| 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 | 82.3 | Confident | 83.6 | Confident | 50 Ų | 50 | 70.7 Ų | 70.7 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | 0 | 143.8 | 0 | -173.1 | 174.6 | 67.1 | 0 | 0 | 109.4 | L3 E15 T16 I60 I65 V66 N67 | M1-L3 HydrophobicContact CE-CD1 3.69Å; M1-L3 HydrophobicContact CE-CD2 3.61Å; M1-L3 HydrophobicContact CE-CG 3.76Å; M1-L3 HydrophobicContact SD-CD2 4.5Å; M1-E15 CarbonylContact O-C 3.59Å; M1-E15 WeakPolarHBondContact O-CA 3.44Å; M1-T16 WeakPolarHBondContact CB-OG1 3.28Å; M1-T16 PolarHBondContact N-O 3.23Å; M1-T16 PolarHBondContact N-OG1 3.03Å; M1-T16 PolarHBondContact O-N 2.74Å; M1-T16 PolarHBondContact O-OG1 2.87Å; M1-I60 HydrophobicContact CE-CG2 3.43Å; M1-I60 VanDerWaalsContact CE-CG2 3.43Å; M1-I65 HydrophobicContact CE-CG2 4.06Å; M1-V66 VanDerWaalsContact SD-C 3.53Å; M1-N67 VanDerWaalsContact CG-CA 3.43Å; M1-N67 HydrophobicContact CG-CB 3.65Å; M1-N67 HydrophobicContact SD-CB 4.3Å; M1-N67 PolarHBondContact SD-N 3.04Å | |||
| 2 | K | 86.4 | Confident | 83.9 | Confident | 118 Ų | 118 | 71.9 Ų | 71.9 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.1 | 178.2 | -57.3 | -162.6 | -176 | -142.1 | 0 | 110.6 | V13 E15 N67 G68 | K2-V13 HydrophobicContact CB-CG1 4.47Å; K2-E15 WeakPolarHBondContact CE-OE1 3.16Å; K2-E15 HydrophobicContact CG-CG 4.21Å; K2-E15 IonicContact NZ-OE1 2.73Å; K2-E15 PolarHBondContact NZ-OE1 3.33Å; K2-N67 PolarHBondContact N-OD1 3.12Å; K2-N67 PolarHBondContact O-OD1 3.14Å; K2-G68 WeakPolarHBondContact O-CA 3.5Å; K2-G68 PolarHBondContact O-N 3.38Å |
| 3 | L | 88.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 148.9 | 179 | -65.6 | 170.6 | 0 | 0 | 0 | 110.3 | M1 V13 F14 T16 I26 I65 D69 I71 | M1-L3 HydrophobicContact CE-CD1 3.69Å; M1-L3 HydrophobicContact CE-CD2 3.61Å; M1-L3 HydrophobicContact CE-CG 3.76Å; M1-L3 HydrophobicContact SD-CD2 4.5Å; L3-V13 CarbonylContact O-C 3.57Å; L3-V13 WeakPolarHBondContact O-CA 3.48Å; L3-F14 HydrophobicContact CD1-CD1 4.37Å; L3-F14 PolarHBondContact N-O 2.8Å; L3-F14 PolarHBondContact O-N 2.83Å; L3-T16 HydrophobicContact CD1-CG2 4.06Å; L3-I26 HydrophobicContact CD1-CD1 4.05Å; L3-I26 HydrophobicContact CD1-CG1 4.45Å; L3-I65 HydrophobicContact CD1-CG2 4.42Å; L3-I65 HydrophobicContact CD2-CG2 3.5Å; L3-D69 HydrophobicContact CD2-CB 4.17Å; L3-I71 HydrophobicContact CB-CD1 4.28Å; L3-I71 HydrophobicContact CD1-CD1 3.75Å; L3-I71 HydrophobicContact CD2-CD1 4.2Å; L3-I71 HydrophobicContact CG-CD1 4.3Å |
| 4 | R | 89.4 | Confident | 84.3 | Confident | 116 Ų | 116 | 69.5 Ų | 69.5 | 44% | 0.438 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 105.1 | 176.1 | -72.7 | -178.4 | -72 | 178.5 | -3.2 | 110 | H12 V13 G68 D69 I70 I71 | R4-H12 CarbonylContact C-O 3.46Å; R4-V13 HydrophobicContact CG-CG2 4.44Å; R4-G68 PolarHBondContact NE-O 2.55Å; R4-G68 PolarHBondContact NH2-O 2.85Å; R4-D69 PolarHBondContact N-O 3.21Å; R4-I70 HydrophobicContact CB-CG1 4.13Å; R4-I70 CarbonylContact O-C 3.45Å; R4-I70 VanDerWaalsContact O-CA 3.3Å; R4-I70 WeakPolarHBondContact O-CA 3.2Å; R4-I71 PolarHBondContact O-N 2.84Å |
| 5 | L | 90.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 120.9 | 175.1 | -56.4 | -169.6 | 0 | 0 | 0 | 109.8 | F11 H12 F14 I26 I33 F34 I71 I73 | L5-F11 CarbonylContact O-C 3.6Å; L5-F11 VanDerWaalsContact O-CA 3.31Å; L5-F11 WeakPolarHBondContact O-CA 3.31Å; L5-H12 HydrophobicContact CB-CB 4.47Å; L5-H12 PolarHBondContact N-O 3Å; L5-H12 PolarHBondContact O-N 2.83Å; L5-F14 HydrophobicContact CD1-CB 3.8Å; L5-F14 HydrophobicContact CD1-CG 4.24Å; L5-F14 HydrophobicContact CD2-CB 4.35Å; L5-F14 HydrophobicContact CG-CB 3.81Å; L5-I26 HydrophobicContact CD2-CG2 3.85Å; L5-I33 HydrophobicContact CD1-CD1 4.12Å; L5-F34 HydrophobicContact CB-CE2 3.95Å; L5-F34 HydrophobicContact CB-CZ 4.09Å; L5-F34 HydrophobicContact CD1-CE2 4.38Å; L5-I71 CarbonylContact C-O 3.46Å; L5-I71 WeakPolarHBondContact CA-O 3.37Å; L5-I71 HydrophobicContact CD2-CB 3.75Å; L5-I71 HydrophobicContact CD2-CD1 4.19Å; L5-I71 HydrophobicContact CD2-CG1 4.35Å; L5-I71 HydrophobicContact CD2-CG2 4.07Å; L5-I73 HydrophobicContact CB-CD1 3.66Å; L5-I73 HydrophobicContact CD1-CD1 4.07Å; L5-I73 HydrophobicContact CD2-CD1 4.3Å; L5-I73 HydrophobicContact CG-CD1 4.21Å |
| 6 | K | 88.5 | Confident | 83.9 | Confident | 63 Ų | 63 | 68.9 Ų | 68.9 | 27% | 0.274 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.8 | 177 | -172.8 | -172.9 | -175.3 | 179.8 | 0 | 110.4 | L8 K10 F11 I70 I71 Y72 I73 | K6-L8 WeakPolarHBondContact CE-O 3.23Å; K6-K10 WeakPolarHBondContact CA-O 3.29Å; K6-F11 HydrophobicContact CB-CD1 3.83Å; K6-F11 HydrophobicContact CB-CE1 3.63Å; K6-F11 HydrophobicContact CB-CZ 4.29Å; K6-F11 HydrophobicContact CD-CE1 3.59Å; K6-F11 HydrophobicContact CD-CE2 4.25Å; K6-F11 HydrophobicContact CD-CZ 3.44Å; K6-F11 VanDerWaalsContact CD-CZ 3.44Å; K6-F11 HydrophobicContact CG-CD1 3.95Å; K6-F11 HydrophobicContact CG-CE1 3.51Å; K6-F11 HydrophobicContact CG-CE2 4.15Å; K6-F11 HydrophobicContact CG-CG 4.47Å; K6-F11 HydrophobicContact CG-CZ 3.63Å; K6-I70 HydrophobicContact CB-CG2 3.97Å; K6-I71 PolarHBondContact N-O 2.77Å; K6-Y72 HydrophobicContact CB-CD1 4.36Å; K6-Y72 HydrophobicContact CD-CD1 3.74Å; K6-Y72 HydrophobicContact CD-CE1 3.55Å; K6-Y72 HydrophobicContact CG-CD1 4.49Å; K6-I73 PolarHBondContact O-N 3.31Å |
| 7 | F | 83.6 | Confident | 82.8 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.009 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 116.6 | 171.2 | -179.5 | -110.2 | 0 | 0 | 0 | 109.4 | N9 K10 F34 L36 I73 D81 | F7-N9 PolarHBondContact O-N 2.84Å; F7-N9 VanDerWaalsContact O-N 3.14Å; F7-K10 PolarHBondContact N-O 3.42Å; F7-K10 WeakPolarHBondContact O-CB 3.4Å; F7-K10 PolarHBondContact O-N 2.79Å; F7-F34 HydrophobicContact CB-CD1 3.57Å; F7-F34 HydrophobicContact CB-CD2 4.03Å; F7-F34 HydrophobicContact CB-CE1 3.57Å; F7-F34 HydrophobicContact CB-CE2 4.07Å; F7-F34 HydrophobicContact CB-CG 3.81Å; F7-F34 HydrophobicContact CB-CZ 3.82Å; F7-F34 HydrophobicContact CD1-CB 4.09Å; F7-F34 AromaticContact CD1-CD1 3.85Å; F7-F34 HydrophobicContact CD1-CD1 3.85Å; F7-F34 HydrophobicContact CD1-CG 4.05Å; F7-F34 HydrophobicContact CG-CB 4.37Å; F7-F34 HydrophobicContact CG-CD1 4.02Å; F7-F34 HydrophobicContact CG-CE1 4.49Å; F7-F34 HydrophobicContact CG-CG 4.04Å; F7-L36 HydrophobicContact CD2-CD1 4.09Å; F7-L36 HydrophobicContact CE1-CD2 4.24Å; F7-L36 HydrophobicContact CE2-CD1 3.74Å; F7-L36 HydrophobicContact CE2-CD2 4.34Å; F7-L36 HydrophobicContact CZ-CD1 3.96Å; F7-L36 HydrophobicContact CZ-CD2 3.77Å; F7-L36 HydrophobicContact CZ-CG 4.4Å; F7-I73 HydrophobicContact CB-CB 4.19Å; F7-I73 HydrophobicContact CB-CG2 4.47Å; F7-I73 HydrophobicContact CD2-CB 4.13Å; F7-I73 HydrophobicContact CD2-CG2 3.79Å; F7-I73 WeakPolarHBondContact CD2-O 3.36Å; F7-I73 HydrophobicContact CG-CG2 4.46Å; F7-D81 WeakPolarHBondContact CZ-OD1 3.49Å |
| 8 | L | 76.3 | Confident | 82.1 | Confident | 84 Ų | 84 | 68.8 Ų | 68.8 | 44% | 0.44 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -117.1 | -171.2 | -57 | 171.4 | 0 | 0 | 0 | 110.7 | K6 | K6-L8 WeakPolarHBondContact CE-O 3.23Š|
| 9 | N | 73.9 | Confident | 81.1 | Confident | 155 Ų | 155 | 68.3 Ų | 68.3 | 83% | 0.829 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 5.5 | 178.7 | -62.9 | -12.6 | 0 | 0 | 0 | 113 | F7 | F7-N9 PolarHBondContact O-N 2.84Å; F7-N9 VanDerWaalsContact O-N 3.14Å |
| 10 | K | 75.9 | Confident | 80.3 | Confident | 71 Ų | 71 | 69.3 Ų | 69.3 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.4 | -179.6 | -65.7 | 178.2 | -178.7 | 167.9 | 0 | 110.4 | K6 F7 F34 | K6-K10 WeakPolarHBondContact CA-O 3.29Å; F7-K10 PolarHBondContact N-O 3.42Å; F7-K10 WeakPolarHBondContact O-CB 3.4Å; F7-K10 PolarHBondContact O-N 2.79Å; K10-F34 HydrophobicContact CB-CE1 4.13Å |
| 11 | F | 84.3 | Confident | 80.1 | Confident | 119 Ų | 119 | 67 Ų | 67 | 52% | 0.522 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 139.9 | 170.2 | -71.9 | -91.4 | 0 | 0 | 0 | 109.8 | L5 K6 I70 | L5-F11 CarbonylContact O-C 3.6Å; L5-F11 VanDerWaalsContact O-CA 3.31Å; L5-F11 WeakPolarHBondContact O-CA 3.31Å; K6-F11 HydrophobicContact CB-CD1 3.83Å; K6-F11 HydrophobicContact CB-CE1 3.63Å; K6-F11 HydrophobicContact CB-CZ 4.29Å; K6-F11 HydrophobicContact CD-CE1 3.59Å; K6-F11 HydrophobicContact CD-CE2 4.25Å; K6-F11 HydrophobicContact CD-CZ 3.44Å; K6-F11 VanDerWaalsContact CD-CZ 3.44Å; K6-F11 HydrophobicContact CG-CD1 3.95Å; K6-F11 HydrophobicContact CG-CE1 3.51Å; K6-F11 HydrophobicContact CG-CE2 4.15Å; K6-F11 HydrophobicContact CG-CG 4.47Å; K6-F11 HydrophobicContact CG-CZ 3.63Å; F11-I70 HydrophobicContact CE1-CG2 4.25Å |
| 12 | H | 87.1 | Confident | 80.2 | Confident | 85 Ų | 85 | 66.8 Ų | 66.8 | 39% | 0.394 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 134.3 | 172.3 | -162.7 | -72.4 | 0 | 0 | 0 | 109.7 | R4 L5 I33 F34 | R4-H12 CarbonylContact C-O 3.46Å; L5-H12 HydrophobicContact CB-CB 4.47Å; L5-H12 PolarHBondContact N-O 3Å; L5-H12 PolarHBondContact O-N 2.83Å; H12-I33 HydrophobicContact CB-CG2 3.88Å; H12-I33 VanDerWaalsContact CD2-CG2 3.44Å; H12-I33 WeakPolarHBondContact CD2-CG2 3.32Å; H12-F34 HydrophobicContact CB-CZ 4.01Å |
| 13 | V | 87.8 | Confident | 80.2 | Confident | 81 Ų | 81 | 61.2 Ų | 61.2 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.8 | 173.3 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | K2 L3 R4 | K2-V13 HydrophobicContact CB-CG1 4.47Å; L3-V13 CarbonylContact O-C 3.57Å; L3-V13 WeakPolarHBondContact O-CA 3.48Å; R4-V13 HydrophobicContact CG-CG2 4.44Å |
| 14 | F | 85.6 | Confident | 80.1 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 13% | 0.127 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127 | 176.7 | 175.3 | -122.2 | 0 | 0 | 0 | 108.8 | L3 L5 T16 E25 I26 S29 | L3-F14 HydrophobicContact CD1-CD1 4.37Å; L3-F14 PolarHBondContact N-O 2.8Å; L3-F14 PolarHBondContact O-N 2.83Å; L5-F14 HydrophobicContact CD1-CB 3.8Å; L5-F14 HydrophobicContact CD1-CG 4.24Å; L5-F14 HydrophobicContact CD2-CB 4.35Å; L5-F14 HydrophobicContact CG-CB 3.81Å; F14-T16 HydrophobicContact CD1-CG2 3.75Å; F14-T16 HydrophobicContact CE1-CG2 3.21Å; F14-T16 HydrophobicContact CZ-CG2 3.88Å; F14-E25 HydrophobicContact CZ-CB 4.27Å; F14-I26 HydrophobicContact CD1-CG1 4.24Å; F14-I26 HydrophobicContact CE1-CG1 3.82Å; F14-S29 WeakPolarHBondContact CD2-OG 3.19Å; F14-S29 VanDerWaalsContact CE2-CB 3.44Å; F14-S29 WeakPolarHBondContact CE2-OG 3.31Å |
| 15 | E | 83.9 | Confident | 80 | Confident | 120 Ų | 120 | 61.3 Ų | 61.3 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 115.2 | 178.3 | -57.1 | -167.6 | 157.6 | 0 | 0 | 108.7 | M1 K2 | M1-E15 CarbonylContact O-C 3.59Å; M1-E15 WeakPolarHBondContact O-CA 3.44Å; K2-E15 WeakPolarHBondContact CE-OE1 3.16Å; K2-E15 HydrophobicContact CG-CG 4.21Å; K2-E15 IonicContact NZ-OE1 2.73Å; K2-E15 PolarHBondContact NZ-OE1 3.33Å |
| 16 | T | 78.5 | Confident | 79.8 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | trans | -90.7 | 154.1 | 171.3 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | M1 L3 F14 A18 D21 I60 | M1-T16 WeakPolarHBondContact CB-OG1 3.28Å; M1-T16 PolarHBondContact N-O 3.23Å; M1-T16 PolarHBondContact N-OG1 3.03Å; M1-T16 PolarHBondContact O-N 2.74Å; M1-T16 PolarHBondContact O-OG1 2.87Å; L3-T16 HydrophobicContact CD1-CG2 4.06Å; F14-T16 HydrophobicContact CD1-CG2 3.75Å; F14-T16 HydrophobicContact CE1-CG2 3.21Å; F14-T16 HydrophobicContact CZ-CG2 3.88Å; T16-A18 PolarHBondContact OG1-O 2.84Å; T16-D21 WeakPolarHBondContact CB-OD2 3.36Å; T16-I60 HydrophobicContact CG2-CD1 4.2Å | ||
| 17 | A | 65.8 | Low | 79.9 | Confident | 101 Ų | 101 | 58.3 Ų | 58.3 | 84% | 0.835 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -78.6 | -39.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D21 | A17-D21 PolarHBondContact N-OD2 2.89Å; A17-D21 VanDerWaalsContact N-OD2 3.08Å |
| 18 | A | 68.5 | Low | 80.1 | Confident | 34 Ų | 34 | 62.8 Ų | 62.8 | 28% | 0.281 | 35% | 0.352 | S | S | . | . | trans | -137.8 | 161 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | T16 S20 D21 | T16-A18 PolarHBondContact OG1-O 2.84Å; A18-S20 WeakPolarHBondContact CB-OG 3.48Å; A18-D21 PolarHBondContact N-OD2 2.75Å; A18-D21 VanDerWaalsContact O-CG 3.29Å; A18-D21 PolarHBondContact O-N 2.89Å; A18-D21 VanDerWaalsContact O-OD2 3.07Å | ||
| 19 | A | 63.6 | Low | 80.6 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 50% | 0.496 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -16.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D21 S61 | A19-D21 VanDerWaalsContact C-N 3.26Å; A19-S61 PolarHBondContact O-N 3.34Å |
| 20 | S | 65.5 | Low | 81.2 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 61% | 0.608 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -6.4 | 174.6 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | A18 | A18-S20 WeakPolarHBondContact CB-OG 3.48Š|
| 21 | D | 76.5 | Confident | 81.7 | Confident | 21 Ų | 21 | 50.2 Ų | 50.2 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | trans | -62.5 | 148.9 | -178.7 | -63.8 | -14 | 0 | 0 | 0 | 109.8 | T16 A17 A18 A19 I60 | T16-D21 WeakPolarHBondContact CB-OD2 3.36Å; A17-D21 PolarHBondContact N-OD2 2.89Å; A17-D21 VanDerWaalsContact N-OD2 3.08Å; A18-D21 PolarHBondContact N-OD2 2.75Å; A18-D21 VanDerWaalsContact O-CG 3.29Å; A18-D21 PolarHBondContact O-N 2.89Å; A18-D21 VanDerWaalsContact O-OD2 3.07Å; A19-D21 VanDerWaalsContact C-N 3.26Å; D21-I60 HydrophobicContact CB-CD1 3.94Å; D21-I60 WeakPolarHBondContact O-CB 3.43Å; D21-I60 WeakPolarHBondContact O-CD1 3.42Å; D21-I60 WeakPolarHBondContact O-CG1 3.46Å; D21-I60 PolarHBondContact O-N 3.31Å | ||
| 22 | T | 84.4 | Confident | 81.7 | Confident | 46 Ų | 46 | 53.5 Ų | 53.5 | 28% | 0.282 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -89.8 | 159 | -176.3 | 57.5 | 0 | 0 | 0 | 0 | 110.6 | N24 E25 S56 Q58 | T22-N24 PolarHBondContact O-N 3.5Å; T22-N24 VanDerWaalsContact OG1-CB 3.24Å; T22-N24 WeakPolarHBondContact OG1-CB 3.36Å; T22-E25 PolarHBondContact O-N 3.09Å; T22-S56 WeakPolarHBondContact CB-O 3.47Å; T22-Q58 WeakPolarHBondContact CA-O 3.28Å |
| 23 | L | 85.9 | Confident | 81.6 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.6 | -23.6 | 170.7 | -77.9 | -171.1 | 0 | 0 | 0 | 112.5 | E25 I26 F27 Y51 S56 Q58 L63 I65 | L23-E25 VanDerWaalsContact C-N 3.27Å; L23-E25 PolarHBondContact O-N 3.05Å; L23-I26 HydrophobicContact CD2-CD1 3.87Å; L23-I26 WeakPolarHBondContact O-CB 3.36Å; L23-I26 PolarHBondContact O-N 2.85Å; L23-F27 HydrophobicContact CB-CD2 4.19Å; L23-F27 HydrophobicContact CB-CE2 4Å; L23-F27 HydrophobicContact CD1-CE2 4.39Å; L23-F27 WeakPolarHBondContact O-CD2 3.43Å; L23-F27 PolarHBondContact O-N 2.86Å; L23-Y51 HydrophobicContact CD1-CG 4.22Å; L23-S56 PolarHBondContact N-O 3.18Å; L23-Q58 HydrophobicContact CD1-CB 4.43Å; L23-Q58 PolarHBondContact N-O 3.05Å; L23-L63 HydrophobicContact CD1-CD1 3.36Å; L23-L63 HydrophobicContact CD2-CD1 3.6Å; L23-L63 HydrophobicContact CG-CD1 3.45Å; L23-L63 VanDerWaalsContact CG-CD1 3.45Å; L23-I65 HydrophobicContact CD2-CD1 4.05Å |
| 24 | N | 87.2 | Confident | 81.2 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -52.6 | -42.7 | 178.6 | -155.9 | 39 | 0 | 0 | 0 | 113.4 | T22 I26 F27 E28 R38 S56 | T22-N24 PolarHBondContact O-N 3.5Å; T22-N24 VanDerWaalsContact OG1-CB 3.24Å; T22-N24 WeakPolarHBondContact OG1-CB 3.36Å; N24-I26 VanDerWaalsContact C-N 3.32Å; N24-I26 PolarHBondContact O-N 2.84Å; N24-F27 PolarHBondContact O-N 3.32Å; N24-E28 PolarHBondContact O-N 3.05Å; N24-R38 PolarHBondContact ND2-NH2 2.77Å; N24-R38 PolarHBondContact OD1-NH2 3.46Å; N24-S56 PolarHBondContact N-O 3.03Å |
| 25 | E | 86.1 | Confident | 80.7 | Confident | 76 Ų | 76 | 50.4 Ų | 50.4 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 178.4 | -63.6 | -170.5 | 175.6 | 0 | 0 | 111.7 | F14 T22 L23 E28 S29 | F14-E25 HydrophobicContact CZ-CB 4.27Å; T22-E25 PolarHBondContact O-N 3.09Å; L23-E25 VanDerWaalsContact C-N 3.27Å; L23-E25 PolarHBondContact O-N 3.05Å; E25-E28 PolarHBondContact O-N 2.84Å; E25-S29 WeakPolarHBondContact O-CB 3.35Å; E25-S29 PolarHBondContact O-N 3.4Å |
| 26 | I | 87.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 176.8 | -58.4 | 165.8 | 0 | 0 | 0 | 109.8 | L3 L5 F14 L23 N24 S29 A30 I43 I60 I71 | L3-I26 HydrophobicContact CD1-CD1 4.05Å; L3-I26 HydrophobicContact CD1-CG1 4.45Å; L5-I26 HydrophobicContact CD2-CG2 3.85Å; F14-I26 HydrophobicContact CD1-CG1 4.24Å; F14-I26 HydrophobicContact CE1-CG1 3.82Å; L23-I26 HydrophobicContact CD2-CD1 3.87Å; L23-I26 WeakPolarHBondContact O-CB 3.36Å; L23-I26 PolarHBondContact O-N 2.85Å; N24-I26 VanDerWaalsContact C-N 3.32Å; N24-I26 PolarHBondContact O-N 2.84Å; I26-S29 PolarHBondContact O-N 3.37Å; I26-A30 WeakPolarHBondContact O-CB 3.36Å; I26-A30 PolarHBondContact O-N 3.12Å; I26-I43 HydrophobicContact CB-CD1 3.99Å; I26-I43 HydrophobicContact CG2-CD1 3.56Å; I26-I43 HydrophobicContact CG2-CG1 4.47Å; I26-I60 HydrophobicContact CD1-CD1 3.63Å; I26-I60 HydrophobicContact CD1-CG1 3.8Å; I26-I60 HydrophobicContact CG1-CD1 4.19Å; I26-I71 HydrophobicContact CD1-CD1 3.73Å; I26-I71 HydrophobicContact CG2-CD1 4.26Å; I26-I71 HydrophobicContact CG2-CG2 4.29Å |
| 27 | F | 89.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 175.1 | -79.1 | -67.1 | 0 | 0 | 0 | 112.2 | L23 N24 S31 V41 I43 N52 | L23-F27 HydrophobicContact CB-CD2 4.19Å; L23-F27 HydrophobicContact CB-CE2 4Å; L23-F27 HydrophobicContact CD1-CE2 4.39Å; L23-F27 WeakPolarHBondContact O-CD2 3.43Å; L23-F27 PolarHBondContact O-N 2.86Å; N24-F27 PolarHBondContact O-N 3.32Å; F27-S31 VanDerWaalsContact O-CB 3.28Å; F27-S31 WeakPolarHBondContact O-CB 3.24Å; F27-S31 PolarHBondContact O-N 3.05Å; F27-V41 HydrophobicContact CD1-CB 3.85Å; F27-V41 HydrophobicContact CD1-CG1 3.62Å; F27-V41 HydrophobicContact CE1-CB 4.33Å; F27-V41 HydrophobicContact CE1-CG1 4.06Å; F27-V41 VanDerWaalsContact CE1-O 3.26Å; F27-V41 WeakPolarHBondContact CE1-O 3.4Å; F27-I43 HydrophobicContact CB-CD1 4.44Å; F27-I43 HydrophobicContact CD1-CD1 3.42Å; F27-I43 VanDerWaalsContact CD1-CD1 3.42Å; F27-I43 HydrophobicContact CD1-CG1 3.95Å; F27-I43 HydrophobicContact CD2-CD1 3.88Å; F27-I43 HydrophobicContact CE1-CB 4.22Å; F27-I43 HydrophobicContact CE1-CD1 3.43Å; F27-I43 VanDerWaalsContact CE1-CD1 3.43Å; F27-I43 HydrophobicContact CE1-CG1 3.61Å; F27-I43 HydrophobicContact CE2-CD1 3.89Å; F27-I43 HydrophobicContact CG-CD1 3.64Å; F27-I43 HydrophobicContact CZ-CB 4.26Å; F27-I43 HydrophobicContact CZ-CD1 3.66Å; F27-I43 HydrophobicContact CZ-CG1 4.04Å; F27-N52 VanDerWaalsContact CZ-O 3.22Å; F27-N52 WeakPolarHBondContact CZ-O 3.48Å |
| 28 | E | 87.9 | Confident | 81.1 | Confident | 96 Ų | 96 | 48 Ų | 48 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 177.2 | -74.4 | -173.1 | -178.8 | 0 | 0 | 112.1 | N24 E25 S31 K32 R38 | N24-E28 PolarHBondContact O-N 3.05Å; E25-E28 PolarHBondContact O-N 2.84Å; E28-S31 PolarHBondContact O-N 3.05Å; E28-K32 WeakPolarHBondContact O-CB 3.5Å; E28-K32 PolarHBondContact O-N 2.83Å; E28-R38 VanDerWaalsContact CG-NH1 3.34Å; E28-R38 IonicContact OE1-CZ 3.94Å; E28-R38 IonicContact OE1-NH1 3.65Å; E28-R38 PolarHBondContact OE1-NH1 3.35Å; E28-R38 IonicContact OE1-NH2 2.72Å; E28-R38 PolarHBondContact OE1-NH2 2.9Å |
| 29 | S | 87.3 | Confident | 81.7 | Confident | 18 Ų | 18 | 52 Ų | 52 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 177.6 | -171.4 | 0 | 0 | 0 | 0 | 111.2 | F14 E25 I26 S31 K32 I33 | F14-S29 WeakPolarHBondContact CD2-OG 3.19Å; F14-S29 VanDerWaalsContact CE2-CB 3.44Å; F14-S29 WeakPolarHBondContact CE2-OG 3.31Å; E25-S29 WeakPolarHBondContact O-CB 3.35Å; E25-S29 PolarHBondContact O-N 3.4Å; I26-S29 PolarHBondContact O-N 3.37Å; S29-S31 PolarHBondContact O-N 3.19Å; S29-K32 PolarHBondContact O-N 3.3Å; S29-I33 VanDerWaalsContact O-CB 3.24Å; S29-I33 WeakPolarHBondContact O-CB 3.17Å; S29-I33 WeakPolarHBondContact O-CD1 3.4Å; S29-I33 WeakPolarHBondContact O-CG1 3.38Å; S29-I33 PolarHBondContact O-N 3.2Å; S29-I33 WeakPolarHBondContact OG-CD1 3.47Å |
| 30 | A | 86.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.3 | -47 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I26 K32 F34 V41 I73 | I26-A30 WeakPolarHBondContact O-CB 3.36Å; I26-A30 PolarHBondContact O-N 3.12Å; A30-K32 VanDerWaalsContact C-N 3.33Å; A30-K32 PolarHBondContact O-N 2.71Å; A30-F34 HydrophobicContact CB-CD2 4.3Å; A30-F34 WeakPolarHBondContact O-CB 3.32Å; A30-F34 VanDerWaalsContact O-CD2 3.3Å; A30-F34 WeakPolarHBondContact O-CD2 3.48Å; A30-F34 PolarHBondContact O-N 3.34Å; A30-V41 HydrophobicContact CB-CG1 3.95Å; A30-I73 HydrophobicContact CB-CD1 3.51Å; A30-I73 HydrophobicContact CB-CG1 4.16Å; A30-I73 HydrophobicContact CB-CG2 4.35Å |
| 31 | S | 85.9 | Confident | 83.4 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 19% | 0.189 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.2 | -46.4 | 177.3 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | F27 E28 S29 G35 L36 R38 | F27-S31 VanDerWaalsContact O-CB 3.28Å; F27-S31 WeakPolarHBondContact O-CB 3.24Å; F27-S31 PolarHBondContact O-N 3.05Å; E28-S31 PolarHBondContact O-N 3.05Å; S29-S31 PolarHBondContact O-N 3.19Å; S31-G35 CarbonylContact O-C 3.58Å; S31-G35 VanDerWaalsContact O-CA 3.25Å; S31-G35 WeakPolarHBondContact O-CA 3.13Å; S31-G35 PolarHBondContact O-N 3.24Å; S31-L36 WeakPolarHBondContact CA-O 3.38Å; S31-L36 WeakPolarHBondContact CB-O 3.38Å; S31-L36 PolarHBondContact O-N 2.73Å; S31-L36 PolarHBondContact OG-O 3.09Å; S31-R38 PolarHBondContact OG-N 2.81Å |
| 32 | K | 84.7 | Confident | 83.9 | Confident | 189 Ų | 189 | 46 Ų | 46 | 82% | 0.822 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -71.8 | -45.5 | -179.1 | -171.4 | 176.7 | -179.4 | 179.3 | 0 | 113.1 | E28 S29 A30 | E28-K32 WeakPolarHBondContact O-CB 3.5Å; E28-K32 PolarHBondContact O-N 2.83Å; S29-K32 PolarHBondContact O-N 3.3Å; A30-K32 VanDerWaalsContact C-N 3.33Å; A30-K32 PolarHBondContact O-N 2.71Å |
| 33 | I | 84.4 | Confident | 84.2 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 29% | 0.287 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.9 | -44.5 | -176.9 | -70.2 | 164.8 | 0 | 0 | 0 | 110.9 | L5 H12 S29 | L5-I33 HydrophobicContact CD1-CD1 4.12Å; H12-I33 HydrophobicContact CB-CG2 3.88Å; H12-I33 VanDerWaalsContact CD2-CG2 3.44Å; H12-I33 WeakPolarHBondContact CD2-CG2 3.32Å; S29-I33 VanDerWaalsContact O-CB 3.24Å; S29-I33 WeakPolarHBondContact O-CB 3.17Å; S29-I33 WeakPolarHBondContact O-CD1 3.4Å; S29-I33 WeakPolarHBondContact O-CG1 3.38Å; S29-I33 PolarHBondContact O-N 3.2Å; S29-I33 WeakPolarHBondContact OG-CD1 3.47Å |
| 34 | F | 80.5 | Confident | 84.3 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 6% | 0.057 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -96.7 | 0.9 | -175.4 | -57.7 | -67.3 | 0 | 0 | 0 | 113.1 | L5 F7 K10 H12 A30 L36 I73 Q84 | L5-F34 HydrophobicContact CB-CE2 3.95Å; L5-F34 HydrophobicContact CB-CZ 4.09Å; L5-F34 HydrophobicContact CD1-CE2 4.38Å; F7-F34 HydrophobicContact CB-CD1 3.57Å; F7-F34 HydrophobicContact CB-CD2 4.03Å; F7-F34 HydrophobicContact CB-CE1 3.57Å; F7-F34 HydrophobicContact CB-CE2 4.07Å; F7-F34 HydrophobicContact CB-CG 3.81Å; F7-F34 HydrophobicContact CB-CZ 3.82Å; F7-F34 HydrophobicContact CD1-CB 4.09Å; F7-F34 AromaticContact CD1-CD1 3.85Å; F7-F34 HydrophobicContact CD1-CD1 3.85Å; F7-F34 HydrophobicContact CD1-CG 4.05Å; F7-F34 HydrophobicContact CG-CB 4.37Å; F7-F34 HydrophobicContact CG-CD1 4.02Å; F7-F34 HydrophobicContact CG-CE1 4.49Å; F7-F34 HydrophobicContact CG-CG 4.04Å; K10-F34 HydrophobicContact CB-CE1 4.13Å; H12-F34 HydrophobicContact CB-CZ 4.01Å; A30-F34 HydrophobicContact CB-CD2 4.3Å; A30-F34 WeakPolarHBondContact O-CB 3.32Å; A30-F34 VanDerWaalsContact O-CD2 3.3Å; A30-F34 WeakPolarHBondContact O-CD2 3.48Å; A30-F34 PolarHBondContact O-N 3.34Å; F34-L36 HydrophobicContact CB-CD1 3.96Å; F34-L36 HydrophobicContact CB-CG 3.83Å; F34-L36 PolarHBondContact O-N 3.41Å; F34-I73 HydrophobicContact CD2-CD1 3.71Å; F34-I73 HydrophobicContact CE2-CD1 3.24Å; F34-I73 HydrophobicContact CZ-CD1 4.21Å; F34-Q84 PolarHBondContact O-NE2 2.83Å |
| 35 | G | 74.7 | Confident | 84.2 | Confident | 61 Ų | 61 | 44.2 Ų | 44.2 | 63% | 0.629 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 30 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S31 | S31-G35 CarbonylContact O-C 3.58Å; S31-G35 VanDerWaalsContact O-CA 3.25Å; S31-G35 WeakPolarHBondContact O-CA 3.13Å; S31-G35 PolarHBondContact O-N 3.24Å |
| 36 | L | 78.5 | Confident | 84.1 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | trans | -91.9 | 147.7 | 179.2 | -57.1 | 176.7 | 0 | 0 | 0 | 109.3 | F7 S31 F34 R38 V41 I73 D80 | F7-L36 HydrophobicContact CD2-CD1 4.09Å; F7-L36 HydrophobicContact CE1-CD2 4.24Å; F7-L36 HydrophobicContact CE2-CD1 3.74Å; F7-L36 HydrophobicContact CE2-CD2 4.34Å; F7-L36 HydrophobicContact CZ-CD1 3.96Å; F7-L36 HydrophobicContact CZ-CD2 3.77Å; F7-L36 HydrophobicContact CZ-CG 4.4Å; S31-L36 WeakPolarHBondContact CA-O 3.38Å; S31-L36 WeakPolarHBondContact CB-O 3.38Å; S31-L36 PolarHBondContact O-N 2.73Å; S31-L36 PolarHBondContact OG-O 3.09Å; F34-L36 HydrophobicContact CB-CD1 3.96Å; F34-L36 HydrophobicContact CB-CG 3.83Å; F34-L36 PolarHBondContact O-N 3.41Å; L36-R38 PolarHBondContact O-N 3.47Å; L36-V41 HydrophobicContact CB-CG2 3.81Å; L36-V41 HydrophobicContact CD1-CG2 4.18Å; L36-I73 HydrophobicContact CD1-CG2 3.93Å; L36-D80 HydrophobicContact CD2-CB 3.65Å | ||
| 37 | K | 77.5 | Confident | 83.8 | Confident | 94 Ų | 94 | 46.1 Ų | 46.1 | 41% | 0.409 | 24% | 0.241 | S | C | . | . | trans | -67.4 | 130.8 | 167.2 | -64.4 | -175.9 | -170.2 | 164.3 | 0 | 109.7 | E39 N40 V41 E77 D80 | K37-E39 VanDerWaalsContact C-N 3.29Å; K37-E39 HydrophobicContact CB-CG 4.1Å; K37-E39 WeakPolarHBondContact CD-OE1 3.3Å; K37-E39 IonicContact NZ-OE1 3.05Å; K37-E39 PolarHBondContact O-N 3.07Å; K37-N40 HydrophobicContact CB-CB 4.42Å; K37-N40 WeakPolarHBondContact O-CA 3.45Å; K37-N40 WeakPolarHBondContact O-CB 3.48Å; K37-N40 PolarHBondContact O-N 2.77Å; K37-V41 PolarHBondContact O-N 2.88Å; K37-E77 IonicContact NZ-OE1 3.38Å; K37-E77 PolarHBondContact NZ-OE1 2.81Å; K37-E77 IonicContact NZ-OE2 2.73Å; K37-D80 PolarHBondContact N-OD2 2.89Å | ||
| 38 | R | 79.9 | Confident | 83.3 | Confident | 81 Ų | 81 | 54.2 Ų | 54.2 | 31% | 0.306 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -51.8 | -43.6 | -177.3 | -174.8 | -170.3 | -178.3 | 147.8 | 5.6 | 113.7 | N24 E28 S31 L36 N40 V41 I53 | N24-R38 PolarHBondContact ND2-NH2 2.77Å; N24-R38 PolarHBondContact OD1-NH2 3.46Å; E28-R38 VanDerWaalsContact CG-NH1 3.34Å; E28-R38 IonicContact OE1-CZ 3.94Å; E28-R38 IonicContact OE1-NH1 3.65Å; E28-R38 PolarHBondContact OE1-NH1 3.35Å; E28-R38 IonicContact OE1-NH2 2.72Å; E28-R38 PolarHBondContact OE1-NH2 2.9Å; S31-R38 PolarHBondContact OG-N 2.81Å; L36-R38 PolarHBondContact O-N 3.47Å; R38-N40 PolarHBondContact O-N 2.83Å; R38-N40 VanDerWaalsContact O-N 3.16Å; R38-V41 PolarHBondContact O-N 3.15Å; R38-V41 VanDerWaalsContact O-N 3.07Å; R38-I53 HydrophobicContact CG-CD1 3.83Å |
| 39 | E | 80.6 | Confident | 83.1 | Confident | 116 Ų | 116 | 54.4 Ų | 54.4 | 54% | 0.542 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -58.7 | -25.1 | 177.4 | 62.8 | -169.4 | 171.9 | 0 | 0 | 113.4 | K37 | K37-E39 VanDerWaalsContact C-N 3.29Å; K37-E39 HydrophobicContact CB-CG 4.1Å; K37-E39 WeakPolarHBondContact CD-OE1 3.3Å; K37-E39 IonicContact NZ-OE1 3.05Å; K37-E39 PolarHBondContact O-N 3.07Å |
| 40 | N | 80.8 | Confident | 83 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -95.8 | -4.7 | -179.1 | -66.3 | -36.7 | 0 | 0 | 0 | 113.2 | K37 R38 S75 L76 E77 | K37-N40 HydrophobicContact CB-CB 4.42Å; K37-N40 WeakPolarHBondContact O-CA 3.45Å; K37-N40 WeakPolarHBondContact O-CB 3.48Å; K37-N40 PolarHBondContact O-N 2.77Å; R38-N40 PolarHBondContact O-N 2.83Å; R38-N40 VanDerWaalsContact O-N 3.16Å; N40-S75 CarbonylContact O-C 3.57Å; N40-S75 WeakPolarHBondContact O-CA 3.23Å; N40-L76 HydrophobicContact CB-CB 4.09Å; N40-L76 WeakPolarHBondContact O-CB 3.42Å; N40-L76 PolarHBondContact O-N 3.14Å; N40-E77 HydrophobicContact CB-CB 4.26Å; N40-E77 WeakPolarHBondContact ND2-CB 3.36Å; N40-E77 WeakPolarHBondContact ND2-CG 3.31Å; N40-E77 PolarHBondContact ND2-OE1 2.75Å |
| 41 | V | 84.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 131.2 | -179 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | F27 A30 L36 K37 R38 I43 I73 | F27-V41 HydrophobicContact CD1-CB 3.85Å; F27-V41 HydrophobicContact CD1-CG1 3.62Å; F27-V41 HydrophobicContact CE1-CB 4.33Å; F27-V41 HydrophobicContact CE1-CG1 4.06Å; F27-V41 VanDerWaalsContact CE1-O 3.26Å; F27-V41 WeakPolarHBondContact CE1-O 3.4Å; A30-V41 HydrophobicContact CB-CG1 3.95Å; L36-V41 HydrophobicContact CB-CG2 3.81Å; L36-V41 HydrophobicContact CD1-CG2 4.18Å; K37-V41 PolarHBondContact O-N 2.88Å; R38-V41 PolarHBondContact O-N 3.15Å; R38-V41 VanDerWaalsContact O-N 3.07Å; V41-I43 HydrophobicContact CG1-CG1 4.17Å; V41-I73 HydrophobicContact CG1-CG2 4.01Å |
| 42 | Q | 87.4 | Confident | 82.9 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139.6 | 168.2 | -85.4 | -171.6 | -35.3 | 0 | 0 | 109.2 | Y50 Y51 I73 R74 L76 | Q42-Y50 HydrophobicContact CB-CD1 3.84Å; Q42-Y50 HydrophobicContact CB-CG 4.29Å; Q42-Y51 CarbonylContact C-O 3.58Å; Q42-Y51 WeakPolarHBondContact CA-O 3.29Å; Q42-I73 CarbonylContact O-C 3.46Å; Q42-I73 WeakPolarHBondContact O-CA 3.31Å; Q42-R74 HydrophobicContact CB-CB 4.18Å; Q42-R74 PolarHBondContact N-O 3.18Å; Q42-R74 PolarHBondContact O-N 3.17Å; Q42-L76 HydrophobicContact CG-CD1 4.29Å; Q42-L76 HydrophobicContact CG-CD2 3.95Å; Q42-L76 HydrophobicContact CG-CG 3.9Å |
| 43 | I | 89.4 | Confident | 82.7 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 136.8 | -176.2 | -68 | 170.5 | 0 | 0 | 0 | 109.4 | I26 F27 V41 Y50 Y51 I71 Y72 | I26-I43 HydrophobicContact CB-CD1 3.99Å; I26-I43 HydrophobicContact CG2-CD1 3.56Å; I26-I43 HydrophobicContact CG2-CG1 4.47Å; F27-I43 HydrophobicContact CB-CD1 4.44Å; F27-I43 HydrophobicContact CD1-CD1 3.42Å; F27-I43 VanDerWaalsContact CD1-CD1 3.42Å; F27-I43 HydrophobicContact CD1-CG1 3.95Å; F27-I43 HydrophobicContact CD2-CD1 3.88Å; F27-I43 HydrophobicContact CE1-CB 4.22Å; F27-I43 HydrophobicContact CE1-CD1 3.43Å; F27-I43 VanDerWaalsContact CE1-CD1 3.43Å; F27-I43 HydrophobicContact CE1-CG1 3.61Å; F27-I43 HydrophobicContact CE2-CD1 3.89Å; F27-I43 HydrophobicContact CG-CD1 3.64Å; F27-I43 HydrophobicContact CZ-CB 4.26Å; F27-I43 HydrophobicContact CZ-CD1 3.66Å; F27-I43 HydrophobicContact CZ-CG1 4.04Å; V41-I43 HydrophobicContact CG1-CG1 4.17Å; I43-Y50 CarbonylContact O-C 3.48Å; I43-Y50 VanDerWaalsContact O-CA 3.27Å; I43-Y50 WeakPolarHBondContact O-CA 3.42Å; I43-Y51 PolarHBondContact N-O 3.26Å; I43-Y51 WeakPolarHBondContact O-CD2 3.21Å; I43-Y51 PolarHBondContact O-N 2.8Å; I43-I71 HydrophobicContact CB-CG2 4.42Å; I43-I71 HydrophobicContact CG2-CG2 3.2Å; I43-Y72 CarbonylContact C-O 3.52Å; I43-Y72 WeakPolarHBondContact CA-O 3.15Å |
