3.71Å; F404-I406 PolarHBondContact O-N 2.87Å; F404-A422 HydrophobicContact CD1-CB 4.48Å; F404-A422 HydrophobicContact CD2-CB 3.85Å; F404-A422 HydrophobicContact CE2-CB 3.94Å; F404-A422 HydrophobicContact CG-CB 4.1Å; F404-A422 HydrophobicContact CZ-CB 4.29Å; F404-I426 HydrophobicContact CE1-CG2 4.37Å; F404-I426 HydrophobicContact CE2-CD1 3.59Å; F404-I426 HydrophobicContact CE2-CG1 4.25Å; F404-I426 HydrophobicContact CE2-CG2 4.48Å; F404-I426 HydrophobicContact CZ-CB 4.42Å; F404-I426 HydrophobicContact CZ-CD1 3.8Å; F404-I426 HydrophobicContact CZ-CG1 4.08Å; F404-I426 HydrophobicContact CZ-CG2 3.58Å; F404-I475 HydrophobicContact CD1-CG2 4.23Å; F404-I475 HydrophobicContact CE1-CG2 4.2Å; F404-I478 HydrophobicContact CB-CG2 4.37Å; F404-I478 HydrophobicContact CD1-CG2 3.95Å; F404-I478 HydrophobicContact CG-CG2 4.47Å; F404-I478 WeakPolarHBondContact O-CD1 3.45Å; F404-L479 HydrophobicContact CE1-CD2 3.55Å; F404-L479 HydrophobicContact CE1-CG 4.03Å; F404-L479 HydrophobicContact CZ-CD2 3.99Å |
| 405 | C | 68.3 | Low | 73.7 | Confident | 32 Ų | 32 | 41.4 Ų | 41.4 | 22% | 0.216 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 42.7 | -174.4 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | S401 R402 E407 L512 | S401-C405 CarbonylContact O-C 3.41Å; S401-C405 WeakPolarHBondContact O-CA 3.49Å; S401-C405 PolarHBondContact O-N 2.76Å; R402-C405 PolarHBondContact O-N 3.33Å; C405-E407 PolarHBondContact O-N 3.5Å; C405-L512 HydrophobicContact CB-CD1 4.1Å |
| 406 | I | 66.9 | Low | 73.9 | Confident | 27 Ų | 27 | 43.3 Ų | 43.3 | 14% | 0.138 | 25% | 0.245 | C | C | . | . | trans | -80.3 | 115 | 177.6 | -58.9 | 169.5 | 0 | 0 | 0 | 107.7 | V400 S401 F404 A408 F418 F419 A422 | V400-I406 HydrophobicContact CG1-CD1 3.87Å; S401-I406 WeakPolarHBondContact CB-O 3.32Å; S401-I406 PolarHBondContact O-N 3.34Å; F404-I406 HydrophobicContact CB-CD1 3.91Å; F404-I406 HydrophobicContact CB-CG1 3.71Å; F404-I406 PolarHBondContact O-N 2.87Å; I406-A408 VanDerWaalsContact C-N 3.33Å; I406-A408 HydrophobicContact CG2-CB 3.72Å; I406-F418 HydrophobicContact CG2-CB 4.32Å; I406-F419 HydrophobicContact CB-CE1 4.23Å; I406-F419 HydrophobicContact CB-CZ 4.36Å; I406-F419 HydrophobicContact CD1-CD1 3.96Å; I406-F419 HydrophobicContact CD1-CE1 4Å; I406-F419 HydrophobicContact CG2-CE1 4.13Å; I406-F419 HydrophobicContact CG2-CE2 4.33Å; I406-F419 HydrophobicContact CG2-CZ 3.84Å; I406-A422 HydrophobicContact CD1-CB 3.85Å | ||
| 407 | E | 65.6 | Low | 73.8 | Confident | 132 Ų | 132 | 47.2 Ų | 47.2 | 62% | 0.617 | 27% | 0.269 | S | S | * | . | trans | -91.3 | 1.1 | -179.8 | -61.2 | 175.5 | 176.7 | 0 | 0 | 112.7 | C405 D409 | C405-E407 PolarHBondContact O-N 3.5Å; E407-D409 PolarHBondContact O-N 2.91Å | ||
| 408 | A | 68 | Low | 73.6 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -65.8 | 126.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I406 I410 F418 | I406-A408 VanDerWaalsContact C-N 3.33Å; I406-A408 HydrophobicContact CG2-CB 3.72Å; A408-I410 PolarHBondContact O-N 2.95Å; A408-F418 HydrophobicContact CB-CD2 3.86Å; A408-F418 HydrophobicContact CB-CE2 4.36Å |
| 409 | D | 70.9 | Confident | 74.1 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | trans | -54 | 112.8 | 178.8 | 176.1 | 2 | 0 | 0 | 0 | 111.5 | E407 A411 K412 S415 | E407-D409 PolarHBondContact O-N 2.91Å; D409-A411 PolarHBondContact O-N 2.76Å; D409-A411 VanDerWaalsContact O-N 3.17Å; D409-A411 WeakPolarHBondContact OD1-CA 3.28Å; D409-A411 WeakPolarHBondContact OD1-CB 3.14Å; D409-A411 PolarHBondContact OD1-N 3.36Å; D409-K412 HydrophobicContact CB-CD 4.17Å; D409-K412 HydrophobicContact CB-CG 4.24Å; D409-K412 PolarHBondContact O-N 2.88Å; D409-K412 VanDerWaalsContact O-N 3.09Å; D409-K412 WeakPolarHBondContact OD2-CE 3.17Å; D409-S415 WeakPolarHBondContact O-CB 3.24Å; D409-S415 PolarHBondContact O-OG 2.79Å | ||
| 410 | I | 71.9 | Confident | 74.8 | Confident | 38 Ų | 38 | 50.5 Ų | 50.5 | 20% | 0.195 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.8 | -179.2 | 61.6 | 164.2 | 0 | 0 | 0 | 113.5 | M397 A408 K412 F419 L456 D458 | M397-I410 HydrophobicContact CB-CG2 3.98Å; M397-I410 HydrophobicContact SD-CB 4.15Å; M397-I410 HydrophobicContact SD-CG2 4.38Å; A408-I410 PolarHBondContact O-N 2.95Å; I410-K412 VanDerWaalsContact C-N 3.34Å; I410-F419 HydrophobicContact CG2-CE1 4.42Å; I410-F419 HydrophobicContact CG2-CE2 3.88Å; I410-F419 HydrophobicContact CG2-CZ 3.53Å; I410-L456 HydrophobicContact CD1-CD1 3.89Å; I410-L456 HydrophobicContact CD1-CD2 3.47Å; I410-L456 VanDerWaalsContact CD1-CD2 3.47Å; I410-L456 HydrophobicContact CD1-CG 4.35Å; I410-L456 HydrophobicContact CG1-CD1 4.17Å; I410-L456 HydrophobicContact CG1-CD2 4.19Å; I410-D458 WeakPolarHBondContact CG2-OD2 3.47Å |
| 411 | A | 73.4 | Confident | 75.1 | Confident | 87 Ų | 87 | 55.2 Ų | 55.2 | 72% | 0.719 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -21.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D409 | D409-A411 PolarHBondContact O-N 2.76Å; D409-A411 VanDerWaalsContact O-N 3.17Å; D409-A411 WeakPolarHBondContact OD1-CA 3.28Å; D409-A411 WeakPolarHBondContact OD1-CB 3.14Å; D409-A411 PolarHBondContact OD1-N 3.36Å |
| 412 | K | 76.1 | Confident | 75.6 | Confident | 90 Ų | 90 | 54.8 Ų | 54.8 | 39% | 0.391 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -83.3 | 127.3 | 178.2 | -69 | 178.1 | -171 | 172.1 | 0 | 111 | D409 I410 S414 S415 | D409-K412 HydrophobicContact CB-CD 4.17Å; D409-K412 HydrophobicContact CB-CG 4.24Å; D409-K412 PolarHBondContact O-N 2.88Å; D409-K412 VanDerWaalsContact O-N 3.09Å; D409-K412 WeakPolarHBondContact OD2-CE 3.17Å; I410-K412 VanDerWaalsContact C-N 3.34Å; K412-S414 PolarHBondContact O-N 3.2Å; K412-S415 WeakPolarHBondContact O-CB 3.44Å; K412-S415 PolarHBondContact O-N 3.44Å |
| 413 | A | 76.8 | Confident | 76.6 | Confident | 94 Ų | 94 | 51.6 Ų | 51.6 | 78% | 0.777 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -58.5 | -34 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | S415 R416 | A413-S415 PolarHBondContact O-N 3.16Å; A413-R416 VanDerWaalsContact O-CB 3.31Å; A413-R416 WeakPolarHBondContact O-CB 3.5Å; A413-R416 PolarHBondContact O-N 3.25Å |
| 414 | S | 79.8 | Confident | 77.7 | Confident | 86 Ų | 86 | 55.9 Ų | 55.9 | 60% | 0.601 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -64 | -25.7 | 176.8 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | K412 R416 T417 | K412-S414 PolarHBondContact O-N 3.2Å; S414-R416 PolarHBondContact O-N 3.22Å; S414-T417 PolarHBondContact O-OG1 3.05Å; S414-T417 VanDerWaalsContact O-OG1 3.08Å |
| 415 | S | 79.7 | Confident | 78.4 | Confident | 7 Ų | 7 | 59 Ų | 59 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -71.9 | -19.1 | -179.9 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | D409 K412 A413 T417 F418 F419 | D409-S415 WeakPolarHBondContact O-CB 3.24Å; D409-S415 PolarHBondContact O-OG 2.79Å; K412-S415 WeakPolarHBondContact O-CB 3.44Å; K412-S415 PolarHBondContact O-N 3.44Å; A413-S415 PolarHBondContact O-N 3.16Å; S415-T417 PolarHBondContact O-N 2.84Å; S415-F418 WeakPolarHBondContact O-CD2 3.37Å; S415-F418 PolarHBondContact O-N 2.99Å; S415-F418 VanDerWaalsContact O-N 3.1Å; S415-F419 VanDerWaalsContact O-CD2 3.23Å; S415-F419 WeakPolarHBondContact O-CD2 3.46Å |
| 416 | R | 82.3 | Confident | 79.3 | Confident | 87 Ų | 87 | 57.6 Ų | 57.6 | 33% | 0.328 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.2 | -27.6 | -175.7 | -169.2 | 167.2 | -177.6 | 146.5 | 7.3 | 113.2 | I392 M397 A413 S414 F418 F419 D420 | I392-R416 PolarHBondContact O-NH2 3.28Å; M397-R416 HydrophobicContact CE-CB 4.11Å; M397-R416 HydrophobicContact CE-CG 3.76Å; A413-R416 VanDerWaalsContact O-CB 3.31Å; A413-R416 WeakPolarHBondContact O-CB 3.5Å; A413-R416 PolarHBondContact O-N 3.25Å; S414-R416 PolarHBondContact O-N 3.22Å; R416-F418 VanDerWaalsContact C-N 3.35Å; R416-F419 PolarHBondContact O-N 2.91Å; R416-D420 PolarHBondContact O-N 2.98Å |
| 417 | T | 84.2 | Confident | 80.5 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 176.4 | 52.3 | 0 | 0 | 0 | 0 | 111.9 | S414 S415 F419 D420 E421 | S414-T417 PolarHBondContact O-OG1 3.05Å; S414-T417 VanDerWaalsContact O-OG1 3.08Å; S415-T417 PolarHBondContact O-N 2.84Å; T417-F419 VanDerWaalsContact C-N 3.33Å; T417-F419 PolarHBondContact O-N 3.22Å; T417-D420 WeakPolarHBondContact O-CB 3.23Å; T417-D420 PolarHBondContact O-N 3.43Å; T417-E421 WeakPolarHBondContact O-CG 3.49Å; T417-E421 PolarHBondContact O-N 3.29Å |
| 418 | F | 78.4 | Confident | 81.9 | Confident | 93 Ų | 93 | 50.3 Ų | 50.3 | 41% | 0.408 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 177.2 | -58.1 | -69.9 | 0 | 0 | 0 | 112 | I406 A408 S415 R416 A422 | I406-F418 HydrophobicContact CG2-CB 4.32Å; A408-F418 HydrophobicContact CB-CD2 3.86Å; A408-F418 HydrophobicContact CB-CE2 4.36Å; S415-F418 WeakPolarHBondContact O-CD2 3.37Å; S415-F418 PolarHBondContact O-N 2.99Å; S415-F418 VanDerWaalsContact O-N 3.1Å; R416-F418 VanDerWaalsContact C-N 3.35Å; F418-A422 VanDerWaalsContact O-CB 3.32Å; F418-A422 WeakPolarHBondContact O-CB 3.36Å; F418-A422 PolarHBondContact O-N 3.45Å |