| 44 | S | 88.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 144.5 | 177.1 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | N46 A47 K48 D49 Y50 Y72 | S44-N46 PolarHBondContact OG-N 3.44Å; S44-N46 PolarHBondContact OG-OD1 3.06Å; S44-N46 VanDerWaalsContact OG-OD1 3.04Å; S44-A47 VanDerWaalsContact OG-CA 3.28Å; S44-A47 WeakPolarHBondContact OG-CA 3.4Å; S44-A47 PolarHBondContact OG-N 2.97Å; S44-K48 PolarHBondContact OG-N 3.19Å; S44-D49 VanDerWaalsContact CA-O 3.3Å; S44-D49 WeakPolarHBondContact CA-O 3.2Å; S44-D49 WeakPolarHBondContact CB-O 3.5Å; S44-D49 PolarHBondContact OG-O 3.35Å; S44-Y50 VanDerWaalsContact CB-CD1 3.45Å; S44-Y50 VanDerWaalsContact CB-CE1 3.44Å; S44-Y72 PolarHBondContact N-O 2.86Å; S44-Y72 WeakPolarHBondContact O-CB 3.44Å; S44-Y72 PolarHBondContact O-N 2.78Å |
| 45 | L | 85.2 | Confident | 82.6 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -90.9 | -24 | 174.9 | -59.9 | 174.5 | 0 | 0 | 0 | 112.4 | L63 I65 I71 | L45-L63 HydrophobicContact CD1-CB 4.34Å; L45-I65 HydrophobicContact CD1-CD1 4.11Å; L45-I65 HydrophobicContact CD1-CG1 3.57Å; L45-I65 HydrophobicContact CD2-CD1 3.71Å; L45-I65 HydrophobicContact CD2-CG1 3.6Å; L45-I65 HydrophobicContact CG-CD1 4.44Å; L45-I65 HydrophobicContact CG-CG1 4.21Å; L45-I71 HydrophobicContact CD2-CG1 4.06Å |
| 46 | N | 85 | Confident | 82.9 | Confident | 76 Ų | 76 | 58.1 Ų | 58.1 | 41% | 0.406 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -120.3 | 7.3 | -175.1 | 64.5 | 2.3 | 0 | 0 | 0 | 113.3 | S44 K48 D49 | S44-N46 PolarHBondContact OG-N 3.44Å; S44-N46 PolarHBondContact OG-OD1 3.06Å; S44-N46 VanDerWaalsContact OG-OD1 3.04Å; N46-K48 PolarHBondContact O-N 3.21Å; N46-K48 VanDerWaalsContact O-N 3.11Å; N46-K48 WeakPolarHBondContact OD1-CA 3.28Å; N46-K48 PolarHBondContact OD1-N 3.47Å; N46-D49 PolarHBondContact ND2-OD2 2.95Å; N46-D49 PolarHBondContact OD1-N 3.28Å |
| 47 | A | 80.2 | Confident | 83.1 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 33% | 0.331 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 60.1 | 8.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S44 Y50 Y72 | S44-A47 VanDerWaalsContact OG-CA 3.28Å; S44-A47 WeakPolarHBondContact OG-CA 3.4Å; S44-A47 PolarHBondContact OG-N 2.97Å; A47-Y50 VanDerWaalsContact O-CE2 3.27Å; A47-Y50 WeakPolarHBondContact O-CE2 3.28Å; A47-Y50 PolarHBondContact O-OH 3.32Å; A47-Y72 HydrophobicContact CB-CD1 3.81Å; A47-Y72 HydrophobicContact CB-CD2 3.89Å; A47-Y72 HydrophobicContact CB-CE1 4.07Å; A47-Y72 HydrophobicContact CB-CE2 4.16Å; A47-Y72 HydrophobicContact CB-CG 3.71Å |
| 48 | K | 80.4 | Confident | 83.3 | Confident | 171 Ų | 171 | 63.3 Ų | 63.3 | 74% | 0.743 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -111 | -52.4 | -179.9 | -64.5 | -179 | -179 | 179.9 | 0 | 111.4 | S44 N46 Y50 | S44-K48 PolarHBondContact OG-N 3.19Å; N46-K48 PolarHBondContact O-N 3.21Å; N46-K48 VanDerWaalsContact O-N 3.11Å; N46-K48 WeakPolarHBondContact OD1-CA 3.28Å; N46-K48 PolarHBondContact OD1-N 3.47Å; K48-Y50 VanDerWaalsContact O-CD2 3.3Å; K48-Y50 WeakPolarHBondContact O-CD2 3.37Å |
| 49 | D | 83.1 | Confident | 83.5 | Confident | 99 Ų | 99 | 60.5 Ų | 60.5 | 53% | 0.529 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -99.1 | 116.7 | -175.7 | -54.8 | -48.2 | 0 | 0 | 0 | 109.4 | S44 N46 | S44-D49 VanDerWaalsContact CA-O 3.3Å; S44-D49 WeakPolarHBondContact CA-O 3.2Å; S44-D49 WeakPolarHBondContact CB-O 3.5Å; S44-D49 PolarHBondContact OG-O 3.35Å; N46-D49 PolarHBondContact ND2-OD2 2.95Å; N46-D49 PolarHBondContact OD1-N 3.28Å |
| 50 | Y | 85.6 | Confident | 83.7 | Confident | 65 Ų | 65 | 55 Ų | 55 | 26% | 0.255 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.7 | -173.4 | -72.1 | -92.7 | 0 | 0 | 0 | 111.5 | Q42 I43 S44 A47 K48 R74 | Q42-Y50 HydrophobicContact CB-CD1 3.84Å; Q42-Y50 HydrophobicContact CB-CG 4.29Å; I43-Y50 CarbonylContact O-C 3.48Å; I43-Y50 VanDerWaalsContact O-CA 3.27Å; I43-Y50 WeakPolarHBondContact O-CA 3.42Å; S44-Y50 VanDerWaalsContact CB-CD1 3.45Å; S44-Y50 VanDerWaalsContact CB-CE1 3.44Å; A47-Y50 VanDerWaalsContact O-CE2 3.27Å; A47-Y50 WeakPolarHBondContact O-CE2 3.28Å; A47-Y50 PolarHBondContact O-OH 3.32Å; K48-Y50 VanDerWaalsContact O-CD2 3.3Å; K48-Y50 WeakPolarHBondContact O-CD2 3.37Å; Y50-R74 HydrophobicContact CD1-CB 3.89Å; Y50-R74 HydrophobicContact CE1-CB 3.46Å; Y50-R74 VanDerWaalsContact CE1-CB 3.46Å; Y50-R74 HydrophobicContact CE1-CG 4.33Å |
| 51 | Y | 85.1 | Confident | 83.6 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 134 | 167.1 | -57 | -80.8 | 0 | 0 | 0 | 109.8 | L23 Q42 I43 H55 L63 | L23-Y51 HydrophobicContact CD1-CG 4.22Å; Q42-Y51 CarbonylContact C-O 3.58Å; Q42-Y51 WeakPolarHBondContact CA-O 3.29Å; I43-Y51 PolarHBondContact N-O 3.26Å; I43-Y51 WeakPolarHBondContact O-CD2 3.21Å; I43-Y51 PolarHBondContact O-N 2.8Å; Y51-H55 HydrophobicContact CD1-CB 4.06Å; Y51-L63 HydrophobicContact CE1-CD2 3.74Å; Y51-L63 HydrophobicContact CE2-CD2 4.25Å; Y51-L63 WeakPolarHBondContact OH-CD2 2.94Å |
| 52 | N | 84.1 | Confident | 83.5 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | trans | -99.4 | -179.6 | 171.5 | 65.4 | 7.8 | 0 | 0 | 0 | 110.5 | F27 N54 H55 | F27-N52 VanDerWaalsContact CZ-O 3.22Å; F27-N52 WeakPolarHBondContact CZ-O 3.48Å; N52-N54 PolarHBondContact ND2-ND2 3.41Å; N52-N54 PolarHBondContact O-N 3.02Å; N52-N54 VanDerWaalsContact O-N 3.08Å; N52-N54 VanDerWaalsContact OD1-CB 3.26Å; N52-N54 WeakPolarHBondContact OD1-CB 3.43Å; N52-N54 PolarHBondContact OD1-N 3.33Å; N52-N54 VanDerWaalsContact OD1-N 3.1Å; N52-H55 PolarHBondContact O-N 2.92Å; N52-H55 PolarHBondContact OD1-CD2 2.97Å | ||
| 53 | I | 82.3 | Confident | 83.1 | Confident | 52 Ų | 52 | 64 Ų | 64 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -59 | -21.9 | 179.3 | -157.5 | 167 | 0 | 0 | 0 | 113.6 | R38 H55 S56 | R38-I53 HydrophobicContact CG-CD1 3.83Å; I53-H55 PolarHBondContact O-N 2.85Å; I53-S56 WeakPolarHBondContact O-CB 3.38Å; I53-S56 PolarHBondContact O-N 3.31Å; I53-S56 VanDerWaalsContact O-N 3.07Å; I53-S56 PolarHBondContact O-OG 2.71Å |
| 54 | N | 80.6 | Confident | 82.7 | Confident | 127 Ų | 127 | 66.3 Ų | 66.3 | 68% | 0.679 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -68.4 | -21.4 | 178.1 | -54.9 | -10.9 | 0 | 0 | 0 | 111.9 | N52 | N52-N54 PolarHBondContact ND2-ND2 3.41Å; N52-N54 PolarHBondContact O-N 3.02Å; N52-N54 VanDerWaalsContact O-N 3.08Å; N52-N54 VanDerWaalsContact OD1-CB 3.26Å; N52-N54 WeakPolarHBondContact OD1-CB 3.43Å; N52-N54 PolarHBondContact OD1-N 3.33Å; N52-N54 VanDerWaalsContact OD1-N 3.1Å |
| 55 | H | 81.8 | Confident | 82.4 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 35% | 0.347 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -94.8 | 7.8 | 175.3 | -58.8 | -66.6 | 0 | 0 | 0 | 112.9 | Y51 N52 I53 N57 Q58 | Y51-H55 HydrophobicContact CD1-CB 4.06Å; N52-H55 PolarHBondContact O-N 2.92Å; N52-H55 PolarHBondContact OD1-CD2 2.97Å; I53-H55 PolarHBondContact O-N 2.85Å; H55-N57 PolarHBondContact O-N 3Å; H55-N57 VanDerWaalsContact O-N 3.09Å; H55-Q58 WeakPolarHBondContact O-CB 3.43Å; H55-Q58 PolarHBondContact O-N 3.01Å |
| 56 | S | 81 | Confident | 82.3 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 11% | 0.105 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -29.4 | -175.8 | 51.8 | 0 | 0 | 0 | 0 | 114.3 | T22 L23 N24 I53 Q58 | T22-S56 WeakPolarHBondContact CB-O 3.47Å; L23-S56 PolarHBondContact N-O 3.18Å; N24-S56 PolarHBondContact N-O 3.03Å; I53-S56 WeakPolarHBondContact O-CB 3.38Å; I53-S56 PolarHBondContact O-N 3.31Å; I53-S56 VanDerWaalsContact O-N 3.07Å; I53-S56 PolarHBondContact O-OG 2.71Å; S56-Q58 VanDerWaalsContact C-N 3.29Å; S56-Q58 PolarHBondContact O-N 3.21Å |
| 57 | N | 82.1 | Confident | 82.4 | Confident | 136 Ų | 136 | 70 Ų | 70 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -6.8 | -179.2 | -65.5 | -16.4 | 0 | 0 | 0 | 114.1 | H55 | H55-N57 PolarHBondContact O-N 3Å; H55-N57 VanDerWaalsContact O-N 3.09Å |
| 58 | Q | 82.6 | Confident | 82.6 | Confident | 73 Ų | 73 | 69.4 Ų | 69.4 | 34% | 0.341 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -69.5 | 134 | 177.2 | -68.3 | -179.7 | -20.7 | 0 | 0 | 109.9 | T22 L23 H55 S56 L63 | T22-Q58 WeakPolarHBondContact CA-O 3.28Å; L23-Q58 HydrophobicContact CD1-CB 4.43Å; L23-Q58 PolarHBondContact N-O 3.05Å; H55-Q58 WeakPolarHBondContact O-CB 3.43Å; H55-Q58 PolarHBondContact O-N 3.01Å; S56-Q58 VanDerWaalsContact C-N 3.29Å; S56-Q58 PolarHBondContact O-N 3.21Å; Q58-L63 HydrophobicContact CB-CD1 4.08Å; Q58-L63 HydrophobicContact CB-CG 4.46Å |
| 59 | S | 82.9 | Confident | 83 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 15% | 0.147 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 144.2 | 174.2 | 65.4 | 0 | 0 | 0 | 0 | 110.3 | S61 N62 L63 | S59-S61 PolarHBondContact O-N 2.74Å; S59-S61 PolarHBondContact OG-OG 3.06Å; S59-S61 VanDerWaalsContact OG-OG 3.11Å; S59-N62 PolarHBondContact O-N 3.02Å; S59-N62 VanDerWaalsContact O-N 3.11Å; S59-N62 WeakPolarHBondContact OG-CB 3.28Å; S59-N62 PolarHBondContact OG-N 3.31Å; S59-N62 PolarHBondContact OG-ND2 3.37Å; S59-N62 VanDerWaalsContact OG-ND2 3.17Å; S59-N62 PolarHBondContact OG-OD1 2.85Å; S59-N62 VanDerWaalsContact OG-OD1 3.13Å; S59-L63 PolarHBondContact O-N 2.88Å |
| 60 | I | 84 | Confident | 83.2 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -38.5 | 177.6 | -71.6 | 170.1 | 0 | 0 | 0 | 110.7 | M1 T16 D21 I26 N62 L63 I65 | M1-I60 HydrophobicContact CE-CG2 3.43Å; M1-I60 VanDerWaalsContact CE-CG2 3.43Å; T16-I60 HydrophobicContact CG2-CD1 4.2Å; D21-I60 HydrophobicContact CB-CD1 3.94Å; D21-I60 WeakPolarHBondContact O-CB 3.43Å; D21-I60 WeakPolarHBondContact O-CD1 3.42Å; D21-I60 WeakPolarHBondContact O-CG1 3.46Å; D21-I60 PolarHBondContact O-N 3.31Å; I26-I60 HydrophobicContact CD1-CD1 3.63Å; I26-I60 HydrophobicContact CD1-CG1 3.8Å; I26-I60 HydrophobicContact CG1-CD1 4.19Å; I60-N62 PolarHBondContact O-N 2.98Å; I60-L63 PolarHBondContact O-N 3.48Å; I60-I65 HydrophobicContact CB-CD1 4.5Å; I60-I65 HydrophobicContact CG2-CB 3.56Å; I60-I65 HydrophobicContact CG2-CD1 4.07Å; I60-I65 HydrophobicContact CG2-CG1 4.31Å; I60-I65 HydrophobicContact CG2-CG2 3.79Å; I60-I65 PolarHBondContact O-N 3.44Å |
| 61 | S | 79.6 | Confident | 83.4 | Confident | 64 Ų | 64 | 58.6 Ų | 58.6 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -60.6 | -39.7 | 175.7 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | A19 S59 L63 G64 | A19-S61 PolarHBondContact O-N 3.34Å; S59-S61 PolarHBondContact O-N 2.74Å; S59-S61 PolarHBondContact OG-OG 3.06Å; S59-S61 VanDerWaalsContact OG-OG 3.11Å; S61-L63 PolarHBondContact O-N 3.21Å; S61-G64 PolarHBondContact O-N 3.33Å; S61-G64 VanDerWaalsContact O-N 3.1Å |
| 62 | N | 82.2 | Confident | 83.6 | Confident | 135 Ų | 135 | 58.7 Ų | 58.7 | 72% | 0.722 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -71.4 | -21.3 | -177.1 | -71 | 2.8 | 0 | 0 | 0 | 112.3 | S59 I60 G64 | S59-N62 PolarHBondContact O-N 3.02Å; S59-N62 VanDerWaalsContact O-N 3.11Å; S59-N62 WeakPolarHBondContact OG-CB 3.28Å; S59-N62 PolarHBondContact OG-N 3.31Å; S59-N62 PolarHBondContact OG-ND2 3.37Å; S59-N62 VanDerWaalsContact OG-ND2 3.17Å; S59-N62 PolarHBondContact OG-OD1 2.85Å; S59-N62 VanDerWaalsContact OG-OD1 3.13Å; I60-N62 PolarHBondContact O-N 2.98Å; N62-G64 VanDerWaalsContact C-N 3.28Å |
| 63 | L | 79.2 | Confident | 83.8 | Confident | 33 Ų | 33 | 57 Ų | 57 | 17% | 0.173 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -88.5 | 2.2 | 175.6 | -68.4 | 167.4 | 0 | 0 | 0 | 112.8 | L23 L45 Y51 Q58 S59 I60 S61 I65 | L23-L63 HydrophobicContact CD1-CD1 3.36Å; L23-L63 HydrophobicContact CD2-CD1 3.6Å; L23-L63 HydrophobicContact CG-CD1 3.45Å; L23-L63 VanDerWaalsContact CG-CD1 3.45Å; L45-L63 HydrophobicContact CD1-CB 4.34Å; Y51-L63 HydrophobicContact CE1-CD2 3.74Å; Y51-L63 HydrophobicContact CE2-CD2 4.25Å; Y51-L63 WeakPolarHBondContact OH-CD2 2.94Å; Q58-L63 HydrophobicContact CB-CD1 4.08Å; Q58-L63 HydrophobicContact CB-CG 4.46Å; S59-L63 PolarHBondContact O-N 2.88Å; I60-L63 PolarHBondContact O-N 3.48Å; S61-L63 PolarHBondContact O-N 3.21Å; L63-I65 HydrophobicContact CB-CD1 4.07Å; L63-I65 HydrophobicContact CB-CG1 3.93Å; L63-I65 HydrophobicContact CD1-CD1 4.38Å; L63-I65 PolarHBondContact O-N 3Å |
| 64 | G | 80.9 | Confident | 83.8 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 53% | 0.526 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 21.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | S61 N62 | S61-G64 PolarHBondContact O-N 3.33Å; S61-G64 VanDerWaalsContact O-N 3.1Å; N62-G64 VanDerWaalsContact C-N 3.28Å |
| 65 | I | 83.1 | Confident | 83.7 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 5% | 0.046 | 30% | 0.299 | C | S | . | . | trans | -76.8 | 125.7 | 179.2 | -56.2 | 175.2 | 0 | 0 | 0 | 108.9 | M1 L3 L23 L45 I60 L63 D69 I71 | M1-I65 HydrophobicContact CE-CG2 4.06Å; L3-I65 HydrophobicContact CD1-CG2 4.42Å; L3-I65 HydrophobicContact CD2-CG2 3.5Å; L23-I65 HydrophobicContact CD2-CD1 4.05Å; L45-I65 HydrophobicContact CD1-CD1 4.11Å; L45-I65 HydrophobicContact CD1-CG1 3.57Å; L45-I65 HydrophobicContact CD2-CD1 3.71Å; L45-I65 HydrophobicContact CD2-CG1 3.6Å; L45-I65 HydrophobicContact CG-CD1 4.44Å; L45-I65 HydrophobicContact CG-CG1 4.21Å; I60-I65 HydrophobicContact CB-CD1 4.5Å; I60-I65 HydrophobicContact CG2-CB 3.56Å; I60-I65 HydrophobicContact CG2-CD1 4.07Å; I60-I65 HydrophobicContact CG2-CG1 4.31Å; I60-I65 HydrophobicContact CG2-CG2 3.79Å; I60-I65 PolarHBondContact O-N 3.44Å; L63-I65 HydrophobicContact CB-CD1 4.07Å; L63-I65 HydrophobicContact CB-CG1 3.93Å; L63-I65 HydrophobicContact CD1-CD1 4.38Å; L63-I65 PolarHBondContact O-N 3Å; I65-D69 WeakPolarHBondContact CA-OD2 3.36Å; I65-D69 HydrophobicContact CG2-CB 4.25Å; I65-I71 HydrophobicContact CD1-CD1 4.43Å; I65-I71 HydrophobicContact CG2-CD1 4.42Å | ||
| 66 | V | 83.1 | Confident | 83.2 | Confident | 91 Ų | 91 | 52.8 Ų | 52.8 | 55% | 0.552 | 30% | 0.296 | S | S | * | . | trans | -116.5 | 162.5 | -177.5 | -169.6 | 0 | 0 | 0 | 0 | 110.7 | M1 G68 D69 | M1-V66 VanDerWaalsContact SD-C 3.53Å; V66-G68 PolarHBondContact O-N 2.98Å; V66-D69 PolarHBondContact N-OD2 2.87Å; V66-D69 WeakPolarHBondContact O-CB 3.38Å; V66-D69 VanDerWaalsContact O-CG 3.27Å; V66-D69 PolarHBondContact O-N 2.74Å | ||
| 67 | N | 85.6 | Confident | 82.4 | Confident | 102 Ų | 102 | 54.5 Ų | 54.5 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 124.6 | 175.1 | -169.4 | 42.4 | 0 | 0 | 0 | 111.5 | M1 K2 | M1-N67 VanDerWaalsContact CG-CA 3.43Å; M1-N67 HydrophobicContact CG-CB 3.65Å; M1-N67 HydrophobicContact SD-CB 4.3Å; M1-N67 PolarHBondContact SD-N 3.04Å; K2-N67 PolarHBondContact N-OD1 3.12Å; K2-N67 PolarHBondContact O-OD1 3.14Å |
| 68 | G | 84.5 | Confident | 81.3 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | -9.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K2 R4 V66 | K2-G68 WeakPolarHBondContact O-CA 3.5Å; K2-G68 PolarHBondContact O-N 3.38Å; R4-G68 PolarHBondContact NE-O 2.55Å; R4-G68 PolarHBondContact NH2-O 2.85Å; V66-G68 PolarHBondContact O-N 2.98Å |
| 69 | D | 88.5 | Confident | 80 | Confident | 59 Ų | 59 | 51 Ų | 51 | 32% | 0.316 | 28% | 0.283 | S | S | . | . | trans | -61.9 | 150.5 | -177.4 | -77.8 | -6 | 0 | 0 | 0 | 113.3 | L3 R4 I65 V66 | L3-D69 HydrophobicContact CD2-CB 4.17Å; R4-D69 PolarHBondContact N-O 3.21Å; I65-D69 WeakPolarHBondContact CA-OD2 3.36Å; I65-D69 HydrophobicContact CG2-CB 4.25Å; V66-D69 PolarHBondContact N-OD2 2.87Å; V66-D69 WeakPolarHBondContact O-CB 3.38Å; V66-D69 VanDerWaalsContact O-CG 3.27Å; V66-D69 PolarHBondContact O-N 2.74Å | ||
| 70 | I | 89.2 | Confident | 78.6 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 119.3 | 175.1 | -58.9 | 174.1 | 0 | 0 | 0 | 108.7 | R4 K6 F11 Y72 | R4-I70 HydrophobicContact CB-CG1 4.13Å; R4-I70 CarbonylContact O-C 3.45Å; R4-I70 VanDerWaalsContact O-CA 3.3Å; R4-I70 WeakPolarHBondContact O-CA 3.2Å; K6-I70 HydrophobicContact CB-CG2 3.97Å; F11-I70 HydrophobicContact CE1-CG2 4.25Å; I70-Y72 HydrophobicContact CB-CE2 4.46Å; I70-Y72 HydrophobicContact CG2-CD2 4.43Å; I70-Y72 HydrophobicContact CG2-CE1 4.34Å; I70-Y72 HydrophobicContact CG2-CE2 4.04Å |
| 71 | I | 89.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 110.9 | 177.5 | -59 | -168.4 | 0 | 0 | 0 | 108.3 | L3 R4 L5 K6 I26 I43 L45 I65 | L3-I71 HydrophobicContact CB-CD1 4.28Å; L3-I71 HydrophobicContact CD1-CD1 3.75Å; L3-I71 HydrophobicContact CD2-CD1 4.2Å; L3-I71 HydrophobicContact CG-CD1 4.3Å; R4-I71 PolarHBondContact O-N 2.84Å; L5-I71 CarbonylContact C-O 3.46Å; L5-I71 WeakPolarHBondContact CA-O 3.37Å; L5-I71 HydrophobicContact CD2-CB 3.75Å; L5-I71 HydrophobicContact CD2-CD1 4.19Å; L5-I71 HydrophobicContact CD2-CG1 4.35Å; L5-I71 HydrophobicContact CD2-CG2 4.07Å; K6-I71 PolarHBondContact N-O 2.77Å; I26-I71 HydrophobicContact CD1-CD1 3.73Å; I26-I71 HydrophobicContact CG2-CD1 4.26Å; I26-I71 HydrophobicContact CG2-CG2 4.29Å; I43-I71 HydrophobicContact CB-CG2 4.42Å; I43-I71 HydrophobicContact CG2-CG2 3.2Å; L45-I71 HydrophobicContact CD2-CG1 4.06Å; I65-I71 HydrophobicContact CD1-CD1 4.43Å; I65-I71 HydrophobicContact CG2-CD1 4.42Å |
| 72 | Y | 88.8 | Confident | 76.4 | Confident | 66 Ų | 66 | 49.4 Ų | 49.4 | 26% | 0.259 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 123 | 177.2 | -61.8 | -91.7 | 0 | 0 | 0 | 110.2 | K6 I43 S44 A47 I70 | K6-Y72 HydrophobicContact CB-CD1 4.36Å; K6-Y72 HydrophobicContact CD-CD1 3.74Å; K6-Y72 HydrophobicContact CD-CE1 3.55Å; K6-Y72 HydrophobicContact CG-CD1 4.49Å; I43-Y72 CarbonylContact C-O 3.52Å; I43-Y72 WeakPolarHBondContact CA-O 3.15Å; S44-Y72 PolarHBondContact N-O 2.86Å; S44-Y72 WeakPolarHBondContact O-CB 3.44Å; S44-Y72 PolarHBondContact O-N 2.78Å; A47-Y72 HydrophobicContact CB-CD1 3.81Å; A47-Y72 HydrophobicContact CB-CD2 3.89Å; A47-Y72 HydrophobicContact CB-CE1 4.07Å; A47-Y72 HydrophobicContact CB-CE2 4.16Å; A47-Y72 HydrophobicContact CB-CG 3.71Å; I70-Y72 HydrophobicContact CB-CE2 4.46Å; I70-Y72 HydrophobicContact CG2-CD2 4.43Å; I70-Y72 HydrophobicContact CG2-CE1 4.34Å; I70-Y72 HydrophobicContact CG2-CE2 4.04Å |
| 73 | I | 86.9 | Confident | 75.4 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 139.8 | 177.5 | -65.1 | 160.6 | 0 | 0 | 0 | 108.6 | L5 K6 F7 A30 F34 L36 V41 Q42 | L5-I73 HydrophobicContact CB-CD1 3.66Å; L5-I73 HydrophobicContact CD1-CD1 4.07Å; L5-I73 HydrophobicContact CD2-CD1 4.3Å; L5-I73 HydrophobicContact CG-CD1 4.21Å; K6-I73 PolarHBondContact O-N 3.31Å; F7-I73 HydrophobicContact CB-CB 4.19Å; F7-I73 HydrophobicContact CB-CG2 4.47Å; F7-I73 HydrophobicContact CD2-CB 4.13Å; F7-I73 HydrophobicContact CD2-CG2 3.79Å; F7-I73 WeakPolarHBondContact CD2-O 3.36Å; F7-I73 HydrophobicContact CG-CG2 4.46Å; A30-I73 HydrophobicContact CB-CD1 3.51Å; A30-I73 HydrophobicContact CB-CG1 4.16Å; A30-I73 HydrophobicContact CB-CG2 4.35Å; F34-I73 HydrophobicContact CD2-CD1 3.71Å; F34-I73 HydrophobicContact CE2-CD1 3.24Å; F34-I73 HydrophobicContact CZ-CD1 4.21Å; L36-I73 HydrophobicContact CD1-CG2 3.93Å; V41-I73 HydrophobicContact CG1-CG2 4.01Å; Q42-I73 CarbonylContact O-C 3.46Å; Q42-I73 WeakPolarHBondContact O-CA 3.31Å |
| 74 | R | 82.9 | Confident | 74.6 | Confident | 104 Ų | 104 | 47.8 Ų | 47.8 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 143.4 | 176.4 | -178.1 | 179.2 | -174.7 | 176.2 | 6.6 | 109.4 | Q42 Y50 | Q42-R74 HydrophobicContact CB-CB 4.18Å; Q42-R74 PolarHBondContact N-O 3.18Å; Q42-R74 PolarHBondContact O-N 3.17Å; Y50-R74 HydrophobicContact CD1-CB 3.89Å; Y50-R74 HydrophobicContact CE1-CB 3.46Å; Y50-R74 VanDerWaalsContact CE1-CB 3.46Å; Y50-R74 HydrophobicContact CE1-CG 4.33Å |
| 75 | S | 78.6 | Confident | 73.7 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 136.6 | 169 | -172.1 | 0 | 0 | 0 | 0 | 111 | N40 E77 D81 | N40-S75 CarbonylContact O-C 3.57Å; N40-S75 WeakPolarHBondContact O-CA 3.23Å; S75-E77 PolarHBondContact OG-N 3.45Å; S75-E77 PolarHBondContact OG-O 2.91Å; S75-D81 WeakPolarHBondContact CB-OD1 3.46Å |
| 76 | L | 70.7 | Confident | 72.8 | Confident | 57 Ų | 57 | 46.7 Ų | 46.7 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -71.2 | -40.3 | 167.4 | -73.3 | 174 | 0 | 0 | 0 | 110.5 | N40 Q42 K78 | N40-L76 HydrophobicContact CB-CB 4.09Å; N40-L76 WeakPolarHBondContact O-CB 3.42Å; N40-L76 PolarHBondContact O-N 3.14Å; Q42-L76 HydrophobicContact CG-CD1 4.29Å; Q42-L76 HydrophobicContact CG-CD2 3.95Å; Q42-L76 HydrophobicContact CG-CG 3.9Å; L76-K78 PolarHBondContact O-N 3.35Å |
| 77 | E | 64.1 | Low | 72 | Confident | 52 Ų | 52 | 46.3 Ų | 46.3 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | trans | -83.2 | 97.5 | 170.5 | -87 | -173.8 | -143.1 | 0 | 0 | 108.8 | K37 N40 S75 L79 D80 | K37-E77 IonicContact NZ-OE1 3.38Å; K37-E77 PolarHBondContact NZ-OE1 2.81Å; K37-E77 IonicContact NZ-OE2 2.73Å; N40-E77 HydrophobicContact CB-CB 4.26Å; N40-E77 WeakPolarHBondContact ND2-CB 3.36Å; N40-E77 WeakPolarHBondContact ND2-CG 3.31Å; N40-E77 PolarHBondContact ND2-OE1 2.75Å; S75-E77 PolarHBondContact OG-N 3.45Å; S75-E77 PolarHBondContact OG-O 2.91Å; E77-L79 HydrophobicContact CB-CB 4.49Å; E77-L79 PolarHBondContact O-N 2.81Å; E77-D80 PolarHBondContact O-N 2.98Å | ||
| 78 | K | 60.7 | Low | 71.1 | Confident | 60 Ų | 60 | 45.6 Ų | 45.6 | 26% | 0.261 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -51.9 | -20.1 | 164.9 | -78.6 | 175.3 | 167.8 | -162 | 0 | 112.4 | L76 D80 D81 I82 A289 N292 | L76-K78 PolarHBondContact O-N 3.35Å; K78-D80 VanDerWaalsContact C-N 3.28Å; K78-D80 PolarHBondContact O-N 3.47Å; K78-D81 WeakPolarHBondContact O-CB 3.32Å; K78-D81 PolarHBondContact O-N 3.16Å; K78-I82 HydrophobicContact CB-CD1 4.39Å; K78-I82 WeakPolarHBondContact O-CB 3.42Å; K78-I82 WeakPolarHBondContact O-CD1 3.4Å; K78-I82 WeakPolarHBondContact O-CG1 3.17Å; K78-I82 PolarHBondContact O-N 3.02Å; K78-A289 HydrophobicContact CB-CB 3.45Å; K78-A289 VanDerWaalsContact CB-CB 3.45Å; K78-A289 VanDerWaalsContact CD-CA 3.41Å; K78-A289 HydrophobicContact CD-CB 3.29Å; K78-A289 HydrophobicContact CG-CB 4.02Å; K78-N292 PolarHBondContact NZ-ND2 3.25Å |
| 79 | L | 55.2 | Low | 70.3 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 39% | 0.387 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.2 | -36.4 | 173.1 | -70.3 | 176.6 | 0 | 0 | 0 | 112.7 | E77 I82 K83 I286 | E77-L79 HydrophobicContact CB-CB 4.49Å; E77-L79 PolarHBondContact O-N 2.81Å; L79-I82 WeakPolarHBondContact O-CB 3.46Å; L79-I82 PolarHBondContact O-N 2.96Å; L79-K83 PolarHBondContact O-N 3.23Å; L79-I286 HydrophobicContact CD2-CD1 3.85Å; L79-I286 HydrophobicContact CD2-CG1 3.87Å; L79-I286 HydrophobicContact CD2-CG2 4.06Å |
| 80 | D | 53.4 | Low | 69.6 | Low | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.9 | -37.4 | 177.2 | -72.5 | -21.9 | 0 | 0 | 0 | 110.8 | L36 K37 E77 K78 I82 K83 Q84 | L36-D80 HydrophobicContact CD2-CB 3.65Å; K37-D80 PolarHBondContact N-OD2 2.89Å; E77-D80 PolarHBondContact O-N 2.98Å; K78-D80 VanDerWaalsContact C-N 3.28Å; K78-D80 PolarHBondContact O-N 3.47Å; D80-I82 PolarHBondContact O-N 3.04Å; D80-K83 PolarHBondContact O-N 2.83Å; D80-K83 IonicContact OD1-NZ 3.68Å; D80-K83 PolarHBondContact OD1-NZ 3.17Å; D80-Q84 PolarHBondContact O-N 3.38Å |
| 81 | D | 57.9 | Low | 68.9 | Low | 38 Ų | 38 | 43.2 Ų | 43.2 | 20% | 0.203 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.8 | -36.4 | 169.3 | -57 | -23.1 | 0 | 0 | 0 | 111.2 | F7 S75 K78 Q84 S85 | F7-D81 WeakPolarHBondContact CZ-OD1 3.49Å; S75-D81 WeakPolarHBondContact CB-OD1 3.46Å; K78-D81 WeakPolarHBondContact O-CB 3.32Å; K78-D81 PolarHBondContact O-N 3.16Å; D81-Q84 PolarHBondContact O-N 3.28Å; D81-S85 WeakPolarHBondContact O-CB 3.12Å; D81-S85 PolarHBondContact O-N 2.91Å |
| 82 | I | 59.8 | Low | 68.2 | Low | 9 Ų | 9 | 45.9 Ų | 45.9 | 5% | 0.046 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.8 | -36.1 | -177 | -69.3 | 158.9 | 0 | 0 | 0 | 111.6 | K78 L79 D80 Q84 S85 L86 T282 R285 I286 | K78-I82 HydrophobicContact CB-CD1 4.39Å; K78-I82 WeakPolarHBondContact O-CB 3.42Å; K78-I82 WeakPolarHBondContact O-CD1 3.4Å; K78-I82 WeakPolarHBondContact O-CG1 3.17Å; K78-I82 PolarHBondContact O-N 3.02Å; L79-I82 WeakPolarHBondContact O-CB 3.46Å; L79-I82 PolarHBondContact O-N 2.96Å; D80-I82 PolarHBondContact O-N 3.04Å; I82-Q84 VanDerWaalsContact C-N 3.32Å; I82-Q84 PolarHBondContact O-N 3.16Å; I82-S85 WeakPolarHBondContact O-CB 3.37Å; I82-S85 PolarHBondContact O-N 3.19Å; I82-L86 HydrophobicContact CG2-CD1 4.49Å; I82-L86 WeakPolarHBondContact O-CG 3.25Å; I82-L86 PolarHBondContact O-N 2.94Å; I82-T282 HydrophobicContact CG2-CG2 3.46Å; I82-T282 VanDerWaalsContact CG2-CG2 3.46Å; I82-R285 HydrophobicContact CD1-CB 3.95Å; I82-R285 HydrophobicContact CG1-CB 4.02Å; I82-I286 HydrophobicContact CB-CG1 4.43Å; I82-I286 HydrophobicContact CD1-CB 4.17Å; I82-I286 HydrophobicContact CD1-CD1 4.49Å; I82-I286 HydrophobicContact CD1-CG1 3.34Å; I82-I286 HydrophobicContact CG1-CG1 4.29Å; I82-I286 HydrophobicContact CG2-CD1 4.02Å; I82-I286 HydrophobicContact CG2-CG1 3.86Å |
| 83 | K | 60.4 | Low | 67.7 | Low | 111 Ų | 111 | 45 Ų | 45 | 48% | 0.483 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.1 | -45 | 170.3 | -73 | 174.4 | -172.6 | 158.4 | 0 | 111.1 | L79 D80 S85 L86 E87 | L79-K83 PolarHBondContact O-N 3.23Å; D80-K83 PolarHBondContact O-N 2.83Å; D80-K83 IonicContact OD1-NZ 3.68Å; D80-K83 PolarHBondContact OD1-NZ 3.17Å; K83-S85 VanDerWaalsContact C-N 3.34Å; K83-L86 PolarHBondContact O-N 3.09Å; K83-E87 PolarHBondContact O-N 2.72Å |
| 84 | Q | 61.5 | Low | 67.4 | Low | 23 Ų | 23 | 44.5 Ų | 44.5 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 174.8 | -68.3 | -163.3 | 19.8 | 0 | 0 | 112.1 | F34 D80 D81 I82 L86 E87 M88 | F34-Q84 PolarHBondContact O-NE2 2.83Å; D80-Q84 PolarHBondContact O-N 3.38Å; D81-Q84 PolarHBondContact O-N 3.28Å; I82-Q84 VanDerWaalsContact C-N 3.32Å; I82-Q84 PolarHBondContact O-N 3.16Å; Q84-L86 VanDerWaalsContact C-N 3.32Å; Q84-L86 PolarHBondContact O-N 2.95Å; Q84-E87 PolarHBondContact O-N 3.14Å; Q84-M88 WeakPolarHBondContact O-CG 3.3Å; Q84-M88 PolarHBondContact O-N 2.88Å |
| 85 | S | 63.5 | Low | 67 | Low | 7 Ų | 7 | 43.3 Ų | 43.3 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.8 | -42.4 | 173.6 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | D81 I82 K83 M88 E89 R285 | D81-S85 WeakPolarHBondContact O-CB 3.12Å; D81-S85 PolarHBondContact O-N 2.91Å; I82-S85 WeakPolarHBondContact O-CB 3.37Å; I82-S85 PolarHBondContact O-N 3.19Å; K83-S85 VanDerWaalsContact C-N 3.34Å; S85-M88 PolarHBondContact O-N 3.16Å; S85-E89 WeakPolarHBondContact O-CG 3.21Å; S85-E89 PolarHBondContact O-N 3.41Å; S85-R285 PolarHBondContact OG-NH1 3.13Å |
| 86 | L | 64.2 | Low | 66.9 | Low | 30 Ų | 30 | 50 Ų | 50 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 178.1 | -77 | 166.7 | 0 | 0 | 0 | 111.8 | I82 K83 Q84 E89 L90 T282 | I82-L86 HydrophobicContact CG2-CD1 4.49Å; I82-L86 WeakPolarHBondContact O-CG 3.25Å; I82-L86 PolarHBondContact O-N 2.94Å; K83-L86 PolarHBondContact O-N 3.09Å; Q84-L86 VanDerWaalsContact C-N 3.32Å; Q84-L86 PolarHBondContact O-N 2.95Å; L86-E89 PolarHBondContact O-N 3.12Å; L86-L90 PolarHBondContact O-N 3.41Å; L86-T282 HydrophobicContact CD1-CG2 4.03Å; L86-T282 HydrophobicContact CD2-CG2 3.71Å; L86-T282 WeakPolarHBondContact CD2-OG1 3.02Å; L86-T282 HydrophobicContact CG-CG2 3.89Å |
| 87 | E | 66.1 | Low | 67.2 | Low | 84 Ų | 84 | 48.7 Ų | 48.7 | 39% | 0.393 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 172.6 | -68.6 | -169.6 | 154.9 | 0 | 0 | 111.4 | K83 Q84 E89 L90 T91 | K83-E87 PolarHBondContact O-N 2.72Å; Q84-E87 PolarHBondContact O-N 3.14Å; E87-E89 VanDerWaalsContact C-N 3.34Å; E87-E89 PolarHBondContact O-N 2.96Å; E87-L90 PolarHBondContact O-N 3.41Å; E87-L90 VanDerWaalsContact O-N 3.15Å; E87-T91 WeakPolarHBondContact O-CG2 3.27Å; E87-T91 PolarHBondContact O-N 2.83Å |
| 88 | M | 66.7 | Low | 67.8 | Low | 87 Ų | 87 | 46.3 Ų | 46.3 | 43% | 0.429 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 177.1 | -72.4 | -167.7 | -58.2 | 0 | 0 | 112.4 | Q84 S85 L90 T91 T92 | Q84-M88 WeakPolarHBondContact O-CG 3.3Å; Q84-M88 PolarHBondContact O-N 2.88Å; S85-M88 PolarHBondContact O-N 3.16Å; M88-L90 VanDerWaalsContact C-N 3.26Å; M88-L90 PolarHBondContact O-N 3.45Å; M88-T91 VanDerWaalsContact CA-OG1 3.28Å; M88-T91 WeakPolarHBondContact CA-OG1 3.31Å; M88-T91 PolarHBondContact O-N 3.04Å; M88-T91 VanDerWaalsContact O-N 3.13Å; M88-T91 PolarHBondContact O-OG1 3.02Å; M88-T92 PolarHBondContact O-N 3.3Å; M88-T92 PolarHBondContact O-OG1 2.91Å |
| 89 | E | 67.4 | Low | 68.2 | Low | 43 Ų | 43 | 45.6 Ų | 45.6 | 20% | 0.201 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.8 | -37 | 175.7 | -76.3 | -179.2 | -158.4 | 0 | 0 | 111.7 | S85 L86 E87 P93 R248 T282 | S85-E89 WeakPolarHBondContact O-CG 3.21Å; S85-E89 PolarHBondContact O-N 3.41Å; L86-E89 PolarHBondContact O-N 3.12Å; E87-E89 VanDerWaalsContact C-N 3.34Å; E87-E89 PolarHBondContact O-N 2.96Å; E89-P93 WeakPolarHBondContact O-CD 3.45Å; E89-R248 IonicContact OE2-CZ 3.14Å; E89-R248 IonicContact OE2-NE 2.68Å; E89-R248 PolarHBondContact OE2-NE 3.46Å; E89-R248 IonicContact OE2-NH2 2.82Å; E89-R248 PolarHBondContact OE2-NH2 3.27Å; E89-T282 PolarHBondContact OE1-OG1 3.36Å |
| 90 | L | 73.3 | Confident | 68.9 | Low | 19 Ų | 19 | 49.4 Ų | 49.4 | 10% | 0.099 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74.9 | -34.6 | 174.6 | -65.4 | 172 | 0 | 0 | 0 | 113.4 | L86 E87 M88 T92 P93 L212 R213 A216 E249 | L86-L90 PolarHBondContact O-N 3.41Å; E87-L90 PolarHBondContact O-N 3.41Å; E87-L90 VanDerWaalsContact O-N 3.15Å; M88-L90 VanDerWaalsContact C-N 3.26Å; M88-L90 PolarHBondContact O-N 3.45Å; L90-T92 VanDerWaalsContact C-N 3.33Å; L90-P93 WeakPolarHBondContact O-CD 3.5Å; L90-P93 WeakPolarHBondContact O-CG 3.45Å; L90-L212 HydrophobicContact CB-CD2 3.68Å; L90-L212 HydrophobicContact CB-CG 4.29Å; L90-R213 HydrophobicContact CD1-CB 4.19Å; L90-A216 HydrophobicContact CD1-CB 4.34Å; L90-E249 HydrophobicContact CD1-CG 4.25Å; L90-E249 HydrophobicContact CD2-CG 4.25Å; L90-E249 WeakPolarHBondContact CD2-OE1 3.36Å |
| 91 | T | 74.1 | Confident | 69.5 | Low | 25 Ų | 25 | 49.5 Ų | 49.5 | 15% | 0.153 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72 | -27.8 | 178.9 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | E87 M88 I94 F95 L212 | E87-T91 WeakPolarHBondContact O-CG2 3.27Å; E87-T91 PolarHBondContact O-N 2.83Å; M88-T91 VanDerWaalsContact CA-OG1 3.28Å; M88-T91 WeakPolarHBondContact CA-OG1 3.31Å; M88-T91 PolarHBondContact O-N 3.04Å; M88-T91 VanDerWaalsContact O-N 3.13Å; M88-T91 PolarHBondContact O-OG1 3.02Å; T91-I94 WeakPolarHBondContact O-CB 3.13Å; T91-I94 PolarHBondContact O-N 2.91Å; T91-F95 WeakPolarHBondContact O-CB 3.32Å; T91-F95 PolarHBondContact O-N 2.93Å; T91-L212 HydrophobicContact CG2-CD2 3.7Å |
| 92 | T | 75.3 | Confident | 69.4 | Low | 55 Ų | 55 | 51.8 Ų | 51.8 | 34% | 0.337 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.7 | -52 | -175.3 | -58.5 | 0 | 0 | 0 | 0 | 113.4 | M88 L90 I94 F95 R96 | M88-T92 PolarHBondContact O-N 3.3Å; M88-T92 PolarHBondContact O-OG1 2.91Å; L90-T92 VanDerWaalsContact C-N 3.33Å; T92-I94 VanDerWaalsContact C-N 3.29Å; T92-I94 PolarHBondContact O-N 3.37Å; T92-F95 WeakPolarHBondContact O-CB 3.47Å; T92-F95 PolarHBondContact O-N 3.4Å; T92-R96 WeakPolarHBondContact O-CG 3.31Å; T92-R96 PolarHBondContact O-N 3.13Å |
| 93 | P | 79 | Confident | 69.1 | Low | 48 Ų | 48 | 56.2 Ų | 56.2 | 31% | 0.312 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | 176.8 | 24.9 | -34.3 | 0 | 0 | 0 | 112.1 | E89 L90 F95 R96 L97 I119 | E89-P93 WeakPolarHBondContact O-CD 3.45Å; L90-P93 WeakPolarHBondContact O-CD 3.5Å; L90-P93 WeakPolarHBondContact O-CG 3.45Å; P93-F95 VanDerWaalsContact C-N 3.32Å; P93-F95 PolarHBondContact O-N 2.89Å; P93-R96 PolarHBondContact O-N 3.28Å; P93-L97 PolarHBondContact O-N 2.77Å; P93-I119 HydrophobicContact CB-CD1 4.4Å; P93-I119 HydrophobicContact CB-CG2 3.93Å; P93-I119 HydrophobicContact CG-CG2 3.98Å |
| 94 | I | 79.8 | Confident | 68.7 | Low | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 175.5 | -65.8 | 172.5 | 0 | 0 | 0 | 110.7 | T91 T92 L97 I98 I115 P116 I119 L205 Y209 L212 | T91-I94 WeakPolarHBondContact O-CB 3.13Å; T91-I94 PolarHBondContact O-N 2.91Å; T92-I94 VanDerWaalsContact C-N 3.29Å; T92-I94 PolarHBondContact O-N 3.37Å; I94-L97 PolarHBondContact O-N 3.48Å; I94-I98 HydrophobicContact CG2-CD1 3.59Å; I94-I98 HydrophobicContact CG2-CG1 4.49Å; I94-I98 WeakPolarHBondContact O-CB 3.47Å; I94-I98 WeakPolarHBondContact O-CG1 3.25Å; I94-I98 PolarHBondContact O-N 3.29Å; I94-I115 HydrophobicContact CG2-CG2 3.93Å; I94-P116 HydrophobicContact CD1-CB 4.32Å; I94-P116 HydrophobicContact CD1-CG 4.25Å; I94-I119 HydrophobicContact CB-CD1 4Å; I94-I119 HydrophobicContact CG1-CD1 3.44Å; I94-I119 VanDerWaalsContact CG1-CD1 3.44Å; I94-L205 HydrophobicContact CB-CD1 4.48Å; I94-L205 HydrophobicContact CG2-CD1 4.13Å; I94-L205 HydrophobicContact CG2-CD2 3.77Å; I94-Y209 HydrophobicContact CG2-CE2 3.84Å; I94-L212 HydrophobicContact CD1-CD1 3.61Å; I94-L212 HydrophobicContact CD1-CD2 3.57Å; I94-L212 HydrophobicContact CD1-CG 4.17Å |
| 95 | F | 74.6 | Confident | 68.5 | Low | 79 Ų | 79 | 63.3 Ų | 63.3 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 177.5 | -171.4 | -116.9 | 0 | 0 | 0 | 111.9 | T91 T92 P93 L97 I98 N99 L205 | T91-F95 WeakPolarHBondContact O-CB 3.32Å; T91-F95 PolarHBondContact O-N 2.93Å; T92-F95 WeakPolarHBondContact O-CB 3.47Å; T92-F95 PolarHBondContact O-N 3.4Å; P93-F95 VanDerWaalsContact C-N 3.32Å; P93-F95 PolarHBondContact O-N 2.89Å; F95-L97 VanDerWaalsContact C-N 3.29Å; F95-L97 PolarHBondContact O-N 2.85Å; F95-I98 PolarHBondContact O-N 3.44Å; F95-N99 VanDerWaalsContact CD1-ND2 3.25Å; F95-N99 WeakPolarHBondContact CD1-ND2 3.4Å; F95-N99 WeakPolarHBondContact CE1-ND2 3.41Å; F95-N99 WeakPolarHBondContact CE2-ND2 3.39Å; F95-N99 WeakPolarHBondContact CZ-ND2 3.41Å; F95-N99 WeakPolarHBondContact O-CB 3.21Å; F95-N99 PolarHBondContact O-N 3.05Å; F95-N99 PolarHBondContact O-ND2 3.41Å; F95-L205 VanDerWaalsContact CA-CD1 3.46Å; F95-L205 HydrophobicContact CB-CD1 3.43Å; F95-L205 VanDerWaalsContact CB-CD1 3.43Å; F95-L205 HydrophobicContact CD2-CD1 3.71Å; F95-L205 HydrophobicContact CD2-CG 4.26Å; F95-L205 HydrophobicContact CG-CD1 4.04Å |
| 96 | R | 76.8 | Confident | 68.5 | Low | 142 Ų | 142 | 67.8 Ų | 67.8 | 54% | 0.536 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 178 | -69.6 | 177.7 | -173.2 | 160.6 | 2.1 | 110.4 | T92 P93 H100 | T92-R96 WeakPolarHBondContact O-CG 3.31Å; T92-R96 PolarHBondContact O-N 3.13Å; P93-R96 PolarHBondContact O-N 3.28Å; R96-H100 PolarHBondContact O-CD2 3.5Å; R96-H100 PolarHBondContact O-N 3.08Å |
| 97 | L | 78.4 | Confident | 68.8 | Low | 30 Ų | 30 | 67.7 Ų | 67.7 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.7 | -47.4 | 179.7 | -167.8 | 60 | 0 | 0 | 0 | 112.2 | P93 I94 F95 N99 H100 I101 I115 Y118 I119 I132 | P93-L97 PolarHBondContact O-N 2.77Å; I94-L97 PolarHBondContact O-N 3.48Å; F95-L97 VanDerWaalsContact C-N 3.29Å; F95-L97 PolarHBondContact O-N 2.85Å; L97-N99 VanDerWaalsContact C-N 3.33Å; L97-N99 PolarHBondContact O-N 3.31Å; L97-H100 PolarHBondContact O-N 2.85Å; L97-I101 HydrophobicContact CG-CD1 4.12Å; L97-I101 VanDerWaalsContact O-CD1 3.31Å; L97-I101 WeakPolarHBondContact O-CD1 3.04Å; L97-I101 VanDerWaalsContact O-CG1 3.32Å; L97-I101 WeakPolarHBondContact O-CG1 3.48Å; L97-I101 PolarHBondContact O-N 3.13Å; L97-I115 HydrophobicContact CD2-CG2 4.25Å; L97-Y118 HydrophobicContact CD2-CD1 3.74Å; L97-Y118 HydrophobicContact CD2-CE1 4.14Å; L97-I119 HydrophobicContact CB-CD1 4.19Å; L97-I119 HydrophobicContact CD2-CD1 3.83Å; L97-I119 HydrophobicContact CD2-CG1 3.9Å; L97-I132 HydrophobicContact CD1-CG2 4.22Å; L97-I132 HydrophobicContact CD2-CG2 4.22Å; L97-I132 HydrophobicContact CG-CG2 4.41Å |
| 98 | I | 75.4 | Confident | 69.4 | Low | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.015 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 179 | -76 | 166 | 0 | 0 | 0 | 112.2 | I94 F95 H100 I101 I115 V202 L205 Y209 | I94-I98 HydrophobicContact CG2-CD1 3.59Å; I94-I98 HydrophobicContact CG2-CG1 4.49Å; I94-I98 WeakPolarHBondContact O-CB 3.47Å; I94-I98 WeakPolarHBondContact O-CG1 3.25Å; I94-I98 PolarHBondContact O-N 3.29Å; F95-I98 PolarHBondContact O-N 3.44Å; I98-H100 VanDerWaalsContact C-N 3.27Å; I98-H100 PolarHBondContact O-N 3.01Å; I98-I101 PolarHBondContact O-N 2.88Å; I98-I101 VanDerWaalsContact O-N 3.12Å; I98-I115 HydrophobicContact CD1-CD1 4.04Å; I98-I115 HydrophobicContact CD1-CG2 4.21Å; I98-I115 HydrophobicContact CG1-CD1 3.6Å; I98-I115 HydrophobicContact CG1-CG2 4.19Å; I98-V202 HydrophobicContact CG2-CG1 3.6Å; I98-L205 HydrophobicContact CD1-CD2 3.65Å; I98-Y209 HydrophobicContact CD1-CE2 4.21Å |
| 99 | N | 69.3 | Low | 70.1 | Confident | 45 Ų | 45 | 62.5 Ų | 62.5 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.2 | -32.5 | 178.1 | -71.5 | -13.3 | 0 | 0 | 0 | 112.1 | F95 L97 I101 T102 | F95-N99 VanDerWaalsContact CD1-ND2 3.25Å; F95-N99 WeakPolarHBondContact CD1-ND2 3.4Å; F95-N99 WeakPolarHBondContact CE1-ND2 3.41Å; F95-N99 WeakPolarHBondContact CE2-ND2 3.39Å; F95-N99 WeakPolarHBondContact CZ-ND2 3.41Å; F95-N99 WeakPolarHBondContact O-CB 3.21Å; F95-N99 PolarHBondContact O-N 3.05Å; F95-N99 PolarHBondContact O-ND2 3.41Å; L97-N99 VanDerWaalsContact C-N 3.33Å; L97-N99 PolarHBondContact O-N 3.31Å; N99-I101 VanDerWaalsContact C-N 3.27Å; N99-I101 PolarHBondContact O-N 3.35Å; N99-T102 WeakPolarHBondContact O-CB 3.5Å; N99-T102 VanDerWaalsContact O-CG2 3.25Å; N99-T102 WeakPolarHBondContact O-CG2 2.98Å; N99-T102 PolarHBondContact O-N 3.36Å; N99-T102 PolarHBondContact O-OG1 2.95Å |
| 100 | H | 69.6 | Low | 71 | Confident | 153 Ų | 153 | 61 Ų | 61 | 71% | 0.708 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -69.6 | -24.9 | 173.8 | -70.8 | -41.6 | 0 | 0 | 0 | 113.2 | R96 L97 I98 T102 | R96-H100 PolarHBondContact O-CD2 3.5Å; R96-H100 PolarHBondContact O-N 3.08Å; L97-H100 PolarHBondContact O-N 2.85Å; I98-H100 VanDerWaalsContact C-N 3.27Å; I98-H100 PolarHBondContact O-N 3.01Å; H100-T102 VanDerWaalsContact C-N 3.26Å; H100-T102 PolarHBondContact O-N 3.5Å |
| 101 | I | 67 | Low | 71.5 | Confident | 9 Ų | 9 | 60.2 Ų | 60.2 | 5% | 0.046 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -4 | -179.2 | -61.9 | 155.2 | 0 | 0 | 0 | 112.2 | L97 I98 N99 N103 Y107 Y111 I115 I132 N133 Y136 | L97-I101 HydrophobicContact CG-CD1 4.12Å; L97-I101 VanDerWaalsContact O-CD1 3.31Å; L97-I101 WeakPolarHBondContact O-CD1 3.04Å; L97-I101 VanDerWaalsContact O-CG1 3.32Å; L97-I101 WeakPolarHBondContact O-CG1 3.48Å; L97-I101 PolarHBondContact O-N 3.13Å; I98-I101 PolarHBondContact O-N 2.88Å; I98-I101 VanDerWaalsContact O-N 3.12Å; N99-I101 VanDerWaalsContact C-N 3.27Å; N99-I101 PolarHBondContact O-N 3.35Å; I101-N103 PolarHBondContact O-N 3.07Å; I101-Y107 HydrophobicContact CG2-CE1 3.69Å; I101-Y111 HydrophobicContact CD1-CE1 4.23Å; I101-Y111 VanDerWaalsContact CD1-OH 3.28Å; I101-Y111 WeakPolarHBondContact CD1-OH 3.23Å; I101-Y111 HydrophobicContact CG2-CE1 4.23Å; I101-Y111 WeakPolarHBondContact CG2-OH 3.22Å; I101-I115 HydrophobicContact CD1-CD1 4.29Å; I101-I132 HydrophobicContact CD1-CG2 4.37Å; I101-N133 WeakPolarHBondContact CG1-OD1 3.13Å; I101-Y136 HydrophobicContact CG2-CD2 3.62Å; I101-Y136 HydrophobicContact CG2-CE2 4.08Å; I101-Y136 HydrophobicContact CG2-CG 4.09Å |
| 102 | T | 55.1 | Low | 72 | Confident | 85 Ų | 85 | 59.4 Ų | 59.4 | 52% | 0.521 | 30% | 0.302 | S | S | . | . | trans | -54.8 | 90 | -168.7 | 45.6 | 0 | 0 | 0 | 0 | 115.1 | N99 H100 | N99-T102 WeakPolarHBondContact O-CB 3.5Å; N99-T102 VanDerWaalsContact O-CG2 3.25Å; N99-T102 WeakPolarHBondContact O-CG2 2.98Å; N99-T102 PolarHBondContact O-N 3.36Å; N99-T102 PolarHBondContact O-OG1 2.95Å; H100-T102 VanDerWaalsContact C-N 3.26Å; H100-T102 PolarHBondContact O-N 3.5Å | ||
| 103 | N | 54.6 | Low | 72.7 | Confident | 103 Ų | 103 | 56.8 Ų | 56.8 | 55% | 0.551 | 29% | 0.286 | S | S | * | . | trans | -129.8 | 160.2 | 161.3 | -83.6 | -38.5 | 0 | 0 | 0 | 109.4 | I101 Q105 Y136 | I101-N103 PolarHBondContact O-N 3.07Å; N103-Q105 VanDerWaalsContact C-N 3.29Å; N103-Q105 PolarHBondContact O-N 3.43Å; N103-Y136 HydrophobicContact CB-CE1 3.82Å; N103-Y136 PolarHBondContact O-OH 3.28Å | ||
| 104 | F | 51 | Low | 73.2 | Confident | 167 Ų | 167 | 54.5 Ų | 54.5 | 73% | 0.732 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -75.8 | 20.5 | -156.8 | -72.4 | -99.9 | 0 | 0 | 0 | 117.2 | ||
| 105 | Q | 57.2 | Low | 73.6 | Confident | 116 Ų | 116 | 54.5 Ų | 54.5 | 54% | 0.542 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -111.9 | 150.7 | -174.1 | -65.7 | -154.5 | -9.6 | 0 | 0 | 115.5 | N103 Y107 Y136 | N103-Q105 VanDerWaalsContact C-N 3.29Å; N103-Q105 PolarHBondContact O-N 3.43Å; Q105-Y107 PolarHBondContact O-N 2.8Å; Q105-Y136 WeakPolarHBondContact CB-OH 3.35Å; Q105-Y136 PolarHBondContact N-OH 3.13Å |
| 106 | P | 63.6 | Low | 74.3 | Confident | 101 Ų | 101 | 50.7 Ų | 50.7 | 66% | 0.656 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 122.5 | 176 | 26.5 | -34.4 | 0 | 0 | 0 | 110.6 | ||
| 107 | Y | 71.1 | Confident | 75 | Confident | 28 Ų | 28 | 44 Ų | 44 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 134.4 | 173.9 | -61.2 | -77.7 | 0 | 0 | 0 | 110.7 | I101 Q105 Y111 L112 Y136 V202 | I101-Y107 HydrophobicContact CG2-CE1 3.69Å; Q105-Y107 PolarHBondContact O-N 2.8Å; Y107-Y111 AromaticContact CD1-CD1 3.42Å; Y107-Y111 HydrophobicContact CD1-CD1 3.42Å; Y107-Y111 VanDerWaalsContact CD1-CD1 3.42Å; Y107-Y111 AromaticContact CD1-CE1 3.54Å; Y107-Y111 HydrophobicContact CD1-CE1 3.54Å; Y107-Y111 HydrophobicContact CD1-CG 4.49Å; Y107-Y111 HydrophobicContact CE1-CD1 4.11Å; Y107-Y111 AromaticContact CE1-CE1 3.74Å; Y107-Y111 HydrophobicContact CE1-CE1 3.74Å; Y107-Y111 HydrophobicContact CG-CD1 4.28Å; Y107-L112 HydrophobicContact CG-CD2 4.26Å; Y107-Y136 AromaticContact CD1-CD2 3.82Å; Y107-Y136 HydrophobicContact CD1-CD2 3.82Å; Y107-Y136 AromaticContact CD1-CE2 3.66Å; Y107-Y136 HydrophobicContact CD1-CE2 3.66Å; Y107-Y136 AromaticContact CE1-CD2 3.48Å; Y107-Y136 HydrophobicContact CE1-CD2 3.48Å; Y107-Y136 VanDerWaalsContact CE1-CD2 3.48Å; Y107-Y136 AromaticContact CE1-CE2 3.2Å; Y107-Y136 HydrophobicContact CE1-CE2 3.2Å; Y107-Y136 AromaticContact CZ-CE2 3.85Å; Y107-V202 HydrophobicContact CE2-CG2 4.44Å |
| 108 | S | 78 | Confident | 75.6 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 28% | 0.28 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -67.8 | 149.3 | 169 | 75.8 | 0 | 0 | 0 | 0 | 110.2 | I110 Y111 L112 | S108-I110 PolarHBondContact O-N 3.22Å; S108-Y111 WeakPolarHBondContact O-CB 3.39Å; S108-Y111 PolarHBondContact O-N 3.2Å; S108-Y111 WeakPolarHBondContact OG-CB 3.47Å; S108-Y111 PolarHBondContact OG-N 3.49Å; S108-Y111 VanDerWaalsContact OG-N 3.12Å; S108-L112 PolarHBondContact O-N 2.97Å |
| 109 | S | 80.9 | Confident | 76.3 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.2 | -29.8 | 175.8 | 39.4 | 0 | 0 | 0 | 0 | 112.8 | M113 Q163 | S109-M113 WeakPolarHBondContact O-CG 3.42Å; S109-M113 PolarHBondContact O-N 3.2Å; S109-M113 VanDerWaalsContact O-N 3.07Å; S109-Q163 PolarHBondContact OG-NE2 3.47Å; S109-Q163 PolarHBondContact OG-OE1 3.2Å |
| 110 | I | 86.4 | Confident | 77.3 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.6 | -43.8 | 174 | -58.6 | 159.8 | 0 | 0 | 0 | 110 | S108 L112 M113 A114 S141 I143 L161 Q163 | S108-I110 PolarHBondContact O-N 3.22Å; I110-L112 VanDerWaalsContact C-N 3.34Å; I110-L112 PolarHBondContact O-N 2.83Å; I110-M113 CarbonylContact O-C 3.54Å; I110-M113 PolarHBondContact O-N 2.92Å; I110-M113 VanDerWaalsContact O-N 3.09Å; I110-A114 PolarHBondContact O-N 3.41Å; I110-S141 VanDerWaalsContact CD1-C 3.49Å; I110-S141 WeakPolarHBondContact CD1-O 3.33Å; I110-I143 HydrophobicContact CB-CD1 4.39Å; I110-I143 HydrophobicContact CG2-CB 4.27Å; I110-I143 HydrophobicContact CG2-CD1 3.81Å; I110-I143 HydrophobicContact CG2-CG1 3.88Å; I110-L161 HydrophobicContact CG2-CB 3.9Å; I110-Q163 HydrophobicContact CD1-CB 3.76Å; I110-Q163 HydrophobicContact CG1-CB 3.48Å; I110-Q163 VanDerWaalsContact CG1-CB 3.48Å |
| 111 | Y | 84.9 | Confident | 78.3 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 177.2 | -170.8 | -98.1 | 0 | 0 | 0 | 111.7 | I101 Y107 S108 M113 A114 I115 I132 Y136 I143 | I101-Y111 HydrophobicContact CD1-CE1 4.23Å; I101-Y111 VanDerWaalsContact CD1-OH 3.28Å; I101-Y111 WeakPolarHBondContact CD1-OH 3.23Å; I101-Y111 HydrophobicContact CG2-CE1 4.23Å; I101-Y111 WeakPolarHBondContact CG2-OH 3.22Å; Y107-Y111 AromaticContact CD1-CD1 3.42Å; Y107-Y111 HydrophobicContact CD1-CD1 3.42Å; Y107-Y111 VanDerWaalsContact CD1-CD1 3.42Å; Y107-Y111 AromaticContact CD1-CE1 3.54Å; Y107-Y111 HydrophobicContact CD1-CE1 3.54Å; Y107-Y111 HydrophobicContact CD1-CG 4.49Å; Y107-Y111 HydrophobicContact CE1-CD1 4.11Å; Y107-Y111 AromaticContact CE1-CE1 3.74Å; Y107-Y111 HydrophobicContact CE1-CE1 3.74Å; Y107-Y111 HydrophobicContact CG-CD1 4.28Å; S108-Y111 WeakPolarHBondContact O-CB 3.39Å; S108-Y111 PolarHBondContact O-N 3.2Å; S108-Y111 WeakPolarHBondContact OG-CB 3.47Å; S108-Y111 PolarHBondContact OG-N 3.49Å; S108-Y111 VanDerWaalsContact OG-N 3.12Å; Y111-M113 VanDerWaalsContact C-N 3.27Å; Y111-M113 PolarHBondContact O-N 3.34Å; Y111-A114 WeakPolarHBondContact O-CB 3.15Å; Y111-A114 PolarHBondContact O-N 3.32Å; Y111-I115 HydrophobicContact CD1-CD1 4.01Å; Y111-I115 HydrophobicContact CE1-CD1 3.77Å; Y111-I115 HydrophobicContact CE1-CG1 4.27Å; Y111-I115 PolarHBondContact O-N 3.4Å; Y111-I132 HydrophobicContact CE2-CG1 4.13Å; Y111-I132 WeakPolarHBondContact CE2-O 3.38Å; Y111-I132 PolarHBondContact OH-O 3.43Å; Y111-Y136 HydrophobicContact CE1-CD2 4.27Å; Y111-I143 HydrophobicContact CD2-CD1 3.98Å |
| 112 | L | 85 | Confident | 79.3 | Confident | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -33.9 | 173.8 | -65 | 174.1 | 0 | 0 | 0 | 112.3 | Y107 S108 I110 P116 L191 I197 Y209 | Y107-L112 HydrophobicContact CG-CD2 4.26Å; S108-L112 PolarHBondContact O-N 2.97Å; I110-L112 VanDerWaalsContact C-N 3.34Å; I110-L112 PolarHBondContact O-N 2.83Å; L112-P116 WeakPolarHBondContact O-CD 3.45Å; L112-L191 HydrophobicContact CB-CD1 3.98Å; L112-L191 HydrophobicContact CB-CD2 4.14Å; L112-L191 HydrophobicContact CD1-CD1 4.37Å; L112-I197 HydrophobicContact CD1-CD1 3.43Å; L112-I197 VanDerWaalsContact CD1-CD1 3.43Å; L112-Y209 WeakPolarHBondContact O-CE1 3.36Å; L112-Y209 PolarHBondContact O-OH 2.81Å |
| 113 | M | 88.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.5 | -25.6 | 173.7 | -69.9 | -63.3 | -62.9 | 0 | 0 | 113.2 | S109 I110 Y111 L161 T168 L185 L191 L215 | S109-M113 WeakPolarHBondContact O-CG 3.42Å; S109-M113 PolarHBondContact O-N 3.2Å; S109-M113 VanDerWaalsContact O-N 3.07Å; I110-M113 CarbonylContact O-C 3.54Å; I110-M113 PolarHBondContact O-N 2.92Å; I110-M113 VanDerWaalsContact O-N 3.09Å; Y111-M113 VanDerWaalsContact C-N 3.27Å; Y111-M113 PolarHBondContact O-N 3.34Å; M113-L161 HydrophobicContact CB-CD2 4.42Å; M113-T168 HydrophobicContact CB-CG2 4.05Å; M113-T168 HydrophobicContact CG-CG2 4.12Å; M113-L185 HydrophobicContact CE-CD1 3.67Å; M113-L191 HydrophobicContact CG-CD1 4.07Å; M113-L191 HydrophobicContact SD-CD1 4.22Å; M113-L191 HydrophobicContact SD-CD2 4.27Å; M113-L191 HydrophobicContact SD-CG 4.03Å; M113-L215 HydrophobicContact CE-CD1 3.73Å; M113-L215 HydrophobicContact CE-CD2 4.3Å; M113-L215 HydrophobicContact SD-CD2 4.48Å |
| 114 | A | 89.4 | Confident | 82 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.2 | -33 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I110 Y111 L117 Y118 I132 I143 L145 L161 | I110-A114 PolarHBondContact O-N 3.41Å; Y111-A114 WeakPolarHBondContact O-CB 3.15Å; Y111-A114 PolarHBondContact O-N 3.32Å; A114-L117 PolarHBondContact O-N 3.3Å; A114-Y118 WeakPolarHBondContact O-CB 3.44Å; A114-Y118 PolarHBondContact O-N 2.7Å; A114-I132 HydrophobicContact CB-CD1 4.26Å; A114-I143 HydrophobicContact CB-CD1 4.21Å; A114-I143 HydrophobicContact CB-CG2 4.35Å; A114-L145 HydrophobicContact CB-CD1 4.35Å; A114-L161 HydrophobicContact CB-CD2 4Å |
| 115 | I | 88.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -54.7 | -178.6 | -70.2 | 168.8 | 0 | 0 | 0 | 112.7 | I94 L97 I98 I101 Y111 L117 Y118 I119 I132 | I94-I115 HydrophobicContact CG2-CG2 3.93Å; L97-I115 HydrophobicContact CD2-CG2 4.25Å; I98-I115 HydrophobicContact CD1-CD1 4.04Å; I98-I115 HydrophobicContact CD1-CG2 4.21Å; I98-I115 HydrophobicContact CG1-CD1 3.6Å; I98-I115 HydrophobicContact CG1-CG2 4.19Å; I101-I115 HydrophobicContact CD1-CD1 4.29Å; Y111-I115 HydrophobicContact CD1-CD1 4.01Å; Y111-I115 HydrophobicContact CE1-CD1 3.77Å; Y111-I115 HydrophobicContact CE1-CG1 4.27Å; Y111-I115 PolarHBondContact O-N 3.4Å; I115-L117 VanDerWaalsContact C-N 3.31Å; I115-L117 PolarHBondContact O-N 3.22Å; I115-Y118 PolarHBondContact O-N 3.04Å; I115-I119 HydrophobicContact CG2-CD1 4.11Å; I115-I119 PolarHBondContact O-N 3.3Å; I115-I119 VanDerWaalsContact O-N 3.13Å; I115-I132 HydrophobicContact CB-CD1 4.35Å; I115-I132 HydrophobicContact CG1-CD1 3.74Å |
| 116 | P | 89.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.2 | -41.6 | 174.4 | -23.1 | 31.7 | 0 | 0 | 0 | 112.1 | I94 L112 Y118 I119 F120 Y209 L215 | I94-P116 HydrophobicContact CD1-CB 4.32Å; I94-P116 HydrophobicContact CD1-CG 4.25Å; L112-P116 WeakPolarHBondContact O-CD 3.45Å; P116-Y118 VanDerWaalsContact C-N 3.35Å; P116-Y118 PolarHBondContact O-N 3.27Å; P116-I119 PolarHBondContact O-N 3.2Å; P116-F120 HydrophobicContact CB-CD2 4.15Å; P116-F120 HydrophobicContact CB-CE2 3.5Å; P116-F120 HydrophobicContact CB-CZ 3.83Å; P116-F120 WeakPolarHBondContact O-CB 3.3Å; P116-F120 WeakPolarHBondContact O-CD1 3.23Å; P116-F120 WeakPolarHBondContact O-CD2 3.25Å; P116-F120 WeakPolarHBondContact O-CG 3.22Å; P116-F120 PolarHBondContact O-N 2.74Å; P116-Y209 HydrophobicContact CG-CD1 4.24Å; P116-Y209 HydrophobicContact CG-CE1 3.5Å; P116-Y209 VanDerWaalsContact CG-CE1 3.5Å; P116-L215 HydrophobicContact CB-CD2 4Å; P116-L215 HydrophobicContact CG-CD2 3.99Å |
| 117 | L | 92.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.6 | -47.2 | 178.5 | 174.6 | 65.7 | 0 | 0 | 0 | 111.7 | A114 I115 I119 F120 A121 L145 F159 L161 I170 I219 L223 I224 | A114-L117 PolarHBondContact O-N 3.3Å; I115-L117 VanDerWaalsContact C-N 3.31Å; I115-L117 PolarHBondContact O-N 3.22Å; L117-I119 PolarHBondContact O-N 3.18Å; L117-F120 PolarHBondContact O-N 2.97Å; L117-A121 WeakPolarHBondContact O-CB 3.24Å; L117-A121 PolarHBondContact O-N 2.73Å; L117-L145 HydrophobicContact CD2-CD1 4.32Å; L117-F159 HydrophobicContact CD1-CD1 4.18Å; L117-F159 HydrophobicContact CD1-CE1 4.39Å; L117-F159 HydrophobicContact CD2-CB 3.86Å; L117-F159 HydrophobicContact CD2-CD1 4.37Å; L117-F159 HydrophobicContact CD2-CG 4.17Å; L117-L161 HydrophobicContact CD2-CD1 3.41Å; L117-L161 VanDerWaalsContact CD2-CD1 3.41Å; L117-L161 HydrophobicContact CD2-CD2 3.77Å; L117-L161 HydrophobicContact CD2-CG 3.84Å; L117-I170 HydrophobicContact CD1-CG2 4.39Å; L117-I170 HydrophobicContact CD2-CG2 3.68Å; L117-I219 HydrophobicContact CB-CD1 4.45Å; L117-I219 HydrophobicContact CD1-CG2 3.51Å; L117-L223 HydrophobicContact CD1-CD2 4.29Å; L117-I224 HydrophobicContact CD1-CD1 4.29Å |
| 118 | Y | 91.4 | Very high | 87.1 | Confident | 25 Ų | 25 | 25.1 Ų | 25.1 | 10% | 0.098 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.1 | -50.1 | 178 | 178.5 | -86.9 | 0 | 0 | 0 | 111.1 | L97 A114 I115 P116 F120 A121 T122 N128 I132 F147 | L97-Y118 HydrophobicContact CD2-CD1 3.74Å; L97-Y118 HydrophobicContact CD2-CE1 4.14Å; A114-Y118 WeakPolarHBondContact O-CB 3.44Å; A114-Y118 PolarHBondContact O-N 2.7Å; I115-Y118 PolarHBondContact O-N 3.04Å; P116-Y118 VanDerWaalsContact C-N 3.35Å; P116-Y118 PolarHBondContact O-N 3.27Å; Y118-F120 PolarHBondContact O-N 2.77Å; Y118-A121 PolarHBondContact O-N 3.1Å; Y118-T122 HydrophobicContact CE1-CG2 4.23Å; Y118-T122 WeakPolarHBondContact O-CG2 3.47Å; Y118-T122 PolarHBondContact O-N 2.65Å; Y118-T122 PolarHBondContact O-OG1 3.4Å; Y118-N128 HydrophobicContact CE2-CB 3.66Å; Y118-N128 WeakPolarHBondContact OH-CB 3.47Å; Y118-N128 PolarHBondContact OH-ND2 2.73Å; Y118-I132 HydrophobicContact CD2-CB 4.13Å; Y118-I132 HydrophobicContact CD2-CD1 4.47Å; Y118-I132 HydrophobicContact CE2-CB 4.32Å; Y118-I132 HydrophobicContact CG-CB 4.46Å; Y118-I132 HydrophobicContact CG-CD1 4.18Å; Y118-F147 HydrophobicContact CD2-CE1 4.11Å; Y118-F147 AromaticContact CD2-CZ 3.73Å; Y118-F147 HydrophobicContact CD2-CZ 3.73Å; Y118-F147 HydrophobicContact CE2-CE1 4.28Å; Y118-F147 HydrophobicContact CE2-CZ 4.28Å; Y118-F147 HydrophobicContact CG-CZ 4.37Å |
| 119 | I | 89.3 | Confident | 87.2 | Confident | 18 Ų | 18 | 27.5 Ų | 27.5 | 9% | 0.092 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 179.7 | -70.8 | 163.6 | 0 | 0 | 0 | 111.2 | P93 I94 L97 I115 P116 L117 A121 T122 D123 | P93-I119 HydrophobicContact CB-CD1 4.4Å; P93-I119 HydrophobicContact CB-CG2 3.93Å; P93-I119 HydrophobicContact CG-CG2 3.98Å; I94-I119 HydrophobicContact CB-CD1 4Å; I94-I119 HydrophobicContact CG1-CD1 3.44Å; I94-I119 VanDerWaalsContact CG1-CD1 3.44Å; L97-I119 HydrophobicContact CB-CD1 4.19Å; L97-I119 HydrophobicContact CD2-CD1 3.83Å; L97-I119 HydrophobicContact CD2-CG1 3.9Å; I115-I119 HydrophobicContact CG2-CD1 4.11Å; I115-I119 PolarHBondContact O-N 3.3Å; I115-I119 VanDerWaalsContact O-N 3.13Å; P116-I119 PolarHBondContact O-N 3.2Å; L117-I119 PolarHBondContact O-N 3.18Å; I119-A121 PolarHBondContact O-N 3.02Å; I119-T122 WeakPolarHBondContact CA-OG1 3.33Å; I119-T122 PolarHBondContact O-N 3.07Å; I119-T122 PolarHBondContact O-OG1 3.06Å; I119-D123 WeakPolarHBondContact O-CB 3.49Å; I119-D123 PolarHBondContact O-N 3.08Å |
| 120 | F | 90.1 | Very high | 87 | Confident | 3 Ų | 3 | 28 Ų | 28 | 1% | 0.013 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.4 | -32.6 | 179.8 | -58.9 | -25.4 | 0 | 0 | 0 | 112.7 | P116 L117 Y118 K124 L212 L215 A216 I219 K220 I224 | P116-F120 HydrophobicContact CB-CD2 4.15Å; P116-F120 HydrophobicContact CB-CE2 3.5Å; P116-F120 HydrophobicContact CB-CZ 3.83Å; P116-F120 WeakPolarHBondContact O-CB 3.3Å; P116-F120 WeakPolarHBondContact O-CD1 3.23Å; P116-F120 WeakPolarHBondContact O-CD2 3.25Å; P116-F120 WeakPolarHBondContact O-CG 3.22Å; P116-F120 PolarHBondContact O-N 2.74Å; L117-F120 PolarHBondContact O-N 2.97Å; Y118-F120 PolarHBondContact O-N 2.77Å; F120-K124 WeakPolarHBondContact O-CG 3.29Å; F120-K124 PolarHBondContact O-N 2.89Å; F120-K124 VanDerWaalsContact O-N 3.13Å; F120-L212 HydrophobicContact CZ-CD1 4.21Å; F120-L215 HydrophobicContact CE2-CG 4.44Å; F120-A216 HydrophobicContact CD2-CB 4.43Å; F120-A216 HydrophobicContact CE1-CB 3.88Å; F120-A216 VanDerWaalsContact CE2-CA 3.43Å; F120-A216 HydrophobicContact CE2-CB 3.82Å; F120-A216 HydrophobicContact CZ-CB 3.5Å; F120-I219 HydrophobicContact CB-CG2 4.32Å; F120-I219 HydrophobicContact CD2-CB 4.02Å; F120-I219 HydrophobicContact CD2-CD1 4.03Å; F120-I219 HydrophobicContact CD2-CG2 3.99Å; F120-I219 HydrophobicContact CE2-CD1 4.19Å; F120-K220 HydrophobicContact CB-CG 3.98Å; F120-K220 HydrophobicContact CG-CG 4.33Å; F120-I224 HydrophobicContact CB-CD1 4.01Å |
| 121 | A | 90.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.2 | -47.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L117 Y118 I119 D123 K124 G125 L126 F147 F159 I224 | L117-A121 WeakPolarHBondContact O-CB 3.24Å; L117-A121 PolarHBondContact O-N 2.73Å; Y118-A121 PolarHBondContact O-N 3.1Å; I119-A121 PolarHBondContact O-N 3.02Å; A121-D123 VanDerWaalsContact C-N 3.33Å; A121-D123 PolarHBondContact O-N 3.42Å; A121-K124 CarbonylContact O-C 3.48Å; A121-K124 WeakPolarHBondContact O-CA 3.41Å; A121-K124 PolarHBondContact O-N 3.44Å; A121-G125 PolarHBondContact O-N 3.21Å; A121-L126 HydrophobicContact CB-CB 4.37Å; A121-L126 HydrophobicContact CB-CD1 3.97Å; A121-L126 WeakPolarHBondContact O-CB 3.13Å; A121-L126 PolarHBondContact O-N 3.37Å; A121-L126 VanDerWaalsContact O-N 3.13Å; A121-F147 HydrophobicContact CB-CD1 4.23Å; A121-F147 HydrophobicContact CB-CE1 3.81Å; A121-F147 HydrophobicContact CB-CE2 4.15Å; A121-F147 HydrophobicContact CB-CZ 3.77Å; A121-F159 HydrophobicContact CB-CE2 4.34Å; A121-I224 HydrophobicContact CB-CD1 4.3Å |
| 122 | T | 88.5 | Confident | 86.2 | Confident | 52 Ų | 52 | 30.4 Ų | 30.4 | 32% | 0.319 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.9 | -38.9 | 176.4 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | Y118 I119 K124 G125 F147 | Y118-T122 HydrophobicContact CE1-CG2 4.23Å; Y118-T122 WeakPolarHBondContact O-CG2 3.47Å; Y118-T122 PolarHBondContact O-N 2.65Å; Y118-T122 PolarHBondContact O-OG1 3.4Å; I119-T122 WeakPolarHBondContact CA-OG1 3.33Å; I119-T122 PolarHBondContact O-N 3.07Å; I119-T122 PolarHBondContact O-OG1 3.06Å; T122-K124 PolarHBondContact O-N 2.78Å; T122-G125 PolarHBondContact O-N 3.47Å; T122-F147 HydrophobicContact CG2-CE1 4.19Å |
| 123 | D | 83.7 | Confident | 85.6 | Confident | 83 Ų | 83 | 33 Ų | 33 | 44% | 0.444 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.2 | -26.5 | 175.2 | -173.7 | 55.1 | 0 | 0 | 0 | 112.1 | I119 A121 G125 K220 | I119-D123 WeakPolarHBondContact O-CB 3.49Å; I119-D123 PolarHBondContact O-N 3.08Å; A121-D123 VanDerWaalsContact C-N 3.33Å; A121-D123 PolarHBondContact O-N 3.42Å; D123-G125 VanDerWaalsContact C-N 3.27Å; D123-G125 PolarHBondContact O-N 3.25Å; D123-K220 WeakPolarHBondContact OD2-CE 3.15Å; D123-K220 IonicContact OD2-NZ 2.73Å; D123-K220 PolarHBondContact OD2-NZ 2.94Å |
| 124 | K | 83.6 | Confident | 84.8 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 6% | 0.057 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 7.6 | 173 | -74.7 | -71.5 | -174.6 | 167.8 | 0 | 113.7 | F120 A121 T122 I224 E225 L228 R240 T245 | F120-K124 WeakPolarHBondContact O-CG 3.29Å; F120-K124 PolarHBondContact O-N 2.89Å; F120-K124 VanDerWaalsContact O-N 3.13Å; A121-K124 CarbonylContact O-C 3.48Å; A121-K124 WeakPolarHBondContact O-CA 3.41Å; A121-K124 PolarHBondContact O-N 3.44Å; T122-K124 PolarHBondContact O-N 2.78Å; K124-I224 HydrophobicContact CB-CG2 3.86Å; K124-I224 HydrophobicContact CG-CG2 3.92Å; K124-E225 WeakPolarHBondContact CE-OE2 3.39Å; K124-E225 IonicContact NZ-OE2 3.44Å; K124-E225 PolarHBondContact NZ-OE2 2.95Å; K124-L228 HydrophobicContact CB-CD1 4.25Å; K124-R240 PolarHBondContact O-NH2 3.06Å; K124-T245 PolarHBondContact NZ-O 2.79Å |
| 125 | G | 84.9 | Confident | 83.8 | Confident | 32 Ų | 32 | 40.3 Ų | 40.3 | 33% | 0.33 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 15.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A121 T122 D123 P150 | A121-G125 PolarHBondContact O-N 3.21Å; T122-G125 PolarHBondContact O-N 3.47Å; D123-G125 VanDerWaalsContact C-N 3.27Å; D123-G125 PolarHBondContact O-N 3.25Å; G125-P150 WeakPolarHBondContact O-CD 3.49Å; G125-P150 VanDerWaalsContact O-CG 3.23Å; G125-P150 WeakPolarHBondContact O-CG 3.4Å |
| 126 | L | 89.9 | Confident | 82.4 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -79.9 | 132.2 | 170.8 | -73.3 | 172.5 | 0 | 0 | 0 | 110.2 | A121 F147 Y149 V157 F159 I224 L228 | A121-L126 HydrophobicContact CB-CB 4.37Å; A121-L126 HydrophobicContact CB-CD1 3.97Å; A121-L126 WeakPolarHBondContact O-CB 3.13Å; A121-L126 PolarHBondContact O-N 3.37Å; A121-L126 VanDerWaalsContact O-N 3.13Å; L126-F147 HydrophobicContact CB-CB 3.9Å; L126-F147 HydrophobicContact CB-CD1 3.86Å; L126-F147 HydrophobicContact CB-CG 4.09Å; L126-F147 HydrophobicContact CD1-CB 4.39Å; L126-F147 HydrophobicContact CD2-CB 4.3Å; L126-F147 HydrophobicContact CG-CB 4.44Å; L126-Y149 HydrophobicContact CD2-CD2 3.79Å; L126-V157 HydrophobicContact CD2-CB 4.47Å; L126-V157 HydrophobicContact CD2-CG2 4.08Å; L126-F159 HydrophobicContact CD1-CE2 3.89Å; L126-F159 HydrophobicContact CD1-CZ 4.05Å; L126-I224 HydrophobicContact CD1-CG2 4.44Å; L126-L228 HydrophobicContact CD1-CD2 4.48Å; L126-L228 HydrophobicContact CD2-CD2 4.03Å; L126-L228 HydrophobicContact CG-CD2 4.4Å |