| 419 | F | 84.1 | Confident | 83 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.4 | -37 | 176 | -66.7 | -75.2 | 0 | 0 | 0 | 112.2 | I392 M397 V400 I406 I410 S415 R416 T417 M423 | I392-F419 HydrophobicContact CD1-CB 4.18Å; I392-F419 HydrophobicContact CG2-CB 4.21Å; M397-F419 HydrophobicContact CB-CD1 4.16Å; M397-F419 HydrophobicContact CB-CE1 4.09Å; M397-F419 HydrophobicContact CB-CG 4.46Å; M397-F419 HydrophobicContact CB-CZ 4.34Å; M397-F419 HydrophobicContact CE-CD2 4.28Å; M397-F419 HydrophobicContact CG-CB 4.41Å; M397-F419 HydrophobicContact CG-CD1 4.06Å; M397-F419 HydrophobicContact CG-CD2 4.03Å; M397-F419 HydrophobicContact CG-CE1 4.38Å; M397-F419 HydrophobicContact CG-CE2 4.36Å; M397-F419 HydrophobicContact CG-CG 3.89Å; M397-F419 WeakPolarHBondContact O-CE1 3.29Å; M397-F419 HydrophobicContact SD-CD2 4.34Å; V400-F419 HydrophobicContact CB-CD1 3.96Å; V400-F419 HydrophobicContact CB-CE1 4.47Å; V400-F419 HydrophobicContact CG1-CD1 3.78Å; V400-F419 HydrophobicContact CG1-CE1 4.47Å; I406-F419 HydrophobicContact CB-CE1 4.23Å; I406-F419 HydrophobicContact CB-CZ 4.36Å; I406-F419 HydrophobicContact CD1-CD1 3.96Å; I406-F419 HydrophobicContact CD1-CE1 4Å; I406-F419 HydrophobicContact CG2-CE1 4.13Å; I406-F419 HydrophobicContact CG2-CE2 4.33Å; I406-F419 HydrophobicContact CG2-CZ 3.84Å; I410-F419 HydrophobicContact CG2-CE1 4.42Å; I410-F419 HydrophobicContact CG2-CE2 3.88Å; I410-F419 HydrophobicContact CG2-CZ 3.53Å; S415-F419 VanDerWaalsContact O-CD2 3.23Å; S415-F419 WeakPolarHBondContact O-CD2 3.46Å; R416-F419 PolarHBondContact O-N 2.91Å; T417-F419 VanDerWaalsContact C-N 3.33Å; T417-F419 PolarHBondContact O-N 3.22Å; F419-M423 VanDerWaalsContact O-CB 3.31Å; F419-M423 WeakPolarHBondContact O-CB 3.36Å; F419-M423 WeakPolarHBondContact O-CG 3.48Å; F419-M423 PolarHBondContact O-N 2.8Å |
| 420 | D | 89.5 | Confident | 84 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.8 | -51.1 | 174.5 | -170.6 | 79.2 | 0 | 0 | 0 | 111.2 | I392 R416 T417 A422 M423 R424 | I392-D420 VanDerWaalsContact CD1-CA 3.45Å; I392-D420 HydrophobicContact CD1-CB 4.02Å; R416-D420 PolarHBondContact O-N 2.98Å; T417-D420 WeakPolarHBondContact O-CB 3.23Å; T417-D420 PolarHBondContact O-N 3.43Å; D420-A422 VanDerWaalsContact C-N 3.32Å; D420-A422 PolarHBondContact O-N 3.36Å; D420-M423 PolarHBondContact O-N 2.82Å; D420-R424 WeakPolarHBondContact O-CG 3.33Å; D420-R424 PolarHBondContact O-N 3.19Å; D420-R424 IonicContact OD1-CZ 3.12Å; D420-R424 IonicContact OD1-NE 3.75Å; D420-R424 IonicContact OD1-NH2 2.87Å; D420-R424 PolarHBondContact OD1-NH2 2.89Å; D420-R424 IonicContact OD2-CZ 3.82Å; D420-R424 IonicContact OD2-NE 3.12Å; D420-R424 PolarHBondContact OD2-NE 3.48Å; D420-R424 IonicContact OD2-NH2 3.92Å; D420-R424 PolarHBondContact OD2-NH2 3.32Å |
| 421 | E | 83.4 | Confident | 85.1 | Confident | 100 Ų | 100 | 58.9 Ų | 58.9 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.5 | -44 | 176 | -72.7 | 174.4 | -167.5 | 0 | 0 | 112.1 | T417 R424 K425 | T417-E421 WeakPolarHBondContact O-CG 3.49Å; T417-E421 PolarHBondContact O-N 3.29Å; E421-R424 PolarHBondContact O-N 2.9Å; E421-K425 WeakPolarHBondContact O-CG 3.42Å; E421-K425 PolarHBondContact O-N 3.18Å |
| 422 | A | 83.4 | Confident | 86.2 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V400 F404 I406 F418 D420 K425 | V400-A422 HydrophobicContact CG1-CB 3.64Å; F404-A422 HydrophobicContact CD1-CB 4.48Å; F404-A422 HydrophobicContact CD2-CB 3.85Å; F404-A422 HydrophobicContact CE2-CB 3.94Å; F404-A422 HydrophobicContact CG-CB 4.1Å; F404-A422 HydrophobicContact CZ-CB 4.29Å; I406-A422 HydrophobicContact CD1-CB 3.85Å; F418-A422 VanDerWaalsContact O-CB 3.32Å; F418-A422 WeakPolarHBondContact O-CB 3.36Å; F418-A422 PolarHBondContact O-N 3.45Å; D420-A422 VanDerWaalsContact C-N 3.32Å; D420-A422 PolarHBondContact O-N 3.36Å; A422-K425 PolarHBondContact O-N 3.23Å |
| 423 | M | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -41 | 177.4 | -82.3 | -67.1 | -65.8 | 0 | 0 | 112.4 | P390 I392 V396 V400 F419 D420 K425 I426 I427 F435 N436 M439 | P390-M423 HydrophobicContact CB-CB 3.73Å; P390-M423 HydrophobicContact CB-CE 4.48Å; P390-M423 HydrophobicContact CB-CG 4.37Å; P390-M423 HydrophobicContact CG-CB 3.84Å; I392-M423 HydrophobicContact CD1-CB 4.19Å; I392-M423 HydrophobicContact CD1-CG 3.96Å; I392-M423 HydrophobicContact CG1-CG 4.01Å; V396-M423 HydrophobicContact CG1-CE 4.19Å; V396-M423 HydrophobicContact CG1-CG 4.17Å; V396-M423 HydrophobicContact CG1-SD 3.77Å; V400-M423 HydrophobicContact CG2-CG 3.87Å; V400-M423 HydrophobicContact CG2-SD 3.51Å; V400-M423 VanDerWaalsContact CG2-SD 3.51Å; F419-M423 VanDerWaalsContact O-CB 3.31Å; F419-M423 WeakPolarHBondContact O-CB 3.36Å; F419-M423 WeakPolarHBondContact O-CG 3.48Å; F419-M423 PolarHBondContact O-N 2.8Å; D420-M423 PolarHBondContact O-N 2.82Å; M423-K425 PolarHBondContact O-N 2.88Å; M423-I426 PolarHBondContact O-N 3.41Å; M423-I426 HydrophobicContact SD-CD1 4.34Å; M423-I427 WeakPolarHBondContact O-CB 3.5Å; M423-I427 PolarHBondContact O-N 2.84Å; M423-F435 HydrophobicContact CE-CD1 4.31Å; M423-F435 HydrophobicContact CE-CE1 3.86Å; M423-F435 HydrophobicContact SD-CE1 4.43Å; M423-N436 WeakPolarHBondContact CE-OD1 3.45Å; M423-M439 HydrophobicContact CE-CG 4.32Å; M423-M439 HydrophobicContact SD-CE 3.86Å |
| 424 | R | 90.5 | Very high | 88.1 | Confident | 104 Ų | 104 | 48 Ų | 48 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61 | -27.7 | 178 | -72.3 | -175 | -168.2 | -74.7 | -11.3 | 112.8 | E389 P390 D420 E421 | E389-R424 IonicContact OE1-CZ 2.66Å; E389-R424 IonicContact OE1-NH1 3.48Å; E389-R424 IonicContact OE1-NH2 2.63Å; E389-R424 PolarHBondContact OE1-NH2 3.11Å; E389-R424 IonicContact OE2-CZ 2.76Å; E389-R424 IonicContact OE2-NH1 2.69Å; E389-R424 PolarHBondContact OE2-NH1 3.28Å; E389-R424 IonicContact OE2-NH2 3.88Å; E389-R424 PolarHBondContact OE2-NH2 3.47Å; P390-R424 HydrophobicContact CG-CG 3.75Å; D420-R424 WeakPolarHBondContact O-CG 3.33Å; D420-R424 PolarHBondContact O-N 3.19Å; D420-R424 IonicContact OD1-CZ 3.12Å; D420-R424 IonicContact OD1-NE 3.75Å; D420-R424 IonicContact OD1-NH2 2.87Å; D420-R424 PolarHBondContact OD1-NH2 2.89Å; D420-R424 IonicContact OD2-CZ 3.82Å; D420-R424 IonicContact OD2-NE 3.12Å; D420-R424 PolarHBondContact OD2-NE 3.48Å; D420-R424 IonicContact OD2-NH2 3.92Å; D420-R424 PolarHBondContact OD2-NH2 3.32Å; E421-R424 PolarHBondContact O-N 2.9Å |
| 425 | K | 83.2 | Confident | 88.8 | Confident | 79 Ų | 79 | 44 Ų | 44 | 34% | 0.343 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -19.4 | 175.8 | -70.8 | -179.8 | 175.6 | -159.5 | 0 | 114.7 | E421 A422 M423 I475 L479 | E421-K425 WeakPolarHBondContact O-CG 3.42Å; E421-K425 PolarHBondContact O-N 3.18Å; A422-K425 PolarHBondContact O-N 3.23Å; M423-K425 PolarHBondContact O-N 2.88Å; K425-I475 HydrophobicContact CD-CG2 3.47Å; K425-I475 VanDerWaalsContact CD-CG2 3.47Å; K425-I475 VanDerWaalsContact NZ-CG2 3.34Å; K425-L479 HydrophobicContact CB-CD1 4.48Å |
| 426 | I | 86.9 | Confident | 89.6 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -14.6 | -174.9 | 59.9 | 167.1 | 0 | 0 | 0 | 114.9 | V259 F262 Q263 L403 F404 M423 S428 F435 L479 | V259-I426 HydrophobicContact CG2-CG2 4.44Å; F262-I426 HydrophobicContact CD1-CB 4.23Å; F262-I426 HydrophobicContact CD1-CG2 4.37Å; F262-I426 HydrophobicContact CE1-CB 3.89Å; F262-I426 HydrophobicContact CE1-CD1 3.92Å; F262-I426 HydrophobicContact CE1-CG1 4.4Å; F262-I426 HydrophobicContact CE1-CG2 4.35Å; F262-I426 HydrophobicContact CZ-CD1 4.37Å; Q263-I426 WeakPolarHBondContact CG-O 3.24Å; Q263-I426 PolarHBondContact NE2-O 2.78Å; L403-I426 HydrophobicContact CD1-CD1 4.38Å; F404-I426 HydrophobicContact CE1-CG2 4.37Å; F404-I426 HydrophobicContact CE2-CD1 3.59Å; F404-I426 HydrophobicContact CE2-CG1 4.25Å; F404-I426 HydrophobicContact CE2-CG2 4.48Å; F404-I426 HydrophobicContact CZ-CB 4.42Å; F404-I426 HydrophobicContact CZ-CD1 3.8Å; F404-I426 HydrophobicContact CZ-CG1 4.08Å; F404-I426 HydrophobicContact CZ-CG2 3.58Å; M423-I426 PolarHBondContact O-N 3.41Å; M423-I426 HydrophobicContact SD-CD1 4.34Å; I426-S428 PolarHBondContact O-N 3.25Å; I426-F435 HydrophobicContact CB-CZ 4.26Å; I426-F435 HydrophobicContact CD1-CE1 4.47Å; I426-F435 HydrophobicContact CD1-CZ 3.97Å; I426-F435 HydrophobicContact CG1-CE1 4.36Å; I426-F435 HydrophobicContact CG1-CZ 3.97Å; I426-F435 WeakPolarHBondContact O-CE2 3.32Å; I426-F435 WeakPolarHBondContact O-CZ 3.44Å; I426-L479 HydrophobicContact CG2-CD2 3.53Å |
| 427 | I | 92.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -57.5 | 133.6 | 178 | -170.3 | 162.3 | 0 | 0 | 0 | 110.1 | Q263 P388 M423 Q429 P432 F435 | Q263-I427 PolarHBondContact NE2-O 3.4Å; P388-I427 HydrophobicContact CB-CG2 4.37Å; M423-I427 WeakPolarHBondContact O-CB 3.5Å; M423-I427 PolarHBondContact O-N 2.84Å; I427-Q429 PolarHBondContact O-N 2.92Å; I427-P432 HydrophobicContact CD1-CB 4.1Å; I427-P432 HydrophobicContact CG1-CB 4.09Å; I427-F435 HydrophobicContact CB-CD1 4.32Å; I427-F435 HydrophobicContact CB-CE1 4.43Å; I427-F435 HydrophobicContact CG1-CD1 4.03Å |