| 127 | Y | 88.5 | Confident | 80.9 | Confident | 142 Ų | 142 | 49.2 Ų | 49.2 | 56% | 0.557 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124.4 | 175.9 | -66.1 | -54.4 | 0 | 0 | 0 | 109.9 | L129 F147 N148 P150 | Y127-L129 PolarHBondContact O-N 3.4Å; Y127-F147 CarbonylContact O-C 3.52Å; Y127-F147 WeakPolarHBondContact O-CA 3.25Å; Y127-F147 WeakPolarHBondContact O-CB 3.43Å; Y127-N148 PolarHBondContact N-O 2.72Å; Y127-N148 PolarHBondContact O-N 2.84Å; Y127-P150 HydrophobicContact CD2-CB 4Å; Y127-P150 HydrophobicContact CE2-CB 3.51Å; Y127-P150 HydrophobicContact CE2-CG 4.47Å |
| 128 | N | 85 | Confident | 79.4 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 39% | 0.39 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 130.8 | 176.6 | 57.9 | -60.6 | 0 | 0 | 0 | 110.5 | Y118 F147 | Y118-N128 HydrophobicContact CE2-CB 3.66Å; Y118-N128 WeakPolarHBondContact OH-CB 3.47Å; Y118-N128 PolarHBondContact OH-ND2 2.73Å; N128-F147 HydrophobicContact CB-CD1 4.09Å; N128-F147 HydrophobicContact CB-CE1 3.9Å |
| 129 | L | 80.5 | Confident | 77.9 | Confident | 89 Ų | 89 | 64.3 Ų | 64.3 | 47% | 0.466 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -96.3 | -32.4 | 167.9 | -66.3 | 174.5 | 0 | 0 | 0 | 110.9 | Y127 T146 N148 K156 | Y127-L129 PolarHBondContact O-N 3.4Å; L129-T146 HydrophobicContact CD1-CG2 3.92Å; L129-T146 PolarHBondContact N-O 2.96Å; L129-N148 HydrophobicContact CD1-CB 4.2Å; L129-N148 HydrophobicContact CD2-CB 4.19Å; L129-N148 HydrophobicContact CG-CB 4.17Å; L129-K156 HydrophobicContact CD1-CD 3.78Å; L129-K156 HydrophobicContact CD1-CG 4.21Å |
| 130 | D | 76 | Confident | 76.9 | Confident | 33 Ų | 33 | 64.9 Ų | 64.9 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -100 | 137 | 178.5 | -55.9 | -34.3 | 0 | 0 | 0 | 110.5 | Y135 T146 | D130-Y135 HydrophobicContact CB-CE2 4.29Å; D130-T146 WeakPolarHBondContact OD2-CA 3.38Å; D130-T146 WeakPolarHBondContact OD2-CB 2.93Å; D130-T146 PolarHBondContact OD2-N 3.13Å; D130-T146 PolarHBondContact OD2-OG1 3.4Å |
| 131 | D | 77.5 | Confident | 76.3 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 34% | 0.337 | 34% | 0.34 | S | S | . | . | trans | -79.3 | 123.9 | 166.3 | -174.1 | -3.5 | 0 | 0 | 0 | 108.9 | N133 Q134 | D131-N133 VanDerWaalsContact CG-ND2 3.3Å; D131-N133 PolarHBondContact O-N 3.15Å; D131-N133 WeakPolarHBondContact OD1-CB 3.45Å; D131-N133 PolarHBondContact OD1-N 2.73Å; D131-N133 PolarHBondContact OD1-ND2 3.26Å; D131-N133 WeakPolarHBondContact OD2-CB 3.02Å; D131-N133 PolarHBondContact OD2-ND2 3.4Å; D131-Q134 HydrophobicContact CB-CG 4.36Å; D131-Q134 WeakPolarHBondContact O-CB 3.41Å; D131-Q134 WeakPolarHBondContact O-CG 3.49Å; D131-Q134 PolarHBondContact O-N 2.67Å | ||
| 132 | I | 78 | Confident | 76.2 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -56.6 | -24.7 | 177.4 | -162.4 | 169.8 | 0 | 0 | 0 | 112.1 | L97 I101 Y111 A114 I115 Y118 Q134 Y135 L145 | L97-I132 HydrophobicContact CD1-CG2 4.22Å; L97-I132 HydrophobicContact CD2-CG2 4.22Å; L97-I132 HydrophobicContact CG-CG2 4.41Å; I101-I132 HydrophobicContact CD1-CG2 4.37Å; Y111-I132 HydrophobicContact CE2-CG1 4.13Å; Y111-I132 WeakPolarHBondContact CE2-O 3.38Å; Y111-I132 PolarHBondContact OH-O 3.43Å; A114-I132 HydrophobicContact CB-CD1 4.26Å; I115-I132 HydrophobicContact CB-CD1 4.35Å; I115-I132 HydrophobicContact CG1-CD1 3.74Å; Y118-I132 HydrophobicContact CD2-CB 4.13Å; Y118-I132 HydrophobicContact CD2-CD1 4.47Å; Y118-I132 HydrophobicContact CE2-CB 4.32Å; Y118-I132 HydrophobicContact CG-CB 4.46Å; Y118-I132 HydrophobicContact CG-CD1 4.18Å; I132-Q134 PolarHBondContact O-N 2.96Å; I132-Y135 PolarHBondContact O-N 3Å; I132-L145 HydrophobicContact CG1-CD2 4.47Å |
| 133 | N | 71.6 | Confident | 76.3 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 34% | 0.342 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -59.1 | -27.9 | 177 | -62.1 | -28.1 | 0 | 0 | 0 | 112.6 | I101 D131 Y135 Y136 | I101-N133 WeakPolarHBondContact CG1-OD1 3.13Å; D131-N133 VanDerWaalsContact CG-ND2 3.3Å; D131-N133 PolarHBondContact O-N 3.15Å; D131-N133 WeakPolarHBondContact OD1-CB 3.45Å; D131-N133 PolarHBondContact OD1-N 2.73Å; D131-N133 PolarHBondContact OD1-ND2 3.26Å; D131-N133 WeakPolarHBondContact OD2-CB 3.02Å; D131-N133 PolarHBondContact OD2-ND2 3.4Å; N133-Y135 PolarHBondContact O-N 2.85Å; N133-Y136 WeakPolarHBondContact O-CB 3.46Å; N133-Y136 PolarHBondContact O-N 3.43Å |
| 134 | Q | 72.1 | Confident | 76.6 | Confident | 120 Ų | 120 | 72.9 Ų | 72.9 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -65.4 | -28.6 | -179.4 | -62.5 | 178.7 | 6.6 | 0 | 0 | 112.7 | D131 I132 Y136 | D131-Q134 HydrophobicContact CB-CG 4.36Å; D131-Q134 WeakPolarHBondContact O-CB 3.41Å; D131-Q134 WeakPolarHBondContact O-CG 3.49Å; D131-Q134 PolarHBondContact O-N 2.67Å; I132-Q134 PolarHBondContact O-N 2.96Å; Q134-Y136 VanDerWaalsContact C-N 3.32Å |
| 135 | Y | 68.7 | Low | 77.1 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 13% | 0.125 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -84.9 | -6.6 | -179.6 | -60.7 | -74.7 | 0 | 0 | 0 | 113.3 | D130 I132 N133 Q137 Q138 I143 R144 L145 | D130-Y135 HydrophobicContact CB-CE2 4.29Å; I132-Y135 PolarHBondContact O-N 3Å; N133-Y135 PolarHBondContact O-N 2.85Å; Y135-Q137 VanDerWaalsContact C-N 3.32Å; Y135-Q137 PolarHBondContact O-N 3.03Å; Y135-Q138 PolarHBondContact O-N 2.57Å; Y135-I143 HydrophobicContact CD1-CG2 3.95Å; Y135-I143 HydrophobicContact CD2-CG2 4.06Å; Y135-I143 HydrophobicContact CE1-CG2 4.42Å; Y135-I143 HydrophobicContact CG-CG2 3.77Å; Y135-R144 VanDerWaalsContact CE2-O 3.24Å; Y135-R144 WeakPolarHBondContact CE2-O 3.02Å; Y135-R144 PolarHBondContact OH-O 3.15Å; Y135-L145 HydrophobicContact CD2-CD2 3.9Å; Y135-L145 HydrophobicContact CE2-CD2 3.77Å |
| 136 | Y | 59.7 | Low | 77.4 | Confident | 31 Ų | 31 | 72 Ų | 72 | 12% | 0.122 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -61.1 | -38.8 | -177 | 172.9 | -106.3 | 0 | 0 | 0 | 112.9 | I101 N103 Q105 Y107 Y111 N133 Q134 | I101-Y136 HydrophobicContact CG2-CD2 3.62Å; I101-Y136 HydrophobicContact CG2-CE2 4.08Å; I101-Y136 HydrophobicContact CG2-CG 4.09Å; N103-Y136 HydrophobicContact CB-CE1 3.82Å; N103-Y136 PolarHBondContact O-OH 3.28Å; Q105-Y136 WeakPolarHBondContact CB-OH 3.35Å; Q105-Y136 PolarHBondContact N-OH 3.13Å; Y107-Y136 AromaticContact CD1-CD2 3.82Å; Y107-Y136 HydrophobicContact CD1-CD2 3.82Å; Y107-Y136 AromaticContact CD1-CE2 3.66Å; Y107-Y136 HydrophobicContact CD1-CE2 3.66Å; Y107-Y136 AromaticContact CE1-CD2 3.48Å; Y107-Y136 HydrophobicContact CE1-CD2 3.48Å; Y107-Y136 VanDerWaalsContact CE1-CD2 3.48Å; Y107-Y136 AromaticContact CE1-CE2 3.2Å; Y107-Y136 HydrophobicContact CE1-CE2 3.2Å; Y107-Y136 AromaticContact CZ-CE2 3.85Å; Y111-Y136 HydrophobicContact CE1-CD2 4.27Å; N133-Y136 WeakPolarHBondContact O-CB 3.46Å; N133-Y136 PolarHBondContact O-N 3.43Å; Q134-Y136 VanDerWaalsContact C-N 3.32Å |
| 137 | Q | 57.6 | Low | 77.7 | Confident | 157 Ų | 157 | 71.9 Ų | 71.9 | 73% | 0.734 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -87.8 | -15.1 | -176.3 | -63.6 | -177.2 | -6.8 | 0 | 0 | 113.3 | Y135 R139 | Y135-Q137 VanDerWaalsContact C-N 3.32Å; Y135-Q137 PolarHBondContact O-N 3.03Å; Q137-R139 PolarHBondContact O-N 2.84Å |
| 138 | Q | 59.4 | Low | 77.9 | Confident | 107 Ų | 107 | 66.5 Ų | 66.5 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | trans | -83.6 | 112.5 | -177.9 | -65.5 | -175.9 | -0.4 | 0 | 0 | 108.5 | Y135 S140 | Y135-Q138 PolarHBondContact O-N 2.57Å; Q138-S140 PolarHBondContact O-N 2.87Å | ||
| 139 | R | 61.8 | Low | 78.2 | Confident | 234 Ų | 234 | 63.1 Ų | 63.1 | 88% | 0.883 | 30% | 0.3 | S | S | * | . | trans | -68.3 | 38.9 | 160.4 | -70.5 | -172.4 | 177.6 | -179.6 | 0.2 | 111.1 | Q137 | Q137-R139 PolarHBondContact O-N 2.84Š| ||
| 140 | S | 66.7 | Low | 78.4 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 21% | 0.21 | 29% | 0.29 | C | S | . | . | trans | -74.4 | 132.7 | 178.5 | 56.6 | 0 | 0 | 0 | 0 | 108.6 | Q138 I142 | Q138-S140 PolarHBondContact O-N 2.87Å; S140-I142 WeakPolarHBondContact CB-O 3.2Å; S140-I142 PolarHBondContact O-N 3.46Å; S140-I142 PolarHBondContact OG-O 3.06Å | ||
| 141 | S | 78.9 | Confident | 78.8 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 56% | 0.559 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -69.4 | -3.2 | 167.6 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | I110 F162 | I110-S141 VanDerWaalsContact CD1-C 3.49Å; I110-S141 WeakPolarHBondContact CD1-O 3.33Å; S141-F162 VanDerWaalsContact O-CA 3.31Å; S141-F162 WeakPolarHBondContact O-CA 3.4Å; S141-F162 WeakPolarHBondContact O-CB 3.16Å |
| 142 | I | 87.6 | Confident | 79.2 | Confident | 76 Ų | 76 | 62 Ų | 62 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 127.1 | -175.9 | -50.4 | -178.7 | 0 | 0 | 0 | 109.1 | S140 R144 T160 L161 F162 | S140-I142 WeakPolarHBondContact CB-O 3.2Å; S140-I142 PolarHBondContact O-N 3.46Å; S140-I142 PolarHBondContact OG-O 3.06Å; I142-R144 HydrophobicContact CG2-CG 4.46Å; I142-T160 HydrophobicContact CG2-CG2 3.54Å; I142-L161 CarbonylContact C-O 3.58Å; I142-L161 VanDerWaalsContact CA-O 3.23Å; I142-L161 WeakPolarHBondContact CA-O 3.18Å; I142-F162 HydrophobicContact CG1-CB 3.98Å |
| 143 | I | 90 | Very high | 79.3 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 135 | 170.8 | -64.2 | -178.2 | 0 | 0 | 0 | 107.6 | I110 Y111 A114 Y135 L145 T160 L161 | I110-I143 HydrophobicContact CB-CD1 4.39Å; I110-I143 HydrophobicContact CG2-CB 4.27Å; I110-I143 HydrophobicContact CG2-CD1 3.81Å; I110-I143 HydrophobicContact CG2-CG1 3.88Å; Y111-I143 HydrophobicContact CD2-CD1 3.98Å; A114-I143 HydrophobicContact CB-CD1 4.21Å; A114-I143 HydrophobicContact CB-CG2 4.35Å; Y135-I143 HydrophobicContact CD1-CG2 3.95Å; Y135-I143 HydrophobicContact CD2-CG2 4.06Å; Y135-I143 HydrophobicContact CE1-CG2 4.42Å; Y135-I143 HydrophobicContact CG-CG2 3.77Å; I143-L145 HydrophobicContact CG2-CD2 4.02Å; I143-L145 HydrophobicContact CG2-CG 4.14Å; I143-T160 CarbonylContact O-C 3.51Å; I143-T160 WeakPolarHBondContact O-CA 3.36Å; I143-L161 HydrophobicContact CB-CB 4.45Å; I143-L161 PolarHBondContact N-O 3.45Å; I143-L161 PolarHBondContact O-N 3.31Å |
| 144 | R | 90.9 | Very high | 80 | Confident | 149 Ų | 149 | 70.4 Ų | 70.4 | 56% | 0.562 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.8 | 173.5 | -67.8 | -175.4 | 177 | 170.9 | 1.2 | 108.4 | Y135 I142 F159 T160 | Y135-R144 VanDerWaalsContact CE2-O 3.24Å; Y135-R144 WeakPolarHBondContact CE2-O 3.02Å; Y135-R144 PolarHBondContact OH-O 3.15Å; I142-R144 HydrophobicContact CG2-CG 4.46Å; R144-F159 CarbonylContact C-O 3.53Å; R144-F159 VanDerWaalsContact CA-O 3.29Å; R144-F159 WeakPolarHBondContact CA-O 3.26Å; R144-T160 HydrophobicContact CG-CG2 4.03Å |
| 145 | L | 92.7 | Very high | 80.8 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.7 | 177 | -59.5 | 175.4 | 0 | 0 | 0 | 108.3 | A114 L117 I132 Y135 I143 F147 I158 F159 L161 | A114-L145 HydrophobicContact CB-CD1 4.35Å; L117-L145 HydrophobicContact CD2-CD1 4.32Å; I132-L145 HydrophobicContact CG1-CD2 4.47Å; Y135-L145 HydrophobicContact CD2-CD2 3.9Å; Y135-L145 HydrophobicContact CE2-CD2 3.77Å; I143-L145 HydrophobicContact CG2-CD2 4.02Å; I143-L145 HydrophobicContact CG2-CG 4.14Å; L145-F147 HydrophobicContact CB-CD2 4.37Å; L145-F147 HydrophobicContact CB-CE2 3.57Å; L145-F147 HydrophobicContact CB-CZ 4.29Å; L145-F147 HydrophobicContact CD1-CE2 4.42Å; L145-I158 WeakPolarHBondContact O-CA 3.41Å; L145-F159 HydrophobicContact CB-CB 4.45Å; L145-F159 PolarHBondContact N-O 2.95Å; L145-F159 PolarHBondContact O-N 2.78Å; L145-L161 HydrophobicContact CD1-CD1 4.22Å; L145-L161 HydrophobicContact CG-CD1 4.41Å |
| 146 | T | 93.2 | Very high | 82 | Confident | 27 Ų | 27 | 66.9 Ų | 66.9 | 17% | 0.166 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 131.4 | -179.7 | -42.6 | 0 | 0 | 0 | 0 | 110.1 | L129 D130 K156 I158 | L129-T146 HydrophobicContact CD1-CG2 3.92Å; L129-T146 PolarHBondContact N-O 2.96Å; D130-T146 WeakPolarHBondContact OD2-CA 3.38Å; D130-T146 WeakPolarHBondContact OD2-CB 2.93Å; D130-T146 PolarHBondContact OD2-N 3.13Å; D130-T146 PolarHBondContact OD2-OG1 3.4Å; T146-K156 HydrophobicContact CG2-CB 4.08Å; T146-K156 HydrophobicContact CG2-CD 4Å; T146-I158 HydrophobicContact CG2-CG1 4.12Å |
| 147 | F | 94.1 | Very high | 83.6 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.3 | 176.9 | -63.3 | -98 | 0 | 0 | 0 | 110.7 | Y118 A121 T122 L126 Y127 N128 L145 K156 V157 F159 | Y118-F147 HydrophobicContact CD2-CE1 4.11Å; Y118-F147 AromaticContact CD2-CZ 3.73Å; Y118-F147 HydrophobicContact CD2-CZ 3.73Å; Y118-F147 HydrophobicContact CE2-CE1 4.28Å; Y118-F147 HydrophobicContact CE2-CZ 4.28Å; Y118-F147 HydrophobicContact CG-CZ 4.37Å; A121-F147 HydrophobicContact CB-CD1 4.23Å; A121-F147 HydrophobicContact CB-CE1 3.81Å; A121-F147 HydrophobicContact CB-CE2 4.15Å; A121-F147 HydrophobicContact CB-CZ 3.77Å; T122-F147 HydrophobicContact CG2-CE1 4.19Å; L126-F147 HydrophobicContact CB-CB 3.9Å; L126-F147 HydrophobicContact CB-CD1 3.86Å; L126-F147 HydrophobicContact CB-CG 4.09Å; L126-F147 HydrophobicContact CD1-CB 4.39Å; L126-F147 HydrophobicContact CD2-CB 4.3Å; L126-F147 HydrophobicContact CG-CB 4.44Å; Y127-F147 CarbonylContact O-C 3.52Å; Y127-F147 WeakPolarHBondContact O-CA 3.25Å; Y127-F147 WeakPolarHBondContact O-CB 3.43Å; N128-F147 HydrophobicContact CB-CD1 4.09Å; N128-F147 HydrophobicContact CB-CE1 3.9Å; L145-F147 HydrophobicContact CB-CD2 4.37Å; L145-F147 HydrophobicContact CB-CE2 3.57Å; L145-F147 HydrophobicContact CB-CZ 4.29Å; L145-F147 HydrophobicContact CD1-CE2 4.42Å; F147-K156 CarbonylContact O-C 3.56Å; F147-K156 WeakPolarHBondContact O-CA 3.44Å; F147-V157 PolarHBondContact N-O 2.85Å; F147-V157 PolarHBondContact O-N 3.08Å; F147-F159 AromaticContact CD2-CD2 3.56Å; F147-F159 HydrophobicContact CD2-CD2 3.56Å; F147-F159 AromaticContact CD2-CE2 3.73Å; F147-F159 HydrophobicContact CD2-CE2 3.73Å; F147-F159 AromaticContact CE2-CD2 3.64Å; F147-F159 HydrophobicContact CE2-CD2 3.64Å; F147-F159 HydrophobicContact CE2-CE2 4.03Å |
| 148 | N | 92.9 | Very high | 85.4 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 138.2 | 169 | -165.1 | 2 | 0 | 0 | 0 | 110.5 | Y127 L129 H153 I155 | Y127-N148 PolarHBondContact N-O 2.72Å; Y127-N148 PolarHBondContact O-N 2.84Å; L129-N148 HydrophobicContact CD1-CB 4.2Å; L129-N148 HydrophobicContact CD2-CB 4.19Å; L129-N148 HydrophobicContact CG-CB 4.17Å; N148-H153 PolarHBondContact ND2-O 2.99Å; N148-H153 PolarHBondContact OD1-O 2.78Å; N148-I155 PolarHBondContact OD1-O 3.33Å; N148-I155 VanDerWaalsContact OD1-O 3.12Å |
| 149 | Y | 91.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | trans | -87.3 | 118.5 | 173.3 | -171.4 | -117.2 | 0 | 0 | 0 | 110.8 | L126 Q151 V152 I155 L228 I231 H232 L237 R240 | L126-Y149 HydrophobicContact CD2-CD2 3.79Å; Y149-Q151 VanDerWaalsContact C-N 3.31Å; Y149-Q151 HydrophobicContact CD1-CB 4.21Å; Y149-Q151 HydrophobicContact CE1-CB 3.62Å; Y149-Q151 HydrophobicContact CE1-CG 4Å; Y149-Q151 PolarHBondContact O-N 2.85Å; Y149-Q151 VanDerWaalsContact O-N 3.17Å; Y149-Q151 PolarHBondContact OH-OE1 2.84Å; Y149-V152 CarbonylContact O-C 3.59Å; Y149-V152 VanDerWaalsContact O-C 3.27Å; Y149-V152 PolarHBondContact O-N 2.79Å; Y149-I155 PolarHBondContact N-O 3.27Å; Y149-L228 HydrophobicContact CD2-CD2 3.72Å; Y149-L228 HydrophobicContact CE2-CD2 3.75Å; Y149-I231 HydrophobicContact CD1-CG2 3.9Å; Y149-I231 HydrophobicContact CE1-CG2 4Å; Y149-H232 AromaticContact CZ-NE2 3.62Å; Y149-H232 PolarHBondContact OH-NE2 3.3Å; Y149-L237 HydrophobicContact CE1-CD1 3.87Å; Y149-R240 PolarHBondContact OH-NH1 2.86Å | ||
| 150 | P | 86.2 | Confident | 88.7 | Confident | 38 Ų | 38 | 44.6 Ų | 44.6 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -33.9 | -168.8 | 21.8 | -37 | 0 | 0 | 0 | 115.3 | G125 Y127 V152 | G125-P150 WeakPolarHBondContact O-CD 3.49Å; G125-P150 VanDerWaalsContact O-CG 3.23Å; G125-P150 WeakPolarHBondContact O-CG 3.4Å; Y127-P150 HydrophobicContact CD2-CB 4Å; Y127-P150 HydrophobicContact CE2-CB 3.51Å; Y127-P150 HydrophobicContact CE2-CG 4.47Å; P150-V152 VanDerWaalsContact C-N 3.3Å |
| 151 | Q | 84.6 | Confident | 90 | Very high | 96 Ų | 96 | 43.1 Ų | 43.1 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -20.2 | -174.8 | -60.8 | -177.8 | -28.7 | 0 | 0 | 112.5 | Y149 H232 L237 | Y149-Q151 VanDerWaalsContact C-N 3.31Å; Y149-Q151 HydrophobicContact CD1-CB 4.21Å; Y149-Q151 HydrophobicContact CE1-CB 3.62Å; Y149-Q151 HydrophobicContact CE1-CG 4Å; Y149-Q151 PolarHBondContact O-N 2.85Å; Y149-Q151 VanDerWaalsContact O-N 3.17Å; Y149-Q151 PolarHBondContact OH-OE1 2.84Å; Q151-H232 PolarHBondContact OE1-CE1 3.22Å; Q151-H232 PolarHBondContact OE1-NE2 2.93Å; Q151-L237 HydrophobicContact CB-CD1 4.38Å |
| 152 | V | 85.6 | Confident | 90.6 | Very high | 28 Ų | 28 | 43.1 Ų | 43.1 | 17% | 0.17 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -141.7 | 92.8 | -179.5 | -169.1 | 0 | 0 | 0 | 0 | 107.7 | Y149 P150 S154 I155 F235 L237 | Y149-V152 CarbonylContact O-C 3.59Å; Y149-V152 VanDerWaalsContact O-C 3.27Å; Y149-V152 PolarHBondContact O-N 2.79Å; P150-V152 VanDerWaalsContact C-N 3.3Å; V152-S154 WeakPolarHBondContact CG1-OG 3.16Å; V152-S154 PolarHBondContact O-N 3.43Å; V152-I155 HydrophobicContact CB-CB 4.4Å; V152-I155 HydrophobicContact CB-CD1 3.51Å; V152-I155 HydrophobicContact CB-CG1 3.77Å; V152-I155 HydrophobicContact CG1-CD1 3.69Å; V152-I155 HydrophobicContact CG1-CG1 3.64Å; V152-I155 HydrophobicContact CG2-CD1 3.9Å; V152-I155 WeakPolarHBondContact O-CB 3.38Å; V152-I155 PolarHBondContact O-N 2.88Å; V152-F235 HydrophobicContact CG1-CE1 4.47Å; V152-L237 HydrophobicContact CG2-CD1 3.87Å; V152-L237 HydrophobicContact CG2-CD2 4.03Å |
| 153 | H | 79.7 | Confident | 90.6 | Very high | 144 Ų | 144 | 41.5 Ų | 41.5 | 67% | 0.667 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.5 | -171.8 | -66 | -52 | 0 | 0 | 0 | 115.5 | N148 I155 | N148-H153 PolarHBondContact ND2-O 2.99Å; N148-H153 PolarHBondContact OD1-O 2.78Å; H153-I155 VanDerWaalsContact C-N 3.34Å |
| 154 | S | 85.4 | Confident | 90.5 | Very high | 96 Ų | 96 | 47.6 Ų | 47.6 | 67% | 0.671 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -17.2 | 175.5 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | V152 K156 | V152-S154 WeakPolarHBondContact CG1-OG 3.16Å; V152-S154 PolarHBondContact O-N 3.43Å; S154-K156 PolarHBondContact O-N 3.39Å |
| 155 | I | 90.1 | Very high | 90.2 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | trans | -86.7 | 115.2 | -174.5 | -62 | -178.9 | 0 | 0 | 0 | 110.1 | N148 Y149 V152 H153 V157 V174 I231 F235 | N148-I155 PolarHBondContact OD1-O 3.33Å; N148-I155 VanDerWaalsContact OD1-O 3.12Å; Y149-I155 PolarHBondContact N-O 3.27Å; V152-I155 HydrophobicContact CB-CB 4.4Å; V152-I155 HydrophobicContact CB-CD1 3.51Å; V152-I155 HydrophobicContact CB-CG1 3.77Å; V152-I155 HydrophobicContact CG1-CD1 3.69Å; V152-I155 HydrophobicContact CG1-CG1 3.64Å; V152-I155 HydrophobicContact CG2-CD1 3.9Å; V152-I155 WeakPolarHBondContact O-CB 3.38Å; V152-I155 PolarHBondContact O-N 2.88Å; H153-I155 VanDerWaalsContact C-N 3.34Å; I155-V157 HydrophobicContact CG2-CG2 4.5Å; I155-V174 HydrophobicContact CG2-CG1 3.54Å; I155-I231 HydrophobicContact CD1-CG2 3.64Å; I155-I231 HydrophobicContact CG2-CD1 4.11Å; I155-F235 HydrophobicContact CD1-CD1 4.11Å; I155-F235 HydrophobicContact CD1-CD2 3.55Å; I155-F235 HydrophobicContact CD1-CE1 3.78Å; I155-F235 HydrophobicContact CD1-CE2 3.2Å; I155-F235 HydrophobicContact CD1-CG 3.98Å; I155-F235 HydrophobicContact CD1-CZ 3.28Å; I155-F235 HydrophobicContact CG1-CE1 4.2Å; I155-F235 HydrophobicContact CG1-CE2 4.03Å; I155-F235 HydrophobicContact CG1-CZ 3.68Å | ||
| 156 | K | 93.1 | Very high | 89.9 | Confident | 76 Ų | 76 | 46.4 Ų | 46.4 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.6 | 168.8 | -54.1 | -164.3 | -155.1 | 111.7 | 0 | 111.2 | L129 T146 F147 S154 V174 E175 | L129-K156 HydrophobicContact CD1-CD 3.78Å; L129-K156 HydrophobicContact CD1-CG 4.21Å; T146-K156 HydrophobicContact CG2-CB 4.08Å; T146-K156 HydrophobicContact CG2-CD 4Å; F147-K156 CarbonylContact O-C 3.56Å; F147-K156 WeakPolarHBondContact O-CA 3.44Å; S154-K156 PolarHBondContact O-N 3.39Å; K156-V174 WeakPolarHBondContact O-CA 3.37Å; K156-E175 HydrophobicContact CB-CB 4.02Å; K156-E175 WeakPolarHBondContact CB-OE2 3.42Å; K156-E175 WeakPolarHBondContact CD-OE2 3.38Å; K156-E175 WeakPolarHBondContact CE-OE2 3.28Å; K156-E175 WeakPolarHBondContact CG-OE2 3.24Å; K156-E175 IonicContact NZ-OE1 3.6Å; K156-E175 IonicContact NZ-OE2 2.71Å; K156-E175 PolarHBondContact NZ-OE2 2.66Å; K156-E175 PolarHBondContact O-N 3.42Å |
| 157 | V | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 119.8 | 171.8 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | L126 F147 I155 F159 I227 I231 | L126-V157 HydrophobicContact CD2-CB 4.47Å; L126-V157 HydrophobicContact CD2-CG2 4.08Å; F147-V157 PolarHBondContact N-O 2.85Å; F147-V157 PolarHBondContact O-N 3.08Å; I155-V157 HydrophobicContact CG2-CG2 4.5Å; V157-F159 HydrophobicContact CB-CE2 4.48Å; V157-F159 HydrophobicContact CG1-CD2 4.32Å; V157-F159 HydrophobicContact CG1-CE1 4.47Å; V157-F159 HydrophobicContact CG1-CE2 3.66Å; V157-F159 HydrophobicContact CG1-CZ 3.74Å; V157-I227 HydrophobicContact CG1-CG2 4.05Å; V157-I231 HydrophobicContact CG2-CD1 3.8Å |
| 158 | I | 94.8 | Very high | 89.6 | Confident | 34 Ų | 34 | 48.2 Ų | 48.2 | 17% | 0.174 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.6 | -178.5 | -56.7 | 167.1 | 0 | 0 | 0 | 108.4 | L145 T146 A172 S173 E175 | L145-I158 WeakPolarHBondContact O-CA 3.41Å; T146-I158 HydrophobicContact CG2-CG1 4.12Å; I158-A172 CarbonylContact O-C 3.52Å; I158-A172 WeakPolarHBondContact O-CA 3.39Å; I158-S173 PolarHBondContact N-O 3.47Å; I158-S173 PolarHBondContact O-N 3.3Å; I158-E175 HydrophobicContact CD1-CB 4.32Å |
| 159 | F | 95.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118.7 | 169.7 | -62.1 | -85.1 | 0 | 0 | 0 | 110.3 | L117 A121 L126 R144 L145 F147 V157 L161 I170 A171 A172 L223 I224 | L117-F159 HydrophobicContact CD1-CD1 4.18Å; L117-F159 HydrophobicContact CD1-CE1 4.39Å; L117-F159 HydrophobicContact CD2-CB 3.86Å; L117-F159 HydrophobicContact CD2-CD1 4.37Å; L117-F159 HydrophobicContact CD2-CG 4.17Å; A121-F159 HydrophobicContact CB-CE2 4.34Å; L126-F159 HydrophobicContact CD1-CE2 3.89Å; L126-F159 HydrophobicContact CD1-CZ 4.05Å; R144-F159 CarbonylContact C-O 3.53Å; R144-F159 VanDerWaalsContact CA-O 3.29Å; R144-F159 WeakPolarHBondContact CA-O 3.26Å; L145-F159 HydrophobicContact CB-CB 4.45Å; L145-F159 PolarHBondContact N-O 2.95Å; L145-F159 PolarHBondContact O-N 2.78Å; F147-F159 AromaticContact CD2-CD2 3.56Å; F147-F159 HydrophobicContact CD2-CD2 3.56Å; F147-F159 AromaticContact CD2-CE2 3.73Å; F147-F159 HydrophobicContact CD2-CE2 3.73Å; F147-F159 AromaticContact CE2-CD2 3.64Å; F147-F159 HydrophobicContact CE2-CD2 3.64Å; F147-F159 HydrophobicContact CE2-CE2 4.03Å; V157-F159 HydrophobicContact CB-CE2 4.48Å; V157-F159 HydrophobicContact CG1-CD2 4.32Å; V157-F159 HydrophobicContact CG1-CE1 4.47Å; V157-F159 HydrophobicContact CG1-CE2 3.66Å; V157-F159 HydrophobicContact CG1-CZ 3.74Å; F159-L161 HydrophobicContact CB-CD1 4.41Å; F159-I170 HydrophobicContact CD1-CG2 4.46Å; F159-A171 CarbonylContact C-O 3.59Å; F159-A171 VanDerWaalsContact CA-O 3.28Å; F159-A171 WeakPolarHBondContact CA-O 3.11Å; F159-A172 HydrophobicContact CD1-CB 3.56Å; F159-A172 HydrophobicContact CE1-CB 3.53Å; F159-L223 HydrophobicContact CD1-CD2 4.01Å; F159-L223 HydrophobicContact CE1-CD2 4.03Å; F159-L223 HydrophobicContact CE1-CG 4.28Å; F159-I224 HydrophobicContact CE1-CG1 4.15Å; F159-I224 HydrophobicContact CZ-CG1 4.1Å |
| 160 | T | 94 | Very high | 89.9 | Confident | 25 Ų | 25 | 47.2 Ų | 47.2 | 15% | 0.153 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 117.5 | 173.4 | -56.9 | 0 | 0 | 0 | 0 | 109.6 | I142 I143 R144 F162 A171 | I142-T160 HydrophobicContact CG2-CG2 3.54Å; I143-T160 CarbonylContact O-C 3.51Å; I143-T160 WeakPolarHBondContact O-CA 3.36Å; R144-T160 HydrophobicContact CG-CG2 4.03Å; T160-F162 HydrophobicContact CG2-CD1 4.41Å; T160-A171 PolarHBondContact N-O 2.82Å; T160-A171 PolarHBondContact O-N 2.88Å |
| 161 | L | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.5 | 174.9 | -61.6 | 86.3 | 0 | 0 | 0 | 109.3 | I110 M113 A114 L117 I142 I143 L145 F159 C169 I170 | I110-L161 HydrophobicContact CG2-CB 3.9Å; M113-L161 HydrophobicContact CB-CD2 4.42Å; A114-L161 HydrophobicContact CB-CD2 4Å; L117-L161 HydrophobicContact CD2-CD1 3.41Å; L117-L161 VanDerWaalsContact CD2-CD1 3.41Å; L117-L161 HydrophobicContact CD2-CD2 3.77Å; L117-L161 HydrophobicContact CD2-CG 3.84Å; I142-L161 CarbonylContact C-O 3.58Å; I142-L161 VanDerWaalsContact CA-O 3.23Å; I142-L161 WeakPolarHBondContact CA-O 3.18Å; I143-L161 HydrophobicContact CB-CB 4.45Å; I143-L161 PolarHBondContact N-O 3.45Å; I143-L161 PolarHBondContact O-N 3.31Å; L145-L161 HydrophobicContact CD1-CD1 4.22Å; L145-L161 HydrophobicContact CG-CD1 4.41Å; F159-L161 HydrophobicContact CB-CD1 4.41Å; L161-C169 WeakPolarHBondContact CA-O 2.94Å; L161-I170 HydrophobicContact CD2-CD1 4.32Å; L161-I170 HydrophobicContact CD2-CG1 4.13Å; L161-I170 HydrophobicContact CG-CG1 4.18Å; L161-I170 HydrophobicContact CG-CG2 4.17Å |
| 162 | F | 91.9 | Very high | 90.9 | Very high | 79 Ų | 79 | 42.4 Ų | 42.4 | 35% | 0.346 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 155.7 | 170.8 | 61.4 | -86.4 | 0 | 0 | 0 | 110 | S141 I142 T160 C169 | S141-F162 VanDerWaalsContact O-CA 3.31Å; S141-F162 WeakPolarHBondContact O-CA 3.4Å; S141-F162 WeakPolarHBondContact O-CB 3.16Å; I142-F162 HydrophobicContact CG1-CB 3.98Å; T160-F162 HydrophobicContact CG2-CD1 4.41Å; F162-C169 HydrophobicContact CD1-CB 4.13Å; F162-C169 HydrophobicContact CD2-CB 4.05Å; F162-C169 HydrophobicContact CE1-CB 3.67Å; F162-C169 HydrophobicContact CE2-CB 3.58Å; F162-C169 HydrophobicContact CG-CB 4.32Å; F162-C169 HydrophobicContact CZ-CB 3.39Å; F162-C169 VanDerWaalsContact CZ-SG 3.5Å; F162-C169 PolarHBondContact N-O 2.82Å; F162-C169 PolarHBondContact O-N 2.98Å |
| 163 | Q | 88.5 | Confident | 91.4 | Very high | 42 Ų | 42 | 42.6 Ų | 42.6 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.9 | -179.9 | -177.2 | 173.6 | -14.9 | 0 | 0 | 110.8 | S109 I110 G165 M167 | S109-Q163 PolarHBondContact OG-NE2 3.47Å; S109-Q163 PolarHBondContact OG-OE1 3.2Å; I110-Q163 HydrophobicContact CD1-CB 3.76Å; I110-Q163 HydrophobicContact CG1-CB 3.48Å; I110-Q163 VanDerWaalsContact CG1-CB 3.48Å; Q163-G165 VanDerWaalsContact CG-O 3.31Å; Q163-G165 WeakPolarHBondContact CG-O 3.42Å; Q163-G165 PolarHBondContact NE2-O 2.73Å; Q163-M167 WeakPolarHBondContact CA-O 3.46Å; Q163-M167 WeakPolarHBondContact CG-O 3.36Å |
| 164 | N | 86.6 | Confident | 92.1 | Very high | 129 Ų | 129 | 36 Ų | 36 | 69% | 0.69 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 102.1 | 170.7 | -172.8 | 0.6 | 0 | 0 | 0 | 108.4 | N166 M167 | N164-N166 PolarHBondContact O-N 2.87Å; N164-M167 PolarHBondContact N-O 3.22Å; N164-M167 WeakPolarHBondContact O-CB 3.24Å; N164-M167 PolarHBondContact O-N 3.31Å |
| 165 | G | 84.9 | Confident | 92.4 | Very high | 52 Ų | 52 | 34.6 Ų | 34.6 | 54% | 0.536 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | -119.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q163 M167 | Q163-G165 VanDerWaalsContact CG-O 3.31Å; Q163-G165 WeakPolarHBondContact CG-O 3.42Å; Q163-G165 PolarHBondContact NE2-O 2.73Å; G165-M167 VanDerWaalsContact C-N 3.33Å |
| 166 | N | 86.8 | Confident | 92.3 | Very high | 73 Ų | 73 | 41.7 Ų | 41.7 | 39% | 0.39 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 6.1 | 178.7 | -65.9 | -38.2 | 0 | 0 | 0 | 113.8 | N164 T187 K188 | N164-N166 PolarHBondContact O-N 2.87Å; N166-T187 PolarHBondContact O-N 3.44Å; N166-T187 PolarHBondContact O-OG1 2.85Å; N166-T187 VanDerWaalsContact O-OG1 3.14Å; N166-K188 HydrophobicContact CB-CD 4.42Å; N166-K188 VanDerWaalsContact CG-CE 3.48Å; N166-K188 PolarHBondContact ND2-NZ 2.6Å; N166-K188 WeakPolarHBondContact OD1-CE 3.29Å |
| 167 | M | 90.2 | Very high | 92.2 | Very high | 66 Ų | 66 | 40.9 Ų | 40.9 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.6 | -178.6 | -52.3 | -58.2 | -63.3 | 0 | 0 | 109.7 | Q163 N164 G165 I184 L185 Q186 | Q163-M167 WeakPolarHBondContact CA-O 3.46Å; Q163-M167 WeakPolarHBondContact CG-O 3.36Å; N164-M167 PolarHBondContact N-O 3.22Å; N164-M167 WeakPolarHBondContact O-CB 3.24Å; N164-M167 PolarHBondContact O-N 3.31Å; G165-M167 VanDerWaalsContact C-N 3.33Å; M167-I184 HydrophobicContact CB-CG2 4.27Å; M167-I184 HydrophobicContact CE-CG2 3.37Å; M167-L185 CarbonylContact C-O 3.53Å; M167-L185 WeakPolarHBondContact CA-O 3.28Å; M167-Q186 HydrophobicContact CE-CG 3.62Å; M167-Q186 HydrophobicContact SD-CB 4.39Å; M167-Q186 HydrophobicContact SD-CG 3.53Å; M167-Q186 VanDerWaalsContact SD-CG 3.53Å |
| 168 | T | 91.6 | Very high | 92 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 120.8 | 167 | -55.4 | 0 | 0 | 0 | 0 | 108.1 | M113 I170 L185 T187 | M113-T168 HydrophobicContact CB-CG2 4.05Å; M113-T168 HydrophobicContact CG-CG2 4.12Å; T168-I170 HydrophobicContact CG2-CG1 4.39Å; T168-L185 PolarHBondContact N-O 2.65Å; T168-L185 PolarHBondContact O-N 2.89Å; T168-T187 PolarHBondContact N-OG1 2.74Å; T168-T187 PolarHBondContact OG1-OG1 3.4Å |
| 169 | C | 94.1 | Very high | 91.8 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 7% | 0.068 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.3 | 171.4 | -170.4 | 0 | 0 | 0 | 0 | 109.2 | L161 F162 | L161-C169 WeakPolarHBondContact CA-O 2.94Å; F162-C169 HydrophobicContact CD1-CB 4.13Å; F162-C169 HydrophobicContact CD2-CB 4.05Å; F162-C169 HydrophobicContact CE1-CB 3.67Å; F162-C169 HydrophobicContact CE2-CB 3.58Å; F162-C169 HydrophobicContact CG-CB 4.32Å; F162-C169 HydrophobicContact CZ-CB 3.39Å; F162-C169 VanDerWaalsContact CZ-SG 3.5Å; F162-C169 PolarHBondContact N-O 2.82Å; F162-C169 PolarHBondContact O-N 2.98Å |
| 170 | I | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 106.9 | 172.8 | -49.7 | 176.4 | 0 | 0 | 0 | 106.7 | L117 F159 L161 T168 Q182 L183 L185 I219 L223 | L117-I170 HydrophobicContact CD1-CG2 4.39Å; L117-I170 HydrophobicContact CD2-CG2 3.68Å; F159-I170 HydrophobicContact CD1-CG2 4.46Å; L161-I170 HydrophobicContact CD2-CD1 4.32Å; L161-I170 HydrophobicContact CD2-CG1 4.13Å; L161-I170 HydrophobicContact CG-CG1 4.18Å; L161-I170 HydrophobicContact CG-CG2 4.17Å; T168-I170 HydrophobicContact CG2-CG1 4.39Å; I170-Q182 CarbonylContact O-C 3.56Å; I170-Q182 WeakPolarHBondContact O-CA 3.39Å; I170-L183 PolarHBondContact N-O 3.45Å; I170-L183 PolarHBondContact O-N 3.3Å; I170-L185 HydrophobicContact CD1-CD1 3.95Å; I170-I219 HydrophobicContact CD1-CD1 4.19Å; I170-I219 HydrophobicContact CD1-CG1 4.31Å; I170-L223 HydrophobicContact CB-CD2 3.93Å; I170-L223 HydrophobicContact CG2-CD2 3.32Å |
| 171 | A | 95.4 | Very high | 91.8 | Very high | 30 Ų | 30 | 58 Ų | 58 | 25% | 0.248 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 135.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | F159 T160 K181 | F159-A171 CarbonylContact C-O 3.59Å; F159-A171 VanDerWaalsContact CA-O 3.28Å; F159-A171 WeakPolarHBondContact CA-O 3.11Å; T160-A171 PolarHBondContact N-O 2.82Å; T160-A171 PolarHBondContact O-N 2.88Å; A171-K181 CarbonylContact C-O 3.54Å; A171-K181 WeakPolarHBondContact CA-O 3.15Å |
| 172 | A | 96.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 2% | 0.017 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | I158 F159 R180 K181 L223 I227 | I158-A172 CarbonylContact O-C 3.52Å; I158-A172 WeakPolarHBondContact O-CA 3.39Å; F159-A172 HydrophobicContact CD1-CB 3.56Å; F159-A172 HydrophobicContact CE1-CB 3.53Å; A172-R180 CarbonylContact O-C 3.52Å; A172-R180 WeakPolarHBondContact O-CA 3.12Å; A172-K181 PolarHBondContact N-O 2.82Å; A172-K181 PolarHBondContact O-N 3.34Å; A172-L223 HydrophobicContact CB-CD1 3.76Å; A172-L223 HydrophobicContact CB-CG 4.08Å; A172-I227 HydrophobicContact CB-CD1 3.9Å; A172-I227 HydrophobicContact CB-CG1 3.68Å |
| 173 | S | 95.7 | Very high | 92 | Very high | 32 Ų | 32 | 61.3 Ų | 61.3 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 151.4 | 177.5 | 54.8 | 0 | 0 | 0 | 0 | 110.6 | I158 I179 | I158-S173 PolarHBondContact N-O 3.47Å; I158-S173 PolarHBondContact O-N 3.3Å; S173-I179 WeakPolarHBondContact CA-O 3.25Å |
| 174 | V | 94.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 128.4 | 170.4 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | I155 K156 D176 H177 I179 I227 I231 | I155-V174 HydrophobicContact CG2-CG1 3.54Å; K156-V174 WeakPolarHBondContact O-CA 3.37Å; V174-D176 PolarHBondContact O-N 3.45Å; V174-H177 HydrophobicContact CB-CB 4.09Å; V174-H177 HydrophobicContact CG1-CB 4Å; V174-H177 PolarHBondContact O-N 2.94Å; V174-I179 HydrophobicContact CB-CB 4.09Å; V174-I179 HydrophobicContact CG2-CB 3.78Å; V174-I179 HydrophobicContact CG2-CD1 4.26Å; V174-I179 HydrophobicContact CG2-CG2 3.78Å; V174-I179 PolarHBondContact N-O 3.48Å; V174-I179 VanDerWaalsContact N-O 3.09Å; V174-I227 HydrophobicContact CG2-CG2 4.12Å; V174-I231 HydrophobicContact CG2-CD1 3.81Å; V174-I231 HydrophobicContact CG2-CG1 3.79Å |
| 175 | E | 91 | Very high | 92.5 | Very high | 67 Ų | 67 | 58 Ų | 58 | 31% | 0.313 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 136.6 | 176.9 | -168.9 | 172.2 | -131.4 | 0 | 0 | 109.8 | K156 I158 H177 | K156-E175 HydrophobicContact CB-CB 4.02Å; K156-E175 WeakPolarHBondContact CB-OE2 3.42Å; K156-E175 WeakPolarHBondContact CD-OE2 3.38Å; K156-E175 WeakPolarHBondContact CE-OE2 3.28Å; K156-E175 WeakPolarHBondContact CG-OE2 3.24Å; K156-E175 IonicContact NZ-OE1 3.6Å; K156-E175 IonicContact NZ-OE2 2.71Å; K156-E175 PolarHBondContact NZ-OE2 2.66Å; K156-E175 PolarHBondContact O-N 3.42Å; I158-E175 HydrophobicContact CD1-CB 4.32Å; E175-H177 PolarHBondContact O-CD2 3.04Å; E175-H177 PolarHBondContact O-N 2.95Å |
| 176 | D | 88.8 | Confident | 92.8 | Very high | 153 Ų | 153 | 60.5 Ų | 60.5 | 82% | 0.818 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 11.3 | -179.5 | -55 | -34.6 | 0 | 0 | 0 | 117.2 | V174 | V174-D176 PolarHBondContact O-N 3.45Š|
| 177 | H | 90.6 | Very high | 92.7 | Very high | 59 Ų | 59 | 57 Ų | 57 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -128 | 151.6 | 178.7 | -70.3 | -79.2 | 0 | 0 | 0 | 112.9 | V174 E175 I179 F235 | V174-H177 HydrophobicContact CB-CB 4.09Å; V174-H177 HydrophobicContact CG1-CB 4Å; V174-H177 PolarHBondContact O-N 2.94Å; E175-H177 PolarHBondContact O-CD2 3.04Å; E175-H177 PolarHBondContact O-N 2.95Å; H177-I179 HydrophobicContact CB-CD1 4.35Å; H177-I179 HydrophobicContact CB-CG1 4.36Å; H177-I179 PolarHBondContact O-N 2.97Å; H177-F235 AromaticContact CD2-CZ 3.92Å; H177-F235 AromaticContact CE1-CZ 3.47Å; H177-F235 VanDerWaalsContact CE1-CZ 3.47Å; H177-F235 WeakPolarHBondContact CE1-CZ 3.29Å; H177-F235 AromaticContact NE2-CZ 3.28Å; H177-F235 VanDerWaalsContact NE2-CZ 3.28Å; H177-F235 WeakPolarHBondContact NE2-CZ 3.22Å |
| 178 | P | 90.7 | Very high | 92.5 | Very high | 103 Ų | 103 | 60 Ų | 60 | 67% | 0.669 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -73.9 | 9.1 | 178.1 | 31.6 | -35.7 | 0 | 0 | 0 | 113.7 | R180 | P178-R180 PolarHBondContact O-N 2.92Š|
| 179 | I | 91.7 | Very high | 92.2 | Very high | 15 Ų | 15 | 63 Ų | 63 | 8% | 0.077 | 31% | 0.311 | C | S | . | . | trans | -79.1 | 112 | -177.9 | -58.6 | 168.1 | 0 | 0 | 0 | 109.6 | S173 V174 H177 I227 A230 I231 E234 | S173-I179 WeakPolarHBondContact CA-O 3.25Å; V174-I179 HydrophobicContact CB-CB 4.09Å; V174-I179 HydrophobicContact CG2-CB 3.78Å; V174-I179 HydrophobicContact CG2-CD1 4.26Å; V174-I179 HydrophobicContact CG2-CG2 3.78Å; V174-I179 PolarHBondContact N-O 3.48Å; V174-I179 VanDerWaalsContact N-O 3.09Å; H177-I179 HydrophobicContact CB-CD1 4.35Å; H177-I179 HydrophobicContact CB-CG1 4.36Å; H177-I179 PolarHBondContact O-N 2.97Å; I179-I227 HydrophobicContact CG2-CD1 3.89Å; I179-A230 HydrophobicContact CD1-CB 4.31Å; I179-A230 HydrophobicContact CG1-CB 4.28Å; I179-A230 HydrophobicContact CG2-CB 3.53Å; I179-I231 HydrophobicContact CD1-CG1 4.12Å; I179-E234 HydrophobicContact CD1-CB 3.93Å; I179-E234 HydrophobicContact CD1-CG 4.19Å | ||
| 180 | R | 93.7 | Very high | 91.8 | Very high | 200 Ų | 200 | 63 Ų | 63 | 76% | 0.755 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 142.1 | -179.2 | -58.9 | 179.3 | -174.9 | 172.4 | 1 | 111.3 | A172 P178 | A172-R180 CarbonylContact O-C 3.52Å; A172-R180 WeakPolarHBondContact O-CA 3.12Å; P178-R180 PolarHBondContact O-N 2.92Å |
| 181 | K | 95.2 | Very high | 91.1 | Very high | 101 Ų | 101 | 63.3 Ų | 63.3 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 148.9 | 174.6 | -162.6 | 68.5 | 173.5 | -174.7 | 0 | 109.7 | A171 A172 L223 I227 | A171-K181 CarbonylContact C-O 3.54Å; A171-K181 WeakPolarHBondContact CA-O 3.15Å; A172-K181 PolarHBondContact N-O 2.82Å; A172-K181 PolarHBondContact O-N 3.34Å; K181-L223 HydrophobicContact CB-CD1 4.11Å; K181-L223 HydrophobicContact CG-CD1 4.13Å; K181-I227 HydrophobicContact CB-CD1 3.49Å; K181-I227 VanDerWaalsContact CB-CD1 3.49Å; K181-I227 HydrophobicContact CB-CG1 3.76Å |
| 182 | Q | 94.6 | Very high | 89.9 | Confident | 136 Ų | 136 | 63.5 Ų | 63.5 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 144.9 | 176.1 | 62.2 | -179 | -5.2 | 0 | 0 | 110.7 | I170 | I170-Q182 CarbonylContact O-C 3.56Å; I170-Q182 WeakPolarHBondContact O-CA 3.39Å |
| 183 | L | 94.8 | Very high | 88.3 | Confident | 13 Ų | 13 | 71 Ų | 71 | 7% | 0.068 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 124.8 | 175.9 | 177.8 | 65.1 | 0 | 0 | 0 | 108.8 | I170 L185 R218 I219 K222 L223 | I170-L183 PolarHBondContact N-O 3.45Å; I170-L183 PolarHBondContact O-N 3.3Å; L183-L185 HydrophobicContact CD1-CD2 4.15Å; L183-L185 HydrophobicContact CD2-CD1 4.2Å; L183-L185 HydrophobicContact CD2-CD2 4.04Å; L183-L185 HydrophobicContact CD2-CG 4.21Å; L183-L185 HydrophobicContact CG-CD2 3.95Å; L183-L185 HydrophobicContact CG-CG 4.05Å; L183-R218 HydrophobicContact CD2-CB 4.5Å; L183-R218 WeakPolarHBondContact CD2-O 3.36Å; L183-I219 HydrophobicContact CD2-CG1 4.17Å; L183-K222 HydrophobicContact CD1-CB 4.12Å; L183-K222 HydrophobicContact CD1-CD 4.47Å; L183-L223 HydrophobicContact CB-CB 4.17Å; L183-L223 HydrophobicContact CB-CD1 4.03Å; L183-L223 HydrophobicContact CB-CD2 4.46Å; L183-L223 HydrophobicContact CB-CG 4.46Å; L183-L223 HydrophobicContact CD2-CB 4.1Å |
| 184 | I | 93.7 | Very high | 86.5 | Confident | 97 Ų | 97 | 72.7 Ų | 72.7 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.9 | 177.5 | -54.6 | 176.5 | 0 | 0 | 0 | 108.3 | M167 | M167-I184 HydrophobicContact CB-CG2 4.27Å; M167-I184 HydrophobicContact CE-CG2 3.37Å |
| 185 | L | 92.7 | Very high | 84.5 | Confident | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.016 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.9 | -177.5 | -61.2 | 176.4 | 0 | 0 | 0 | 110.1 | M113 M167 T168 I170 L183 T187 Y190 L215 R218 I219 | M113-L185 HydrophobicContact CE-CD1 3.67Å; M167-L185 CarbonylContact C-O 3.53Å; M167-L185 WeakPolarHBondContact CA-O 3.28Å; T168-L185 PolarHBondContact N-O 2.65Å; T168-L185 PolarHBondContact O-N 2.89Å; I170-L185 HydrophobicContact CD1-CD1 3.95Å; L183-L185 HydrophobicContact CD1-CD2 4.15Å; L183-L185 HydrophobicContact CD2-CD1 4.2Å; L183-L185 HydrophobicContact CD2-CD2 4.04Å; L183-L185 HydrophobicContact CD2-CG 4.21Å; L183-L185 HydrophobicContact CG-CD2 3.95Å; L183-L185 HydrophobicContact CG-CG 4.05Å; L185-T187 PolarHBondContact O-N 3.41Å; L185-Y190 HydrophobicContact CB-CD2 4.23Å; L185-Y190 HydrophobicContact CB-CE2 3.93Å; L185-Y190 HydrophobicContact CD2-CE2 3.87Å; L185-Y190 HydrophobicContact CG-CE2 4.32Å; L185-L215 HydrophobicContact CD1-CD1 3.64Å; L185-R218 HydrophobicContact CD2-CB 4.24Å; L185-I219 HydrophobicContact CD1-CG1 4.34Å |
| 186 | Q | 90.2 | Very high | 82.6 | Confident | 106 Ų | 106 | 79.8 Ų | 79.8 | 50% | 0.495 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 112.3 | 169.7 | -72.6 | -179.2 | -0.5 | 0 | 0 | 109.1 | M167 K188 I189 Y190 | M167-Q186 HydrophobicContact CE-CG 3.62Å; M167-Q186 HydrophobicContact SD-CB 4.39Å; M167-Q186 HydrophobicContact SD-CG 3.53Å; M167-Q186 VanDerWaalsContact SD-CG 3.53Å; Q186-K188 PolarHBondContact O-N 3.01Å; Q186-I189 HydrophobicContact CB-CB 4.48Å; Q186-I189 HydrophobicContact CB-CD1 3.85Å; Q186-I189 HydrophobicContact CB-CG1 3.88Å; Q186-I189 HydrophobicContact CG-CD1 4.45Å; Q186-I189 WeakPolarHBondContact O-CB 3.4Å; Q186-I189 PolarHBondContact O-N 3.4Å; Q186-I189 VanDerWaalsContact OE1-CD1 3.24Å; Q186-Y190 VanDerWaalsContact O-CD2 3.3Å; Q186-Y190 WeakPolarHBondContact O-CD2 3.08Å |
| 187 | T | 85.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.5 | -36.7 | -174 | -41.2 | 0 | 0 | 0 | 0 | 111.9 | N166 T168 L185 I189 Y190 L191 | N166-T187 PolarHBondContact O-N 3.44Å; N166-T187 PolarHBondContact O-OG1 2.85Å; N166-T187 VanDerWaalsContact O-OG1 3.14Å; T168-T187 PolarHBondContact N-OG1 2.74Å; T168-T187 PolarHBondContact OG1-OG1 3.4Å; L185-T187 PolarHBondContact O-N 3.41Å; T187-I189 VanDerWaalsContact C-N 3.26Å; T187-I189 PolarHBondContact O-N 3.28Å; T187-Y190 PolarHBondContact O-N 3.48Å; T187-Y190 VanDerWaalsContact O-N 3.15Å; T187-L191 HydrophobicContact CG2-CB 4.42Å; T187-L191 HydrophobicContact CG2-CD1 3.65Å; T187-L191 HydrophobicContact CG2-CG 4.15Å; T187-L191 PolarHBondContact O-N 2.93Å |
| 188 | K | 84.7 | Confident | 79 | Confident | 128 Ų | 128 | 75.6 Ų | 75.6 | 56% | 0.557 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.9 | -23.1 | 178.8 | -70.3 | 179.3 | 169.8 | 171.3 | 0 | 114.8 | N166 Q186 Y190 | N166-K188 HydrophobicContact CB-CD 4.42Å; N166-K188 VanDerWaalsContact CG-CE 3.48Å; N166-K188 PolarHBondContact ND2-NZ 2.6Å; N166-K188 WeakPolarHBondContact OD1-CE 3.29Å; Q186-K188 PolarHBondContact O-N 3.01Å; K188-Y190 VanDerWaalsContact C-N 3.34Å |
| 189 | I | 85.4 | Confident | 77.1 | Confident | 64 Ų | 64 | 76.1 Ų | 76.1 | 33% | 0.328 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73.6 | -33.1 | 177 | -66.1 | -175.9 | 0 | 0 | 0 | 110.6 | Q186 T187 R210 N211 | Q186-I189 HydrophobicContact CB-CB 4.48Å; Q186-I189 HydrophobicContact CB-CD1 3.85Å; Q186-I189 HydrophobicContact CB-CG1 3.88Å; Q186-I189 HydrophobicContact CG-CD1 4.45Å; Q186-I189 WeakPolarHBondContact O-CB 3.4Å; Q186-I189 PolarHBondContact O-N 3.4Å; Q186-I189 VanDerWaalsContact OE1-CD1 3.24Å; T187-I189 VanDerWaalsContact C-N 3.26Å; T187-I189 PolarHBondContact O-N 3.28Å; I189-R210 WeakPolarHBondContact O-CB 3.23Å; I189-N211 PolarHBondContact O-ND2 3.38Å |
| 190 | Y | 86.2 | Confident | 75.1 | Confident | 8 Ų | 8 | 79.9 Ų | 79.9 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -109.7 | -20.5 | -168.4 | -56.5 | -69 | 0 | 0 | 0 | 114 | L185 Q186 T187 K188 Y209 R210 L214 L215 | L185-Y190 HydrophobicContact CB-CD2 4.23Å; L185-Y190 HydrophobicContact CB-CE2 3.93Å; L185-Y190 HydrophobicContact CD2-CE2 3.87Å; L185-Y190 HydrophobicContact CG-CE2 4.32Å; Q186-Y190 VanDerWaalsContact O-CD2 3.3Å; Q186-Y190 WeakPolarHBondContact O-CD2 3.08Å; T187-Y190 PolarHBondContact O-N 3.48Å; T187-Y190 VanDerWaalsContact O-N 3.15Å; K188-Y190 VanDerWaalsContact C-N 3.34Å; Y190-Y209 CarbonylContact O-C 3.59Å; Y190-Y209 VanDerWaalsContact O-CA 3.23Å; Y190-Y209 WeakPolarHBondContact O-CA 3.38Å; Y190-R210 WeakPolarHBondContact CA-O 3.48Å; Y190-R210 PolarHBondContact O-N 3.37Å; Y190-L214 HydrophobicContact CE1-CB 4.4Å; Y190-L214 HydrophobicContact CE1-CD2 4.2Å; Y190-L214 HydrophobicContact CE1-CG 4.16Å; Y190-L215 HydrophobicContact CD1-CB 3.69Å; Y190-L215 HydrophobicContact CD1-CD1 3.98Å; Y190-L215 HydrophobicContact CD1-CG 4.3Å; Y190-L215 HydrophobicContact CD2-CD1 4.17Å; Y190-L215 HydrophobicContact CE1-CB 3.98Å; Y190-L215 HydrophobicContact CE1-CD1 4.23Å; Y190-L215 HydrophobicContact CE2-CD1 4.44Å; Y190-L215 HydrophobicContact CG-CB 4.38Å; Y190-L215 HydrophobicContact CG-CD1 3.93Å |
| 191 | L | 82.2 | Confident | 73.2 | Confident | 8 Ų | 8 | 71.8 Ų | 71.8 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -115.5 | 137.7 | 177.1 | -62.6 | -175.1 | 0 | 0 | 0 | 111.7 | L112 M113 T187 L208 Y209 | L112-L191 HydrophobicContact CB-CD1 3.98Å; L112-L191 HydrophobicContact CB-CD2 4.14Å; L112-L191 HydrophobicContact CD1-CD1 4.37Å; M113-L191 HydrophobicContact CG-CD1 4.07Å; M113-L191 HydrophobicContact SD-CD1 4.22Å; M113-L191 HydrophobicContact SD-CD2 4.27Å; M113-L191 HydrophobicContact SD-CG 4.03Å; T187-L191 HydrophobicContact CG2-CB 4.42Å; T187-L191 HydrophobicContact CG2-CD1 3.65Å; T187-L191 HydrophobicContact CG2-CG 4.15Å; T187-L191 PolarHBondContact O-N 2.93Å; L191-L208 CarbonylContact C-O 3.57Å; L191-L208 VanDerWaalsContact CA-O 3.31Å; L191-L208 WeakPolarHBondContact CA-O 3.35Å; L191-Y209 HydrophobicContact CD2-CD1 3.47Å; L191-Y209 VanDerWaalsContact CD2-CD1 3.47Å; L191-Y209 HydrophobicContact CD2-CE1 3.47Å; L191-Y209 VanDerWaalsContact CD2-CE1 3.47Å; L191-Y209 HydrophobicContact CD2-CG 4.35Å |
| 192 | I | 70.3 | Confident | 71.1 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 17% | 0.169 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -93.1 | 115.2 | 174.8 | -55.2 | -178.3 | 0 | 0 | 0 | 108.4 | N206 L207 L208 R210 | I192-N206 WeakPolarHBondContact CD1-O 3.31Å; I192-L207 VanDerWaalsContact CB-O 3.25Å; I192-L207 WeakPolarHBondContact CB-O 3.49Å; I192-L208 PolarHBondContact N-O 3.32Å; I192-R210 HydrophobicContact CD1-CG 3.74Å; I192-R210 HydrophobicContact CG1-CB 4.41Å; I192-R210 HydrophobicContact CG1-CG 3.47Å; I192-R210 VanDerWaalsContact CG1-CG 3.47Å |
| 193 | K | 62.2 | Low | 69 | Low | 160 Ų | 160 | 66.7 Ų | 66.7 | 70% | 0.696 | 35% | 0.354 | S | S | * | . | trans | 49.2 | 97.7 | 171.7 | -67.1 | -173.3 | 176.1 | -174.9 | 0 | 115.2 | D195 | K193-D195 VanDerWaalsContact C-N 3.26Å; K193-D195 PolarHBondContact O-N 3.2Å | ||
| 194 | Q | 57.7 | Low | 67.3 | Low | 67 Ų | 67 | 72.4 Ų | 72.4 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -29.6 | 176.8 | -66.2 | 175.4 | -14.3 | 0 | 0 | 112.9 | ||
| 195 | D | 53.8 | Low | 65.4 | Low | 161 Ų | 161 | 68.4 Ų | 68.4 | 86% | 0.861 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 2.4 | -164.7 | -51 | -41.4 | 0 | 0 | 0 | 115 | K193 | K193-D195 VanDerWaalsContact C-N 3.26Å; K193-D195 PolarHBondContact O-N 3.2Å |
| 196 | A | 49.6 | Very low | 63.6 | Low | 61 Ų | 61 | 72.8 Ų | 72.8 | 50% | 0.504 | 38% | 0.381 | S | S | . | . | trans | -135.6 | 25.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | C198 | A196-C198 PolarHBondContact O-N 3.43Š| ||
| 197 | I | 53.9 | Low | 62.3 | Low | 37 Ų | 37 | 71.3 Ų | 71.3 | 19% | 0.19 | 38% | 0.376 | C | S | . | . | trans | -78 | 80.6 | 177.9 | -52.8 | 176.8 | 0 | 0 | 0 | 109 | L112 V202 L208 | L112-I197 HydrophobicContact CD1-CD1 3.43Å; L112-I197 VanDerWaalsContact CD1-CD1 3.43Å; I197-V202 HydrophobicContact CG2-CG2 4.2Å; I197-L208 HydrophobicContact CD1-CD2 3.88Å; I197-L208 HydrophobicContact CG1-CD2 4.09Å; I197-L208 HydrophobicContact CG2-CD2 4.13Å | ||
| 198 | C | 51 | Low | 61.7 | Low | 87 Ų | 87 | 71.6 Ų | 71.6 | 59% | 0.588 | 38% | 0.378 | S | S | * | . | trans | -81.8 | 151.3 | 165 | -158.5 | 0 | 0 | 0 | 0 | 109.5 | A196 S200 T201 | A196-C198 PolarHBondContact O-N 3.43Å; C198-S200 PolarHBondContact O-N 3.43Å; C198-T201 WeakPolarHBondContact O-CB 3.48Å; C198-T201 PolarHBondContact O-N 3.41Å; C198-T201 PolarHBondContact O-OG1 2.82Å | ||
| 199 | Q | 51 | Low | 61.5 | Low | 113 Ų | 113 | 66.3 Ų | 66.3 | 53% | 0.528 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -50.6 | -29.1 | -175.2 | -86.9 | -179.9 | -43.8 | 0 | 0 | 114.7 | T201 V202 | Q199-T201 PolarHBondContact O-N 3.35Å; Q199-T201 VanDerWaalsContact O-N 3.16Å; Q199-V202 PolarHBondContact O-N 2.88Å |
| 200 | S | 49.7 | Very low | 61.1 | Low | 94 Ų | 94 | 69.5 Ų | 69.5 | 66% | 0.657 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.7 | -22.1 | 177.1 | 58 | 0 | 0 | 0 | 0 | 114 | C198 | C198-S200 PolarHBondContact O-N 3.43Å |
| 201 | T | 53.1 | Low | 60.8 | Low | 30 Ų | 30 | 73.2 Ų | 73.2 | 18% | 0.184 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -91.8 | -21.3 | -172.8 | -22.1 | 0 | 0 | 0 | 0 | 112.7 | C198 Q199 N203 K204 L207 | C198-T201 WeakPolarHBondContact O-CB 3.48Å; C198-T201 PolarHBondContact O-N 3.41Å; C198-T201 PolarHBondContact O-OG1 2.82Å; Q199-T201 PolarHBondContact O-N 3.35Å; Q199-T201 VanDerWaalsContact O-N 3.16Å; T201-N203 PolarHBondContact O-N 3.29Å; T201-K204 CarbonylContact O-C 3.58Å; T201-K204 PolarHBondContact O-N 3Å; T201-L207 HydrophobicContact CG2-CB 3.72Å; T201-L207 HydrophobicContact CG2-CD1 3.53Å; T201-L207 HydrophobicContact CG2-CG 4.28Å |
| 202 | V | 51.8 | Low | 60.8 | Low | 13 Ų | 13 | 73.3 Ų | 73.3 | 8% | 0.079 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.1 | -31.9 | -177.7 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | I98 Y107 I197 Q199 K204 | I98-V202 HydrophobicContact CG2-CG1 3.6Å; Y107-V202 HydrophobicContact CE2-CG2 4.44Å; I197-V202 HydrophobicContact CG2-CG2 4.2Å; Q199-V202 PolarHBondContact O-N 2.88Å; V202-K204 PolarHBondContact O-N 2.63Å; V202-K204 VanDerWaalsContact O-N 3.08Å |
| 203 | N | 50.1 | Low | 61.2 | Low | 117 Ų | 117 | 74.9 Ų | 74.9 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -2 | 176.1 | -68.1 | -8.1 | 0 | 0 | 0 | 114 | T201 | T201-N203 PolarHBondContact O-N 3.29Š|
| 204 | K | 58 | Low | 62.3 | Low | 134 Ų | 134 | 70.6 Ų | 70.6 | 58% | 0.583 | 37% | 0.371 | S | S | * | . | trans | -129.6 | 84.1 | 176 | -67.2 | 178.7 | -178.6 | 175.4 | 0 | 109.4 | T201 V202 N206 L207 | T201-K204 CarbonylContact O-C 3.58Å; T201-K204 PolarHBondContact O-N 3Å; V202-K204 PolarHBondContact O-N 2.63Å; V202-K204 VanDerWaalsContact O-N 3.08Å; K204-N206 PolarHBondContact O-N 3.24Å; K204-L207 HydrophobicContact CB-CB 4.36Å; K204-L207 HydrophobicContact CB-CD1 3.68Å; K204-L207 HydrophobicContact CB-CG 3.8Å; K204-L207 HydrophobicContact CD-CD1 3.74Å; K204-L207 HydrophobicContact CD-CG 4.47Å; K204-L207 HydrophobicContact CG-CD1 4.34Å; K204-L207 WeakPolarHBondContact O-CA 3.3Å; K204-L207 WeakPolarHBondContact O-CB 3.42Å; K204-L207 PolarHBondContact O-N 2.68Å | ||
| 205 | L | 54.8 | Low | 63.7 | Low | 12 Ų | 12 | 67.4 Ų | 67.4 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -52.9 | -28.8 | 174.8 | -88.7 | 167.9 | 0 | 0 | 0 | 115 | I94 F95 I98 L207 L208 Y209 | I94-L205 HydrophobicContact CB-CD1 4.48Å; I94-L205 HydrophobicContact CG2-CD1 4.13Å; I94-L205 HydrophobicContact CG2-CD2 3.77Å; F95-L205 VanDerWaalsContact CA-CD1 3.46Å; F95-L205 HydrophobicContact CB-CD1 3.43Å; F95-L205 VanDerWaalsContact CB-CD1 3.43Å; F95-L205 HydrophobicContact CD2-CD1 3.71Å; F95-L205 HydrophobicContact CD2-CG 4.26Å; F95-L205 HydrophobicContact CG-CD1 4.04Å; I98-L205 HydrophobicContact CD1-CD2 3.65Å; L205-L207 PolarHBondContact O-N 3.19Å; L205-L208 HydrophobicContact CD2-CB 4.41Å; L205-L208 HydrophobicContact CD2-CD1 3.99Å; L205-L208 PolarHBondContact O-N 2.81Å; L205-Y209 HydrophobicContact CD2-CD2 3.7Å; L205-Y209 HydrophobicContact CD2-CE2 3.58Å; L205-Y209 PolarHBondContact O-N 3.27Å; L205-Y209 VanDerWaalsContact O-N 3.08Å |
| 206 | N | 55.6 | Low | 65.3 | Low | 95 Ų | 95 | 59.7 Ų | 59.7 | 51% | 0.508 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -60.3 | -14.5 | 173 | -60.2 | -16.4 | 0 | 0 | 0 | 112.5 | I192 K204 | I192-N206 WeakPolarHBondContact CD1-O 3.31Å; K204-N206 PolarHBondContact O-N 3.24Å |
| 207 | L | 62.1 | Low | 66.9 | Low | 76 Ų | 76 | 59 Ų | 59 | 40% | 0.398 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -100.4 | -2.1 | 174 | -57.1 | -179.6 | 0 | 0 | 0 | 113.2 | I192 T201 K204 L205 | I192-L207 VanDerWaalsContact CB-O 3.25Å; I192-L207 WeakPolarHBondContact CB-O 3.49Å; T201-L207 HydrophobicContact CG2-CB 3.72Å; T201-L207 HydrophobicContact CG2-CD1 3.53Å; T201-L207 HydrophobicContact CG2-CG 4.28Å; K204-L207 HydrophobicContact CB-CB 4.36Å; K204-L207 HydrophobicContact CB-CD1 3.68Å; K204-L207 HydrophobicContact CB-CG 3.8Å; K204-L207 HydrophobicContact CD-CD1 3.74Å; K204-L207 HydrophobicContact CD-CG 4.47Å; K204-L207 HydrophobicContact CG-CD1 4.34Å; K204-L207 WeakPolarHBondContact O-CA 3.3Å; K204-L207 WeakPolarHBondContact O-CB 3.42Å; K204-L207 PolarHBondContact O-N 2.68Å; L205-L207 PolarHBondContact O-N 3.19Å |
| 208 | L | 73.8 | Confident | 68.5 | Low | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -47.3 | 177.1 | -67.8 | 178.4 | 0 | 0 | 0 | 111.3 | L191 I192 I197 L205 | L191-L208 CarbonylContact C-O 3.57Å; L191-L208 VanDerWaalsContact CA-O 3.31Å; L191-L208 WeakPolarHBondContact CA-O 3.35Å; I192-L208 PolarHBondContact N-O 3.32Å; I197-L208 HydrophobicContact CD1-CD2 3.88Å; I197-L208 HydrophobicContact CG1-CD2 4.09Å; I197-L208 HydrophobicContact CG2-CD2 4.13Å; L205-L208 HydrophobicContact CD2-CB 4.41Å; L205-L208 HydrophobicContact CD2-CD1 3.99Å; L205-L208 PolarHBondContact O-N 2.81Å |
| 209 | Y | 79.1 | Confident | 70.4 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -108.9 | 141.2 | -177.5 | -59.9 | -85.2 | 0 | 0 | 0 | 112.6 | I94 I98 L112 P116 Y190 L191 L205 L212 | I94-Y209 HydrophobicContact CG2-CE2 3.84Å; I98-Y209 HydrophobicContact CD1-CE2 4.21Å; L112-Y209 WeakPolarHBondContact O-CE1 3.36Å; L112-Y209 PolarHBondContact O-OH 2.81Å; P116-Y209 HydrophobicContact CG-CD1 4.24Å; P116-Y209 HydrophobicContact CG-CE1 3.5Å; P116-Y209 VanDerWaalsContact CG-CE1 3.5Å; Y190-Y209 CarbonylContact O-C 3.59Å; Y190-Y209 VanDerWaalsContact O-CA 3.23Å; Y190-Y209 WeakPolarHBondContact O-CA 3.38Å; L191-Y209 HydrophobicContact CD2-CD1 3.47Å; L191-Y209 VanDerWaalsContact CD2-CD1 3.47Å; L191-Y209 HydrophobicContact CD2-CE1 3.47Å; L191-Y209 VanDerWaalsContact CD2-CE1 3.47Å; L191-Y209 HydrophobicContact CD2-CG 4.35Å; L205-Y209 HydrophobicContact CD2-CD2 3.7Å; L205-Y209 HydrophobicContact CD2-CE2 3.58Å; L205-Y209 PolarHBondContact O-N 3.27Å; L205-Y209 VanDerWaalsContact O-N 3.08Å; Y209-L212 HydrophobicContact CD1-CD1 4.49Å; Y209-L212 HydrophobicContact CG-CD1 4.42Å |
| 210 | R | 77.2 | Confident | 72.2 | Confident | 132 Ų | 132 | 52.1 Ų | 52.1 | 50% | 0.498 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -110.1 | 143.8 | 165.9 | -86.8 | 168.9 | -176 | 179.9 | 6.5 | 109.4 | I189 Y190 I192 L212 | I189-R210 WeakPolarHBondContact O-CB 3.23Å; Y190-R210 WeakPolarHBondContact CA-O 3.48Å; Y190-R210 PolarHBondContact O-N 3.37Å; I192-R210 HydrophobicContact CD1-CG 3.74Å; I192-R210 HydrophobicContact CG1-CB 4.41Å; I192-R210 HydrophobicContact CG1-CG 3.47Å; I192-R210 VanDerWaalsContact CG1-CG 3.47Å; R210-L212 VanDerWaalsContact C-N 3.27Å; R210-L212 PolarHBondContact O-N 3.32Å |
| 211 | N | 79.9 | Confident | 73.9 | Confident | 86 Ų | 86 | 50 Ų | 50 | 46% | 0.46 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 52.4 | 43.7 | 171.7 | -53.8 | -48.5 | 0 | 0 | 0 | 113 | I189 R213 L214 L215 | I189-N211 PolarHBondContact O-ND2 3.38Å; N211-R213 PolarHBondContact O-N 2.76Å; N211-L214 HydrophobicContact CB-CB 4.01Å; N211-L214 HydrophobicContact CB-CD2 4.47Å; N211-L214 WeakPolarHBondContact O-CA 3.43Å; N211-L214 WeakPolarHBondContact O-CB 3.3Å; N211-L214 PolarHBondContact O-N 2.74Å; N211-L215 PolarHBondContact O-N 2.91Å |
| 212 | L | 81.9 | Confident | 75.6 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.6 | -36 | -174.3 | -176.9 | 66.5 | 0 | 0 | 0 | 112.2 | L90 T91 I94 F120 Y209 R210 L214 L215 A216 | L90-L212 HydrophobicContact CB-CD2 3.68Å; L90-L212 HydrophobicContact CB-CG 4.29Å; T91-L212 HydrophobicContact CG2-CD2 3.7Å; I94-L212 HydrophobicContact CD1-CD1 3.61Å; I94-L212 HydrophobicContact CD1-CD2 3.57Å; I94-L212 HydrophobicContact CD1-CG 4.17Å; F120-L212 HydrophobicContact CZ-CD1 4.21Å; Y209-L212 HydrophobicContact CD1-CD1 4.49Å; Y209-L212 HydrophobicContact CG-CD1 4.42Å; R210-L212 VanDerWaalsContact C-N 3.27Å; R210-L212 PolarHBondContact O-N 3.32Å; L212-L214 VanDerWaalsContact C-N 3.35Å; L212-L214 PolarHBondContact O-N 2.86Å; L212-L215 HydrophobicContact CD1-CD2 4.18Å; L212-L215 WeakPolarHBondContact O-CB 3.33Å; L212-L215 PolarHBondContact O-N 2.89Å; L212-A216 WeakPolarHBondContact O-CB 3.36Å; L212-A216 PolarHBondContact O-N 2.8Å |
| 213 | R | 80.1 | Confident | 77.5 | Confident | 65 Ų | 65 | 52.9 Ų | 52.9 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59 | -45 | 172.9 | -178.7 | 177.5 | 174.1 | -176.8 | -2.7 | 111.9 | L90 N211 L215 A216 I217 E253 | L90-R213 HydrophobicContact CD1-CB 4.19Å; N211-R213 PolarHBondContact O-N 2.76Å; R213-L215 VanDerWaalsContact C-N 3.31Å; R213-L215 PolarHBondContact O-N 3.14Å; R213-A216 PolarHBondContact O-N 2.79Å; R213-I217 HydrophobicContact CG-CD1 4.02Å; R213-I217 VanDerWaalsContact O-CG1 3.29Å; R213-I217 WeakPolarHBondContact O-CG1 3.45Å; R213-I217 PolarHBondContact O-N 3.19Å; R213-E253 IonicContact NH2-OE1 3.32Å; R213-E253 IonicContact NH2-OE2 2.98Å; R213-E253 PolarHBondContact NH2-OE2 2.86Å |
| 214 | L | 83.5 | Confident | 79.5 | Confident | 70 Ų | 70 | 47.3 Ų | 47.3 | 37% | 0.366 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65 | -38.5 | 176.7 | -177.8 | 63.3 | 0 | 0 | 0 | 111.1 | Y190 N211 L212 R218 | Y190-L214 HydrophobicContact CE1-CB 4.4Å; Y190-L214 HydrophobicContact CE1-CD2 4.2Å; Y190-L214 HydrophobicContact CE1-CG 4.16Å; N211-L214 HydrophobicContact CB-CB 4.01Å; N211-L214 HydrophobicContact CB-CD2 4.47Å; N211-L214 WeakPolarHBondContact O-CA 3.43Å; N211-L214 WeakPolarHBondContact O-CB 3.3Å; N211-L214 PolarHBondContact O-N 2.74Å; L212-L214 VanDerWaalsContact C-N 3.35Å; L212-L214 PolarHBondContact O-N 2.86Å; L214-R218 HydrophobicContact CD1-CG 4.36Å; L214-R218 HydrophobicContact CG-CG 4.42Å; L214-R218 WeakPolarHBondContact O-CB 3.34Å; L214-R218 WeakPolarHBondContact O-CG 3.44Å; L214-R218 PolarHBondContact O-N 2.79Å |
| 215 | L | 87.8 | Confident | 81 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -46.6 | 174.5 | -176.9 | 60.3 | 0 | 0 | 0 | 111.2 | M113 P116 F120 L185 Y190 N211 L212 R213 R218 I219 | M113-L215 HydrophobicContact CE-CD1 3.73Å; M113-L215 HydrophobicContact CE-CD2 4.3Å; M113-L215 HydrophobicContact SD-CD2 4.48Å; P116-L215 HydrophobicContact CB-CD2 4Å; P116-L215 HydrophobicContact CG-CD2 3.99Å; F120-L215 HydrophobicContact CE2-CG 4.44Å; L185-L215 HydrophobicContact CD1-CD1 3.64Å; Y190-L215 HydrophobicContact CD1-CB 3.69Å; Y190-L215 HydrophobicContact CD1-CD1 3.98Å; Y190-L215 HydrophobicContact CD1-CG 4.3Å; Y190-L215 HydrophobicContact CD2-CD1 4.17Å; Y190-L215 HydrophobicContact CE1-CB 3.98Å; Y190-L215 HydrophobicContact CE1-CD1 4.23Å; Y190-L215 HydrophobicContact CE2-CD1 4.44Å; Y190-L215 HydrophobicContact CG-CB 4.38Å; Y190-L215 HydrophobicContact CG-CD1 3.93Å; N211-L215 PolarHBondContact O-N 2.91Å; L212-L215 HydrophobicContact CD1-CD2 4.18Å; L212-L215 WeakPolarHBondContact O-CB 3.33Å; L212-L215 PolarHBondContact O-N 2.89Å; R213-L215 VanDerWaalsContact C-N 3.31Å; R213-L215 PolarHBondContact O-N 3.14Å; L215-R218 PolarHBondContact O-N 3.45Å; L215-I219 HydrophobicContact CD1-CD1 3.69Å; L215-I219 HydrophobicContact CD1-CG1 4.1Å; L215-I219 HydrophobicContact CG-CD1 3.88Å; L215-I219 WeakPolarHBondContact O-CG1 3.48Å; L215-I219 PolarHBondContact O-N 3.14Å |
| 216 | A | 87.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.9 | -50.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L90 F120 L212 R213 R218 I219 K220 | L90-A216 HydrophobicContact CD1-CB 4.34Å; F120-A216 HydrophobicContact CD2-CB 4.43Å; F120-A216 HydrophobicContact CE1-CB 3.88Å; F120-A216 VanDerWaalsContact CE2-CA 3.43Å; F120-A216 HydrophobicContact CE2-CB 3.82Å; F120-A216 HydrophobicContact CZ-CB 3.5Å; L212-A216 WeakPolarHBondContact O-CB 3.36Å; L212-A216 PolarHBondContact O-N 2.8Å; R213-A216 PolarHBondContact O-N 2.79Å; A216-R218 VanDerWaalsContact C-N 3.34Å; A216-R218 PolarHBondContact O-N 2.71Å; A216-I219 PolarHBondContact O-N 2.96Å; A216-K220 VanDerWaalsContact O-CB 3.24Å; A216-K220 WeakPolarHBondContact O-CB 3.24Å; A216-K220 VanDerWaalsContact O-CG 3.3Å; A216-K220 WeakPolarHBondContact O-CG 3.32Å; A216-K220 PolarHBondContact O-N 3.33Å |
| 217 | I | 83.6 | Confident | 84.4 | Confident | 47 Ų | 47 | 38.3 Ų | 38.3 | 24% | 0.241 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.6 | -48.2 | 176 | -69.4 | 166.8 | 0 | 0 | 0 | 110.6 | R213 I219 D221 | R213-I217 HydrophobicContact CG-CD1 4.02Å; R213-I217 VanDerWaalsContact O-CG1 3.29Å; R213-I217 WeakPolarHBondContact O-CG1 3.45Å; R213-I217 PolarHBondContact O-N 3.19Å; I217-I219 PolarHBondContact O-N 3.23Å; I217-D221 WeakPolarHBondContact CG2-OD2 3.25Å; I217-D221 WeakPolarHBondContact O-CB 3.35Å; I217-D221 PolarHBondContact O-N 2.86Å |
| 218 | R | 88.5 | Confident | 85.8 | Confident | 89 Ų | 89 | 34.8 Ų | 34.8 | 34% | 0.336 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.8 | -46.3 | -178.7 | -72.4 | -79.3 | -177.6 | 140.9 | 0.9 | 112 | L183 L185 L214 L215 A216 K222 | L183-R218 HydrophobicContact CD2-CB 4.5Å; L183-R218 WeakPolarHBondContact CD2-O 3.36Å; L185-R218 HydrophobicContact CD2-CB 4.24Å; L214-R218 HydrophobicContact CD1-CG 4.36Å; L214-R218 HydrophobicContact CG-CG 4.42Å; L214-R218 WeakPolarHBondContact O-CB 3.34Å; L214-R218 WeakPolarHBondContact O-CG 3.44Å; L214-R218 PolarHBondContact O-N 2.79Å; L215-R218 PolarHBondContact O-N 3.45Å; A216-R218 VanDerWaalsContact C-N 3.34Å; A216-R218 PolarHBondContact O-N 2.71Å; R218-K222 WeakPolarHBondContact O-CB 3.15Å; R218-K222 PolarHBondContact O-N 3.21Å; R218-K222 VanDerWaalsContact O-N 3.14Å |