| 428 | S | 94 | Very high | 90.3 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | trans | -68.3 | 121.3 | 178.1 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | I426 K430 Q431 P432 | I426-S428 PolarHBondContact O-N 3.25Å; S428-K430 PolarHBondContact O-N 3.38Å; S428-K430 PolarHBondContact OG-N 3.43Å; S428-Q431 PolarHBondContact OG-N 3.04Å; S428-Q431 VanDerWaalsContact OG-N 3.13Å; S428-P432 VanDerWaalsContact O-CA 3.32Å; S428-P432 WeakPolarHBondContact O-CA 3.24Å; S428-P432 VanDerWaalsContact O-CB 3.3Å; S428-P432 WeakPolarHBondContact O-CB 3.42Å; S428-P432 WeakPolarHBondContact O-CD 3.39Å | ||
| 429 | Q | 91.5 | Very high | 90.8 | Very high | 108 Ų | 108 | 32 Ų | 32 | 51% | 0.505 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -67.6 | -17.6 | 172.2 | -58 | -58.5 | -35.8 | 0 | 0 | 112.3 | P388 I427 | P388-Q429 VanDerWaalsContact CB-OE1 3.32Å; I427-Q429 PolarHBondContact O-N 2.92Å |
| 430 | K | 91.9 | Very high | 90.9 | Very high | 80 Ų | 80 | 32.8 Ų | 32.8 | 35% | 0.348 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -99.5 | -35.8 | -175.1 | -61.1 | 162.7 | -170 | 141.4 | 0 | 112.5 | E221 E260 S428 | E221-K430 WeakPolarHBondContact OE1-CE 3.48Å; E221-K430 IonicContact OE1-NZ 2.86Å; E260-K430 VanDerWaalsContact CD-NZ 3.3Å; E260-K430 IonicContact OE1-NZ 2.76Å; E260-K430 PolarHBondContact OE1-NZ 2.99Å; E260-K430 IonicContact OE2-NZ 2.95Å; E260-K430 PolarHBondContact OE2-NZ 3.26Å; S428-K430 PolarHBondContact O-N 3.38Å; S428-K430 PolarHBondContact OG-N 3.43Å |
| 431 | Q | 95.1 | Very high | 90.6 | Very high | 85 Ų | 85 | 31 Ų | 31 | 40% | 0.397 | 14% | 0.142 | S | C | . | . | trans | -137.3 | 58 | -176 | -67 | 179.6 | 88.1 | 0 | 0 | 110.7 | L267 S428 G433 D434 F435 | L267-Q431 HydrophobicContact CD1-CB 3.9Å; L267-Q431 HydrophobicContact CD2-CB 4.38Å; S428-Q431 PolarHBondContact OG-N 3.04Å; S428-Q431 VanDerWaalsContact OG-N 3.13Å; Q431-G433 VanDerWaalsContact C-N 3.34Å; Q431-G433 PolarHBondContact O-N 3.05Å; Q431-D434 HydrophobicContact CB-CB 4.43Å; Q431-D434 PolarHBondContact O-N 3.24Å; Q431-F435 VanDerWaalsContact O-CB 3.29Å; Q431-F435 WeakPolarHBondContact O-CB 3.4Å; Q431-F435 PolarHBondContact O-N 3.02Å | ||
| 432 | P | 97 | Very high | 90.3 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.8 | -35.1 | -172.6 | 25.7 | -33.4 | 0 | 0 | 0 | 112.8 | E386 P388 I427 S428 F435 N436 | E386-P432 VanDerWaalsContact C-CG 3.45Å; E386-P432 HydrophobicContact CB-CG 4.43Å; E386-P432 WeakPolarHBondContact O-CG 3.24Å; P388-P432 HydrophobicContact CB-CB 4.2Å; I427-P432 HydrophobicContact CD1-CB 4.1Å; I427-P432 HydrophobicContact CG1-CB 4.09Å; S428-P432 VanDerWaalsContact O-CA 3.32Å; S428-P432 WeakPolarHBondContact O-CA 3.24Å; S428-P432 VanDerWaalsContact O-CB 3.3Å; S428-P432 WeakPolarHBondContact O-CB 3.42Å; S428-P432 WeakPolarHBondContact O-CD 3.39Å; P432-F435 PolarHBondContact O-N 3.38Å; P432-N436 WeakPolarHBondContact O-CB 3.32Å; P432-N436 PolarHBondContact O-N 3.39Å |
| 433 | G | 96.4 | Very high | 89.8 | Confident | 5 Ų | 5 | 26.2 Ų | 26.2 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.8 | -51.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S382 Q431 F435 N436 Q437 | S382-G433 VanDerWaalsContact C-CA 3.47Å; S382-G433 WeakPolarHBondContact O-CA 3.42Å; S382-G433 PolarHBondContact O-N 2.99Å; Q431-G433 VanDerWaalsContact C-N 3.34Å; Q431-G433 PolarHBondContact O-N 3.05Å; G433-F435 VanDerWaalsContact C-N 3.3Å; G433-F435 PolarHBondContact O-N 2.87Å; G433-N436 PolarHBondContact O-N 3.14Å; G433-Q437 WeakPolarHBondContact O-CB 2.76Å; G433-Q437 VanDerWaalsContact O-CG 3.28Å; G433-Q437 WeakPolarHBondContact O-CG 3.4Å; G433-Q437 PolarHBondContact O-N 3.06Å; G433-Q437 PolarHBondContact O-NE2 3.49Å |
| 434 | D | 95.3 | Very high | 88.8 | Confident | 38 Ų | 38 | 28.6 Ų | 28.6 | 20% | 0.203 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 176.1 | -84.3 | 9.8 | 0 | 0 | 0 | 111.1 | L267 Y270 Q271 Q431 Q437 A438 | L267-D434 HydrophobicContact CD2-CB 3.91Å; Y270-D434 HydrophobicContact CD1-CB 4.07Å; Y270-D434 HydrophobicContact CE1-CB 4.01Å; Q271-D434 PolarHBondContact NE2-OD2 3.31Å; Q431-D434 HydrophobicContact CB-CB 4.43Å; Q431-D434 PolarHBondContact O-N 3.24Å; D434-Q437 PolarHBondContact O-N 3.44Å; D434-A438 VanDerWaalsContact O-CB 3.23Å; D434-A438 WeakPolarHBondContact O-CB 3.46Å; D434-A438 PolarHBondContact O-N 3.29Å |
| 435 | F | 95.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.5 | -49.3 | 176.1 | -173.3 | -84.6 | 0 | 0 | 0 | 112.3 | F262 Q263 F266 L267 M423 I426 I427 Q431 P432 G433 Q437 A438 M439 | F262-F435 HydrophobicContact CD1-CE2 4.4Å; F262-F435 AromaticContact CE1-CE2 3.55Å; F262-F435 HydrophobicContact CE1-CE2 3.55Å; F262-F435 AromaticContact CE1-CZ 3.62Å; F262-F435 HydrophobicContact CE1-CZ 3.62Å; F262-F435 AromaticContact CZ-CE2 3.98Å; F262-F435 HydrophobicContact CZ-CE2 3.98Å; F262-F435 HydrophobicContact CZ-CZ 4.02Å; Q263-F435 HydrophobicContact CG-CE2 4.29Å; F266-F435 AromaticContact CD1-CD2 3.86Å; F266-F435 HydrophobicContact CD1-CD2 3.86Å; F266-F435 AromaticContact CD1-CE2 3.64Å; F266-F435 HydrophobicContact CD1-CE2 3.64Å; F266-F435 HydrophobicContact CD1-CZ 4.31Å; F266-F435 HydrophobicContact CE1-CD2 4.26Å; F266-F435 HydrophobicContact CE1-CE2 4.09Å; F266-F435 HydrophobicContact CE1-CZ 4.36Å; L267-F435 HydrophobicContact CD2-CB 4.13Å; M423-F435 HydrophobicContact CE-CD1 4.31Å; M423-F435 HydrophobicContact CE-CE1 3.86Å; M423-F435 HydrophobicContact SD-CE1 4.43Å; I426-F435 HydrophobicContact CB-CZ 4.26Å; I426-F435 HydrophobicContact CD1-CE1 4.47Å; I426-F435 HydrophobicContact CD1-CZ 3.97Å; I426-F435 HydrophobicContact CG1-CE1 4.36Å; I426-F435 HydrophobicContact CG1-CZ 3.97Å; I426-F435 WeakPolarHBondContact O-CE2 3.32Å; I426-F435 WeakPolarHBondContact O-CZ 3.44Å; I427-F435 HydrophobicContact CB-CD1 4.32Å; I427-F435 HydrophobicContact CB-CE1 4.43Å; I427-F435 HydrophobicContact CG1-CD1 4.03Å; Q431-F435 VanDerWaalsContact O-CB 3.29Å; Q431-F435 WeakPolarHBondContact O-CB 3.4Å; Q431-F435 PolarHBondContact O-N 3.02Å; P432-F435 PolarHBondContact O-N 3.38Å; G433-F435 VanDerWaalsContact C-N 3.3Å; G433-F435 PolarHBondContact O-N 2.87Å; F435-Q437 VanDerWaalsContact C-N 3.35Å; F435-Q437 PolarHBondContact O-N 2.95Å; F435-A438 WeakPolarHBondContact O-CB 3.48Å; F435-A438 PolarHBondContact O-N 3.23Å; F435-M439 HydrophobicContact CD1-CG 4.08Å; F435-M439 HydrophobicContact CE1-CG 3.67Å; F435-M439 HydrophobicContact CE1-SD 4.27Å; F435-M439 HydrophobicContact CZ-CG 4.22Å; F435-M439 HydrophobicContact CZ-SD 4.29Å; F435-M439 WeakPolarHBondContact O-CG 3.25Å; F435-M439 PolarHBondContact O-N 3.23Å |
| 436 | N | 95.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 177.6 | -85.6 | -30.9 | 0 | 0 | 0 | 111.2 | S382 E389 A391 M423 P432 G433 A438 M439 M440 | S382-N436 VanDerWaalsContact CB-ND2 3.26Å; S382-N436 WeakPolarHBondContact CB-ND2 3.07Å; S382-N436 PolarHBondContact OG-ND2 3.41Å; E389-N436 PolarHBondContact O-ND2 3.37Å; A391-N436 HydrophobicContact CB-CB 4Å; A391-N436 PolarHBondContact N-ND2 2.96Å; A391-N436 PolarHBondContact N-OD1 2.95Å; M423-N436 WeakPolarHBondContact CE-OD1 3.45Å; P432-N436 WeakPolarHBondContact O-CB 3.32Å; P432-N436 PolarHBondContact O-N 3.39Å; G433-N436 PolarHBondContact O-N 3.14Å; N436-A438 VanDerWaalsContact C-N 3.32Å; N436-A438 PolarHBondContact O-N 2.87Å; N436-M439 PolarHBondContact O-N 2.82Å; N436-M440 HydrophobicContact CB-CE 4.36Å; N436-M440 VanDerWaalsContact O-CG 3.32Å; N436-M440 WeakPolarHBondContact O-CG 3.09Å; N436-M440 PolarHBondContact O-N 3.35Å |
| 437 | Q | 92.8 | Very high | 83.8 | Confident | 17 Ų | 17 | 31 Ų | 31 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.9 | -36.2 | 177 | -69.6 | -178.1 | 95 | 0 | 0 | 112.6 | Y270 I383 G433 D434 F435 M440 D441 | Y270-Q437 HydrophobicContact CE1-CB 4.38Å; Y270-Q437 HydrophobicContact CE2-CB 4.34Å; Y270-Q437 VanDerWaalsContact OH-CB 3.25Å; Y270-Q437 WeakPolarHBondContact OH-CB 3.23Å; I383-Q437 HydrophobicContact CD1-CG 3.64Å; I383-Q437 HydrophobicContact CG1-CG 4.01Å; G433-Q437 WeakPolarHBondContact O-CB 2.76Å; G433-Q437 VanDerWaalsContact O-CG 3.28Å; G433-Q437 WeakPolarHBondContact O-CG 3.4Å; G433-Q437 PolarHBondContact O-N 3.06Å; G433-Q437 PolarHBondContact O-NE2 3.49Å; D434-Q437 PolarHBondContact O-N 3.44Å; F435-Q437 VanDerWaalsContact C-N 3.35Å; F435-Q437 PolarHBondContact O-N 2.95Å; Q437-M440 PolarHBondContact O-N 2.88Å; Q437-D441 WeakPolarHBondContact O-CB 3.45Å; Q437-D441 PolarHBondContact O-N 3.37Å |
| 438 | A | 89.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F266 W269 Y270 D434 F435 N436 M440 D441 L442 | F266-A438 HydrophobicContact CD1-CB 4.1Å; F266-A438 HydrophobicContact CE1-CB 3.38Å; F266-A438 HydrophobicContact CE2-CB 4.37Å; F266-A438 HydrophobicContact CZ-CB 3.55Å; W269-A438 HydrophobicContact CZ3-CB 4.28Å; Y270-A438 HydrophobicContact CD1-CB 4.17Å; Y270-A438 VanDerWaalsContact CD2-CA 3.42Å; Y270-A438 HydrophobicContact CD2-CB 3.47Å; Y270-A438 VanDerWaalsContact CD2-CB 3.47Å; Y270-A438 HydrophobicContact CE2-CB 4.12Å; Y270-A438 HydrophobicContact CG-CB 3.49Å; Y270-A438 VanDerWaalsContact CG-CB 3.49Å; D434-A438 VanDerWaalsContact O-CB 3.23Å; D434-A438 WeakPolarHBondContact O-CB 3.46Å; D434-A438 PolarHBondContact O-N 3.29Å; F435-A438 WeakPolarHBondContact O-CB 3.48Å; F435-A438 PolarHBondContact O-N 3.23Å; N436-A438 VanDerWaalsContact C-N 3.32Å; N436-A438 PolarHBondContact O-N 2.87Å; A438-M440 PolarHBondContact O-N 2.94Å; A438-D441 PolarHBondContact O-N 2.85Å; A438-L442 VanDerWaalsContact O-CB 3.27Å; A438-L442 WeakPolarHBondContact O-CB 3.28Å; A438-L442 PolarHBondContact O-N 3.28Å |
| 439 | M | 88.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 175.6 | -69.7 | -65.6 | -72.3 | 0 | 0 | 111.9 | F266 V396 V399 V400 L403 M423 F435 N436 G443 | F266-M439 HydrophobicContact CE1-CG 3.86Å; F266-M439 HydrophobicContact CE1-SD 3.69Å; F266-M439 HydrophobicContact CZ-CG 4.15Å; F266-M439 HydrophobicContact CZ-SD 3.69Å; V396-M439 HydrophobicContact CG1-CB 4.48Å; V396-M439 HydrophobicContact CG1-CE 4.2Å; V396-M439 HydrophobicContact CG2-CB 3.85Å; V399-M439 HydrophobicContact CB-CE 3.9Å; V399-M439 HydrophobicContact CG1-CE 3.48Å; V399-M439 VanDerWaalsContact CG1-CE 3.48Å; V399-M439 HydrophobicContact CG1-SD 3.99Å; V400-M439 HydrophobicContact CG2-CE 3.43Å; V400-M439 VanDerWaalsContact CG2-CE 3.43Å; L403-M439 HydrophobicContact CD1-CE 4.28Å; M423-M439 HydrophobicContact CE-CG 4.32Å; M423-M439 HydrophobicContact SD-CE 3.86Å; F435-M439 HydrophobicContact CD1-CG 4.08Å; F435-M439 HydrophobicContact CE1-CG 3.67Å; F435-M439 HydrophobicContact CE1-SD 4.27Å; F435-M439 HydrophobicContact CZ-CG 4.22Å; F435-M439 HydrophobicContact CZ-SD 4.29Å; F435-M439 WeakPolarHBondContact O-CG 3.25Å; F435-M439 PolarHBondContact O-N 3.23Å; N436-M439 PolarHBondContact O-N 2.82Å; M439-G443 PolarHBondContact O-N 2.97Å |
| 440 | M | 86.8 | Confident | 75.7 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 9% | 0.089 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.3 | -46.7 | 175.9 | -65.3 | 169.5 | -165.1 | 0 | 0 | 111.8 | Y375 A379 A391 V396 N436 Q437 A438 G443 S444 | Y375-M440 HydrophobicContact CE2-CE 3.56Å; Y375-M440 HydrophobicContact CE2-SD 4.49Å; Y375-M440 WeakPolarHBondContact OH-CE 3.47Å; A379-M440 HydrophobicContact CB-CE 4.31Å; A391-M440 HydrophobicContact CB-CE 3.39Å; V396-M440 HydrophobicContact CG2-CG 4.03Å; N436-M440 HydrophobicContact CB-CE 4.36Å; N436-M440 VanDerWaalsContact O-CG 3.32Å; N436-M440 WeakPolarHBondContact O-CG 3.09Å; N436-M440 PolarHBondContact O-N 3.35Å; Q437-M440 PolarHBondContact O-N 2.88Å; A438-M440 PolarHBondContact O-N 2.94Å; M440-G443 PolarHBondContact O-N 3.26Å; M440-S444 WeakPolarHBondContact O-CB 3.44Å; M440-S444 PolarHBondContact O-N 2.91Å; M440-S444 PolarHBondContact O-OG 3.47Å |
| 441 | D | 82.3 | Confident | 73.3 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 179.6 | -81.1 | 9.4 | 0 | 0 | 0 | 110.7 | Y270 R275 R280 Q437 A438 S444 N445 | Y270-D441 HydrophobicContact CE2-CB 4.34Å; R275-D441 IonicContact CZ-OD1 2.73Å; R275-D441 IonicContact NE-OD1 3.08Å; R275-D441 IonicContact NE-OD2 3.69Å; R275-D441 IonicContact NH2-OD1 2.89Å; R275-D441 PolarHBondContact NH2-OD1 3.2Å; R280-D441 IonicContact CZ-OD1 2.62Å; R280-D441 IonicContact CZ-OD2 2.7Å; R280-D441 IonicContact NH1-OD1 2.76Å; R280-D441 IonicContact NH1-OD2 3.17Å; R280-D441 PolarHBondContact NH1-OD2 3.29Å; R280-D441 IonicContact NH2-OD1 3.83Å; R280-D441 PolarHBondContact NH2-OD1 3.3Å; R280-D441 IonicContact NH2-OD2 2.69Å; R280-D441 PolarHBondContact NH2-OD2 3.35Å; Q437-D441 WeakPolarHBondContact O-CB 3.45Å; Q437-D441 PolarHBondContact O-N 3.37Å; A438-D441 PolarHBondContact O-N 2.85Å; D441-S444 PolarHBondContact O-N 3.34Å; D441-S444 PolarHBondContact O-OG 3.45Å; D441-N445 PolarHBondContact O-N 3.09Å; D441-N445 VanDerWaalsContact O-N 3.14Å; D441-N445 PolarHBondContact O-ND2 2.92Å |
| 442 | L | 77 | Confident | 70.4 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.1 | -51.2 | 174.7 | -179.5 | 61.8 | 0 | 0 | 0 | 110.8 | F266 W269 V399 A438 S444 N445 V446 P496 | F266-L442 HydrophobicContact CE2-CD2 3.86Å; F266-L442 HydrophobicContact CZ-CD2 4.27Å; W269-L442 HydrophobicContact CH2-CB 3.9Å; W269-L442 HydrophobicContact CH2-CD1 4.18Å; W269-L442 HydrophobicContact CZ2-CD1 4.4Å; W269-L442 HydrophobicContact CZ3-CB 4.24Å; V399-L442 HydrophobicContact CG1-CD2 3.72Å; V399-L442 HydrophobicContact CG1-CG 4.5Å; V399-L442 HydrophobicContact CG2-CB 4.41Å; V399-L442 HydrophobicContact CG2-CD2 4.17Å; V399-L442 HydrophobicContact CG2-CG 4.07Å; A438-L442 VanDerWaalsContact O-CB 3.27Å; A438-L442 WeakPolarHBondContact O-CB 3.28Å; A438-L442 PolarHBondContact O-N 3.28Å; L442-S444 VanDerWaalsContact C-N 3.31Å; L442-S444 PolarHBondContact O-N 3.46Å; L442-N445 PolarHBondContact O-N 3.4Å; L442-N445 VanDerWaalsContact O-N 3.1Å; L442-V446 WeakPolarHBondContact O-CG2 3.14Å; L442-V446 PolarHBondContact O-N 3.1Å; L442-P496 HydrophobicContact CD1-CB 3.72Å; L442-P496 HydrophobicContact CD1-CG 4.09Å |
| 443 | G | 73.4 | Confident | 67.2 | Low | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -30.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | V399 M439 M440 N445 V446 | V399-G443 VanDerWaalsContact CG2-CA 3.47Å; M439-G443 PolarHBondContact O-N 2.97Å; M440-G443 PolarHBondContact O-N 3.26Å; G443-N445 VanDerWaalsContact C-N 3.29Å; G443-V446 PolarHBondContact O-N 3.27Å |
| 444 | S | 69.3 | Low | 64.2 | Low | 49 Ų | 49 | 55.1 Ų | 55.1 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.7 | -30.1 | 173.8 | 76.8 | 0 | 0 | 0 | 0 | 112.7 | M440 D441 L442 | M440-S444 WeakPolarHBondContact O-CB 3.44Å; M440-S444 PolarHBondContact O-N 2.91Å; M440-S444 PolarHBondContact O-OG 3.47Å; D441-S444 PolarHBondContact O-N 3.34Å; D441-S444 PolarHBondContact O-OG 3.45Å; L442-S444 VanDerWaalsContact C-N 3.31Å; L442-S444 PolarHBondContact O-N 3.46Å |
| 445 | N | 58.4 | Low | 61.4 | Low | 64 Ų | 64 | 61.6 Ų | 61.6 | 34% | 0.342 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -79.4 | -34.4 | 176.2 | -78.9 | -38.5 | 0 | 0 | 0 | 111 | D441 L442 G443 K447 P496 F497 | D441-N445 PolarHBondContact O-N 3.09Å; D441-N445 VanDerWaalsContact O-N 3.14Å; D441-N445 PolarHBondContact O-ND2 2.92Å; L442-N445 PolarHBondContact O-N 3.4Å; L442-N445 VanDerWaalsContact O-N 3.1Å; G443-N445 VanDerWaalsContact C-N 3.29Å; N445-K447 PolarHBondContact O-N 3.32Å; N445-P496 HydrophobicContact CB-CG 4.33Å; N445-F497 VanDerWaalsContact C-CZ 3.49Å; N445-F497 HydrophobicContact CB-CE2 3.89Å; N445-F497 HydrophobicContact CB-CZ 3.64Å; N445-F497 WeakPolarHBondContact O-CE1 3.37Å; N445-F497 WeakPolarHBondContact O-CZ 3.46Å |
| 446 | V | 49.7 | Very low | 58.5 | Low | 20 Ų | 20 | 64.4 Ų | 64.4 | 12% | 0.121 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -66.5 | 100.1 | -179.8 | -168.9 | 0 | 0 | 0 | 0 | 112.7 | L442 G443 | L442-V446 WeakPolarHBondContact O-CG2 3.14Å; L442-V446 PolarHBondContact O-N 3.1Å; G443-V446 PolarHBondContact O-N 3.27Å |
| 447 | K | 46.6 | Very low | 55.7 | Low | 153 Ų | 153 | 69.7 Ų | 69.7 | 67% | 0.665 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 149.5 | -178.2 | -74.4 | 179.1 | -177.7 | 179.5 | 0 | 113.1 | N445 F497 | N445-K447 PolarHBondContact O-N 3.32Å; K447-F497 HydrophobicContact CB-CE1 4.37Å; K447-F497 HydrophobicContact CD-CE1 4.18Å; K447-F497 HydrophobicContact CG-CE1 4Å |
| 448 | V | 40.4 | Very low | 53 | Low | 76 Ų | 76 | 69.8 Ų | 69.8 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 137.2 | 165.5 | -175.3 | 0 | 0 | 0 | 0 | 108 | K454 | V448-K454 HydrophobicContact CG1-CG 4.46Š|
| 449 | F | 35.6 | Very low | 50.3 | Low | 124 Ų | 124 | 74.2 Ų | 74.2 | 54% | 0.544 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 159.2 | -169.5 | -70.8 | -82.6 | 0 | 0 | 0 | 114.3 | D451 I502 | F449-D451 PolarHBondContact O-N 2.75Å; F449-I502 HydrophobicContact CE1-CD1 4.43Å; F449-I502 HydrophobicContact CZ-CD1 3.79Å; F449-I502 HydrophobicContact CZ-CG1 4.35Å |
| 450 | P | 31.9 | Very low | 47.5 | Very low | 131 Ų | 131 | 81.8 Ų | 81.8 | 85% | 0.851 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 12.1 | -162.4 | -7.5 | 27.7 | 0 | 0 | 0 | 117 | G452 | P450-G452 PolarHBondContact O-N 3.44Š|
| 451 | D | 42.4 | Very low | 45.2 | Very low | 112 Ų | 112 | 86.9 Ų | 86.9 | 60% | 0.599 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 0.6 | 174.5 | 54.7 | 6.2 | 0 | 0 | 0 | 113.5 | F449 E453 | F449-D451 PolarHBondContact O-N 2.75Å; D451-E453 PolarHBondContact O-N 3.24Å; D451-E453 WeakPolarHBondContact OD1-CB 3.4Å; D451-E453 PolarHBondContact OD1-N 3.14Å |
| 452 | G | 34.9 | Very low | 43 | Very low | 71 Ų | 71 | 93.3 Ų | 93.3 | 73% | 0.732 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 81.4 | -4.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | P450 K454 | P450-G452 PolarHBondContact O-N 3.44Å; G452-K454 PolarHBondContact O-N 3.05Å |
| 453 | E | 29.1 | Very low | 41.1 | Very low | 85 Ų | 85 | 102.2 Ų | 102.2 | 40% | 0.397 | 52% | 0.523 | S | S | . | . | trans | -81.4 | 105.8 | 171.5 | -68 | -171.1 | 146.6 | 0 | 0 | 110 | D451 R455 | D451-E453 PolarHBondContact O-N 3.24Å; D451-E453 WeakPolarHBondContact OD1-CB 3.4Å; D451-E453 PolarHBondContact OD1-N 3.14Å; E453-R455 HydrophobicContact CB-CG 4.16Å; E453-R455 PolarHBondContact O-N 3.06Å; E453-R455 IonicContact OE1-CZ 3.92Å; E453-R455 IonicContact OE1-NE 2.82Å; E453-R455 IonicContact OE1-NH2 3.58Å; E453-R455 PolarHBondContact OE1-NH2 2.79Å; E453-R455 IonicContact OE2-CZ 3.72Å; E453-R455 IonicContact OE2-NE 3.73Å; E453-R455 PolarHBondContact OE2-NE 3.37Å; E453-R455 IonicContact OE2-NH2 2.74Å; E453-R455 PolarHBondContact OE2-NH2 2.92Å | ||