| 219 | I | 90.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.9 | -50.1 | -179.2 | -69.4 | 176.3 | 0 | 0 | 0 | 110.8 | L117 F120 I170 L183 L185 L215 A216 I217 L223 I224 | L117-I219 HydrophobicContact CB-CD1 4.45Å; L117-I219 HydrophobicContact CD1-CG2 3.51Å; F120-I219 HydrophobicContact CB-CG2 4.32Å; F120-I219 HydrophobicContact CD2-CB 4.02Å; F120-I219 HydrophobicContact CD2-CD1 4.03Å; F120-I219 HydrophobicContact CD2-CG2 3.99Å; F120-I219 HydrophobicContact CE2-CD1 4.19Å; I170-I219 HydrophobicContact CD1-CD1 4.19Å; I170-I219 HydrophobicContact CD1-CG1 4.31Å; L183-I219 HydrophobicContact CD2-CG1 4.17Å; L185-I219 HydrophobicContact CD1-CG1 4.34Å; L215-I219 HydrophobicContact CD1-CD1 3.69Å; L215-I219 HydrophobicContact CD1-CG1 4.1Å; L215-I219 HydrophobicContact CG-CD1 3.88Å; L215-I219 WeakPolarHBondContact O-CG1 3.48Å; L215-I219 PolarHBondContact O-N 3.14Å; A216-I219 PolarHBondContact O-N 2.96Å; I217-I219 PolarHBondContact O-N 3.23Å; I219-L223 VanDerWaalsContact O-CB 3.31Å; I219-L223 WeakPolarHBondContact O-CB 3.14Å; I219-L223 PolarHBondContact O-N 3.01Å; I219-I224 HydrophobicContact CG2-CD1 3.63Å; I219-I224 HydrophobicContact CG2-CG1 4.05Å; I219-I224 PolarHBondContact O-N 3.47Å |
| 220 | K | 88.2 | Confident | 87.2 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -63.9 | -49.8 | -177.6 | -68 | -178.1 | -174.3 | -178.5 | 0 | 111.2 | F120 D123 A216 E225 P247 E249 | F120-K220 HydrophobicContact CB-CG 3.98Å; F120-K220 HydrophobicContact CG-CG 4.33Å; D123-K220 WeakPolarHBondContact OD2-CE 3.15Å; D123-K220 IonicContact OD2-NZ 2.73Å; D123-K220 PolarHBondContact OD2-NZ 2.94Å; A216-K220 VanDerWaalsContact O-CB 3.24Å; A216-K220 WeakPolarHBondContact O-CB 3.24Å; A216-K220 VanDerWaalsContact O-CG 3.3Å; A216-K220 WeakPolarHBondContact O-CG 3.32Å; A216-K220 PolarHBondContact O-N 3.33Å; K220-E225 VanDerWaalsContact O-CB 3.27Å; K220-E225 WeakPolarHBondContact O-CB 3.41Å; K220-E225 PolarHBondContact O-N 3.49Å; K220-P247 HydrophobicContact CB-CG 4.35Å; K220-P247 HydrophobicContact CD-CB 3.94Å; K220-P247 HydrophobicContact CD-CG 4.45Å; K220-E249 IonicContact NZ-OE1 3.26Å; K220-E249 PolarHBondContact NZ-OE1 2.76Å; K220-E249 IonicContact NZ-OE2 2.74Å; K220-E249 PolarHBondContact NZ-OE2 2.75Å |
| 221 | D | 85.2 | Confident | 87.8 | Confident | 51 Ų | 51 | 31.7 Ų | 31.7 | 27% | 0.273 | 16% | 0.157 | S | C | . | . | I | π-helix | trans | -88.2 | -30.3 | -168.5 | -58.6 | -14.6 | 0 | 0 | 0 | 113.4 | I217 P226 P247 | I217-D221 WeakPolarHBondContact CG2-OD2 3.25Å; I217-D221 WeakPolarHBondContact O-CB 3.35Å; I217-D221 PolarHBondContact O-N 2.86Å; D221-P226 VanDerWaalsContact O-CD 3.25Å; D221-P226 WeakPolarHBondContact O-CD 3.46Å; D221-P226 VanDerWaalsContact O-CG 3.3Å; D221-P226 WeakPolarHBondContact O-CG 3.37Å; D221-P247 WeakPolarHBondContact OD1-CG 3.22Å |
| 222 | K | 88.7 | Confident | 88.4 | Confident | 102 Ų | 102 | 28 Ų | 28 | 44% | 0.443 | 14% | 0.138 | S | C | . | . | I | π-helix | trans | -98.7 | -14.9 | -177.1 | -52.7 | -166.6 | 175 | -166.8 | 0 | 114.2 | L183 R218 | L183-K222 HydrophobicContact CD1-CB 4.12Å; L183-K222 HydrophobicContact CD1-CD 4.47Å; R218-K222 WeakPolarHBondContact O-CB 3.15Å; R218-K222 PolarHBondContact O-N 3.21Å; R218-K222 VanDerWaalsContact O-N 3.14Å |
| 223 | L | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -124 | -62.9 | -177.3 | -174.5 | 75.2 | 0 | 0 | 0 | 112.6 | L117 F159 I170 A172 K181 L183 I219 P226 I227 | L117-L223 HydrophobicContact CD1-CD2 4.29Å; F159-L223 HydrophobicContact CD1-CD2 4.01Å; F159-L223 HydrophobicContact CE1-CD2 4.03Å; F159-L223 HydrophobicContact CE1-CG 4.28Å; I170-L223 HydrophobicContact CB-CD2 3.93Å; I170-L223 HydrophobicContact CG2-CD2 3.32Å; A172-L223 HydrophobicContact CB-CD1 3.76Å; A172-L223 HydrophobicContact CB-CG 4.08Å; K181-L223 HydrophobicContact CB-CD1 4.11Å; K181-L223 HydrophobicContact CG-CD1 4.13Å; L183-L223 HydrophobicContact CB-CB 4.17Å; L183-L223 HydrophobicContact CB-CD1 4.03Å; L183-L223 HydrophobicContact CB-CD2 4.46Å; L183-L223 HydrophobicContact CB-CG 4.46Å; L183-L223 HydrophobicContact CD2-CB 4.1Å; I219-L223 VanDerWaalsContact O-CB 3.31Å; I219-L223 WeakPolarHBondContact O-CB 3.14Å; I219-L223 PolarHBondContact O-N 3.01Å; L223-P226 WeakPolarHBondContact O-CD 3.46Å; L223-I227 VanDerWaalsContact O-CG1 3.29Å; L223-I227 WeakPolarHBondContact O-CG1 3.13Å; L223-I227 PolarHBondContact O-N 3.33Å |
| 224 | I | 91.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -67.5 | -55.5 | -172.4 | -60.8 | 172.7 | 0 | 0 | 0 | 110.6 | L117 F120 A121 K124 L126 F159 I219 I227 L228 | L117-I224 HydrophobicContact CD1-CD1 4.29Å; F120-I224 HydrophobicContact CB-CD1 4.01Å; A121-I224 HydrophobicContact CB-CD1 4.3Å; K124-I224 HydrophobicContact CB-CG2 3.86Å; K124-I224 HydrophobicContact CG-CG2 3.92Å; L126-I224 HydrophobicContact CD1-CG2 4.44Å; F159-I224 HydrophobicContact CE1-CG1 4.15Å; F159-I224 HydrophobicContact CZ-CG1 4.1Å; I219-I224 HydrophobicContact CG2-CD1 3.63Å; I219-I224 HydrophobicContact CG2-CG1 4.05Å; I219-I224 PolarHBondContact O-N 3.47Å; I224-I227 PolarHBondContact O-N 3.36Å; I224-I227 VanDerWaalsContact O-N 3.16Å; I224-L228 HydrophobicContact CG2-CD1 3.66Å; I224-L228 HydrophobicContact CG2-CG 4.21Å; I224-L228 WeakPolarHBondContact O-CG 3.4Å; I224-L228 PolarHBondContact O-N 2.75Å |
| 225 | E | 88.7 | Confident | 89.4 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.056 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | -176.3 | -164 | 66.9 | -144.5 | 0 | 0 | 112.6 | K124 K220 I227 L228 L229 R240 L241 | K124-E225 WeakPolarHBondContact CE-OE2 3.39Å; K124-E225 IonicContact NZ-OE2 3.44Å; K124-E225 PolarHBondContact NZ-OE2 2.95Å; K220-E225 VanDerWaalsContact O-CB 3.27Å; K220-E225 WeakPolarHBondContact O-CB 3.41Å; K220-E225 PolarHBondContact O-N 3.49Å; E225-I227 VanDerWaalsContact C-N 3.31Å; E225-I227 PolarHBondContact O-N 3.47Å; E225-L228 PolarHBondContact O-N 3.34Å; E225-L228 VanDerWaalsContact O-N 3.17Å; E225-L229 HydrophobicContact CG-CD1 4.16Å; E225-L229 HydrophobicContact CG-CG 4.41Å; E225-L229 VanDerWaalsContact O-CG 3.31Å; E225-L229 WeakPolarHBondContact O-CG 3.47Å; E225-L229 PolarHBondContact O-N 3.29Å; E225-R240 VanDerWaalsContact OE1-CD 3.23Å; E225-R240 WeakPolarHBondContact OE1-CD 3.45Å; E225-R240 IonicContact OE1-NE 3.34Å; E225-R240 PolarHBondContact OE1-NE 3.18Å; E225-R240 IonicContact OE2-NE 3.97Å; E225-L241 HydrophobicContact CG-CD2 4.1Å |
| 226 | P | 90.8 | Very high | 89.4 | Confident | 37 Ų | 37 | 40 Ų | 40 | 24% | 0.24 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.7 | -36.6 | 175.6 | -27.6 | 37.8 | 0 | 0 | 0 | 114.2 | D221 L223 A230 | D221-P226 VanDerWaalsContact O-CD 3.25Å; D221-P226 WeakPolarHBondContact O-CD 3.46Å; D221-P226 VanDerWaalsContact O-CG 3.3Å; D221-P226 WeakPolarHBondContact O-CG 3.37Å; L223-P226 WeakPolarHBondContact O-CD 3.46Å; P226-A230 WeakPolarHBondContact O-CB 3.29Å; P226-A230 PolarHBondContact O-N 3.37Å |
| 227 | I | 92.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66 | -46 | 175 | -71.4 | -73.4 | 0 | 0 | 0 | 110.4 | V157 A172 V174 I179 K181 L223 I224 E225 L229 A230 I231 | V157-I227 HydrophobicContact CG1-CG2 4.05Å; A172-I227 HydrophobicContact CB-CD1 3.9Å; A172-I227 HydrophobicContact CB-CG1 3.68Å; V174-I227 HydrophobicContact CG2-CG2 4.12Å; I179-I227 HydrophobicContact CG2-CD1 3.89Å; K181-I227 HydrophobicContact CB-CD1 3.49Å; K181-I227 VanDerWaalsContact CB-CD1 3.49Å; K181-I227 HydrophobicContact CB-CG1 3.76Å; L223-I227 VanDerWaalsContact O-CG1 3.29Å; L223-I227 WeakPolarHBondContact O-CG1 3.13Å; L223-I227 PolarHBondContact O-N 3.33Å; I224-I227 PolarHBondContact O-N 3.36Å; I224-I227 VanDerWaalsContact O-N 3.16Å; E225-I227 VanDerWaalsContact C-N 3.31Å; E225-I227 PolarHBondContact O-N 3.47Å; I227-L229 VanDerWaalsContact C-N 3.31Å; I227-L229 PolarHBondContact O-N 3.05Å; I227-A230 PolarHBondContact O-N 3.3Å; I227-I231 HydrophobicContact CG2-CD1 4.04Å; I227-I231 WeakPolarHBondContact O-CG1 3.48Å; I227-I231 PolarHBondContact O-N 2.96Å |
| 228 | L | 91 | Very high | 89.4 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -38.2 | 179.9 | -60 | 177.2 | 0 | 0 | 0 | 111 | K124 L126 Y149 I224 E225 I231 H232 R240 | K124-L228 HydrophobicContact CB-CD1 4.25Å; L126-L228 HydrophobicContact CD1-CD2 4.48Å; L126-L228 HydrophobicContact CD2-CD2 4.03Å; L126-L228 HydrophobicContact CG-CD2 4.4Å; Y149-L228 HydrophobicContact CD2-CD2 3.72Å; Y149-L228 HydrophobicContact CE2-CD2 3.75Å; I224-L228 HydrophobicContact CG2-CD1 3.66Å; I224-L228 HydrophobicContact CG2-CG 4.21Å; I224-L228 WeakPolarHBondContact O-CG 3.4Å; I224-L228 PolarHBondContact O-N 2.75Å; E225-L228 PolarHBondContact O-N 3.34Å; E225-L228 VanDerWaalsContact O-N 3.17Å; L228-I231 HydrophobicContact CD2-CD1 4.16Å; L228-I231 WeakPolarHBondContact O-CB 3.06Å; L228-I231 PolarHBondContact O-N 3.45Å; L228-H232 PolarHBondContact O-CD2 2.97Å; L228-H232 PolarHBondContact O-N 3.19Å; L228-R240 VanDerWaalsContact CB-CD 3.45Å; L228-R240 VanDerWaalsContact CD1-CZ 3.4Å; L228-R240 VanDerWaalsContact CD1-NH2 3.29Å |
| 229 | L | 90.3 | Very high | 88.7 | Confident | 60 Ų | 60 | 43.9 Ų | 43.9 | 31% | 0.314 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 173 | -71 | 169.3 | 0 | 0 | 0 | 112.5 | E225 I227 I231 H232 S233 R240 L241 | E225-L229 HydrophobicContact CG-CD1 4.16Å; E225-L229 HydrophobicContact CG-CG 4.41Å; E225-L229 VanDerWaalsContact O-CG 3.31Å; E225-L229 WeakPolarHBondContact O-CG 3.47Å; E225-L229 PolarHBondContact O-N 3.29Å; I227-L229 VanDerWaalsContact C-N 3.31Å; I227-L229 PolarHBondContact O-N 3.05Å; L229-I231 VanDerWaalsContact C-N 3.32Å; L229-I231 PolarHBondContact O-N 3.04Å; L229-H232 PolarHBondContact O-N 3.18Å; L229-S233 PolarHBondContact O-N 3.07Å; L229-S233 PolarHBondContact O-OG 3.4Å; L229-R240 HydrophobicContact CD2-CB 3.84Å; L229-L241 HydrophobicContact CD1-CD1 4.13Å; L229-L241 HydrophobicContact CD2-CD1 4.1Å; L229-L241 HydrophobicContact CD2-CG 3.89Å |
| 230 | A | 91.1 | Very high | 88 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 24% | 0.24 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I179 P226 I227 S233 E234 | I179-A230 HydrophobicContact CD1-CB 4.31Å; I179-A230 HydrophobicContact CG1-CB 4.28Å; I179-A230 HydrophobicContact CG2-CB 3.53Å; P226-A230 WeakPolarHBondContact O-CB 3.29Å; P226-A230 PolarHBondContact O-N 3.37Å; I227-A230 PolarHBondContact O-N 3.3Å; A230-S233 WeakPolarHBondContact CA-OG 3.49Å; A230-S233 PolarHBondContact O-N 2.94Å; A230-S233 PolarHBondContact O-OG 3.16Å; A230-E234 VanDerWaalsContact O-CB 3.28Å; A230-E234 WeakPolarHBondContact O-CB 3.12Å; A230-E234 PolarHBondContact O-N 2.88Å |
| 231 | I | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 172.1 | -68.7 | 164.3 | 0 | 0 | 0 | 110.1 | Y149 I155 V157 V174 I179 I227 L228 L229 S233 E234 F235 L237 | Y149-I231 HydrophobicContact CD1-CG2 3.9Å; Y149-I231 HydrophobicContact CE1-CG2 4Å; I155-I231 HydrophobicContact CD1-CG2 3.64Å; I155-I231 HydrophobicContact CG2-CD1 4.11Å; V157-I231 HydrophobicContact CG2-CD1 3.8Å; V174-I231 HydrophobicContact CG2-CD1 3.81Å; V174-I231 HydrophobicContact CG2-CG1 3.79Å; I179-I231 HydrophobicContact CD1-CG1 4.12Å; I227-I231 HydrophobicContact CG2-CD1 4.04Å; I227-I231 WeakPolarHBondContact O-CG1 3.48Å; I227-I231 PolarHBondContact O-N 2.96Å; L228-I231 HydrophobicContact CD2-CD1 4.16Å; L228-I231 WeakPolarHBondContact O-CB 3.06Å; L228-I231 PolarHBondContact O-N 3.45Å; L229-I231 VanDerWaalsContact C-N 3.32Å; L229-I231 PolarHBondContact O-N 3.04Å; I231-S233 VanDerWaalsContact C-N 3.32Å; I231-S233 PolarHBondContact O-N 2.09Å; I231-E234 PolarHBondContact O-N 2.81Å; I231-F235 HydrophobicContact CG2-CD2 3.98Å; I231-F235 HydrophobicContact CG2-CE2 4.44Å; I231-F235 WeakPolarHBondContact O-CB 3.44Å; I231-F235 VanDerWaalsContact O-CD2 3.28Å; I231-F235 WeakPolarHBondContact O-CD2 3.27Å; I231-F235 PolarHBondContact O-N 3.22Å; I231-L237 HydrophobicContact CG2-CD1 4.27Å |
| 232 | H | 91.1 | Very high | 86.1 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 5% | 0.046 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 179.3 | -80.7 | -121.8 | 0 | 0 | 0 | 112.8 | Y149 Q151 L228 L229 N236 L237 S238 R240 | Y149-H232 AromaticContact CZ-NE2 3.62Å; Y149-H232 PolarHBondContact OH-NE2 3.3Å; Q151-H232 PolarHBondContact OE1-CE1 3.22Å; Q151-H232 PolarHBondContact OE1-NE2 2.93Å; L228-H232 PolarHBondContact O-CD2 2.97Å; L228-H232 PolarHBondContact O-N 3.19Å; L229-H232 PolarHBondContact O-N 3.18Å; H232-N236 WeakPolarHBondContact O-CA 3.24Å; H232-N236 PolarHBondContact O-N 2.82Å; H232-N236 VanDerWaalsContact O-N 3.09Å; H232-L237 HydrophobicContact CB-CB 4.19Å; H232-L237 PolarHBondContact O-N 2.94Å; H232-S238 PolarHBondContact CE1-O 3Å; H232-S238 VanDerWaalsContact CE1-O 3.3Å; H232-S238 PolarHBondContact ND1-O 2.97Å; H232-R240 PolarHBondContact NE2-NH1 3.05Å |
| 233 | S | 88.4 | Confident | 85.1 | Confident | 82 Ų | 82 | 50.2 Ų | 50.2 | 57% | 0.573 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -68.5 | -40.3 | 176.3 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | L229 A230 I231 | L229-S233 PolarHBondContact O-N 3.07Å; L229-S233 PolarHBondContact O-OG 3.4Å; A230-S233 WeakPolarHBondContact CA-OG 3.49Å; A230-S233 PolarHBondContact O-N 2.94Å; A230-S233 PolarHBondContact O-OG 3.16Å; I231-S233 VanDerWaalsContact C-N 3.32Å; I231-S233 PolarHBondContact O-N 2.09Å |
| 234 | E | 89.8 | Confident | 83.8 | Confident | 103 Ų | 103 | 50.7 Ų | 50.7 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.8 | -37.9 | -178.4 | -169 | 73.5 | -178.8 | 0 | 0 | 111.7 | I179 A230 I231 | I179-E234 HydrophobicContact CD1-CB 3.93Å; I179-E234 HydrophobicContact CD1-CG 4.19Å; A230-E234 VanDerWaalsContact O-CB 3.28Å; A230-E234 WeakPolarHBondContact O-CB 3.12Å; A230-E234 PolarHBondContact O-N 2.88Å; I231-E234 PolarHBondContact O-N 2.81Å |
| 235 | F | 88.8 | Confident | 82.6 | Confident | 60 Ų | 60 | 52.5 Ų | 52.5 | 26% | 0.263 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 9.3 | -176.2 | -70.3 | -92.4 | 0 | 0 | 0 | 113.9 | V152 I155 H177 I231 L237 | V152-F235 HydrophobicContact CG1-CE1 4.47Å; I155-F235 HydrophobicContact CD1-CD1 4.11Å; I155-F235 HydrophobicContact CD1-CD2 3.55Å; I155-F235 HydrophobicContact CD1-CE1 3.78Å; I155-F235 HydrophobicContact CD1-CE2 3.2Å; I155-F235 HydrophobicContact CD1-CG 3.98Å; I155-F235 HydrophobicContact CD1-CZ 3.28Å; I155-F235 HydrophobicContact CG1-CE1 4.2Å; I155-F235 HydrophobicContact CG1-CE2 4.03Å; I155-F235 HydrophobicContact CG1-CZ 3.68Å; H177-F235 AromaticContact CD2-CZ 3.92Å; H177-F235 AromaticContact CE1-CZ 3.47Å; H177-F235 VanDerWaalsContact CE1-CZ 3.47Å; H177-F235 WeakPolarHBondContact CE1-CZ 3.29Å; H177-F235 AromaticContact NE2-CZ 3.28Å; H177-F235 VanDerWaalsContact NE2-CZ 3.28Å; H177-F235 WeakPolarHBondContact NE2-CZ 3.22Å; I231-F235 HydrophobicContact CG2-CD2 3.98Å; I231-F235 HydrophobicContact CG2-CE2 4.44Å; I231-F235 WeakPolarHBondContact O-CB 3.44Å; I231-F235 VanDerWaalsContact O-CD2 3.28Å; I231-F235 WeakPolarHBondContact O-CD2 3.27Å; I231-F235 PolarHBondContact O-N 3.22Å; F235-L237 HydrophobicContact CB-CD1 4.18Å; F235-L237 HydrophobicContact CB-CD2 4.18Å; F235-L237 HydrophobicContact CB-CG 3.81Å; F235-L237 PolarHBondContact O-N 3.27Å; F235-L237 VanDerWaalsContact O-N 3.16Å |
| 236 | N | 87.4 | Confident | 81.6 | Confident | 151 Ų | 151 | 54 Ų | 54 | 81% | 0.807 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 39.2 | -176.9 | -65.5 | -54.4 | 0 | 0 | 0 | 113.4 | H232 | H232-N236 WeakPolarHBondContact O-CA 3.24Å; H232-N236 PolarHBondContact O-N 2.82Å; H232-N236 VanDerWaalsContact O-N 3.09Å |
| 237 | L | 86.9 | Confident | 80.6 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 160.6 | 177.4 | -55.5 | 176.3 | 0 | 0 | 0 | 110 | Y149 Q151 V152 I231 H232 F235 | Y149-L237 HydrophobicContact CE1-CD1 3.87Å; Q151-L237 HydrophobicContact CB-CD1 4.38Å; V152-L237 HydrophobicContact CG2-CD1 3.87Å; V152-L237 HydrophobicContact CG2-CD2 4.03Å; I231-L237 HydrophobicContact CG2-CD1 4.27Å; H232-L237 HydrophobicContact CB-CB 4.19Å; H232-L237 PolarHBondContact O-N 2.94Å; F235-L237 HydrophobicContact CB-CD1 4.18Å; F235-L237 HydrophobicContact CB-CD2 4.18Å; F235-L237 HydrophobicContact CB-CG 3.81Å; F235-L237 PolarHBondContact O-N 3.27Å; F235-L237 VanDerWaalsContact O-N 3.16Å |
| 238 | S | 83.4 | Confident | 79.5 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 52% | 0.524 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -54.2 | 147.5 | 174.9 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | H232 R240 | H232-S238 PolarHBondContact CE1-O 3Å; H232-S238 VanDerWaalsContact CE1-O 3.3Å; H232-S238 PolarHBondContact ND1-O 2.97Å; S238-R240 PolarHBondContact O-N 3.31Å |
| 239 | P | 74.9 | Confident | 78.4 | Confident | 96 Ų | 96 | 58.5 Ų | 58.5 | 62% | 0.623 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -49.1 | 132 | -177.5 | -28.4 | 34.6 | 0 | 0 | 0 | 111.9 | H242 | P239-H242 PolarHBondContact O-CE1 2.84Å; P239-H242 PolarHBondContact O-ND1 2.93Å; P239-H242 VanDerWaalsContact O-ND1 3.1Å |
| 240 | R | 74.8 | Confident | 77.4 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -74.8 | -41.6 | -179 | -166.5 | 173 | 173.6 | 79.2 | 7 | 111.8 | K124 Y149 E225 L228 L229 H232 S238 H242 T245 | K124-R240 PolarHBondContact O-NH2 3.06Å; Y149-R240 PolarHBondContact OH-NH1 2.86Å; E225-R240 VanDerWaalsContact OE1-CD 3.23Å; E225-R240 WeakPolarHBondContact OE1-CD 3.45Å; E225-R240 IonicContact OE1-NE 3.34Å; E225-R240 PolarHBondContact OE1-NE 3.18Å; E225-R240 IonicContact OE2-NE 3.97Å; L228-R240 VanDerWaalsContact CB-CD 3.45Å; L228-R240 VanDerWaalsContact CD1-CZ 3.4Å; L228-R240 VanDerWaalsContact CD1-NH2 3.29Å; L229-R240 HydrophobicContact CD2-CB 3.84Å; H232-R240 PolarHBondContact NE2-NH1 3.05Å; S238-R240 PolarHBondContact O-N 3.31Å; R240-H242 PolarHBondContact O-N 3.21Å; R240-H242 VanDerWaalsContact O-N 3.15Å; R240-H242 PolarHBondContact O-ND1 3.35Å; R240-T245 VanDerWaalsContact O-CB 3.26Å; R240-T245 WeakPolarHBondContact O-CB 3.2Å; R240-T245 WeakPolarHBondContact O-CG2 3.45Å; R240-T245 PolarHBondContact O-OG1 2.89Å |
| 241 | L | 66.5 | Low | 76.8 | Confident | 97 Ų | 97 | 57 Ų | 57 | 51% | 0.508 | 30% | 0.302 | S | S | . | . | trans | -76 | 105.7 | -173 | -65 | 171.3 | 0 | 0 | 0 | 110.9 | E225 L229 T245 | E225-L241 HydrophobicContact CG-CD2 4.1Å; L229-L241 HydrophobicContact CD1-CD1 4.13Å; L229-L241 HydrophobicContact CD2-CD1 4.1Å; L229-L241 HydrophobicContact CD2-CG 3.89Å; L241-T245 WeakPolarHBondContact CA-OG1 3.41Å | ||
| 242 | H | 66.7 | Low | 76.1 | Confident | 105 Ų | 105 | 57 Ų | 57 | 49% | 0.486 | 30% | 0.303 | S | S | . | . | trans | -130.1 | 162.4 | 168.1 | -62.5 | 95.8 | 0 | 0 | 0 | 106.9 | P239 R240 C244 T245 L246 | P239-H242 PolarHBondContact O-CE1 2.84Å; P239-H242 PolarHBondContact O-ND1 2.93Å; P239-H242 VanDerWaalsContact O-ND1 3.1Å; R240-H242 PolarHBondContact O-N 3.21Å; R240-H242 VanDerWaalsContact O-N 3.15Å; R240-H242 PolarHBondContact O-ND1 3.35Å; H242-C244 PolarHBondContact O-N 3.14Å; H242-T245 PolarHBondContact N-OG1 3.49Å; H242-T245 PolarHBondContact O-N 2.95Å; H242-T245 PolarHBondContact O-OG1 2.8Å; H242-L246 PolarHBondContact O-N 3.32Å | ||
| 243 | L | 68 | Low | 75.3 | Confident | 59 Ų | 59 | 59.8 Ų | 59.8 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -52.1 | -36.4 | 176.7 | -169.3 | 71.8 | 0 | 0 | 0 | 111.5 | T245 L246 F251 I254 L273 | L243-T245 PolarHBondContact O-N 3.38Å; L243-L246 HydrophobicContact CD1-CD1 4.01Å; L243-F251 HydrophobicContact CD1-CD2 4.45Å; L243-F251 HydrophobicContact CD2-CE2 4.21Å; L243-F251 HydrophobicContact CG-CD2 4.04Å; L243-F251 HydrophobicContact CG-CE2 3.85Å; L243-F251 WeakPolarHBondContact O-CD2 3.44Å; L243-I254 HydrophobicContact CD1-CD1 4.48Å; L243-I254 HydrophobicContact CD1-CG2 4.36Å; L243-L273 HydrophobicContact CD2-CD1 4.48Å; L243-L273 HydrophobicContact CD2-CD2 3.96Å; L243-L273 HydrophobicContact CG-CD2 4.44Å |
| 244 | C | 65.9 | Low | 74.9 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 7% | 0.068 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -69.3 | -21.4 | 175.4 | -61 | 0 | 0 | 0 | 0 | 114.8 | H242 E272 L273 R276 | H242-C244 PolarHBondContact O-N 3.14Å; C244-E272 WeakPolarHBondContact CB-OE1 3.43Å; C244-L273 WeakPolarHBondContact SG-CD2 3.44Å; C244-R276 PolarHBondContact O-NH1 3.41Å; C244-R276 PolarHBondContact O-NH2 2.91Å |
| 245 | T | 66.2 | Low | 74.6 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -98.1 | -4.6 | -177 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | K124 R240 L241 H242 L243 | K124-T245 PolarHBondContact NZ-O 2.79Å; R240-T245 VanDerWaalsContact O-CB 3.26Å; R240-T245 WeakPolarHBondContact O-CB 3.2Å; R240-T245 WeakPolarHBondContact O-CG2 3.45Å; R240-T245 PolarHBondContact O-OG1 2.89Å; L241-T245 WeakPolarHBondContact CA-OG1 3.41Å; H242-T245 PolarHBondContact N-OG1 3.49Å; H242-T245 PolarHBondContact O-N 2.95Å; H242-T245 PolarHBondContact O-OG1 2.8Å; L243-T245 PolarHBondContact O-N 3.38Å |
| 246 | L | 68.7 | Low | 74.2 | Confident | 43 Ų | 43 | 52.3 Ų | 52.3 | 23% | 0.225 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -57 | 143.6 | 171.2 | -65.4 | 179.3 | 0 | 0 | 0 | 110.7 | H242 L243 R248 F251 I254 | H242-L246 PolarHBondContact O-N 3.32Å; L243-L246 HydrophobicContact CD1-CD1 4.01Å; L246-R248 PolarHBondContact O-N 2.86Å; L246-F251 HydrophobicContact CB-CB 4.22Å; L246-I254 HydrophobicContact CD1-CD1 3.42Å; L246-I254 VanDerWaalsContact CD1-CD1 3.42Å |
| 247 | P | 68 | Low | 73.8 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | trans | -48.2 | 137.8 | 169.1 | -20.8 | 29.2 | 0 | 0 | 0 | 110.4 | K220 D221 E249 L250 F251 | K220-P247 HydrophobicContact CB-CG 4.35Å; K220-P247 HydrophobicContact CD-CB 3.94Å; K220-P247 HydrophobicContact CD-CG 4.45Å; D221-P247 WeakPolarHBondContact OD1-CG 3.22Å; P247-E249 WeakPolarHBondContact CB-OE2 3.18Å; P247-E249 PolarHBondContact O-N 3.44Å; P247-L250 HydrophobicContact CG-CD1 4.02Å; P247-L250 HydrophobicContact CG-CG 4.42Å; P247-L250 PolarHBondContact O-N 2.76Å; P247-F251 WeakPolarHBondContact O-CB 3.46Å; P247-F251 PolarHBondContact O-N 3.2Å | ||
| 248 | R | 69.4 | Low | 73.6 | Confident | 113 Ų | 113 | 54 Ų | 54 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -49 | -35.7 | -178.4 | 177.4 | 176.7 | 170.6 | 160.9 | -0.5 | 112.2 | E89 L246 C252 | E89-R248 IonicContact OE2-CZ 3.14Å; E89-R248 IonicContact OE2-NE 2.68Å; E89-R248 PolarHBondContact OE2-NE 3.46Å; E89-R248 IonicContact OE2-NH2 2.82Å; E89-R248 PolarHBondContact OE2-NH2 3.27Å; L246-R248 PolarHBondContact O-N 2.86Å; R248-C252 VanDerWaalsContact O-CB 3.29Å; R248-C252 WeakPolarHBondContact O-CB 3.41Å; R248-C252 PolarHBondContact O-N 3.33Å; R248-C252 PolarHBondContact O-SG 3.06Å; R248-C252 VanDerWaalsContact O-SG 3.4Å |
| 249 | E | 68.1 | Low | 73.5 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 7% | 0.065 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.9 | -49 | 179.5 | -51.7 | 83.2 | 172 | 0 | 0 | 111.6 | L90 K220 P247 E253 | L90-E249 HydrophobicContact CD1-CG 4.25Å; L90-E249 HydrophobicContact CD2-CG 4.25Å; L90-E249 WeakPolarHBondContact CD2-OE1 3.36Å; K220-E249 IonicContact NZ-OE1 3.26Å; K220-E249 PolarHBondContact NZ-OE1 2.76Å; K220-E249 IonicContact NZ-OE2 2.74Å; K220-E249 PolarHBondContact NZ-OE2 2.75Å; P247-E249 WeakPolarHBondContact CB-OE2 3.18Å; P247-E249 PolarHBondContact O-N 3.44Å; E249-E253 VanDerWaalsContact O-CB 3.24Å; E249-E253 WeakPolarHBondContact O-CB 3.46Å; E249-E253 PolarHBondContact O-N 3.43Å |
| 250 | L | 70.6 | Confident | 74 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 27% | 0.272 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.8 | -40.1 | 177.5 | -69.4 | -179.1 | 0 | 0 | 0 | 111.6 | P247 E253 I254 | P247-L250 HydrophobicContact CG-CD1 4.02Å; P247-L250 HydrophobicContact CG-CG 4.42Å; P247-L250 PolarHBondContact O-N 2.76Å; L250-E253 PolarHBondContact O-N 3.43Å; L250-I254 VanDerWaalsContact O-CG1 3.29Å; L250-I254 WeakPolarHBondContact O-CG1 3.23Å; L250-I254 PolarHBondContact O-N 3.47Å |
| 251 | F | 77.8 | Confident | 74.4 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 2% | 0.022 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -53.6 | 175.6 | 177.7 | -105 | 0 | 0 | 0 | 110.7 | L243 L246 P247 E253 I254 L255 L273 R276 I277 | L243-F251 HydrophobicContact CD1-CD2 4.45Å; L243-F251 HydrophobicContact CD2-CE2 4.21Å; L243-F251 HydrophobicContact CG-CD2 4.04Å; L243-F251 HydrophobicContact CG-CE2 3.85Å; L243-F251 WeakPolarHBondContact O-CD2 3.44Å; L246-F251 HydrophobicContact CB-CB 4.22Å; P247-F251 WeakPolarHBondContact O-CB 3.46Å; P247-F251 PolarHBondContact O-N 3.2Å; F251-E253 VanDerWaalsContact C-N 3.31Å; F251-E253 PolarHBondContact O-N 3.05Å; F251-I254 PolarHBondContact O-N 3.32Å; F251-L255 HydrophobicContact CD1-CD1 3.64Å; F251-L255 HydrophobicContact CD1-CG 4.49Å; F251-L255 HydrophobicContact CD2-CD1 4.24Å; F251-L255 HydrophobicContact CD2-CG 4.5Å; F251-L255 HydrophobicContact CE1-CD1 3.17Å; F251-L255 HydrophobicContact CE1-CG 4.32Å; F251-L255 HydrophobicContact CE2-CD1 3.85Å; F251-L255 HydrophobicContact CE2-CG 4.34Å; F251-L255 HydrophobicContact CG-CD1 4.17Å; F251-L255 HydrophobicContact CZ-CD1 3.33Å; F251-L255 HydrophobicContact CZ-CG 4.27Å; F251-L255 WeakPolarHBondContact O-CB 3.45Å; F251-L255 VanDerWaalsContact O-CG 3.23Å; F251-L255 WeakPolarHBondContact O-CG 3.35Å; F251-L255 PolarHBondContact O-N 2.88Å; F251-L273 HydrophobicContact CE2-CD2 3.8Å; F251-L273 HydrophobicContact CZ-CD2 3.94Å; F251-R276 HydrophobicContact CE1-CB 3.68Å; F251-R276 HydrophobicContact CZ-CB 3.81Å; F251-I277 HydrophobicContact CZ-CG1 4.27Å |
| 252 | C | 76.7 | Confident | 75.3 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 177 | -69.8 | 0 | 0 | 0 | 0 | 109.7 | R248 I254 L255 C256 C280 | R248-C252 VanDerWaalsContact O-CB 3.29Å; R248-C252 WeakPolarHBondContact O-CB 3.41Å; R248-C252 PolarHBondContact O-N 3.33Å; R248-C252 PolarHBondContact O-SG 3.06Å; R248-C252 VanDerWaalsContact O-SG 3.4Å; C252-I254 PolarHBondContact O-N 3.01Å; C252-L255 PolarHBondContact O-N 3.45Å; C252-C256 WeakPolarHBondContact O-CB 3.4Å; C252-C256 PolarHBondContact O-N 3.45Å; C252-C256 PolarHBondContact O-SG 3.44Å; C252-C280 WeakPolarHBondContact CB-SG 3.37Å; C252-C280 WeakPolarHBondContact SG-CB 3.12Å; C252-C280 CovalentContact SG-SG 2.09Å; C252-C280 PolarHBondContact SG-SG 3.5Å |
| 253 | E | 73.9 | Confident | 76.2 | Confident | 68 Ų | 68 | 48 Ų | 48 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.5 | -49.6 | 176.1 | -174.9 | 160.7 | -163.7 | 0 | 0 | 113.1 | R213 E249 L250 F251 L255 C256 Y257 | R213-E253 IonicContact NH2-OE1 3.32Å; R213-E253 IonicContact NH2-OE2 2.98Å; R213-E253 PolarHBondContact NH2-OE2 2.86Å; E249-E253 VanDerWaalsContact O-CB 3.24Å; E249-E253 WeakPolarHBondContact O-CB 3.46Å; E249-E253 PolarHBondContact O-N 3.43Å; L250-E253 PolarHBondContact O-N 3.43Å; F251-E253 VanDerWaalsContact C-N 3.31Å; F251-E253 PolarHBondContact O-N 3.05Å; E253-L255 PolarHBondContact O-N 2.94Å; E253-C256 WeakPolarHBondContact O-CB 3.48Å; E253-C256 PolarHBondContact O-N 3.33Å; E253-Y257 HydrophobicContact CG-CE2 3.97Å; E253-Y257 WeakPolarHBondContact O-CD2 3.24Å |
| 254 | I | 81.1 | Confident | 76.9 | Confident | 71 Ų | 71 | 46.2 Ų | 46.2 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.4 | -49 | 175 | -68.9 | 164 | 0 | 0 | 0 | 110.7 | L243 L246 L250 F251 C252 C256 Y257 | L243-I254 HydrophobicContact CD1-CD1 4.48Å; L243-I254 HydrophobicContact CD1-CG2 4.36Å; L246-I254 HydrophobicContact CD1-CD1 3.42Å; L246-I254 VanDerWaalsContact CD1-CD1 3.42Å; L250-I254 VanDerWaalsContact O-CG1 3.29Å; L250-I254 WeakPolarHBondContact O-CG1 3.23Å; L250-I254 PolarHBondContact O-N 3.47Å; F251-I254 PolarHBondContact O-N 3.32Å; C252-I254 PolarHBondContact O-N 3.01Å; I254-C256 PolarHBondContact O-N 3.31Å; I254-Y257 PolarHBondContact O-N 3.45Å; I254-Y257 VanDerWaalsContact O-N 3.14Å |
| 255 | L | 83.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -28.1 | -178.5 | -66.3 | -179 | 0 | 0 | 0 | 112.9 | F251 C252 E253 Y257 L258 L263 L266 I277 I283 | F251-L255 HydrophobicContact CD1-CD1 3.64Å; F251-L255 HydrophobicContact CD1-CG 4.49Å; F251-L255 HydrophobicContact CD2-CD1 4.24Å; F251-L255 HydrophobicContact CD2-CG 4.5Å; F251-L255 HydrophobicContact CE1-CD1 3.17Å; F251-L255 HydrophobicContact CE1-CG 4.32Å; F251-L255 HydrophobicContact CE2-CD1 3.85Å; F251-L255 HydrophobicContact CE2-CG 4.34Å; F251-L255 HydrophobicContact CG-CD1 4.17Å; F251-L255 HydrophobicContact CZ-CD1 3.33Å; F251-L255 HydrophobicContact CZ-CG 4.27Å; F251-L255 WeakPolarHBondContact O-CB 3.45Å; F251-L255 VanDerWaalsContact O-CG 3.23Å; F251-L255 WeakPolarHBondContact O-CG 3.35Å; F251-L255 PolarHBondContact O-N 2.88Å; C252-L255 PolarHBondContact O-N 3.45Å; E253-L255 PolarHBondContact O-N 2.94Å; L255-Y257 PolarHBondContact O-N 3.42Å; L255-L258 HydrophobicContact CD2-CD1 3.74Å; L255-L258 PolarHBondContact O-N 3.11Å; L255-L263 HydrophobicContact CB-CD2 3.95Å; L255-L263 HydrophobicContact CD2-CD2 3.82Å; L255-L263 HydrophobicContact CG-CD2 4.37Å; L255-L266 HydrophobicContact CD2-CD1 3.92Å; L255-I277 HydrophobicContact CD1-CG1 3.71Å; L255-I277 HydrophobicContact CD2-CG1 4.49Å; L255-I283 HydrophobicContact CB-CD1 3.33Å; L255-I283 HydrophobicContact CB-CG1 3.92Å; L255-I283 HydrophobicContact CD1-CD1 3.29Å; L255-I283 HydrophobicContact CG-CD1 3.97Å |
| 256 | C | 78.7 | Confident | 78.6 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.1 | -25.4 | 176.3 | -67.6 | 0 | 0 | 0 | 0 | 113 | C252 E253 I254 I286 K290 | C252-C256 WeakPolarHBondContact O-CB 3.4Å; C252-C256 PolarHBondContact O-N 3.45Å; C252-C256 PolarHBondContact O-SG 3.44Å; E253-C256 WeakPolarHBondContact O-CB 3.48Å; E253-C256 PolarHBondContact O-N 3.33Å; I254-C256 PolarHBondContact O-N 3.31Å; C256-I286 HydrophobicContact CB-CD1 3.65Å; C256-I286 WeakPolarHBondContact SG-CD1 3.47Å; C256-K290 PolarHBondContact O-NZ 3.29Å |