| 454 | K | 34.1 | Very low | 39.5 | Very low | 191 Ų | 191 | 105.9 Ų | 105.9 | 83% | 0.83 | 55% | 0.553 | S | S | * | * | trans | -73.9 | 69.5 | 161.1 | -67.1 | -178 | -177.8 | 176.1 | 0 | 109.3 | V448 G452 L456 | V448-K454 HydrophobicContact CG1-CG 4.46Å; G452-K454 PolarHBondContact O-N 3.05Å; K454-L456 PolarHBondContact O-N 3.36Å | ||
| 455 | R | 35.7 | Very low | 38.1 | Very low | 174 Ų | 174 | 109.1 Ų | 109.1 | 66% | 0.657 | 56% | 0.562 | S | S | * | * | trans | -76.1 | 94 | 165.1 | -63.7 | -170.4 | -159.8 | -152.3 | 0.8 | 108.9 | E453 | E453-R455 HydrophobicContact CB-CG 4.16Å; E453-R455 PolarHBondContact O-N 3.06Å; E453-R455 IonicContact OE1-CZ 3.92Å; E453-R455 IonicContact OE1-NE 2.82Å; E453-R455 IonicContact OE1-NH2 3.58Å; E453-R455 PolarHBondContact OE1-NH2 2.79Å; E453-R455 IonicContact OE2-CZ 3.72Å; E453-R455 IonicContact OE2-NE 3.73Å; E453-R455 PolarHBondContact OE2-NE 3.37Å; E453-R455 IonicContact OE2-NH2 2.74Å; E453-R455 PolarHBondContact OE2-NH2 2.92Å | ||
| 456 | L | 35.5 | Very low | 36.9 | Very low | 60 Ų | 60 | 110.3 Ų | 110.3 | 31% | 0.314 | 58% | 0.575 | S | S | . | * | trans | -59.8 | 157.6 | 133.1 | -76.4 | 154.1 | 0 | 0 | 0 | 106.6 | I410 K454 D458 | I410-L456 HydrophobicContact CD1-CD1 3.89Å; I410-L456 HydrophobicContact CD1-CD2 3.47Å; I410-L456 VanDerWaalsContact CD1-CD2 3.47Å; I410-L456 HydrophobicContact CD1-CG 4.35Å; I410-L456 HydrophobicContact CG1-CD1 4.17Å; I410-L456 HydrophobicContact CG1-CD2 4.19Å; K454-L456 PolarHBondContact O-N 3.36Å; L456-D458 HydrophobicContact CB-CB 3.57Å; L456-D458 VanDerWaalsContact CB-N 3.35Å; L456-D458 WeakPolarHBondContact CB-O 3.03Å; L456-D458 HydrophobicContact CD1-CB 4.28Å; L456-D458 HydrophobicContact CG-CB 4.33Å; L456-D458 PolarHBondContact O-N 3.32Å | ||
| 457 | L | 35 | Very low | 36.4 | Very low | 111 Ų | 111 | 118 Ų | 118 | 58% | 0.581 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -71.5 | 27.1 | 155.8 | -87 | 167.9 | 0 | 0 | 0 | 110.7 | Y509 | L457-Y509 HydrophobicContact CD1-CD2 3.85Å; L457-Y509 HydrophobicContact CD1-CE2 4.47Å; L457-Y509 HydrophobicContact CD1-CG 4.19Å; L457-Y509 HydrophobicContact CD2-CD1 4.37Å; L457-Y509 HydrophobicContact CD2-CD2 3.31Å; L457-Y509 HydrophobicContact CD2-CE1 4.15Å; L457-Y509 HydrophobicContact CD2-CE2 3.07Å; L457-Y509 HydrophobicContact CD2-CG 3.97Å; L457-Y509 HydrophobicContact CG-CD2 4.25Å; L457-Y509 HydrophobicContact CG-CE2 4.38Å |
| 458 | D | 36.9 | Very low | 36 | Very low | 18 Ų | 18 | 118.7 Ų | 118.7 | 10% | 0.096 | 62% | 0.616 | C | S | . | * | S | Bend | trans | -138.9 | 89.8 | -166.6 | -38.4 | 15.6 | 0 | 0 | 0 | 103.9 | I410 L456 | I410-D458 WeakPolarHBondContact CG2-OD2 3.47Å; L456-D458 HydrophobicContact CB-CB 3.57Å; L456-D458 VanDerWaalsContact CB-N 3.35Å; L456-D458 WeakPolarHBondContact CB-O 3.03Å; L456-D458 HydrophobicContact CD1-CB 4.28Å; L456-D458 HydrophobicContact CG-CB 4.33Å; L456-D458 PolarHBondContact O-N 3.32Å |
| 459 | V | 31.8 | Very low | 35.8 | Very low | 93 Ų | 93 | 119.9 Ų | 119.9 | 56% | 0.564 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 167.3 | -17.1 | 131 | 164.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 460 | D | 31 | Very low | 35.8 | Very low | 159 Ų | 159 | 123.3 Ų | 123.3 | 85% | 0.85 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -116.2 | 15.9 | -173.9 | -72 | -30.6 | 0 | 0 | 0 | 117.8 | ||
| 461 | E | 37.8 | Very low | 36.3 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 58% | 0.584 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -126.7 | 18.6 | 165.1 | -77.7 | -177.3 | 161.5 | 0 | 0 | 113.1 | E463 Y509 | E461-E463 PolarHBondContact O-N 3.1Å; E461-Y509 PolarHBondContact OE2-OH 2.83Å |
| 462 | Y | 36 | Very low | 36.3 | Very low | 141 Ų | 141 | 121.5 Ų | 121.5 | 55% | 0.553 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -18.9 | -171.9 | -179 | -97.6 | 0 | 0 | 0 | 114.8 | ||
| 463 | E | 37.3 | Very low | 36.6 | Very low | 189 Ų | 189 | 126.5 Ų | 126.5 | 88% | 0.883 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -14.6 | -180 | -85.6 | -173.4 | 161.3 | 0 | 0 | 114.6 | E461 | E461-E463 PolarHBondContact O-N 3.1Š|
| 464 | A | 41.1 | Very low | 37.2 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -87.8 | -23.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 465 | H | 39.1 | Very low | 37.4 | Very low | 117 Ų | 117 | 117.8 Ų | 117.8 | 54% | 0.542 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -131.8 | 11.8 | -167 | -67.2 | -81.8 | 0 | 0 | 0 | 115.9 | Q467 | H465-Q467 PolarHBondContact O-N 3.18Š|
| 466 | S | 34.2 | Very low | 37.8 | Very low | 89 Ų | 89 | 111.8 Ų | 111.8 | 62% | 0.622 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 12.2 | -171.9 | 66.9 | 0 | 0 | 0 | 0 | 117.7 | ||
| 467 | Q | 39.1 | Very low | 38.1 | Very low | 183 Ų | 183 | 115.3 Ų | 115.3 | 86% | 0.855 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 3.6 | -175.4 | -71.6 | -166.7 | -7.2 | 0 | 0 | 116 | H465 | H465-Q467 PolarHBondContact O-N 3.18Š|
| 468 | Q | 37.1 | Very low | 38.6 | Very low | 167 Ų | 167 | 111 Ų | 111 | 78% | 0.78 | 55% | 0.551 | S | S | * | * | trans | -133.2 | 115.6 | 177.1 | -69.8 | -177.4 | -6.5 | 0 | 0 | 110.4 | ||||
| 469 | M | 35.9 | Very low | 39.1 | Very low | 101 Ų | 101 | 110.5 Ų | 110.5 | 50% | 0.498 | 55% | 0.549 | S | S | . | . | trans | 143.1 | 103 | 138.8 | -65 | -96.8 | -179.3 | 0 | 0 | 110.6 | Y471 E474 | M469-Y471 HydrophobicContact CB-CD1 4.36Å; M469-Y471 HydrophobicContact CB-CD2 4.12Å; M469-Y471 HydrophobicContact CB-CE1 3.74Å; M469-Y471 HydrophobicContact CB-CE2 3.47Å; M469-Y471 VanDerWaalsContact CB-CE2 3.47Å; M469-Y471 WeakPolarHBondContact CB-OH 3.4Å; M469-Y471 HydrophobicContact CG-CE1 4.16Å; M469-Y471 HydrophobicContact CG-CE2 4.46Å; M469-Y471 WeakPolarHBondContact CG-OH 3.42Å; M469-Y471 HydrophobicContact SD-CE1 4.04Å; M469-E474 HydrophobicContact SD-CG 4.22Å; M469-E474 VanDerWaalsContact SD-OE1 3.32Å | ||
| 470 | H | 36.9 | Very low | 40 | Very low | 195 Ų | 195 | 107.8 Ų | 107.8 | 90% | 0.903 | 53% | 0.529 | S | S | * | . | trans | -90.2 | 99.9 | 165.9 | -71.6 | -72.2 | 0 | 0 | 0 | 107.9 | S472 | H470-S472 PolarHBondContact O-N 3.35Š| ||
| 471 | Y | 42 | Very low | 41 | Very low | 106 Ų | 106 | 104.3 Ų | 104.3 | 42% | 0.416 | 51% | 0.508 | S | S | . | . | trans | -79.9 | 116 | -168.8 | -69 | -73.2 | 0 | 0 | 0 | 114 | M469 E474 | M469-Y471 HydrophobicContact CB-CD1 4.36Å; M469-Y471 HydrophobicContact CB-CD2 4.12Å; M469-Y471 HydrophobicContact CB-CE1 3.74Å; M469-Y471 HydrophobicContact CB-CE2 3.47Å; M469-Y471 VanDerWaalsContact CB-CE2 3.47Å; M469-Y471 WeakPolarHBondContact CB-OH 3.4Å; M469-Y471 HydrophobicContact CG-CE1 4.16Å; M469-Y471 HydrophobicContact CG-CE2 4.46Å; M469-Y471 WeakPolarHBondContact CG-OH 3.42Å; M469-Y471 HydrophobicContact SD-CE1 4.04Å; Y471-E474 HydrophobicContact CD1-CB 3.74Å; Y471-E474 HydrophobicContact CD1-CG 4.03Å; Y471-E474 WeakPolarHBondContact CD1-OE2 3.45Å; Y471-E474 HydrophobicContact CE1-CB 3.75Å; Y471-E474 HydrophobicContact CE1-CG 3.79Å | ||
| 472 | S | 41.8 | Very low | 41.6 | Very low | 99 Ų | 99 | 98.7 Ų | 98.7 | 69% | 0.692 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -143.9 | -2 | 151.5 | 66.8 | 0 | 0 | 0 | 0 | 114 | H470 | H470-S472 PolarHBondContact O-N 3.35Š|
| 473 | K | 41.4 | Very low | 42.6 | Very low | 177 Ų | 177 | 92.5 Ų | 92.5 | 77% | 0.77 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -116.6 | -26.4 | 178.3 | -72.7 | -175.1 | 178.1 | 179.1 | 0 | 115.4 | I475 | K473-I475 PolarHBondContact O-N 2.58Š|
| 474 | E | 41.2 | Very low | 43.7 | Very low | 68 Ų | 68 | 88.6 Ų | 88.6 | 32% | 0.318 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73.2 | -24.9 | -178 | -67.8 | 78.5 | -166.6 | 0 | 0 | 114.3 | M469 Y471 D476 Y477 I478 | M469-E474 HydrophobicContact SD-CG 4.22Å; M469-E474 VanDerWaalsContact SD-OE1 3.32Å; Y471-E474 HydrophobicContact CD1-CB 3.74Å; Y471-E474 HydrophobicContact CD1-CG 4.03Å; Y471-E474 WeakPolarHBondContact CD1-OE2 3.45Å; Y471-E474 HydrophobicContact CE1-CB 3.75Å; Y471-E474 HydrophobicContact CE1-CG 3.79Å; E474-D476 PolarHBondContact O-N 3.08Å; E474-Y477 PolarHBondContact O-N 3.38Å; E474-Y477 VanDerWaalsContact O-N 3.11Å; E474-I478 HydrophobicContact CB-CD1 4.46Å; E474-I478 WeakPolarHBondContact O-CG1 3.43Å; E474-I478 PolarHBondContact O-N 3.25Å |
| 475 | I | 38.7 | Very low | 44.4 | Very low | 24 Ų | 24 | 88 Ų | 88 | 12% | 0.123 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.9 | -33.3 | -178 | -63 | 171.2 | 0 | 0 | 0 | 111.7 | F404 K425 K473 I478 L479 | F404-I475 HydrophobicContact CD1-CG2 4.23Å; F404-I475 HydrophobicContact CE1-CG2 4.2Å; K425-I475 HydrophobicContact CD-CG2 3.47Å; K425-I475 VanDerWaalsContact CD-CG2 3.47Å; K425-I475 VanDerWaalsContact NZ-CG2 3.34Å; K473-I475 PolarHBondContact O-N 2.58Å; I475-I478 PolarHBondContact O-N 3.39Å; I475-L479 HydrophobicContact CG2-CD1 4.17Å; I475-L479 HydrophobicContact CG2-CG 4.32Å; I475-L479 WeakPolarHBondContact O-CB 3.28Å; I475-L479 WeakPolarHBondContact O-CG 3.39Å; I475-L479 PolarHBondContact O-N 3.11Å |
| 476 | D | 43 | Very low | 45.4 | Very low | 48 Ų | 48 | 82.6 Ų | 82.6 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.1 | -32.7 | 179 | -93.1 | 25.2 | 0 | 0 | 0 | 113.5 | E474 K480 | E474-D476 PolarHBondContact O-N 3.08Å; D476-K480 WeakPolarHBondContact O-CD 3.36Å; D476-K480 VanDerWaalsContact O-CG 3.26Å; D476-K480 WeakPolarHBondContact O-CG 3.41Å; D476-K480 PolarHBondContact O-N 3.35Å |
| 477 | Y | 43.8 | Very low | 46.6 | Very low | 134 Ų | 134 | 79.1 Ų | 79.1 | 53% | 0.525 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71 | -40.9 | 175.1 | 177.7 | -103.7 | 0 | 0 | 0 | 110.7 | E474 K480 E481 | E474-Y477 PolarHBondContact O-N 3.38Å; E474-Y477 VanDerWaalsContact O-N 3.11Å; Y477-K480 PolarHBondContact O-N 3.43Å; Y477-K480 VanDerWaalsContact O-N 3.14Å; Y477-E481 HydrophobicContact CE2-CG 4.24Å; Y477-E481 PolarHBondContact O-N 3.08Å |
| 478 | I | 44.6 | Very low | 47.8 | Very low | 22 Ų | 22 | 74.1 Ų | 74.1 | 11% | 0.113 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 178.8 | -66.6 | 170.2 | 0 | 0 | 0 | 110.6 | L403 F404 E474 I475 K480 N482 | L403-I478 VanDerWaalsContact O-CG2 3.29Å; L403-I478 WeakPolarHBondContact O-CG2 3.49Å; F404-I478 HydrophobicContact CB-CG2 4.37Å; F404-I478 HydrophobicContact CD1-CG2 3.95Å; F404-I478 HydrophobicContact CG-CG2 4.47Å; F404-I478 WeakPolarHBondContact O-CD1 3.45Å; E474-I478 HydrophobicContact CB-CD1 4.46Å; E474-I478 WeakPolarHBondContact O-CG1 3.43Å; E474-I478 PolarHBondContact O-N 3.25Å; I475-I478 PolarHBondContact O-N 3.39Å; I478-K480 PolarHBondContact O-N 2.73Å; I478-N482 HydrophobicContact CG2-CB 4.44Å; I478-N482 WeakPolarHBondContact CG2-ND2 3.17Å; I478-N482 VanDerWaalsContact O-CB 3.26Å; I478-N482 WeakPolarHBondContact O-CB 3.41Å; I478-N482 PolarHBondContact O-N 3.19Å |
| 479 | L | 47.7 | Very low | 49.1 | Very low | 7 Ų | 7 | 66.9 Ų | 66.9 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -23.4 | 173.3 | -77 | 175.1 | 0 | 0 | 0 | 113.7 | H258 V259 F404 K425 I426 I475 V483 | H258-L479 VanDerWaalsContact CB-O 3.28Å; H258-L479 WeakPolarHBondContact CB-O 3.46Å; V259-L479 HydrophobicContact CG2-CD1 4.1Å; V259-L479 HydrophobicContact CG2-CD2 4.01Å; F404-L479 HydrophobicContact CE1-CD2 3.55Å; F404-L479 HydrophobicContact CE1-CG 4.03Å; F404-L479 HydrophobicContact CZ-CD2 3.99Å; K425-L479 HydrophobicContact CB-CD1 4.48Å; I426-L479 HydrophobicContact CG2-CD2 3.53Å; I475-L479 HydrophobicContact CG2-CD1 4.17Å; I475-L479 HydrophobicContact CG2-CG 4.32Å; I475-L479 WeakPolarHBondContact O-CB 3.28Å; I475-L479 WeakPolarHBondContact O-CG 3.39Å; I475-L479 PolarHBondContact O-N 3.11Å; L479-V483 HydrophobicContact CD2-CG2 4.2Å; L479-V483 WeakPolarHBondContact O-CB 3.37Å; L479-V483 VanDerWaalsContact O-CG2 3.28Å; L479-V483 WeakPolarHBondContact O-CG2 3.45Å |
| 480 | K | 50.7 | Low | 50.2 | Low | 36 Ų | 36 | 63 Ų | 63 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -83.8 | -47.1 | -179 | -72.5 | 169 | -172.5 | 173.2 | 0 | 112.6 | D251 D254 H258 D476 Y477 I478 K484 | D251-K480 VanDerWaalsContact CB-NZ 3.31Å; D251-K480 WeakPolarHBondContact O-CE 3.42Å; D251-K480 PolarHBondContact O-NZ 3.48Å; D254-K480 HydrophobicContact CB-CD 4.22Å; D254-K480 HydrophobicContact CB-CG 4.47Å; H258-K480 VanDerWaalsContact CD2-CG 3.49Å; H258-K480 WeakPolarHBondContact CD2-CG 3.49Å; H258-K480 PolarHBondContact CE1-O 2.85Å; H258-K480 PolarHBondContact ND1-O 3.11Å; D476-K480 WeakPolarHBondContact O-CD 3.36Å; D476-K480 VanDerWaalsContact O-CG 3.26Å; D476-K480 WeakPolarHBondContact O-CG 3.41Å; D476-K480 PolarHBondContact O-N 3.35Å; Y477-K480 PolarHBondContact O-N 3.43Å; Y477-K480 VanDerWaalsContact O-N 3.14Å; I478-K480 PolarHBondContact O-N 2.73Å; K480-K484 WeakPolarHBondContact O-CB 3.47Å |
| 481 | E | 52.2 | Low | 51.5 | Low | 86 Ų | 86 | 58.2 Ų | 58.2 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -88 | -45.9 | -174.5 | -68.9 | -63.2 | 150.1 | 0 | 0 | 112.1 | Y477 K484 I485 | Y477-E481 HydrophobicContact CE2-CG 4.24Å; Y477-E481 PolarHBondContact O-N 3.08Å; E481-K484 PolarHBondContact O-N 3.46Å; E481-I485 WeakPolarHBondContact O-CG1 3.44Å; E481-I485 PolarHBondContact O-N 3.49Å |
| 482 | N | 50.1 | Low | 52.6 | Low | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.9 | -36.6 | -172.3 | -64.1 | -13.3 | 0 | 0 | 0 | 112.2 | L403 I478 K484 I485 L486 | L403-N482 PolarHBondContact O-ND2 3.32Å; I478-N482 HydrophobicContact CG2-CB 4.44Å; I478-N482 WeakPolarHBondContact CG2-ND2 3.17Å; I478-N482 VanDerWaalsContact O-CB 3.26Å; I478-N482 WeakPolarHBondContact O-CB 3.41Å; I478-N482 PolarHBondContact O-N 3.19Å; N482-K484 VanDerWaalsContact C-N 3.34Å; N482-I485 PolarHBondContact O-N 3.35Å; N482-L486 WeakPolarHBondContact O-CB 3.49Å; N482-L486 PolarHBondContact O-N 3.36Å |
| 483 | V | 57.6 | Low | 53.2 | Low | 10 Ų | 10 | 62.1 Ų | 62.1 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 171.2 | 155.3 | 0 | 0 | 0 | 0 | 111 | H258 F262 L479 I485 L486 V487 | H258-V483 HydrophobicContact CB-CB 4.43Å; H258-V483 HydrophobicContact CB-CG1 3.91Å; H258-V483 WeakPolarHBondContact O-CG1 3.26Å; F262-V483 HydrophobicContact CB-CB 4.22Å; F262-V483 HydrophobicContact CB-CG1 3.45Å; F262-V483 VanDerWaalsContact CB-CG1 3.45Å; F262-V483 HydrophobicContact CB-CG2 3.95Å; F262-V483 HydrophobicContact CG-CG1 4.46Å; F262-V483 HydrophobicContact CG-CG2 4.22Å; L479-V483 HydrophobicContact CD2-CG2 4.2Å; L479-V483 WeakPolarHBondContact O-CB 3.37Å; L479-V483 VanDerWaalsContact O-CG2 3.28Å; L479-V483 WeakPolarHBondContact O-CG2 3.45Å; V483-I485 VanDerWaalsContact C-N 3.31Å; V483-I485 PolarHBondContact O-N 3.49Å; V483-L486 PolarHBondContact O-N 3.29Å; V483-L486 VanDerWaalsContact O-N 3.16Å; V483-V487 HydrophobicContact CG1-CG2 4.17Å; V483-V487 WeakPolarHBondContact O-CB 3.31Å; V483-V487 VanDerWaalsContact O-CG2 3.23Å; V483-V487 WeakPolarHBondContact O-CG2 3.47Å; V483-V487 PolarHBondContact O-N 2.99Å |
| 484 | K | 59.5 | Low | 53.8 | Low | 107 Ų | 107 | 59.4 Ų | 59.4 | 47% | 0.465 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 179.3 | -177.1 | -171.4 | 170 | -162 | 0 | 110.8 | K480 E481 N482 L486 V487 D488 | K480-K484 WeakPolarHBondContact O-CB 3.47Å; E481-K484 PolarHBondContact O-N 3.46Å; N482-K484 VanDerWaalsContact C-N 3.34Å; K484-L486 VanDerWaalsContact C-N 3.32Å; K484-L486 PolarHBondContact O-N 2.92Å; K484-V487 PolarHBondContact O-N 3.17Å; K484-D488 WeakPolarHBondContact O-CB 3.45Å; K484-D488 PolarHBondContact O-N 3.31Å |
| 485 | I | 56.3 | Low | 54.1 | Low | 64 Ų | 64 | 57.9 Ų | 57.9 | 33% | 0.328 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 175.8 | -67.9 | 166.9 | 0 | 0 | 0 | 111 | E481 N482 V483 D488 W489 I504 | E481-I485 WeakPolarHBondContact O-CG1 3.44Å; E481-I485 PolarHBondContact O-N 3.49Å; N482-I485 PolarHBondContact O-N 3.35Å; V483-I485 VanDerWaalsContact C-N 3.31Å; V483-I485 PolarHBondContact O-N 3.49Å; I485-D488 PolarHBondContact O-N 3.04Å; I485-W489 VanDerWaalsContact O-CB 3.24Å; I485-W489 WeakPolarHBondContact O-CB 3.29Å; I485-W489 PolarHBondContact O-N 3.05Å; I485-I504 HydrophobicContact CG2-CD1 4.2Å; I485-I504 HydrophobicContact CG2-CG2 3.51Å |
| 486 | L | 58.7 | Low | 54.4 | Low | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.7 | -39 | 178.2 | -158.2 | 92.4 | 0 | 0 | 0 | 112.3 | F262 L403 N482 V483 K484 W489 I490 Y501 | F262-L486 HydrophobicContact CD2-CD2 3.53Å; F262-L486 HydrophobicContact CE2-CD2 3.17Å; F262-L486 HydrophobicContact CZ-CD2 4.33Å; L403-L486 HydrophobicContact CD2-CD1 3.8Å; L403-L486 HydrophobicContact CD2-CD2 4.1Å; L403-L486 HydrophobicContact CD2-CG 4.42Å; N482-L486 WeakPolarHBondContact O-CB 3.49Å; N482-L486 PolarHBondContact O-N 3.36Å; V483-L486 PolarHBondContact O-N 3.29Å; V483-L486 VanDerWaalsContact O-N 3.16Å; K484-L486 VanDerWaalsContact C-N 3.32Å; K484-L486 PolarHBondContact O-N 2.92Å; L486-W489 HydrophobicContact CD1-CE3 4.05Å; L486-W489 HydrophobicContact CG-CE3 4.01Å; L486-W489 WeakPolarHBondContact O-CB 3.34Å; L486-W489 PolarHBondContact O-N 3.48Å; L486-I490 HydrophobicContact CD2-CD1 4.14Å; L486-I490 HydrophobicContact CG-CD1 4.39Å; L486-I490 VanDerWaalsContact O-CG1 3.3Å; L486-I490 WeakPolarHBondContact O-CG1 3.44Å; L486-I490 PolarHBondContact O-N 2.85Å; L486-Y501 HydrophobicContact CD1-CE2 4.21Å |
| 487 | V | 60.7 | Low | 54.6 | Low | 16 Ų | 16 | 59.9 Ų | 59.9 | 10% | 0.097 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 175.1 | 168.5 | 0 | 0 | 0 | 0 | 110.4 | Q261 F262 A265 V483 K484 W489 I490 N491 | Q261-V487 HydrophobicContact CB-CG2 4.47Å; F262-V487 HydrophobicContact CB-CG2 4.43Å; A265-V487 HydrophobicContact CB-CB 4.48Å; A265-V487 HydrophobicContact CB-CG1 4.25Å; A265-V487 HydrophobicContact CB-CG2 4.06Å; V483-V487 HydrophobicContact CG1-CG2 4.17Å; V483-V487 WeakPolarHBondContact O-CB 3.31Å; V483-V487 VanDerWaalsContact O-CG2 3.23Å; V483-V487 WeakPolarHBondContact O-CG2 3.47Å; V483-V487 PolarHBondContact O-N 2.99Å; K484-V487 PolarHBondContact O-N 3.17Å; V487-W489 PolarHBondContact O-N 3.28Å; V487-I490 PolarHBondContact O-N 3.49Å; V487-N491 WeakPolarHBondContact CG1-ND2 3.44Å; V487-N491 WeakPolarHBondContact O-CB 3.48Å; V487-N491 PolarHBondContact O-N 3.43Å; V487-N491 PolarHBondContact O-ND2 3.43Å; V487-N491 VanDerWaalsContact O-ND2 3.14Å |