| 257 | Y | 79.3 | Confident | 79.4 | Confident | 182 Ų | 182 | 48.1 Ų | 48.1 | 71% | 0.714 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -82.9 | -21.2 | 175.2 | -71.1 | -71.6 | 0 | 0 | 0 | 113.4 | E253 I254 L255 | E253-Y257 HydrophobicContact CG-CE2 3.97Å; E253-Y257 WeakPolarHBondContact O-CD2 3.24Å; I254-Y257 PolarHBondContact O-N 3.45Å; I254-Y257 VanDerWaalsContact O-N 3.14Å; L255-Y257 PolarHBondContact O-N 3.42Å |
| 258 | L | 82.7 | Confident | 80.1 | Confident | 49 Ų | 49 | 56.6 Ų | 56.6 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -72.2 | 141.6 | -178.9 | -65.6 | 179 | 0 | 0 | 0 | 111.9 | L255 L263 L266 Q287 | L255-L258 HydrophobicContact CD2-CD1 3.74Å; L255-L258 PolarHBondContact O-N 3.11Å; L258-L263 HydrophobicContact CB-CD2 4.08Å; L258-L263 HydrophobicContact CB-CG 4.06Å; L258-L263 HydrophobicContact CD1-CD2 4.2Å; L258-L266 HydrophobicContact CD1-CD1 3.35Å; L258-Q287 PolarHBondContact O-NE2 2.8Å |
| 259 | P | 82.7 | Confident | 80.7 | Confident | 70 Ų | 70 | 55.9 Ų | 55.9 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | trans | -66.3 | 153.4 | 170.3 | 29.2 | -32.9 | 0 | 0 | 0 | 109.9 | T261 S262 L263 | P259-T261 PolarHBondContact O-N 3.11Å; P259-T261 VanDerWaalsContact O-N 3.14Å; P259-S262 WeakPolarHBondContact CG-OG 3.13Å; P259-S262 PolarHBondContact O-N 2.91Å; P259-L263 PolarHBondContact O-N 2.78Å | ||
| 260 | L | 83.5 | Confident | 81.2 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -55.8 | -33.7 | -178 | -175.4 | 68.4 | 0 | 0 | 0 | 112.7 | L263 G264 W284 Q287 F356 Y360 | L260-L263 PolarHBondContact O-N 2.83Å; L260-G264 PolarHBondContact O-N 3.44Å; L260-W284 HydrophobicContact CD1-CZ3 4.01Å; L260-Q287 HydrophobicContact CD1-CG 4.46Å; L260-F356 HydrophobicContact CD1-CE1 4.01Å; L260-F356 HydrophobicContact CD1-CE2 4.48Å; L260-F356 HydrophobicContact CD1-CZ 3.57Å; L260-F356 HydrophobicContact CD2-CE1 4.45Å; L260-F356 HydrophobicContact CD2-CZ 3.72Å; L260-F356 HydrophobicContact CG-CZ 4.31Å; L260-Y360 HydrophobicContact CD2-CD2 4.3Å; L260-Y360 HydrophobicContact CD2-CE2 3.83Å |
| 261 | T | 84.4 | Confident | 81.6 | Confident | 108 Ų | 108 | 66.2 Ų | 66.2 | 66% | 0.663 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.5 | -48.9 | 175.7 | 46.8 | 0 | 0 | 0 | 0 | 111.7 | P259 L263 G264 S265 | P259-T261 PolarHBondContact O-N 3.11Å; P259-T261 VanDerWaalsContact O-N 3.14Å; T261-L263 PolarHBondContact O-N 2.83Å; T261-G264 PolarHBondContact O-N 3.3Å; T261-S265 PolarHBondContact O-N 3.45Å; T261-S265 PolarHBondContact O-OG 3.17Å |
| 262 | S | 85.6 | Confident | 81.5 | Confident | 47 Ų | 47 | 70 Ų | 70 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.6 | -36.7 | 176.6 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | P259 G264 S265 L266 | P259-S262 WeakPolarHBondContact CG-OG 3.13Å; P259-S262 PolarHBondContact O-N 2.91Å; S262-G264 VanDerWaalsContact C-N 3.34Å; S262-S265 PolarHBondContact O-N 2.8Å; S262-L266 WeakPolarHBondContact O-CG 3.4Å; S262-L266 PolarHBondContact O-N 2.92Å |
| 263 | L | 85.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 172.1 | -72 | 174.1 | 0 | 0 | 0 | 111.1 | L255 L258 P259 L260 T261 L266 M267 I277 I283 Q287 | L255-L263 HydrophobicContact CB-CD2 3.95Å; L255-L263 HydrophobicContact CD2-CD2 3.82Å; L255-L263 HydrophobicContact CG-CD2 4.37Å; L258-L263 HydrophobicContact CB-CD2 4.08Å; L258-L263 HydrophobicContact CB-CG 4.06Å; L258-L263 HydrophobicContact CD1-CD2 4.2Å; P259-L263 PolarHBondContact O-N 2.78Å; L260-L263 PolarHBondContact O-N 2.83Å; T261-L263 PolarHBondContact O-N 2.83Å; L263-L266 PolarHBondContact O-N 3.1Å; L263-M267 VanDerWaalsContact O-CG 3.29Å; L263-M267 WeakPolarHBondContact O-CG 3.27Å; L263-M267 PolarHBondContact O-N 2.93Å; L263-I277 HydrophobicContact CD2-CG2 4.47Å; L263-I283 HydrophobicContact CD1-CG2 3.76Å; L263-Q287 HydrophobicContact CD1-CG 4.21Å |
| 264 | G | 83.3 | Confident | 82.1 | Confident | 23 Ų | 23 | 71 Ų | 71 | 24% | 0.237 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.8 | -49.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L260 T261 S262 L266 M267 F268 | L260-G264 PolarHBondContact O-N 3.44Å; T261-G264 PolarHBondContact O-N 3.3Å; S262-G264 VanDerWaalsContact C-N 3.34Å; G264-L266 PolarHBondContact O-N 3.43Å; G264-M267 WeakPolarHBondContact O-CB 3.37Å; G264-M267 PolarHBondContact O-N 3.31Å; G264-F268 WeakPolarHBondContact O-CD2 3.36Å; G264-F268 PolarHBondContact O-N 3.08Å; G264-F268 VanDerWaalsContact O-N 3.14Å |
| 265 | S | 85.2 | Confident | 82.1 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.8 | -47.2 | 176.6 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | T261 S262 M267 F268 C269 | T261-S265 PolarHBondContact O-N 3.45Å; T261-S265 PolarHBondContact O-OG 3.17Å; S262-S265 PolarHBondContact O-N 2.8Å; S265-M267 VanDerWaalsContact C-N 3.3Å; S265-M267 PolarHBondContact O-N 3.09Å; S265-F268 PolarHBondContact O-N 3.02Å; S265-C269 PolarHBondContact O-N 2.81Å; S265-C269 VanDerWaalsContact O-N 3.09Å; S265-C269 PolarHBondContact O-SG 2.84Å |
| 266 | L | 83.2 | Confident | 81.9 | Confident | 42 Ų | 42 | 74.6 Ų | 74.6 | 22% | 0.22 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 177.7 | -73.6 | 174.4 | 0 | 0 | 0 | 112.8 | L255 L258 S262 L263 G264 F268 C269 L273 I277 | L255-L266 HydrophobicContact CD2-CD1 3.92Å; L258-L266 HydrophobicContact CD1-CD1 3.35Å; S262-L266 WeakPolarHBondContact O-CG 3.4Å; S262-L266 PolarHBondContact O-N 2.92Å; L263-L266 PolarHBondContact O-N 3.1Å; G264-L266 PolarHBondContact O-N 3.43Å; L266-F268 VanDerWaalsContact C-N 3.25Å; L266-F268 PolarHBondContact O-N 2.71Å; L266-C269 PolarHBondContact O-N 3.03Å; L266-L273 HydrophobicContact CD2-CD1 4.38Å; L266-I277 HydrophobicContact CB-CD1 3.78Å |
| 267 | M | 85.3 | Confident | 82.1 | Confident | 19 Ų | 19 | 73.8 Ų | 73.8 | 9% | 0.094 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.6 | -30.7 | 174.8 | -72.6 | 179.7 | 75 | 0 | 0 | 112.3 | L263 G264 S265 Y274 I277 R278 W284 | L263-M267 VanDerWaalsContact O-CG 3.29Å; L263-M267 WeakPolarHBondContact O-CG 3.27Å; L263-M267 PolarHBondContact O-N 2.93Å; G264-M267 WeakPolarHBondContact O-CB 3.37Å; G264-M267 PolarHBondContact O-N 3.31Å; S265-M267 VanDerWaalsContact C-N 3.3Å; S265-M267 PolarHBondContact O-N 3.09Å; M267-Y274 HydrophobicContact CB-CD2 4.13Å; M267-Y274 HydrophobicContact CE-CD2 3.58Å; M267-Y274 HydrophobicContact CE-CE2 3.61Å; M267-Y274 HydrophobicContact CE-CG 4.42Å; M267-Y274 WeakPolarHBondContact O-CB 3.42Å; M267-I277 HydrophobicContact CG-CB 3.8Å; M267-I277 HydrophobicContact CG-CD1 3.64Å; M267-I277 HydrophobicContact CG-CG1 4.31Å; M267-I277 HydrophobicContact CG-CG2 3.7Å; M267-I277 HydrophobicContact SD-CB 4.24Å; M267-I277 HydrophobicContact SD-CG2 3.64Å; M267-R278 HydrophobicContact CE-CB 4.23Å; M267-W284 HydrophobicContact CE-CZ2 4.28Å; M267-W284 HydrophobicContact SD-CH2 3.93Å; M267-W284 HydrophobicContact SD-CZ2 3.81Å |
| 268 | F | 82.6 | Confident | 82.3 | Confident | 186 Ų | 186 | 68.5 Ų | 68.5 | 82% | 0.816 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -80.4 | -25.2 | 175 | -72.9 | -69.1 | 0 | 0 | 0 | 113.4 | G264 S265 L266 | G264-F268 WeakPolarHBondContact O-CD2 3.36Å; G264-F268 PolarHBondContact O-N 3.08Å; G264-F268 VanDerWaalsContact O-N 3.14Å; S265-F268 PolarHBondContact O-N 3.02Å; L266-F268 VanDerWaalsContact C-N 3.25Å; L266-F268 PolarHBondContact O-N 2.71Å |
| 269 | C | 80.8 | Confident | 82.2 | Confident | 99 Ų | 99 | 70.4 Ų | 70.4 | 67% | 0.669 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -70.5 | -35.1 | -175.8 | -67.5 | 0 | 0 | 0 | 0 | 114 | S265 L266 | S265-C269 PolarHBondContact O-N 2.81Å; S265-C269 VanDerWaalsContact O-N 3.09Å; S265-C269 PolarHBondContact O-SG 2.84Å; L266-C269 PolarHBondContact O-N 3.03Å |
| 270 | N | 78.7 | Confident | 82.1 | Confident | 70 Ų | 70 | 67.3 Ų | 67.3 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | trans | -152.2 | 132.8 | -172.6 | -175.8 | -40.1 | 0 | 0 | 0 | 111.1 | E272 L273 Y274 | N270-E272 VanDerWaalsContact C-N 3.31Å; N270-E272 PolarHBondContact O-N 2.84Å; N270-E272 WeakPolarHBondContact OD1-CA 3.29Å; N270-E272 VanDerWaalsContact OD1-CB 3.25Å; N270-E272 WeakPolarHBondContact OD1-CB 3.45Å; N270-E272 PolarHBondContact OD1-N 3.14Å; N270-L273 HydrophobicContact CB-CB 4.12Å; N270-L273 HydrophobicContact CB-CD1 4.01Å; N270-L273 HydrophobicContact CB-CG 4.08Å; N270-L273 PolarHBondContact O-N 2.94Å; N270-Y274 PolarHBondContact O-N 3.22Å | ||
| 271 | R | 78.5 | Confident | 81.8 | Confident | 212 Ų | 212 | 65.7 Ų | 65.7 | 80% | 0.8 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.1 | -36.4 | 178.3 | -175.1 | 177.9 | 178 | 177.7 | -0.2 | 113.2 | Y274 C275 | R271-Y274 WeakPolarHBondContact O-CB 3.39Å; R271-Y274 PolarHBondContact O-N 3.28Å; R271-C275 PolarHBondContact O-N 3.32Å; R271-C275 PolarHBondContact O-SG 3.04Å |
| 272 | E | 77.5 | Confident | 81.3 | Confident | 85 Ų | 85 | 60.6 Ų | 60.6 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 175.6 | -166.8 | -169.9 | 170.8 | 0 | 0 | 111.1 | C244 N270 Y274 C275 R276 | C244-E272 WeakPolarHBondContact CB-OE1 3.43Å; N270-E272 VanDerWaalsContact C-N 3.31Å; N270-E272 PolarHBondContact O-N 2.84Å; N270-E272 WeakPolarHBondContact OD1-CA 3.29Å; N270-E272 VanDerWaalsContact OD1-CB 3.25Å; N270-E272 WeakPolarHBondContact OD1-CB 3.45Å; N270-E272 PolarHBondContact OD1-N 3.14Å; E272-Y274 VanDerWaalsContact C-N 3.34Å; E272-C275 PolarHBondContact O-N 3.36Å; E272-R276 WeakPolarHBondContact O-CB 3.22Å; E272-R276 WeakPolarHBondContact O-CG 3.33Å; E272-R276 PolarHBondContact O-N 3.14Å; E272-R276 IonicContact OE1-CZ 3.26Å; E272-R276 VanDerWaalsContact OE1-CZ 3.26Å; E272-R276 IonicContact OE1-NE 2.84Å; E272-R276 PolarHBondContact OE1-NE 3.24Å; E272-R276 IonicContact OE1-NH2 2.67Å; E272-R276 PolarHBondContact OE1-NH2 3.13Å |
| 273 | L | 80.6 | Confident | 81.1 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 174.2 | -72.9 | 177.1 | 0 | 0 | 0 | 111.2 | L243 C244 F251 L266 N270 C275 R276 I277 | L243-L273 HydrophobicContact CD2-CD1 4.48Å; L243-L273 HydrophobicContact CD2-CD2 3.96Å; L243-L273 HydrophobicContact CG-CD2 4.44Å; C244-L273 WeakPolarHBondContact SG-CD2 3.44Å; F251-L273 HydrophobicContact CE2-CD2 3.8Å; F251-L273 HydrophobicContact CZ-CD2 3.94Å; L266-L273 HydrophobicContact CD2-CD1 4.38Å; N270-L273 HydrophobicContact CB-CB 4.12Å; N270-L273 HydrophobicContact CB-CD1 4.01Å; N270-L273 HydrophobicContact CB-CG 4.08Å; N270-L273 PolarHBondContact O-N 2.94Å; L273-C275 PolarHBondContact O-N 3.41Å; L273-R276 PolarHBondContact O-N 3.37Å; L273-I277 HydrophobicContact CB-CD1 4.24Å; L273-I277 VanDerWaalsContact O-CB 3.27Å; L273-I277 WeakPolarHBondContact O-CB 3.34Å; L273-I277 WeakPolarHBondContact O-CD1 3.25Å; L273-I277 WeakPolarHBondContact O-CG1 3.5Å; L273-I277 PolarHBondContact O-N 3.09Å |
| 274 | Y | 81.7 | Confident | 81.1 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -52.6 | -54.7 | 173.2 | 173.9 | -90.5 | 0 | 0 | 0 | 111.1 | M267 N270 R271 E272 R276 I277 R278 | M267-Y274 HydrophobicContact CB-CD2 4.13Å; M267-Y274 HydrophobicContact CE-CD2 3.58Å; M267-Y274 HydrophobicContact CE-CE2 3.61Å; M267-Y274 HydrophobicContact CE-CG 4.42Å; M267-Y274 WeakPolarHBondContact O-CB 3.42Å; N270-Y274 PolarHBondContact O-N 3.22Å; R271-Y274 WeakPolarHBondContact O-CB 3.39Å; R271-Y274 PolarHBondContact O-N 3.28Å; E272-Y274 VanDerWaalsContact C-N 3.34Å; Y274-R276 PolarHBondContact O-N 3.18Å; Y274-I277 PolarHBondContact O-N 2.97Å; Y274-R278 WeakPolarHBondContact O-CB 3.47Å; Y274-R278 PolarHBondContact O-N 2.94Å; Y274-R278 PolarHBondContact OH-NH1 2.68Å; Y274-R278 VanDerWaalsContact OH-NH1 3.15Å |
| 275 | C | 80.6 | Confident | 80.7 | Confident | 55 Ų | 55 | 62.5 Ų | 62.5 | 37% | 0.372 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | -179 | -68.6 | 0 | 0 | 0 | 0 | 111.5 | R271 E272 L273 N279 | R271-C275 PolarHBondContact O-N 3.32Å; R271-C275 PolarHBondContact O-SG 3.04Å; E272-C275 PolarHBondContact O-N 3.36Å; L273-C275 PolarHBondContact O-N 3.41Å; C275-N279 VanDerWaalsContact O-CB 3.24Å; C275-N279 WeakPolarHBondContact O-CB 3.36Å; C275-N279 PolarHBondContact O-N 3.07Å; C275-N279 PolarHBondContact O-ND2 3.28Å; C275-N279 PolarHBondContact O-OD1 3.14Å |
| 276 | R | 79.9 | Confident | 80.2 | Confident | 90 Ų | 90 | 59.7 Ų | 59.7 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | -179.2 | -71.9 | 176.1 | 179.6 | -114.1 | 9.2 | 113 | C244 F251 E272 L273 Y274 C280 | C244-R276 PolarHBondContact O-NH1 3.41Å; C244-R276 PolarHBondContact O-NH2 2.91Å; F251-R276 HydrophobicContact CE1-CB 3.68Å; F251-R276 HydrophobicContact CZ-CB 3.81Å; E272-R276 WeakPolarHBondContact O-CB 3.22Å; E272-R276 WeakPolarHBondContact O-CG 3.33Å; E272-R276 PolarHBondContact O-N 3.14Å; E272-R276 IonicContact OE1-CZ 3.26Å; E272-R276 VanDerWaalsContact OE1-CZ 3.26Å; E272-R276 IonicContact OE1-NE 2.84Å; E272-R276 PolarHBondContact OE1-NE 3.24Å; E272-R276 IonicContact OE1-NH2 2.67Å; E272-R276 PolarHBondContact OE1-NH2 3.13Å; L273-R276 PolarHBondContact O-N 3.37Å; Y274-R276 PolarHBondContact O-N 3.18Å; R276-C280 WeakPolarHBondContact O-CB 3.26Å; R276-C280 PolarHBondContact O-N 3.02Å |
| 277 | I | 83.8 | Confident | 80 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.2 | -48.3 | 178 | -64.3 | 165.6 | 0 | 0 | 0 | 109.2 | F251 L255 L263 L266 M267 L273 Y274 N279 C280 W284 | F251-I277 HydrophobicContact CZ-CG1 4.27Å; L255-I277 HydrophobicContact CD1-CG1 3.71Å; L255-I277 HydrophobicContact CD2-CG1 4.49Å; L263-I277 HydrophobicContact CD2-CG2 4.47Å; L266-I277 HydrophobicContact CB-CD1 3.78Å; M267-I277 HydrophobicContact CG-CB 3.8Å; M267-I277 HydrophobicContact CG-CD1 3.64Å; M267-I277 HydrophobicContact CG-CG1 4.31Å; M267-I277 HydrophobicContact CG-CG2 3.7Å; M267-I277 HydrophobicContact SD-CB 4.24Å; M267-I277 HydrophobicContact SD-CG2 3.64Å; L273-I277 HydrophobicContact CB-CD1 4.24Å; L273-I277 VanDerWaalsContact O-CB 3.27Å; L273-I277 WeakPolarHBondContact O-CB 3.34Å; L273-I277 WeakPolarHBondContact O-CD1 3.25Å; L273-I277 WeakPolarHBondContact O-CG1 3.5Å; L273-I277 PolarHBondContact O-N 3.09Å; Y274-I277 PolarHBondContact O-N 2.97Å; I277-N279 VanDerWaalsContact C-N 3.28Å; I277-N279 PolarHBondContact O-N 3.1Å; I277-C280 PolarHBondContact O-N 3.04Å; I277-W284 HydrophobicContact CG2-CZ2 3.82Å; I277-W284 PolarHBondContact O-NE1 2.88Å |
| 278 | R | 83.5 | Confident | 79.5 | Confident | 72 Ų | 72 | 58.4 Ų | 58.4 | 27% | 0.272 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55 | -45.2 | 177.4 | -179 | 177.3 | 170.6 | 178.4 | -6.9 | 111.4 | M267 Y274 W284 Y353 | M267-R278 HydrophobicContact CE-CB 4.23Å; Y274-R278 WeakPolarHBondContact O-CB 3.47Å; Y274-R278 PolarHBondContact O-N 2.94Å; Y274-R278 PolarHBondContact OH-NH1 2.68Å; Y274-R278 VanDerWaalsContact OH-NH1 3.15Å; R278-W284 PolarHBondContact O-NE1 3.32Å; R278-Y353 HydrophobicContact CG-CD1 3.97Å; R278-Y353 HydrophobicContact CG-CE1 4.19Å; R278-Y353 HydrophobicContact CG-CG 4.26Å |
| 279 | N | 80.8 | Confident | 78.9 | Confident | 89 Ų | 89 | 50 Ų | 50 | 48% | 0.476 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -85.5 | -8.8 | -175.5 | -60.2 | -4.3 | 0 | 0 | 0 | 113.6 | C275 I277 N281 | C275-N279 VanDerWaalsContact O-CB 3.24Å; C275-N279 WeakPolarHBondContact O-CB 3.36Å; C275-N279 PolarHBondContact O-N 3.07Å; C275-N279 PolarHBondContact O-ND2 3.28Å; C275-N279 PolarHBondContact O-OD1 3.14Å; I277-N279 VanDerWaalsContact C-N 3.28Å; I277-N279 PolarHBondContact O-N 3.1Å; N279-N281 VanDerWaalsContact C-N 3.34Å; N279-N281 PolarHBondContact O-N 3.2Å |
| 280 | C | 79.3 | Confident | 78.6 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | trans | -78.7 | 86.2 | 174.1 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | C252 R276 I277 T282 I283 | C252-C280 WeakPolarHBondContact CB-SG 3.37Å; C252-C280 WeakPolarHBondContact SG-CB 3.12Å; C252-C280 CovalentContact SG-SG 2.09Å; C252-C280 PolarHBondContact SG-SG 3.5Å; R276-C280 WeakPolarHBondContact O-CB 3.26Å; R276-C280 PolarHBondContact O-N 3.02Å; I277-C280 PolarHBondContact O-N 3.04Å; C280-T282 PolarHBondContact O-N 2.9Å; C280-T282 VanDerWaalsContact O-N 3.14Å; C280-I283 HydrophobicContact CB-CD1 3.68Å; C280-I283 HydrophobicContact CB-CG1 4.26Å; C280-I283 PolarHBondContact O-N 3.04Å; C280-I283 WeakPolarHBondContact SG-CD1 3.31Å; C280-I283 VanDerWaalsContact SG-CG1 3.53Å | ||
| 281 | N | 77.2 | Confident | 78.2 | Confident | 15 Ų | 15 | 47.9 Ų | 47.9 | 8% | 0.08 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -50.6 | -36.9 | 177.2 | -82.1 | -37.5 | 0 | 0 | 0 | 113.5 | N279 I283 W284 R285 E349 A352 | N279-N281 VanDerWaalsContact C-N 3.34Å; N279-N281 PolarHBondContact O-N 3.2Å; N281-I283 PolarHBondContact O-N 3.42Å; N281-W284 PolarHBondContact O-N 3.38Å; N281-R285 WeakPolarHBondContact O-CB 3.34Å; N281-R285 VanDerWaalsContact O-CG 3.24Å; N281-R285 WeakPolarHBondContact O-CG 3.47Å; N281-R285 PolarHBondContact O-N 3.25Å; N281-E349 PolarHBondContact ND2-O 3.1Å; N281-E349 PolarHBondContact OD1-O 3.35Å; N281-E349 VanDerWaalsContact OD1-O 3.06Å; N281-A352 HydrophobicContact CB-CB 4.19Å; N281-A352 VanDerWaalsContact OD1-CB 3.23Å; N281-A352 WeakPolarHBondContact OD1-CB 3.46Å |
| 282 | T | 74.6 | Confident | 77.6 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.1 | -48.2 | 176.3 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | I82 L86 E89 C280 W284 R285 I286 | I82-T282 HydrophobicContact CG2-CG2 3.46Å; I82-T282 VanDerWaalsContact CG2-CG2 3.46Å; L86-T282 HydrophobicContact CD1-CG2 4.03Å; L86-T282 HydrophobicContact CD2-CG2 3.71Å; L86-T282 WeakPolarHBondContact CD2-OG1 3.02Å; L86-T282 HydrophobicContact CG-CG2 3.89Å; E89-T282 PolarHBondContact OE1-OG1 3.36Å; C280-T282 PolarHBondContact O-N 2.9Å; C280-T282 VanDerWaalsContact O-N 3.14Å; T282-W284 PolarHBondContact O-N 3.33Å; T282-R285 PolarHBondContact O-N 2.82Å; T282-I286 HydrophobicContact CG2-CD1 4.44Å; T282-I286 WeakPolarHBondContact O-CG1 3.28Å; T282-I286 PolarHBondContact O-N 3.37Å |
| 283 | I | 81.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | -179 | -67.9 | 161 | 0 | 0 | 0 | 110.3 | L255 L263 C280 N281 R285 I286 Q287 | L255-I283 HydrophobicContact CB-CD1 3.33Å; L255-I283 HydrophobicContact CB-CG1 3.92Å; L255-I283 HydrophobicContact CD1-CD1 3.29Å; L255-I283 HydrophobicContact CG-CD1 3.97Å; L263-I283 HydrophobicContact CD1-CG2 3.76Å; C280-I283 HydrophobicContact CB-CD1 3.68Å; C280-I283 HydrophobicContact CB-CG1 4.26Å; C280-I283 PolarHBondContact O-N 3.04Å; C280-I283 WeakPolarHBondContact SG-CD1 3.31Å; C280-I283 VanDerWaalsContact SG-CG1 3.53Å; N281-I283 PolarHBondContact O-N 3.42Å; I283-R285 VanDerWaalsContact C-N 3.31Å; I283-R285 PolarHBondContact O-N 3.17Å; I283-I286 CarbonylContact O-C 3.4Å; I283-I286 PolarHBondContact O-N 3.33Å; I283-I286 VanDerWaalsContact O-N 3.1Å; I283-Q287 HydrophobicContact CG2-CG 4.19Å; I283-Q287 WeakPolarHBondContact O-CG 3.18Å; I283-Q287 PolarHBondContact O-N 2.67Å |
| 284 | W | 83.3 | Confident | 75.9 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.6 | -34.1 | -178.5 | -59.6 | 116.8 | 0 | 0 | 0 | 112.2 | L260 M267 I277 R278 N281 T282 Q287 L288 A352 Y353 F356 | L260-W284 HydrophobicContact CD1-CZ3 4.01Å; M267-W284 HydrophobicContact CE-CZ2 4.28Å; M267-W284 HydrophobicContact SD-CH2 3.93Å; M267-W284 HydrophobicContact SD-CZ2 3.81Å; I277-W284 HydrophobicContact CG2-CZ2 3.82Å; I277-W284 PolarHBondContact O-NE1 2.88Å; R278-W284 PolarHBondContact O-NE1 3.32Å; N281-W284 PolarHBondContact O-N 3.38Å; T282-W284 PolarHBondContact O-N 3.33Å; W284-Q287 PolarHBondContact O-N 2.99Å; W284-L288 WeakPolarHBondContact O-CB 3.3Å; W284-L288 PolarHBondContact O-N 2.96Å; W284-A352 HydrophobicContact CB-CB 4.1Å; W284-Y353 AromaticContact CD2-CD2 3.57Å; W284-Y353 HydrophobicContact CD2-CD2 3.57Å; W284-Y353 HydrophobicContact CD2-CE2 4.33Å; W284-Y353 HydrophobicContact CD2-CG 4.5Å; W284-Y353 AromaticContact CE2-CD2 3.28Å; W284-Y353 AromaticContact CE2-CE2 3.85Å; W284-Y353 AromaticContact CE3-CD2 3.97Å; W284-Y353 HydrophobicContact CE3-CD2 3.97Å; W284-Y353 HydrophobicContact CE3-CE2 4.44Å; W284-Y353 HydrophobicContact CG-CD2 4.09Å; W284-Y353 AromaticContact CH2-CD2 3.87Å; W284-Y353 HydrophobicContact CH2-CD2 3.87Å; W284-Y353 AromaticContact CH2-CE2 3.62Å; W284-Y353 HydrophobicContact CH2-CE2 3.62Å; W284-Y353 AromaticContact CZ2-CD2 3.44Å; W284-Y353 HydrophobicContact CZ2-CD2 3.44Å; W284-Y353 VanDerWaalsContact CZ2-CD2 3.44Å; W284-Y353 AromaticContact CZ2-CE2 3.47Å; W284-Y353 HydrophobicContact CZ2-CE2 3.47Å; W284-Y353 VanDerWaalsContact CZ2-CE2 3.47Å; W284-Y353 HydrophobicContact CZ3-CD2 4.12Å; W284-Y353 HydrophobicContact CZ3-CE2 4.12Å; W284-Y353 AromaticContact NE1-CD2 3.65Å; W284-F356 HydrophobicContact CB-CB 4.38Å; W284-F356 HydrophobicContact CE3-CB 4.32Å; W284-F356 AromaticContact CE3-CD1 3.56Å; W284-F356 HydrophobicContact CE3-CD1 3.56Å; W284-F356 HydrophobicContact CE3-CD2 4.31Å; W284-F356 AromaticContact CE3-CE1 3.93Å; W284-F356 HydrophobicContact CE3-CE1 3.93Å; W284-F356 AromaticContact CE3-CG 3.79Å; W284-F356 HydrophobicContact CE3-CG 3.79Å; W284-F356 HydrophobicContact CE3-CZ 4.43Å; W284-F356 AromaticContact CZ3-CD1 3.68Å; W284-F356 HydrophobicContact CZ3-CD1 3.68Å; W284-F356 AromaticContact CZ3-CE1 3.63Å; W284-F356 HydrophobicContact CZ3-CE1 3.63Å; W284-F356 HydrophobicContact CZ3-CG 4.35Å; W284-F356 HydrophobicContact CZ3-CZ 4.23Å |
| 285 | R | 75.5 | Confident | 74.4 | Confident | 103 Ų | 103 | 44.7 Ų | 44.7 | 39% | 0.389 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.2 | -42 | 169.6 | -73.1 | 173.4 | -176.8 | 173.7 | 2.9 | 111.6 | I82 S85 N281 T282 I283 A289 A352 | I82-R285 HydrophobicContact CD1-CB 3.95Å; I82-R285 HydrophobicContact CG1-CB 4.02Å; S85-R285 PolarHBondContact OG-NH1 3.13Å; N281-R285 WeakPolarHBondContact O-CB 3.34Å; N281-R285 VanDerWaalsContact O-CG 3.24Å; N281-R285 WeakPolarHBondContact O-CG 3.47Å; N281-R285 PolarHBondContact O-N 3.25Å; T282-R285 PolarHBondContact O-N 2.82Å; I283-R285 VanDerWaalsContact C-N 3.31Å; I283-R285 PolarHBondContact O-N 3.17Å; R285-A289 VanDerWaalsContact O-CB 3.27Å; R285-A289 WeakPolarHBondContact O-CB 3.07Å; R285-A289 PolarHBondContact O-N 3.15Å; R285-A352 HydrophobicContact CG-CB 4.07Å |
| 286 | I | 75.7 | Confident | 72.9 | Confident | 11 Ų | 11 | 46.3 Ų | 46.3 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -45.3 | 175.7 | -67.4 | -174.5 | 0 | 0 | 0 | 110.9 | L79 I82 C256 T282 I283 A289 K290 | L79-I286 HydrophobicContact CD2-CD1 3.85Å; L79-I286 HydrophobicContact CD2-CG1 3.87Å; L79-I286 HydrophobicContact CD2-CG2 4.06Å; I82-I286 HydrophobicContact CB-CG1 4.43Å; I82-I286 HydrophobicContact CD1-CB 4.17Å; I82-I286 HydrophobicContact CD1-CD1 4.49Å; I82-I286 HydrophobicContact CD1-CG1 3.34Å; I82-I286 HydrophobicContact CG1-CG1 4.29Å; I82-I286 HydrophobicContact CG2-CD1 4.02Å; I82-I286 HydrophobicContact CG2-CG1 3.86Å; C256-I286 HydrophobicContact CB-CD1 3.65Å; C256-I286 WeakPolarHBondContact SG-CD1 3.47Å; T282-I286 HydrophobicContact CG2-CD1 4.44Å; T282-I286 WeakPolarHBondContact O-CG1 3.28Å; T282-I286 PolarHBondContact O-N 3.37Å; I283-I286 CarbonylContact O-C 3.4Å; I283-I286 PolarHBondContact O-N 3.33Å; I283-I286 VanDerWaalsContact O-N 3.1Å; I286-A289 WeakPolarHBondContact O-CA 3.39Å; I286-A289 VanDerWaalsContact O-CB 3.25Å; I286-A289 WeakPolarHBondContact O-CB 3.1Å; I286-A289 PolarHBondContact O-N 2.72Å; I286-A289 VanDerWaalsContact O-N 3.14Å; I286-K290 HydrophobicContact CG2-CD 4.01Å; I286-K290 HydrophobicContact CG2-CG 4.32Å; I286-K290 WeakPolarHBondContact O-CG 3.46Å; I286-K290 PolarHBondContact O-N 3.09Å |
| 287 | Q | 77.7 | Confident | 71.5 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 7% | 0.065 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.7 | -40.8 | -179.7 | -65.7 | -64.4 | -8 | 0 | 0 | 110.8 | L258 L260 L263 I283 W284 A289 K290 L291 F356 | L258-Q287 PolarHBondContact O-NE2 2.8Å; L260-Q287 HydrophobicContact CD1-CG 4.46Å; L263-Q287 HydrophobicContact CD1-CG 4.21Å; I283-Q287 HydrophobicContact CG2-CG 4.19Å; I283-Q287 WeakPolarHBondContact O-CG 3.18Å; I283-Q287 PolarHBondContact O-N 2.67Å; W284-Q287 PolarHBondContact O-N 2.99Å; Q287-A289 VanDerWaalsContact C-N 3.27Å; Q287-A289 PolarHBondContact O-N 3.41Å; Q287-K290 PolarHBondContact O-N 3.05Å; Q287-L291 WeakPolarHBondContact O-CB 3.27Å; Q287-L291 WeakPolarHBondContact O-CG 3.3Å; Q287-L291 PolarHBondContact O-N 3.45Å; Q287-F356 HydrophobicContact CB-CD2 3.9Å; Q287-F356 HydrophobicContact CB-CE2 3.5Å; Q287-F356 VanDerWaalsContact CB-CE2 3.5Å; Q287-F356 HydrophobicContact CB-CZ 4.25Å |
| 288 | L | 76 | Confident | 69.7 | Low | 20 Ų | 20 | 52.4 Ų | 52.4 | 11% | 0.105 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 171.6 | -176.8 | 64.8 | 0 | 0 | 0 | 111.6 | W284 N292 Q355 F356 R359 | W284-L288 WeakPolarHBondContact O-CB 3.3Å; W284-L288 PolarHBondContact O-N 2.96Å; L288-N292 WeakPolarHBondContact O-CB 3.35Å; L288-N292 PolarHBondContact O-N 3.17Å; L288-Q355 HydrophobicContact CD2-CB 4.41Å; L288-F356 HydrophobicContact CB-CD2 4.2Å; L288-R359 HydrophobicContact CD1-CB 3.76Å; L288-R359 HydrophobicContact CD1-CG 3.79Å |
| 289 | A | 70.2 | Confident | 67.8 | Low | 11 Ų | 11 | 52.7 Ų | 52.7 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -51.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K78 R285 I286 Q287 L291 N292 A293 | K78-A289 HydrophobicContact CB-CB 3.45Å; K78-A289 VanDerWaalsContact CB-CB 3.45Å; K78-A289 VanDerWaalsContact CD-CA 3.41Å; K78-A289 HydrophobicContact CD-CB 3.29Å; K78-A289 HydrophobicContact CG-CB 4.02Å; R285-A289 VanDerWaalsContact O-CB 3.27Å; R285-A289 WeakPolarHBondContact O-CB 3.07Å; R285-A289 PolarHBondContact O-N 3.15Å; I286-A289 WeakPolarHBondContact O-CA 3.39Å; I286-A289 VanDerWaalsContact O-CB 3.25Å; I286-A289 WeakPolarHBondContact O-CB 3.1Å; I286-A289 PolarHBondContact O-N 2.72Å; I286-A289 VanDerWaalsContact O-N 3.14Å; Q287-A289 VanDerWaalsContact C-N 3.27Å; Q287-A289 PolarHBondContact O-N 3.41Å; A289-L291 VanDerWaalsContact C-N 3.31Å; A289-L291 PolarHBondContact O-N 2.83Å; A289-N292 PolarHBondContact O-N 3.06Å; A289-N292 VanDerWaalsContact O-N 3.17Å; A289-A293 WeakPolarHBondContact O-CB 3.46Å; A289-A293 PolarHBondContact O-N 3.29Å |
| 290 | K | 72.8 | Confident | 66.2 | Low | 87 Ų | 87 | 53 Ų | 53 | 38% | 0.378 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 177.2 | -71.5 | 175 | 179.2 | 175.6 | 0 | 111 | C256 I286 Q287 A293 K294 | C256-K290 PolarHBondContact O-NZ 3.29Å; I286-K290 HydrophobicContact CG2-CD 4.01Å; I286-K290 HydrophobicContact CG2-CG 4.32Å; I286-K290 WeakPolarHBondContact O-CG 3.46Å; I286-K290 PolarHBondContact O-N 3.09Å; Q287-K290 PolarHBondContact O-N 3.05Å; K290-A293 PolarHBondContact O-N 3.41Å; K290-K294 WeakPolarHBondContact O-CG 3.35Å; K290-K294 PolarHBondContact O-N 3.02Å; K290-K294 VanDerWaalsContact O-N 3.09Å |
| 291 | L | 71 | Confident | 64.5 | Low | 37 Ų | 37 | 56.8 Ų | 56.8 | 19% | 0.194 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 175.5 | -77.5 | -178.3 | 0 | 0 | 0 | 112.5 | Q287 A289 F356 Y360 L363 | Q287-L291 WeakPolarHBondContact O-CB 3.27Å; Q287-L291 WeakPolarHBondContact O-CG 3.3Å; Q287-L291 PolarHBondContact O-N 3.45Å; A289-L291 VanDerWaalsContact C-N 3.31Å; A289-L291 PolarHBondContact O-N 2.83Å; L291-F356 HydrophobicContact CD1-CD2 3.71Å; L291-F356 HydrophobicContact CD1-CE2 3.2Å; L291-F356 HydrophobicContact CD1-CZ 3.91Å; L291-F356 HydrophobicContact CG-CE2 3.97Å; L291-Y360 HydrophobicContact CD1-CD2 4.17Å; L291-Y360 HydrophobicContact CD2-CD2 4.44Å; L291-L363 HydrophobicContact CD2-CD1 4.41Å |
| 292 | N | 65.9 | Low | 63.2 | Low | 53 Ų | 53 | 59.3 Ų | 59.3 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -74.2 | -36.3 | 179.4 | -72.4 | -12.2 | 0 | 0 | 0 | 112.4 | K78 L288 A289 K295 R296 R359 | K78-N292 PolarHBondContact NZ-ND2 3.25Å; L288-N292 WeakPolarHBondContact O-CB 3.35Å; L288-N292 PolarHBondContact O-N 3.17Å; A289-N292 PolarHBondContact O-N 3.06Å; A289-N292 VanDerWaalsContact O-N 3.17Å; N292-K295 PolarHBondContact O-N 3.41Å; N292-R296 PolarHBondContact O-N 2.85Å; N292-R359 PolarHBondContact OD1-NE 3.01Å |
| 293 | A | 63.2 | Low | 61.7 | Low | 54 Ų | 54 | 64 Ų | 64 | 45% | 0.446 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | A289 K290 K295 R296 | A289-A293 WeakPolarHBondContact O-CB 3.46Å; A289-A293 PolarHBondContact O-N 3.29Å; K290-A293 PolarHBondContact O-N 3.41Å; A293-K295 PolarHBondContact O-N 3.4Å; A293-K295 VanDerWaalsContact O-N 3.09Å; A293-R296 PolarHBondContact O-N 3.47Å |
| 294 | K | 58.9 | Low | 60.2 | Low | 155 Ų | 155 | 66.7 Ų | 66.7 | 67% | 0.674 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -57.1 | -26.9 | 175 | -76.6 | -175.9 | 178.1 | -173.1 | 0 | 113.2 | K290 | K290-K294 WeakPolarHBondContact O-CG 3.35Å; K290-K294 PolarHBondContact O-N 3.02Å; K290-K294 VanDerWaalsContact O-N 3.09Å |
| 295 | K | 51.6 | Low | 58.3 | Low | 59 Ų | 59 | 74.6 Ų | 74.6 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -86 | -25.2 | 177.9 | -154.8 | -175.5 | 177.9 | -173.4 | 0 | 113.1 | N292 A293 I298 L299 | N292-K295 PolarHBondContact O-N 3.41Å; A293-K295 PolarHBondContact O-N 3.4Å; A293-K295 VanDerWaalsContact O-N 3.09Å; K295-I298 PolarHBondContact O-N 3.09Å; K295-L299 HydrophobicContact CD-CD1 4.21Å; K295-L299 HydrophobicContact CG-CD1 4.06Å; K295-L299 WeakPolarHBondContact O-CB 3.44Å; K295-L299 PolarHBondContact O-N 3.09Å |
| 296 | R | 49.2 | Very low | 57.3 | Low | 90 Ų | 90 | 75 Ų | 75 | 34% | 0.34 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 174.5 | -86.2 | -176.4 | 173.4 | 170.3 | -8.7 | 110.8 | N292 A293 I298 L299 D300 | N292-R296 PolarHBondContact O-N 2.85Å; A293-R296 PolarHBondContact O-N 3.47Å; R296-I298 PolarHBondContact O-N 2.84Å; R296-L299 CarbonylContact O-C 3.27Å; R296-L299 PolarHBondContact O-N 2.9Å; R296-D300 VanDerWaalsContact O-CB 3.29Å; R296-D300 WeakPolarHBondContact O-CB 3.03Å; R296-D300 PolarHBondContact O-N 2.76Å; R296-D300 VanDerWaalsContact O-OD2 3.11Å |
| 297 | L | 48.6 | Very low | 56.1 | Low | 119 Ų | 119 | 80.7 Ų | 80.7 | 62% | 0.623 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -53.3 | -42.3 | 173.5 | -71.8 | 166.3 | 0 | 0 | 0 | 112.5 | D301 | L297-D301 VanDerWaalsContact O-CB 3.25Å; L297-D301 WeakPolarHBondContact O-CB 3.26Å; L297-D301 PolarHBondContact O-N 3.11Å |