| 488 | D | 63.8 | Low | 55.1 | Low | 78 Ų | 78 | 54.8 Ų | 54.8 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 175.1 | -71.8 | -20 | 0 | 0 | 0 | 110.6 | K484 I485 N492 | K484-D488 WeakPolarHBondContact O-CB 3.45Å; K484-D488 PolarHBondContact O-N 3.31Å; I485-D488 PolarHBondContact O-N 3.04Å; D488-N492 WeakPolarHBondContact O-CB 3.45Å; D488-N492 PolarHBondContact O-N 2.89Å; D488-N492 PolarHBondContact O-ND2 3.32Å |
| 489 | W | 64.2 | Low | 55.7 | Low | 16 Ų | 16 | 59.6 Ų | 59.6 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.7 | -47.4 | 176.3 | 168.4 | 78.1 | 0 | 0 | 0 | 112.9 | I485 L486 V487 N491 N492 K494 G495 P496 Y501 | I485-W489 VanDerWaalsContact O-CB 3.24Å; I485-W489 WeakPolarHBondContact O-CB 3.29Å; I485-W489 PolarHBondContact O-N 3.05Å; L486-W489 HydrophobicContact CD1-CE3 4.05Å; L486-W489 HydrophobicContact CG-CE3 4.01Å; L486-W489 WeakPolarHBondContact O-CB 3.34Å; L486-W489 PolarHBondContact O-N 3.48Å; V487-W489 PolarHBondContact O-N 3.28Å; W489-N491 PolarHBondContact O-N 3.19Å; W489-N492 PolarHBondContact O-N 3.17Å; W489-K494 WeakPolarHBondContact CZ2-O 3.23Å; W489-K494 PolarHBondContact NE1-O 3.08Å; W489-G495 VanDerWaalsContact CZ2-C 3.49Å; W489-P496 HydrophobicContact CH2-CB 4.27Å; W489-P496 HydrophobicContact CZ2-CB 4.04Å; W489-Y501 AromaticContact CD1-CD2 3.73Å; W489-Y501 AromaticContact CD2-CD2 3.81Å; W489-Y501 HydrophobicContact CD2-CD2 3.81Å; W489-Y501 HydrophobicContact CD2-CE2 4.17Å; W489-Y501 AromaticContact CE2-CD2 3.51Å; W489-Y501 HydrophobicContact CE3-CE2 4.47Å; W489-Y501 AromaticContact CG-CD2 3.98Å; W489-Y501 HydrophobicContact CG-CD2 3.98Å; W489-Y501 HydrophobicContact CZ2-CD2 4.13Å; W489-Y501 HydrophobicContact CZ2-CE2 4.41Å; W489-Y501 AromaticContact NE1-CD2 3.38Å; W489-Y501 AromaticContact NE1-CG 3.79Å |
| 490 | I | 59.4 | Low | 56.3 | Low | 18 Ų | 18 | 60.5 Ų | 60.5 | 9% | 0.092 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58 | -49.5 | 176.1 | -72.5 | 163.1 | 0 | 0 | 0 | 110.3 | A265 F266 W269 L486 V487 N492 E493 | A265-I490 HydrophobicContact CB-CB 4.4Å; A265-I490 HydrophobicContact CB-CD1 3.98Å; A265-I490 HydrophobicContact CB-CG2 4.13Å; A265-I490 WeakPolarHBondContact O-CG2 3.07Å; F266-I490 HydrophobicContact CB-CD1 4.18Å; F266-I490 HydrophobicContact CD2-CD1 4.29Å; W269-I490 HydrophobicContact CB-CG1 4.44Å; W269-I490 HydrophobicContact CB-CG2 3.79Å; L486-I490 HydrophobicContact CD2-CD1 4.14Å; L486-I490 HydrophobicContact CG-CD1 4.39Å; L486-I490 VanDerWaalsContact O-CG1 3.3Å; L486-I490 WeakPolarHBondContact O-CG1 3.44Å; L486-I490 PolarHBondContact O-N 2.85Å; V487-I490 PolarHBondContact O-N 3.49Å; I490-N492 PolarHBondContact O-N 2.9Å; I490-N492 VanDerWaalsContact O-N 3.15Å; I490-E493 PolarHBondContact O-N 3.26Å |
| 491 | N | 63.7 | Low | 56.4 | Low | 96 Ų | 96 | 59.3 Ų | 59.3 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.2 | -16.5 | -175.5 | -69.9 | -25.4 | 0 | 0 | 0 | 113.8 | V487 W489 | V487-N491 WeakPolarHBondContact CG1-ND2 3.44Å; V487-N491 WeakPolarHBondContact O-CB 3.48Å; V487-N491 PolarHBondContact O-N 3.43Å; V487-N491 PolarHBondContact O-ND2 3.43Å; V487-N491 VanDerWaalsContact O-ND2 3.14Å; W489-N491 PolarHBondContact O-N 3.19Å |
| 492 | N | 65.7 | Low | 56.5 | Low | 112 Ų | 112 | 57.4 Ų | 57.4 | 60% | 0.599 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 14.7 | -179.5 | -73.3 | -56 | 0 | 0 | 0 | 113.3 | D488 W489 I490 K494 | D488-N492 WeakPolarHBondContact O-CB 3.45Å; D488-N492 PolarHBondContact O-N 2.89Å; D488-N492 PolarHBondContact O-ND2 3.32Å; W489-N492 PolarHBondContact O-N 3.17Å; I490-N492 PolarHBondContact O-N 2.9Å; I490-N492 VanDerWaalsContact O-N 3.15Å; N492-K494 PolarHBondContact O-N 3.11Å |
| 493 | E | 54.7 | Low | 57.1 | Low | 175 Ų | 175 | 60.2 Ų | 60.2 | 82% | 0.818 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 25.4 | 172.8 | -63.3 | -176.6 | 177.3 | 0 | 0 | 115.5 | I490 G495 | I490-E493 PolarHBondContact O-N 3.26Å; E493-G495 PolarHBondContact O-N 3.09Å |
| 494 | K | 53.6 | Low | 57.2 | Low | 120 Ų | 120 | 62.9 Ų | 62.9 | 52% | 0.522 | 33% | 0.325 | S | S | . | . | trans | -89.6 | 105.7 | 174.9 | -68.5 | -167.1 | -178.9 | 178.9 | 0 | 107.6 | W489 N492 S498 | W489-K494 WeakPolarHBondContact CZ2-O 3.23Å; W489-K494 PolarHBondContact NE1-O 3.08Å; N492-K494 PolarHBondContact O-N 3.11Å; K494-S498 WeakPolarHBondContact CB-OG 3.39Å | ||
| 495 | G | 46.9 | Very low | 57.1 | Low | 36 Ų | 36 | 59.6 Ų | 59.6 | 37% | 0.371 | 31% | 0.31 | S | S | . | . | trans | -55.9 | 169 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | W489 E493 F497 S498 | W489-G495 VanDerWaalsContact CZ2-C 3.49Å; E493-G495 PolarHBondContact O-N 3.09Å; G495-F497 PolarHBondContact O-N 3.23Å; G495-S498 WeakPolarHBondContact O-CB 3.02Å; G495-S498 PolarHBondContact O-N 3.29Å; G495-S498 PolarHBondContact O-OG 3.08Å | ||
| 496 | P | 45.6 | Very low | 57 | Low | 13 Ų | 13 | 62.5 Ų | 62.5 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 0.4 | -170.7 | 24.2 | -33.5 | 0 | 0 | 0 | 113.9 | L442 N445 W489 Y501 | L442-P496 HydrophobicContact CD1-CB 3.72Å; L442-P496 HydrophobicContact CD1-CG 4.09Å; N445-P496 HydrophobicContact CB-CG 4.33Å; W489-P496 HydrophobicContact CH2-CB 4.27Å; W489-P496 HydrophobicContact CZ2-CB 4.04Å; P496-Y501 WeakPolarHBondContact O-CD1 3.44Å |
| 497 | F | 46.6 | Very low | 57 | Low | 100 Ų | 100 | 66.4 Ų | 66.4 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -1.4 | 176.7 | -54.7 | -76.2 | 0 | 0 | 0 | 113.3 | N445 K447 G495 Q499 | N445-F497 VanDerWaalsContact C-CZ 3.49Å; N445-F497 HydrophobicContact CB-CE2 3.89Å; N445-F497 HydrophobicContact CB-CZ 3.64Å; N445-F497 WeakPolarHBondContact O-CE1 3.37Å; N445-F497 WeakPolarHBondContact O-CZ 3.46Å; K447-F497 HydrophobicContact CB-CE1 4.37Å; K447-F497 HydrophobicContact CD-CE1 4.18Å; K447-F497 HydrophobicContact CG-CE1 4Å; G495-F497 PolarHBondContact O-N 3.23Å; F497-Q499 PolarHBondContact O-N 2.91Å |
| 498 | S | 54.8 | Low | 56.7 | Low | 27 Ų | 27 | 68.3 Ų | 68.3 | 19% | 0.189 | 34% | 0.344 | C | S | . | . | trans | -61.7 | 138.7 | 177.4 | 63.6 | 0 | 0 | 0 | 0 | 109.2 | K494 G495 G500 Y501 I502 | K494-S498 WeakPolarHBondContact CB-OG 3.39Å; G495-S498 WeakPolarHBondContact O-CB 3.02Å; G495-S498 PolarHBondContact O-N 3.29Å; G495-S498 PolarHBondContact O-OG 3.08Å; S498-G500 PolarHBondContact O-N 3.42Å; S498-G500 VanDerWaalsContact O-N 3.16Å; S498-Y501 WeakPolarHBondContact O-CB 3.31Å; S498-Y501 PolarHBondContact O-N 2.87Å; S498-Y501 WeakPolarHBondContact OG-CB 3.35Å; S498-Y501 PolarHBondContact OG-N 3.33Å; S498-I502 PolarHBondContact O-N 3.46Å | ||
| 499 | Q | 56.5 | Low | 56 | Low | 123 Ų | 123 | 67.4 Ų | 67.4 | 58% | 0.575 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -53.3 | -39.1 | 177.3 | -170.2 | 59.1 | 44.5 | 0 | 0 | 110.8 | F497 Y501 I502 D503 | F497-Q499 PolarHBondContact O-N 2.91Å; Q499-Y501 VanDerWaalsContact C-N 3.33Å; Q499-Y501 PolarHBondContact O-N 3.33Å; Q499-I502 PolarHBondContact O-N 2.83Å; Q499-I502 VanDerWaalsContact O-N 3.16Å; Q499-D503 PolarHBondContact NE2-OD1 2.73Å; Q499-D503 WeakPolarHBondContact O-CB 3.34Å; Q499-D503 PolarHBondContact O-N 3Å |
| 500 | G | 60.7 | Low | 55.4 | Low | 26 Ų | 26 | 70.3 Ų | 70.3 | 27% | 0.268 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.8 | -35.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S498 I504 | S498-G500 PolarHBondContact O-N 3.42Å; S498-G500 VanDerWaalsContact O-N 3.16Å; G500-I504 WeakPolarHBondContact O-CB 3.45Å; G500-I504 VanDerWaalsContact O-CD1 3.32Å; G500-I504 WeakPolarHBondContact O-CD1 3.43Å; G500-I504 WeakPolarHBondContact O-CG1 3.44Å; G500-I504 PolarHBondContact O-N 3.15Å; G500-I504 VanDerWaalsContact O-N 3.08Å |
| 501 | Y | 53.9 | Low | 55.2 | Low | 11 Ų | 11 | 74.7 Ų | 74.7 | 4% | 0.043 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 174.4 | 179.9 | -99.8 | 0 | 0 | 0 | 111.6 | L486 W489 P496 S498 Q499 W505 | L486-Y501 HydrophobicContact CD1-CE2 4.21Å; W489-Y501 AromaticContact CD1-CD2 3.73Å; W489-Y501 AromaticContact CD2-CD2 3.81Å; W489-Y501 HydrophobicContact CD2-CD2 3.81Å; W489-Y501 HydrophobicContact CD2-CE2 4.17Å; W489-Y501 AromaticContact CE2-CD2 3.51Å; W489-Y501 HydrophobicContact CE3-CE2 4.47Å; W489-Y501 AromaticContact CG-CD2 3.98Å; W489-Y501 HydrophobicContact CG-CD2 3.98Å; W489-Y501 HydrophobicContact CZ2-CD2 4.13Å; W489-Y501 HydrophobicContact CZ2-CE2 4.41Å; W489-Y501 AromaticContact NE1-CD2 3.38Å; W489-Y501 AromaticContact NE1-CG 3.79Å; P496-Y501 WeakPolarHBondContact O-CD1 3.44Å; S498-Y501 WeakPolarHBondContact O-CB 3.31Å; S498-Y501 PolarHBondContact O-N 2.87Å; S498-Y501 WeakPolarHBondContact OG-CB 3.35Å; S498-Y501 PolarHBondContact OG-N 3.33Å; Q499-Y501 VanDerWaalsContact C-N 3.33Å; Q499-Y501 PolarHBondContact O-N 3.33Å; Y501-W505 AromaticContact CD2-NE1 3.92Å; Y501-W505 AromaticContact CE1-CD1 3.63Å; Y501-W505 AromaticContact CE1-NE1 3.8Å; Y501-W505 AromaticContact CE2-CD1 3.74Å; Y501-W505 AromaticContact CE2-NE1 3.22Å; Y501-W505 AromaticContact CZ-CD1 3.49Å; Y501-W505 VanDerWaalsContact CZ-CD1 3.49Å; Y501-W505 AromaticContact CZ-NE1 3.14Å; Y501-W505 VanDerWaalsContact O-CD1 3.25Å; Y501-W505 PolarHBondContact O-N 3.34Å; Y501-W505 PolarHBondContact OH-NE1 3.26Å |
| 502 | I | 54.4 | Low | 54.3 | Low | 46 Ų | 46 | 73.1 Ų | 73.1 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 178.5 | -64.3 | 158.7 | 0 | 0 | 0 | 110 | F449 S498 Q499 I504 W505 Y506 | F449-I502 HydrophobicContact CE1-CD1 4.43Å; F449-I502 HydrophobicContact CZ-CD1 3.79Å; F449-I502 HydrophobicContact CZ-CG1 4.35Å; S498-I502 PolarHBondContact O-N 3.46Å; Q499-I502 PolarHBondContact O-N 2.83Å; Q499-I502 VanDerWaalsContact O-N 3.16Å; I502-I504 PolarHBondContact O-N 3.07Å; I502-W505 PolarHBondContact O-N 3.38Å; I502-Y506 VanDerWaalsContact O-CB 3.27Å; I502-Y506 WeakPolarHBondContact O-CB 3.48Å; I502-Y506 PolarHBondContact O-N 3.17Å |
| 503 | D | 61 | Low | 53.1 | Low | 66 Ų | 66 | 70.3 Ų | 70.3 | 35% | 0.353 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | -179.3 | -64.7 | -20.2 | 0 | 0 | 0 | 111.8 | Q499 W505 Y506 D507 | Q499-D503 PolarHBondContact NE2-OD1 2.73Å; Q499-D503 WeakPolarHBondContact O-CB 3.34Å; Q499-D503 PolarHBondContact O-N 3Å; D503-W505 VanDerWaalsContact C-N 3.34Å; D503-W505 PolarHBondContact O-N 2.96Å; D503-Y506 PolarHBondContact O-N 3.28Å; D503-D507 WeakPolarHBondContact O-CB 3.5Å; D503-D507 PolarHBondContact O-N 3.21Å |
| 504 | I | 61.1 | Low | 52.8 | Low | 66 Ų | 66 | 71.8 Ų | 71.8 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.6 | -49.6 | 176.1 | -76.4 | 165.1 | 0 | 0 | 0 | 111 | I485 G500 I502 R508 | I485-I504 HydrophobicContact CG2-CD1 4.2Å; I485-I504 HydrophobicContact CG2-CG2 3.51Å; G500-I504 WeakPolarHBondContact O-CB 3.45Å; G500-I504 VanDerWaalsContact O-CD1 3.32Å; G500-I504 WeakPolarHBondContact O-CD1 3.43Å; G500-I504 WeakPolarHBondContact O-CG1 3.44Å; G500-I504 PolarHBondContact O-N 3.15Å; G500-I504 VanDerWaalsContact O-N 3.08Å; I502-I504 PolarHBondContact O-N 3.07Å; I504-R508 WeakPolarHBondContact O-CB 3.26Å; I504-R508 PolarHBondContact O-N 2.71Å; I504-R508 VanDerWaalsContact O-N 3.15Å |
| 505 | W | 56 | Low | 52.2 | Low | 39 Ų | 39 | 76.3 Ų | 76.3 | 15% | 0.148 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.9 | -36.9 | -179.5 | -76.5 | 113 | 0 | 0 | 0 | 112.2 | R402 L403 Y501 I502 D503 R508 Y509 | R402-W505 VanDerWaalsContact C-CH2 3.49Å; R402-W505 VanDerWaalsContact C-CZ3 3.49Å; R402-W505 HydrophobicContact CB-CD2 4.35Å; R402-W505 HydrophobicContact CB-CE3 4.26Å; R402-W505 HydrophobicContact CB-CH2 4.48Å; R402-W505 HydrophobicContact CB-CZ2 4.5Å; R402-W505 HydrophobicContact CB-CZ3 4.35Å; R402-W505 WeakPolarHBondContact O-CH2 3.35Å; R402-W505 WeakPolarHBondContact O-CZ3 3.38Å; L403-W505 HydrophobicContact CD2-CH2 4.41Å; L403-W505 HydrophobicContact CD2-CZ2 4.1Å; Y501-W505 AromaticContact CD2-NE1 3.92Å; Y501-W505 AromaticContact CE1-CD1 3.63Å; Y501-W505 AromaticContact CE1-NE1 3.8Å; Y501-W505 AromaticContact CE2-CD1 3.74Å; Y501-W505 AromaticContact CE2-NE1 3.22Å; Y501-W505 AromaticContact CZ-CD1 3.49Å; Y501-W505 VanDerWaalsContact CZ-CD1 3.49Å; Y501-W505 AromaticContact CZ-NE1 3.14Å; Y501-W505 VanDerWaalsContact O-CD1 3.25Å; Y501-W505 PolarHBondContact O-N 3.34Å; Y501-W505 PolarHBondContact OH-NE1 3.26Å; I502-W505 PolarHBondContact O-N 3.38Å; D503-W505 VanDerWaalsContact C-N 3.34Å; D503-W505 PolarHBondContact O-N 2.96Å; W505-R508 PolarHBondContact O-N 3.43Å; W505-Y509 PolarHBondContact O-N 3.06Å |
| 506 | Y | 54.6 | Low | 52.5 | Low | 124 Ų | 124 | 78.3 Ų | 78.3 | 49% | 0.486 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -72 | -41.5 | -178.9 | -168.6 | -116.6 | 0 | 0 | 0 | 112.9 | I502 D503 R508 Y509 K510 | I502-Y506 VanDerWaalsContact O-CB 3.27Å; I502-Y506 WeakPolarHBondContact O-CB 3.48Å; I502-Y506 PolarHBondContact O-N 3.17Å; D503-Y506 PolarHBondContact O-N 3.28Å; Y506-R508 VanDerWaalsContact C-N 3.27Å; Y506-R508 PolarHBondContact O-N 3.42Å; Y506-Y509 HydrophobicContact CD2-CD1 4.32Å; Y506-Y509 HydrophobicContact CE2-CD1 4.27Å; Y506-Y509 PolarHBondContact O-N 2.73Å; Y506-K510 HydrophobicContact CD1-CD 4.39Å; Y506-K510 HydrophobicContact CE1-CD 4.23Å; Y506-K510 WeakPolarHBondContact O-CG 3.5Å; Y506-K510 PolarHBondContact O-N 2.93Å |
| 507 | D | 59.7 | Low | 52.8 | Low | 87 Ų | 87 | 81.7 Ų | 81.7 | 47% | 0.465 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.5 | -35.8 | 173.2 | -80.5 | -15 | 0 | 0 | 0 | 111.3 | D503 K510 Q511 | D503-D507 WeakPolarHBondContact O-CB 3.5Å; D503-D507 PolarHBondContact O-N 3.21Å; D507-K510 PolarHBondContact O-N 2.95Å; D507-Q511 WeakPolarHBondContact O-CG 3.2Å; D507-Q511 PolarHBondContact O-N 2.67Å |
| 508 | R | 54.4 | Low | 53.2 | Low | 56 Ų | 56 | 80.7 Ų | 80.7 | 21% | 0.211 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.5 | -45.5 | 175.2 | -174.6 | 56 | 174 | 179.2 | -1.4 | 112.2 | I504 W505 Y506 K510 Q511 L512 | I504-R508 WeakPolarHBondContact O-CB 3.26Å; I504-R508 PolarHBondContact O-N 2.71Å; I504-R508 VanDerWaalsContact O-N 3.15Å; W505-R508 PolarHBondContact O-N 3.43Å; Y506-R508 VanDerWaalsContact C-N 3.27Å; Y506-R508 PolarHBondContact O-N 3.42Å; R508-K510 PolarHBondContact O-N 2.86Å; R508-K510 VanDerWaalsContact C-N 3.28Å; R508-Q511 WeakPolarHBondContact O-CB 3.36Å; R508-Q511 PolarHBondContact O-N 3.49Å; R508-L512 HydrophobicContact CG-CD1 4.23Å; R508-L512 PolarHBondContact O-N 2.92Å |
| 509 | Y | 49.4 | Very low | 53.1 | Low | 59 Ų | 59 | 83.9 Ų | 83.9 | 23% | 0.231 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -53.6 | -47.7 | 172.2 | 164.2 | -112.9 | 0 | 0 | 0 | 110.7 | L457 E461 W505 Y506 Q511 L512 S513 | L457-Y509 HydrophobicContact CD1-CD2 3.85Å; L457-Y509 HydrophobicContact CD1-CE2 4.47Å; L457-Y509 HydrophobicContact CD1-CG 4.19Å; L457-Y509 HydrophobicContact CD2-CD1 4.37Å; L457-Y509 HydrophobicContact CD2-CD2 3.31Å; L457-Y509 HydrophobicContact CD2-CE1 4.15Å; L457-Y509 HydrophobicContact CD2-CE2 3.07Å; L457-Y509 HydrophobicContact CD2-CG 3.97Å; L457-Y509 HydrophobicContact CG-CD2 4.25Å; L457-Y509 HydrophobicContact CG-CE2 4.38Å; E461-Y509 PolarHBondContact OE2-OH 2.83Å; W505-Y509 PolarHBondContact O-N 3.06Å; Y506-Y509 HydrophobicContact CD2-CD1 4.32Å; Y506-Y509 HydrophobicContact CE2-CD1 4.27Å; Y506-Y509 PolarHBondContact O-N 2.73Å; Y509-Q511 VanDerWaalsContact C-N 3.27Å; Y509-Q511 PolarHBondContact O-N 2.99Å; Y509-L512 PolarHBondContact O-N 2.89Å; Y509-L512 VanDerWaalsContact O-N 3.14Å; Y509-S513 WeakPolarHBondContact O-CB 3.14Å; Y509-S513 VanDerWaalsContact O-OG 3.05Å; Y509-S513 PolarHBondContact O-OG 3.48Å; Y509-S513 PolarHBondContact O-N 2.66Å |
| 510 | K | 51.8 | Low | 52.9 | Low | 77 Ų | 77 | 81.4 Ų | 81.4 | 34% | 0.335 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.3 | -31.1 | 175.7 | -75.3 | 176.9 | 175.7 | 168.9 | 0 | 114.4 | Y506 D507 R508 S513 R514 | Y506-K510 HydrophobicContact CD1-CD 4.39Å; Y506-K510 HydrophobicContact CE1-CD 4.23Å; Y506-K510 WeakPolarHBondContact O-CG 3.5Å; Y506-K510 PolarHBondContact O-N 2.93Å; D507-K510 PolarHBondContact O-N 2.95Å; R508-K510 PolarHBondContact O-N 2.86Å; R508-K510 VanDerWaalsContact C-N 3.28Å; K510-S513 WeakPolarHBondContact CA-OG 3.39Å; K510-R514 WeakPolarHBondContact O-CB 3.34Å; K510-R514 VanDerWaalsContact O-CD 3.28Å; K510-R514 WeakPolarHBondContact O-CD 3.43Å; K510-R514 WeakPolarHBondContact O-CG 3.26Å |
| 511 | Q | 53.6 | Low | 52.3 | Low | 109 Ų | 109 | 85.1 Ų | 85.1 | 51% | 0.509 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -74.2 | -35.8 | 176.9 | -74.4 | 172.4 | 10.5 | 0 | 0 | 112.1 | D507 R508 Y509 | D507-Q511 WeakPolarHBondContact O-CG 3.2Å; D507-Q511 PolarHBondContact O-N 2.67Å; R508-Q511 WeakPolarHBondContact O-CB 3.36Å; R508-Q511 PolarHBondContact O-N 3.49Å; Y509-Q511 VanDerWaalsContact C-N 3.27Å; Y509-Q511 PolarHBondContact O-N 2.99Å |
| 512 | L | 44.9 | Very low | 52.2 | Low | 64 Ų | 64 | 90.4 Ų | 90.4 | 34% | 0.335 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -78.3 | -38.5 | 180 | -66.8 | 172.5 | 0 | 0 | 0 | 111.3 | C405 R508 Y509 R514 K515 | C405-L512 HydrophobicContact CB-CD1 4.1Å; R508-L512 HydrophobicContact CG-CD1 4.23Å; R508-L512 PolarHBondContact O-N 2.92Å; Y509-L512 PolarHBondContact O-N 2.89Å; Y509-L512 VanDerWaalsContact O-N 3.14Å; L512-R514 PolarHBondContact O-N 3.05Å; L512-K515 PolarHBondContact O-N 3.09Å |
| 513 | S | 41.8 | Very low | 52.1 | Low | 52 Ų | 52 | 93.8 Ų | 93.8 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -4 | 176.7 | 63.7 | 0 | 0 | 0 | 0 | 115.1 | Y509 K510 | Y509-S513 WeakPolarHBondContact O-CB 3.14Å; Y509-S513 VanDerWaalsContact O-OG 3.05Å; Y509-S513 PolarHBondContact O-OG 3.48Å; Y509-S513 PolarHBondContact O-N 2.66Å; K510-S513 WeakPolarHBondContact CA-OG 3.39Å |
| 514 | R | 48.4 | Very low | 51.3 | Low | 207 Ų | 207 | 96.2 Ų | 96.2 | 78% | 0.781 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -3.4 | 175.8 | -78.1 | 178 | -178.8 | -172.1 | 0.5 | 113.9 | K510 L512 | K510-R514 WeakPolarHBondContact O-CB 3.34Å; K510-R514 VanDerWaalsContact O-CD 3.28Å; K510-R514 WeakPolarHBondContact O-CD 3.43Å; K510-R514 WeakPolarHBondContact O-CG 3.26Å; L512-R514 PolarHBondContact O-N 3.05Å |
| 515 | K | 40.1 | Very low | 50.4 | Low | 214 Ų | 214 | 98.9 Ų | 98.9 | 93% | 0.93 | 44% | 0.436 | S | S | * | . | trans | -104 | 0 | 174 | -76.1 | -173.1 | 174.8 | -175.3 | 0 | 109.4 | L512 | L512-K515 PolarHBondContact O-N 3.09Š|
Retrieved 515 of 515 residues in 269.2 ms
(Link to these results)