| 298 | I | 46.4 | Very low | 54.8 | Low | 99 Ų | 99 | 82.9 Ų | 82.9 | 51% | 0.508 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.5 | -39.2 | 177.8 | -59.5 | 169.4 | 0 | 0 | 0 | 112 | K295 R296 V302 | K295-I298 PolarHBondContact O-N 3.09Å; R296-I298 PolarHBondContact O-N 2.84Å; I298-V302 HydrophobicContact CG2-CG2 4.49Å; I298-V302 WeakPolarHBondContact O-CB 3.45Å; I298-V302 WeakPolarHBondContact O-CG2 3.49Å; I298-V302 PolarHBondContact O-N 3.48Å |
| 299 | L | 43.2 | Very low | 53.6 | Low | 77 Ų | 77 | 84.7 Ų | 84.7 | 40% | 0.403 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.5 | -37.6 | 177.5 | -90.4 | 153.3 | 0 | 0 | 0 | 111.9 | K295 R296 V302 H303 | K295-L299 HydrophobicContact CD-CD1 4.21Å; K295-L299 HydrophobicContact CG-CD1 4.06Å; K295-L299 WeakPolarHBondContact O-CB 3.44Å; K295-L299 PolarHBondContact O-N 3.09Å; R296-L299 CarbonylContact O-C 3.27Å; R296-L299 PolarHBondContact O-N 2.9Å; L299-V302 PolarHBondContact O-N 2.78Å; L299-H303 WeakPolarHBondContact O-CB 3.29Å; L299-H303 PolarHBondContact O-CD2 2.8Å; L299-H303 PolarHBondContact O-N 2.84Å |
| 300 | D | 47.1 | Very low | 52.5 | Low | 96 Ų | 96 | 86.6 Ų | 86.6 | 51% | 0.513 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -71.2 | -37.2 | 176.3 | -61.1 | -25 | 0 | 0 | 0 | 109.9 | R296 S304 | R296-D300 VanDerWaalsContact O-CB 3.29Å; R296-D300 WeakPolarHBondContact O-CB 3.03Å; R296-D300 PolarHBondContact O-N 2.76Å; R296-D300 VanDerWaalsContact O-OD2 3.11Å; D300-S304 VanDerWaalsContact O-CB 3.25Å; D300-S304 WeakPolarHBondContact O-CB 3.27Å; D300-S304 PolarHBondContact O-N 3.28Å; D300-S304 PolarHBondContact O-OG 3.42Å |
| 301 | D | 44.4 | Very low | 51.3 | Low | 84 Ų | 84 | 85.6 Ų | 85.6 | 45% | 0.449 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 169.9 | -79.5 | -11.4 | 0 | 0 | 0 | 112.4 | L297 S304 R305 | L297-D301 VanDerWaalsContact O-CB 3.25Å; L297-D301 WeakPolarHBondContact O-CB 3.26Å; L297-D301 PolarHBondContact O-N 3.11Å; D301-S304 VanDerWaalsContact CA-OG 3.28Å; D301-S304 WeakPolarHBondContact CA-OG 3.36Å; D301-S304 PolarHBondContact O-OG 3.5Å; D301-R305 WeakPolarHBondContact O-CB 3.27Å; D301-R305 WeakPolarHBondContact O-CG 3.27Å; D301-R305 PolarHBondContact O-N 2.84Å; D301-R305 VanDerWaalsContact O-N 3.13Å |
| 302 | V | 49.1 | Very low | 49.9 | Very low | 68 Ų | 68 | 90 Ų | 90 | 41% | 0.412 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.1 | -41.5 | 176.4 | 169.6 | 0 | 0 | 0 | 0 | 111 | I298 L299 R305 Q306 | I298-V302 HydrophobicContact CG2-CG2 4.49Å; I298-V302 WeakPolarHBondContact O-CB 3.45Å; I298-V302 WeakPolarHBondContact O-CG2 3.49Å; I298-V302 PolarHBondContact O-N 3.48Å; L299-V302 PolarHBondContact O-N 2.78Å; V302-R305 PolarHBondContact O-N 3.28Å; V302-Q306 WeakPolarHBondContact O-CB 3.25Å; V302-Q306 WeakPolarHBondContact O-CG 3.41Å; V302-Q306 PolarHBondContact O-N 2.74Å |
| 303 | H | 44.4 | Very low | 48.9 | Very low | 99 Ų | 99 | 94 Ų | 94 | 46% | 0.458 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 176.1 | -92 | -62.9 | 0 | 0 | 0 | 112.3 | L299 Q306 Q307 | L299-H303 WeakPolarHBondContact O-CB 3.29Å; L299-H303 PolarHBondContact O-CD2 2.8Å; L299-H303 PolarHBondContact O-N 2.84Å; H303-Q306 PolarHBondContact O-N 3.36Å; H303-Q307 WeakPolarHBondContact O-CB 3.33Å; H303-Q307 WeakPolarHBondContact O-CG 3.39Å; H303-Q307 PolarHBondContact O-N 3.49Å |
| 304 | S | 50.5 | Low | 48 | Very low | 57 Ų | 57 | 98.3 Ų | 98.3 | 40% | 0.399 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.3 | -34.3 | 174.5 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | D300 D301 S308 | D300-S304 VanDerWaalsContact O-CB 3.25Å; D300-S304 WeakPolarHBondContact O-CB 3.27Å; D300-S304 PolarHBondContact O-N 3.28Å; D300-S304 PolarHBondContact O-OG 3.42Å; D301-S304 VanDerWaalsContact CA-OG 3.28Å; D301-S304 WeakPolarHBondContact CA-OG 3.36Å; D301-S304 PolarHBondContact O-OG 3.5Å; S304-S308 WeakPolarHBondContact O-CB 3.3Å; S304-S308 PolarHBondContact O-N 3.28Å; S304-S308 PolarHBondContact O-OG 2.97Å |
| 305 | R | 43.8 | Very low | 47.2 | Very low | 174 Ų | 174 | 96.7 Ų | 96.7 | 66% | 0.657 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.8 | -39.9 | 169.6 | -74.4 | 176.7 | -155 | -155 | 5.2 | 112.7 | D301 V302 S308 S309 | D301-R305 WeakPolarHBondContact O-CB 3.27Å; D301-R305 WeakPolarHBondContact O-CG 3.27Å; D301-R305 PolarHBondContact O-N 2.84Å; D301-R305 VanDerWaalsContact O-N 3.13Å; V302-R305 PolarHBondContact O-N 3.28Å; R305-S308 WeakPolarHBondContact CA-OG 3.28Å; R305-S308 PolarHBondContact O-OG 2.99Å; R305-S308 VanDerWaalsContact O-OG 3.06Å; R305-S309 WeakPolarHBondContact O-CB 3.29Å; R305-S309 PolarHBondContact O-N 3.46Å; R305-S309 PolarHBondContact O-OG 3.23Å |
| 306 | Q | 52.7 | Low | 46.4 | Very low | 110 Ų | 110 | 100.9 Ų | 100.9 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 176.1 | -79.8 | -176.5 | -26.1 | 0 | 0 | 111.9 | V302 H303 S309 S310 | V302-Q306 WeakPolarHBondContact O-CB 3.25Å; V302-Q306 WeakPolarHBondContact O-CG 3.41Å; V302-Q306 PolarHBondContact O-N 2.74Å; H303-Q306 PolarHBondContact O-N 3.36Å; Q306-S309 WeakPolarHBondContact CA-OG 3.39Å; Q306-S309 PolarHBondContact O-N 3.03Å; Q306-S309 PolarHBondContact O-OG 3.19Å; Q306-S310 WeakPolarHBondContact O-CB 3.44Å; Q306-S310 PolarHBondContact O-N 2.83Å; Q306-S310 PolarHBondContact O-OG 3.36Å |
| 307 | Q | 52 | Low | 45.9 | Very low | 132 Ų | 132 | 103.7 Ų | 103.7 | 62% | 0.617 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.2 | -42.8 | 176 | -77.8 | 179.6 | -11.4 | 0 | 0 | 111.8 | H303 S309 S310 S311 | H303-Q307 WeakPolarHBondContact O-CB 3.33Å; H303-Q307 WeakPolarHBondContact O-CG 3.39Å; H303-Q307 PolarHBondContact O-N 3.49Å; Q307-S309 VanDerWaalsContact C-N 3.35Å; Q307-S309 PolarHBondContact O-N 3.28Å; Q307-S310 VanDerWaalsContact CA-OG 3.29Å; Q307-S310 WeakPolarHBondContact CA-OG 3.25Å; Q307-S310 PolarHBondContact O-N 2.9Å; Q307-S310 PolarHBondContact O-OG 3.44Å; Q307-S311 PolarHBondContact O-N 3.44Å; Q307-S311 PolarHBondContact O-OG 2.67Å; Q307-S311 VanDerWaalsContact O-OG 3.08Å |
| 308 | S | 49.6 | Very low | 45.3 | Very low | 59 Ų | 59 | 107.1 Ų | 107.1 | 41% | 0.413 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.5 | -32.7 | 176.5 | 47.4 | 0 | 0 | 0 | 0 | 113 | S304 R305 S311 L312 | S304-S308 WeakPolarHBondContact O-CB 3.3Å; S304-S308 PolarHBondContact O-N 3.28Å; S304-S308 PolarHBondContact O-OG 2.97Å; R305-S308 WeakPolarHBondContact CA-OG 3.28Å; R305-S308 PolarHBondContact O-OG 2.99Å; R305-S308 VanDerWaalsContact O-OG 3.06Å; S308-S311 WeakPolarHBondContact CA-OG 3.18Å; S308-S311 PolarHBondContact O-OG 3.21Å; S308-L312 WeakPolarHBondContact O-CD1 3.42Å; S308-L312 PolarHBondContact O-N 3.26Å |
| 309 | S | 50.2 | Low | 44.7 | Very low | 58 Ų | 58 | 110.7 Ų | 110.7 | 41% | 0.406 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -77 | -32.3 | 172.7 | 40.2 | 0 | 0 | 0 | 0 | 113.4 | R305 Q306 Q307 L312 Q313 | R305-S309 WeakPolarHBondContact O-CB 3.29Å; R305-S309 PolarHBondContact O-N 3.46Å; R305-S309 PolarHBondContact O-OG 3.23Å; Q306-S309 WeakPolarHBondContact CA-OG 3.39Å; Q306-S309 PolarHBondContact O-N 3.03Å; Q306-S309 PolarHBondContact O-OG 3.19Å; Q307-S309 VanDerWaalsContact C-N 3.35Å; Q307-S309 PolarHBondContact O-N 3.28Å; S309-L312 PolarHBondContact O-N 3.16Å; S309-Q313 PolarHBondContact O-N 3.19Å; S309-Q313 VanDerWaalsContact O-N 3.09Å |
| 310 | S | 48.5 | Very low | 44.2 | Very low | 52 Ų | 52 | 112.9 Ų | 112.9 | 36% | 0.364 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71.2 | -33 | 171.4 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | Q306 Q307 L312 Q313 Q314 | Q306-S310 WeakPolarHBondContact O-CB 3.44Å; Q306-S310 PolarHBondContact O-N 2.83Å; Q306-S310 PolarHBondContact O-OG 3.36Å; Q307-S310 VanDerWaalsContact CA-OG 3.29Å; Q307-S310 WeakPolarHBondContact CA-OG 3.25Å; Q307-S310 PolarHBondContact O-N 2.9Å; Q307-S310 PolarHBondContact O-OG 3.44Å; S310-L312 VanDerWaalsContact C-N 3.3Å; S310-L312 PolarHBondContact O-N 3.12Å; S310-Q313 PolarHBondContact O-N 3.11Å; S310-Q314 WeakPolarHBondContact O-CB 3.41Å; S310-Q314 WeakPolarHBondContact O-CG 3.16Å; S310-Q314 PolarHBondContact O-N 3.04Å |
| 311 | S | 46.1 | Very low | 43.6 | Very low | 65 Ų | 65 | 114 Ų | 114 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.1 | -25.3 | 172.8 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | Q307 S308 | Q307-S311 PolarHBondContact O-N 3.44Å; Q307-S311 PolarHBondContact O-OG 2.67Å; Q307-S311 VanDerWaalsContact O-OG 3.08Å; S308-S311 WeakPolarHBondContact CA-OG 3.18Å; S308-S311 PolarHBondContact O-OG 3.21Å |
| 312 | L | 43.4 | Very low | 42.9 | Very low | 131 Ų | 131 | 117.3 Ų | 117.3 | 69% | 0.686 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -78.8 | -26.6 | 171.8 | -82.7 | 156.7 | 0 | 0 | 0 | 112.5 | S308 S309 S310 | S308-L312 WeakPolarHBondContact O-CD1 3.42Å; S308-L312 PolarHBondContact O-N 3.26Å; S309-L312 PolarHBondContact O-N 3.16Å; S310-L312 VanDerWaalsContact C-N 3.3Å; S310-L312 PolarHBondContact O-N 3.12Å |
| 313 | Q | 44.2 | Very low | 42.1 | Very low | 136 Ų | 136 | 122.5 Ų | 122.5 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -87.1 | -19.7 | 175.6 | -75.3 | -179.4 | -25.8 | 0 | 0 | 113.9 | S309 S310 | S309-Q313 PolarHBondContact O-N 3.19Å; S309-Q313 VanDerWaalsContact O-N 3.09Å; S310-Q313 PolarHBondContact O-N 3.11Å |
| 314 | Q | 44.6 | Very low | 41.8 | Very low | 144 Ų | 144 | 126.8 Ų | 126.8 | 67% | 0.673 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -81.5 | -11.1 | 175.7 | -82 | -176 | -37.9 | 0 | 0 | 114.5 | S310 | S310-Q314 WeakPolarHBondContact O-CB 3.41Å; S310-Q314 WeakPolarHBondContact O-CG 3.16Å; S310-Q314 PolarHBondContact O-N 3.04Å |
| 315 | V | 40.7 | Very low | 40.8 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 74% | 0.739 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -83.4 | -15.7 | 172.7 | 179.3 | 0 | 0 | 0 | 0 | 112 | ||
| 316 | D | 36.3 | Very low | 40.1 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -105.6 | 8 | 179.4 | -82.6 | -23.7 | 0 | 0 | 0 | 114.4 | ||
| 317 | Q | 38.7 | Very low | 39.2 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 70% | 0.696 | 69% | 0.685 | S | S | * | * | trans | -122.2 | 11.5 | -174.8 | -77.8 | -172.6 | -16.7 | 0 | 0 | 116.2 | Q319 | Q317-Q319 PolarHBondContact O-N 3.03Å; Q317-Q319 VanDerWaalsContact O-N 3.14Å | ||
| 318 | E | 35.8 | Very low | 38.2 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 89% | 0.888 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -73.5 | 8.2 | 169.8 | -83.6 | -169.8 | 158.2 | 0 | 0 | 114.4 | ||
| 319 | Q | 33.8 | Very low | 37.3 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -131.2 | 68.3 | 175.9 | -68.2 | -175.5 | -4.1 | 0 | 0 | 111.9 | Q317 | Q317-Q319 PolarHBondContact O-N 3.03Å; Q317-Q319 VanDerWaalsContact O-N 3.14Å |
| 320 | T | 33.3 | Very low | 36.2 | Very low | 123 Ų | 123 | 140 Ų | 140 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | trans | -173.9 | 84.2 | 147.2 | 15.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 321 | T | 34.3 | Very low | 35.5 | Very low | 118 Ų | 118 | 146 Ų | 146 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | trans | 26.6 | 120 | 133.3 | 51.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 322 | L | 28.9 | Very low | 34.6 | Very low | 155 Ų | 155 | 150.4 Ų | 150.4 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | 31.9 | 108.3 | 123 | -90.6 | 90 | 0 | 0 | 0 | 116.3 | |||||
| 323 | H | 33.3 | Very low | 33.7 | Very low | 176 Ų | 176 | 152.6 Ų | 152.6 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | 173.6 | 143.9 | 123.6 | -105.1 | -74.5 | 0 | 0 | 0 | 112 | |||||
| 324 | K | 36.6 | Very low | 32.9 | Very low | 190 Ų | 190 | 153.8 Ų | 153.8 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | 93.2 | 86.5 | 155.9 | -68.1 | 167.5 | -178.2 | -178.1 | 0 | 118.2 | ||||
| 325 | S | 29.8 | Very low | 31.9 | Very low | 99 Ų | 99 | 153.1 Ų | 153.1 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -46.6 | 156.3 | 145.5 | 53.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 326 | Q | 29.7 | Very low | 31.5 | Very low | 175 Ų | 175 | 154.5 Ų | 154.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 74.2 | 115.4 | 149.8 | -71.6 | 172.2 | -2.5 | 0 | 0 | 119 | ||||
| 327 | Q | 33 | Very low | 30.9 | Very low | 164 Ų | 164 | 154.1 Ų | 154.1 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | 174.8 | 133.8 | 106.7 | -94.7 | 177.2 | 8.1 | 0 | 0 | 113.4 | |||||
| 328 | K | 32.4 | Very low | 30.5 | Very low | 173 Ų | 173 | 154.2 Ų | 154.2 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | 63 | 148.5 | 141.2 | -76.8 | 176.5 | 171.2 | 175.7 | 0 | 119.6 | ||||
| 329 | N | 29.4 | Very low | 30 | Very low | 131 Ų | 131 | 151.7 Ų | 151.7 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -174.7 | 149.4 | -22.5 | -120.2 | 4.9 | 0 | 0 | 0 | 105.6 | ||||
| 330 | M | 28.2 | Very low | 29.6 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 61% | 0.611 | 76% | 0.76 | S | S | * | * | trans | 49 | 130.5 | 147.5 | -62.8 | -169.1 | 76 | 0 | 0 | 121.3 | E332 | M330-E332 VanDerWaalsContact CE-CD 3.43Å; M330-E332 HydrophobicContact CE-CG 3.74Å; M330-E332 WeakPolarHBondContact CE-OE1 3.4Å | ||
| 331 | I | 32.3 | Very low | 29.2 | Very low | 178 Ų | 178 | 149.9 Ų | 149.9 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | -156.1 | 136.2 | 113.1 | -88.1 | 151.1 | 0 | 0 | 0 | 108.3 | |||||
| 332 | E | 28.4 | Very low | 28.8 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -79.6 | 160.6 | -163.2 | -77.4 | 159.5 | 138.2 | 0 | 0 | 116.4 | M330 | M330-E332 VanDerWaalsContact CE-CD 3.43Å; M330-E332 HydrophobicContact CE-CG 3.74Å; M330-E332 WeakPolarHBondContact CE-OE1 3.4Å | ||
| 333 | F | 23.3 | Very low | 28.6 | Very low | 177 Ų | 177 | 152.7 Ų | 152.7 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -55.1 | 150.3 | 159.6 | -84.8 | -107.3 | 0 | 0 | 0 | 112.7 | ||||
| 334 | N | 27.6 | Very low | 28.4 | Very low | 162 Ų | 162 | 152.3 Ų | 152.3 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -147.4 | 122.6 | 139.6 | -97.4 | -24.9 | 0 | 0 | 0 | 110.8 | ||||
| 335 | I | 25.4 | Very low | 28 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | trans | -94.4 | 130.9 | 167.7 | -66.8 | 166.1 | 0 | 0 | 0 | 105.6 | ||||
| 336 | I | 31.5 | Very low | 28.1 | Very low | 150 Ų | 150 | 154.8 Ų | 154.8 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -135.9 | 113.2 | 160.1 | -63.9 | -178.3 | 0 | 0 | 0 | 106.9 | ||||
| 337 | D | 24.5 | Very low | 28.4 | Very low | 140 Ų | 140 | 150.6 Ų | 150.6 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -65.5 | 140.5 | 158.3 | -78.5 | -45.3 | 0 | 0 | 0 | 109.1 | ||||
| 338 | D | 29.1 | Very low | 28.9 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | trans | -167.8 | 102.6 | 147.8 | -97.4 | -20.6 | 0 | 0 | 0 | 110.6 | ||||
| 339 | D | 24.6 | Very low | 29.4 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | 33.4 | 131.7 | 125.6 | -93.5 | -11.7 | 0 | 0 | 0 | 123.3 | |||||
| 340 | I | 25.3 | Very low | 30.5 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 68% | 0.677 | 73% | 0.732 | S | S | * | * | trans | 66.2 | 106.6 | 137.5 | -50.4 | 161.8 | 0 | 0 | 0 | 117.5 | ||||
| 341 | T | 26.6 | Very low | 32.7 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | 169.1 | 134 | 110.7 | 34 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 342 | N | 24.7 | Very low | 34.7 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 69% | 0.685 | S | S | * | * | trans | -1.7 | 153.6 | 151.3 | -72.1 | -24.6 | 0 | 0 | 0 | 121.3 | ||||
| 343 | E | 25.8 | Very low | 37.2 | Very low | 182 Ų | 182 | 130.1 Ų | 130.1 | 85% | 0.85 | 66% | 0.656 | S | S | * | * | trans | 77.1 | 87.4 | 164.2 | -63 | -179.4 | 171.3 | 0 | 0 | 116.9 | ||||
| 344 | K | 28.4 | Very low | 40 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 73% | 0.73 | 64% | 0.637 | S | S | * | * | trans | 179.3 | 65.4 | 147.1 | -97.8 | 155.8 | -162.6 | 179.9 | 0 | 111.3 | Q346 T347 | K344-Q346 VanDerWaalsContact C-N 3.33Å; K344-T347 HydrophobicContact CG-CG2 4.37Å; K344-T347 PolarHBondContact O-OG1 3.39Å | ||
| 345 | D | 28.8 | Very low | 42.4 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 80% | 0.802 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -93.9 | 15.1 | 175.2 | -116.4 | -2.5 | 0 | 0 | 0 | 113.6 | ||
| 346 | Q | 32.1 | Very low | 45.2 | Very low | 190 Ų | 190 | 116.8 Ų | 116.8 | 89% | 0.888 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -113.4 | -0.9 | 176.4 | -82.6 | 172.2 | -14.5 | 0 | 0 | 114.5 | K344 | K344-Q346 VanDerWaalsContact C-N 3.33Š|
| 347 | T | 35.1 | Very low | 47.6 | Very low | 88 Ų | 88 | 111.4 Ų | 111.4 | 54% | 0.54 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -100.8 | -5.2 | -172.7 | 41.4 | 0 | 0 | 0 | 0 | 115.7 | K344 E349 | K344-T347 HydrophobicContact CG-CG2 4.37Å; K344-T347 PolarHBondContact O-OG1 3.39Å; T347-E349 PolarHBondContact O-N 2.79Å |
| 348 | K | 43.6 | Very low | 50.4 | Low | 142 Ų | 142 | 109.2 Ų | 109.2 | 62% | 0.617 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -80.9 | -11.4 | -175.6 | -75.2 | 178.5 | 179.6 | 163.7 | 0 | 115.1 | ||
| 349 | E | 43.8 | Very low | 52.7 | Low | 133 Ų | 133 | 105.4 Ų | 105.4 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -81.6 | -18.6 | -174.5 | -70.2 | -172.4 | 173 | 0 | 0 | 114.1 | N281 T347 | N281-E349 PolarHBondContact ND2-O 3.1Å; N281-E349 PolarHBondContact OD1-O 3.35Å; N281-E349 VanDerWaalsContact OD1-O 3.06Å; T347-E349 PolarHBondContact O-N 2.79Å |
| 350 | D | 52 | Low | 55.4 | Low | 81 Ų | 81 | 103.8 Ų | 103.8 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -87.7 | -2.6 | -179 | -94.1 | -29.8 | 0 | 0 | 0 | 114.6 | A352 | D350-A352 PolarHBondContact O-N 3.36Š|
| 351 | E | 74.3 | Confident | 58 | Low | 105 Ų | 105 | 104 Ų | 104 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68 | -36.9 | -169.6 | -79.3 | -173.4 | -178.8 | 0 | 0 | 114.4 | Q355 | E351-Q355 WeakPolarHBondContact O-CB 3.36Å; E351-Q355 WeakPolarHBondContact O-CG 3.42Å; E351-Q355 PolarHBondContact O-N 3.13Å |
| 352 | A | 73.7 | Confident | 60.5 | Low | 4 Ų | 4 | 99.6 Ų | 99.6 | 3% | 0.033 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -73.7 | -38.7 | -169 | 0 | 0 | 0 | 0 | 0 | 113 | N281 W284 R285 D350 F356 | N281-A352 HydrophobicContact CB-CB 4.19Å; N281-A352 VanDerWaalsContact OD1-CB 3.23Å; N281-A352 WeakPolarHBondContact OD1-CB 3.46Å; W284-A352 HydrophobicContact CB-CB 4.1Å; R285-A352 HydrophobicContact CG-CB 4.07Å; D350-A352 PolarHBondContact O-N 3.36Å; A352-F356 VanDerWaalsContact O-CB 3.31Å; A352-F356 WeakPolarHBondContact O-CB 3.29Å; A352-F356 PolarHBondContact O-N 3.01Å |
| 353 | Y | 80.9 | Confident | 62.6 | Low | 33 Ų | 33 | 94.3 Ų | 94.3 | 13% | 0.129 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66.9 | -46.1 | 176.2 | 177.8 | -115.1 | 0 | 0 | 0 | 111 | R278 W284 F356 L357 | R278-Y353 HydrophobicContact CG-CD1 3.97Å; R278-Y353 HydrophobicContact CG-CE1 4.19Å; R278-Y353 HydrophobicContact CG-CG 4.26Å; W284-Y353 AromaticContact CD2-CD2 3.57Å; W284-Y353 HydrophobicContact CD2-CD2 3.57Å; W284-Y353 HydrophobicContact CD2-CE2 4.33Å; W284-Y353 HydrophobicContact CD2-CG 4.5Å; W284-Y353 AromaticContact CE2-CD2 3.28Å; W284-Y353 AromaticContact CE2-CE2 3.85Å; W284-Y353 AromaticContact CE3-CD2 3.97Å; W284-Y353 HydrophobicContact CE3-CD2 3.97Å; W284-Y353 HydrophobicContact CE3-CE2 4.44Å; W284-Y353 HydrophobicContact CG-CD2 4.09Å; W284-Y353 AromaticContact CH2-CD2 3.87Å; W284-Y353 HydrophobicContact CH2-CD2 3.87Å; W284-Y353 AromaticContact CH2-CE2 3.62Å; W284-Y353 HydrophobicContact CH2-CE2 3.62Å; W284-Y353 AromaticContact CZ2-CD2 3.44Å; W284-Y353 HydrophobicContact CZ2-CD2 3.44Å; W284-Y353 VanDerWaalsContact CZ2-CD2 3.44Å; W284-Y353 AromaticContact CZ2-CE2 3.47Å; W284-Y353 HydrophobicContact CZ2-CE2 3.47Å; W284-Y353 VanDerWaalsContact CZ2-CE2 3.47Å; W284-Y353 HydrophobicContact CZ3-CD2 4.12Å; W284-Y353 HydrophobicContact CZ3-CE2 4.12Å; W284-Y353 AromaticContact NE1-CD2 3.65Å; Y353-F356 WeakPolarHBondContact O-CB 3.45Å; Y353-F356 PolarHBondContact O-N 2.75Å; Y353-L357 HydrophobicContact CD1-CD1 3.94Å; Y353-L357 HydrophobicContact CD1-CG 4.39Å; Y353-L357 HydrophobicContact CD2-CG 4.35Å; Y353-L357 HydrophobicContact CE1-CD1 3.35Å; Y353-L357 HydrophobicContact CE1-CG 4.01Å; Y353-L357 HydrophobicContact CE2-CD1 4.2Å; Y353-L357 HydrophobicContact CE2-CD2 4.13Å; Y353-L357 HydrophobicContact CE2-CG 3.99Å; Y353-L357 WeakPolarHBondContact O-CG 3.41Å; Y353-L357 PolarHBondContact O-N 2.86Å |
| 354 | E | 81.6 | Confident | 64.5 | Low | 83 Ų | 83 | 91 Ų | 91 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.6 | -39 | 178.6 | -68.6 | -56 | 147.3 | 0 | 0 | 112.4 | F356 L357 T358 | E354-F356 VanDerWaalsContact C-N 3.32Å; E354-F356 PolarHBondContact O-N 2.82Å; E354-L357 PolarHBondContact O-N 3.28Å; E354-T358 VanDerWaalsContact O-CB 3.27Å; E354-T358 WeakPolarHBondContact O-CB 3.48Å; E354-T358 PolarHBondContact O-N 2.91Å; E354-T358 PolarHBondContact O-OG1 3.35Å |
| 355 | Q | 79 | Confident | 66.5 | Low | 99 Ų | 99 | 87.8 Ų | 87.8 | 46% | 0.463 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 171.3 | -76.1 | 172.4 | 19.7 | 0 | 0 | 111.4 | L288 E351 R359 | L288-Q355 HydrophobicContact CD2-CB 4.41Å; E351-Q355 WeakPolarHBondContact O-CB 3.36Å; E351-Q355 WeakPolarHBondContact O-CG 3.42Å; E351-Q355 PolarHBondContact O-N 3.13Å; Q355-R359 VanDerWaalsContact O-CB 3.29Å; Q355-R359 WeakPolarHBondContact O-CB 3.48Å; Q355-R359 PolarHBondContact O-N 3.24Å |
| 356 | F | 83.1 | Confident | 67.9 | Low | 6 Ų | 6 | 89 Ų | 89 | 3% | 0.026 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 174.8 | 173.5 | -91.4 | 0 | 0 | 0 | 111.5 | L260 W284 Q287 L288 L291 A352 Y353 E354 T358 R359 Y360 | L260-F356 HydrophobicContact CD1-CE1 4.01Å; L260-F356 HydrophobicContact CD1-CE2 4.48Å; L260-F356 HydrophobicContact CD1-CZ 3.57Å; L260-F356 HydrophobicContact CD2-CE1 4.45Å; L260-F356 HydrophobicContact CD2-CZ 3.72Å; L260-F356 HydrophobicContact CG-CZ 4.31Å; W284-F356 HydrophobicContact CB-CB 4.38Å; W284-F356 HydrophobicContact CE3-CB 4.32Å; W284-F356 AromaticContact CE3-CD1 3.56Å; W284-F356 HydrophobicContact CE3-CD1 3.56Å; W284-F356 HydrophobicContact CE3-CD2 4.31Å; W284-F356 AromaticContact CE3-CE1 3.93Å; W284-F356 HydrophobicContact CE3-CE1 3.93Å; W284-F356 AromaticContact CE3-CG 3.79Å; W284-F356 HydrophobicContact CE3-CG 3.79Å; W284-F356 HydrophobicContact CE3-CZ 4.43Å; W284-F356 AromaticContact CZ3-CD1 3.68Å; W284-F356 HydrophobicContact CZ3-CD1 3.68Å; W284-F356 AromaticContact CZ3-CE1 3.63Å; W284-F356 HydrophobicContact CZ3-CE1 3.63Å; W284-F356 HydrophobicContact CZ3-CG 4.35Å; W284-F356 HydrophobicContact CZ3-CZ 4.23Å; Q287-F356 HydrophobicContact CB-CD2 3.9Å; Q287-F356 HydrophobicContact CB-CE2 3.5Å; Q287-F356 VanDerWaalsContact CB-CE2 3.5Å; Q287-F356 HydrophobicContact CB-CZ 4.25Å; L288-F356 HydrophobicContact CB-CD2 4.2Å; L291-F356 HydrophobicContact CD1-CD2 3.71Å; L291-F356 HydrophobicContact CD1-CE2 3.2Å; L291-F356 HydrophobicContact CD1-CZ 3.91Å; L291-F356 HydrophobicContact CG-CE2 3.97Å; A352-F356 VanDerWaalsContact O-CB 3.31Å; A352-F356 WeakPolarHBondContact O-CB 3.29Å; A352-F356 PolarHBondContact O-N 3.01Å; Y353-F356 WeakPolarHBondContact O-CB 3.45Å; Y353-F356 PolarHBondContact O-N 2.75Å; E354-F356 VanDerWaalsContact C-N 3.32Å; E354-F356 PolarHBondContact O-N 2.82Å; F356-T358 PolarHBondContact O-N 3.02Å; F356-R359 PolarHBondContact O-N 3.49Å; F356-Y360 HydrophobicContact CZ-CD2 4.22Å; F356-Y360 VanDerWaalsContact O-CB 3.27Å; F356-Y360 WeakPolarHBondContact O-CB 3.32Å; F356-Y360 PolarHBondContact O-N 3.08Å |
| 357 | L | 83.5 | Confident | 69 | Low | 38 Ų | 38 | 90.7 Ų | 90.7 | 20% | 0.199 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 178.6 | -75.6 | -175.4 | 0 | 0 | 0 | 111.9 | Y353 E354 R359 Y360 K361 | Y353-L357 HydrophobicContact CD1-CD1 3.94Å; Y353-L357 HydrophobicContact CD1-CG 4.39Å; Y353-L357 HydrophobicContact CD2-CG 4.35Å; Y353-L357 HydrophobicContact CE1-CD1 3.35Å; Y353-L357 HydrophobicContact CE1-CG 4.01Å; Y353-L357 HydrophobicContact CE2-CD1 4.2Å; Y353-L357 HydrophobicContact CE2-CD2 4.13Å; Y353-L357 HydrophobicContact CE2-CG 3.99Å; Y353-L357 WeakPolarHBondContact O-CG 3.41Å; Y353-L357 PolarHBondContact O-N 2.86Å; E354-L357 PolarHBondContact O-N 3.28Å; L357-R359 VanDerWaalsContact C-N 3.3Å; L357-R359 PolarHBondContact O-N 3.29Å; L357-Y360 PolarHBondContact O-N 2.89Å; L357-K361 WeakPolarHBondContact O-CB 3.39Å; L357-K361 VanDerWaalsContact O-CG 3.3Å; L357-K361 WeakPolarHBondContact O-CG 3.32Å; L357-K361 PolarHBondContact O-N 2.71Å |
| 358 | T | 83.4 | Confident | 69.4 | Low | 93 Ų | 93 | 98.4 Ų | 98.4 | 57% | 0.571 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -58.4 | -45.8 | 177.5 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | E354 F356 S362 | E354-T358 VanDerWaalsContact O-CB 3.27Å; E354-T358 WeakPolarHBondContact O-CB 3.48Å; E354-T358 PolarHBondContact O-N 2.91Å; E354-T358 PolarHBondContact O-OG1 3.35Å; F356-T358 PolarHBondContact O-N 3.02Å; T358-S362 WeakPolarHBondContact O-CB 3.48Å; T358-S362 PolarHBondContact O-N 3.41Å |
| 359 | R | 76.7 | Confident | 70.7 | Confident | 71 Ų | 71 | 96.3 Ų | 96.3 | 27% | 0.268 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 177.6 | -175.2 | 53.9 | 171.6 | 168.5 | -10 | 111.9 | L288 N292 Q355 F356 L357 S362 L363 | L288-R359 HydrophobicContact CD1-CB 3.76Å; L288-R359 HydrophobicContact CD1-CG 3.79Å; N292-R359 PolarHBondContact OD1-NE 3.01Å; Q355-R359 VanDerWaalsContact O-CB 3.29Å; Q355-R359 WeakPolarHBondContact O-CB 3.48Å; Q355-R359 PolarHBondContact O-N 3.24Å; F356-R359 PolarHBondContact O-N 3.49Å; L357-R359 VanDerWaalsContact C-N 3.3Å; L357-R359 PolarHBondContact O-N 3.29Å; R359-S362 PolarHBondContact NH1-OG 3.34Å; R359-S362 PolarHBondContact O-N 2.84Å; R359-S362 PolarHBondContact O-OG 2.89Å; R359-L363 HydrophobicContact CG-CD1 4.48Å; R359-L363 WeakPolarHBondContact O-CG 3.5Å; R359-L363 PolarHBondContact O-N 2.87Å; R359-L363 VanDerWaalsContact O-N 3.12Å |
| 360 | Y | 80.2 | Confident | 72.1 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 40% | 0.4 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 179.2 | -172.2 | -96.2 | 0 | 0 | 0 | 111.4 | L260 L291 F356 L357 S362 L363 F364 | L260-Y360 HydrophobicContact CD2-CD2 4.3Å; L260-Y360 HydrophobicContact CD2-CE2 3.83Å; L291-Y360 HydrophobicContact CD1-CD2 4.17Å; L291-Y360 HydrophobicContact CD2-CD2 4.44Å; F356-Y360 HydrophobicContact CZ-CD2 4.22Å; F356-Y360 VanDerWaalsContact O-CB 3.27Å; F356-Y360 WeakPolarHBondContact O-CB 3.32Å; F356-Y360 PolarHBondContact O-N 3.08Å; L357-Y360 PolarHBondContact O-N 2.89Å; Y360-S362 PolarHBondContact O-N 2.87Å; Y360-L363 PolarHBondContact O-N 3.24Å; Y360-L363 VanDerWaalsContact O-N 3.16Å; Y360-F364 PolarHBondContact O-N 3.29Å |
| 361 | K | 81.5 | Confident | 73.2 | Confident | 136 Ų | 136 | 95.1 Ų | 95.1 | 59% | 0.591 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.4 | -45.7 | 173.5 | -73.8 | 176.1 | -179.1 | 177.4 | 0 | 111.6 | L357 L363 F364 T365 | L357-K361 WeakPolarHBondContact O-CB 3.39Å; L357-K361 VanDerWaalsContact O-CG 3.3Å; L357-K361 WeakPolarHBondContact O-CG 3.32Å; L357-K361 PolarHBondContact O-N 2.71Å; K361-L363 PolarHBondContact O-N 2.99Å; K361-F364 PolarHBondContact O-N 3.49Å; K361-F364 VanDerWaalsContact O-N 3.11Å; K361-T365 PolarHBondContact O-N 3.49Å; K361-T365 PolarHBondContact O-OG1 3.2Å |
| 362 | S | 78.8 | Confident | 73.1 | Confident | 36 Ų | 36 | 94.5 Ų | 94.5 | 25% | 0.252 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.8 | -25.9 | 178 | 80.1 | 0 | 0 | 0 | 0 | 114.2 | T358 R359 Y360 T365 R366 | T358-S362 WeakPolarHBondContact O-CB 3.48Å; T358-S362 PolarHBondContact O-N 3.41Å; R359-S362 PolarHBondContact NH1-OG 3.34Å; R359-S362 PolarHBondContact O-N 2.84Å; R359-S362 PolarHBondContact O-OG 2.89Å; Y360-S362 PolarHBondContact O-N 2.87Å; S362-T365 PolarHBondContact O-OG1 3.37Å; S362-R366 WeakPolarHBondContact O-CG 3.46Å |
| 363 | L | 67.9 | Low | 73.1 | Confident | 41 Ų | 41 | 100.1 Ų | 100.1 | 22% | 0.215 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -83.4 | -35.1 | 176.1 | -69.9 | 171.9 | 0 | 0 | 0 | 111.4 | L291 R359 Y360 K361 R366 R367 | L291-L363 HydrophobicContact CD2-CD1 4.41Å; R359-L363 HydrophobicContact CG-CD1 4.48Å; R359-L363 WeakPolarHBondContact O-CG 3.5Å; R359-L363 PolarHBondContact O-N 2.87Å; R359-L363 VanDerWaalsContact O-N 3.12Å; Y360-L363 PolarHBondContact O-N 3.24Å; Y360-L363 VanDerWaalsContact O-N 3.16Å; K361-L363 PolarHBondContact O-N 2.99Å; L363-R366 PolarHBondContact O-N 3.06Å; L363-R367 PolarHBondContact O-N 2.61Å |
| 364 | F | 67.2 | Low | 72.6 | Confident | 112 Ų | 112 | 104.6 Ų | 104.6 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 177.1 | -160.5 | -94.6 | 0 | 0 | 0 | 111.6 | Y360 K361 R366 R367 R368 | Y360-F364 PolarHBondContact O-N 3.29Å; K361-F364 PolarHBondContact O-N 3.49Å; K361-F364 VanDerWaalsContact O-N 3.11Å; F364-R366 VanDerWaalsContact C-N 3.26Å; F364-R366 PolarHBondContact O-N 3.14Å; F364-R367 PolarHBondContact O-N 2.97Å; F364-R368 PolarHBondContact O-N 3.09Å |
| 365 | T | 69 | Low | 71.9 | Confident | 101 Ų | 101 | 106.1 Ų | 106.1 | 62% | 0.62 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -15.9 | 176.2 | 49.7 | 0 | 0 | 0 | 0 | 114.5 | K361 S362 | K361-T365 PolarHBondContact O-N 3.49Å; K361-T365 PolarHBondContact O-OG1 3.2Å; S362-T365 PolarHBondContact O-OG1 3.37Å |
| 366 | R | 58.1 | Low | 71.4 | Confident | 176 Ų | 176 | 106.7 Ų | 106.7 | 66% | 0.664 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -10.5 | 174.3 | -73.9 | -177.5 | -178 | -155.8 | 2 | 114 | S362 L363 F364 | S362-R366 WeakPolarHBondContact O-CG 3.46Å; L363-R366 PolarHBondContact O-N 3.06Å; F364-R366 VanDerWaalsContact C-N 3.26Å; F364-R366 PolarHBondContact O-N 3.14Å |
| 367 | R | 54.6 | Low | 70.4 | Confident | 225 Ų | 225 | 115.1 Ų | 115.1 | 85% | 0.849 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -15.9 | 179.1 | -80.7 | -174.5 | 174.6 | -175.8 | -3.2 | 113.1 | L363 F364 | L363-R367 PolarHBondContact O-N 2.61Å; F364-R367 PolarHBondContact O-N 2.97Å |
| 368 | R | 44.2 | Very low | 69.2 | Low | 250 Ų | 250 | 122.1 Ų | 122.1 | 94% | 0.943 | 53% | 0.533 | S | S | * | . | trans | -88.7 | 0 | 159 | -72.8 | -176.5 | 176 | 179.8 | -2.3 | 107.7 | F364 | F364-R368 PolarHBondContact O-N 3.09Š|
Retrieved 368 of 368 residues in 297.1 ms
(Link to these results)