| 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 | 36.1 | Very low | 66.4 | Low | 243 Ų | 243 | 81 Ų | 81 | 100% | 1.197 | 42% | 0.417 | S | S | * | . | 0 | 119.1 | 0 | -74.9 | 178.6 | -179.7 | 0 | 0 | 106.1 | |||||
| 2 | G | 43.1 | Very low | 68.1 | Low | 71 Ų | 71 | 82.3 Ų | 82.3 | 73% | 0.732 | 42% | 0.418 | S | S | * | . | trans | -62.6 | 145.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | V4 | G2-V4 PolarHBondContact O-N 3.13Š| ||
| 3 | E | 55.7 | Low | 69.4 | Low | 173 Ų | 173 | 77.4 Ų | 77.4 | 81% | 0.808 | 39% | 0.391 | S | S | * | . | trans | -62.7 | 122.1 | 175.8 | -157.1 | 162.7 | -158.4 | 0 | 0 | 108.5 | E5 | E3-E5 PolarHBondContact O-N 3.2Š| ||
| 4 | V | 67 | Low | 70.9 | Confident | 81 Ų | 81 | 78.9 Ų | 78.9 | 49% | 0.491 | 40% | 0.401 | S | S | . | . | trans | -76.5 | 107.5 | -178.2 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | G2 Y6 T30 | G2-V4 PolarHBondContact O-N 3.13Å; V4-Y6 HydrophobicContact CB-CE2 4.26Å; V4-Y6 HydrophobicContact CG1-CE1 4.29Å; V4-Y6 HydrophobicContact CG1-CE2 3.79Å; V4-Y6 WeakPolarHBondContact O-CE2 3.37Å; V4-T30 HydrophobicContact CG1-CG2 3.44Å; V4-T30 VanDerWaalsContact CG1-CG2 3.44Å | ||
| 5 | E | 73.1 | Confident | 72.2 | Confident | 77 Ų | 77 | 76.1 Ų | 76.1 | 36% | 0.36 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 142.8 | 174.9 | -77.2 | -166 | -165 | 0 | 0 | 111.2 | E3 L31 R58 | E3-E5 PolarHBondContact O-N 3.2Å; E5-L31 HydrophobicContact CB-CB 4.01Å; E5-L31 HydrophobicContact CB-CD2 3.98Å; E5-L31 WeakPolarHBondContact O-CB 3.47Å; E5-L31 PolarHBondContact O-N 3.06Å; E5-L31 WeakPolarHBondContact OE2-CD2 3.18Å; E5-R58 IonicContact OE1-NH1 2.83Å; E5-R58 PolarHBondContact OE1-NH1 2.88Å; E5-R58 WeakPolarHBondContact OE2-CD 3.19Å; E5-R58 IonicContact OE2-CZ 3.65Å; E5-R58 IonicContact OE2-NE 3.96Å; E5-R58 IonicContact OE2-NH1 3.16Å; E5-R58 PolarHBondContact OE2-NH1 3.08Å |
| 6 | Y | 75.3 | Confident | 73 | Confident | 35 Ų | 35 | 81.6 Ų | 81.6 | 14% | 0.137 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 143.5 | 176.6 | -64.8 | -86.7 | 0 | 0 | 0 | 111.6 | V4 L28 V59 I249 L250 | V4-Y6 HydrophobicContact CB-CE2 4.26Å; V4-Y6 HydrophobicContact CG1-CE1 4.29Å; V4-Y6 HydrophobicContact CG1-CE2 3.79Å; V4-Y6 WeakPolarHBondContact O-CE2 3.37Å; Y6-L28 HydrophobicContact CD1-CG 4.44Å; Y6-V59 PolarHBondContact O-N 2.73Å; Y6-I249 HydrophobicContact CD1-CG2 4.1Å; Y6-I249 HydrophobicContact CE1-CB 4.41Å; Y6-I249 HydrophobicContact CE1-CG2 3.19Å; Y6-I249 PolarHBondContact OH-O 3.19Å; Y6-L250 HydrophobicContact CD2-CD2 3.76Å; Y6-L250 HydrophobicContact CD2-CG 4.46Å; Y6-L250 HydrophobicContact CE2-CD2 3.11Å; Y6-L250 HydrophobicContact CE2-CG 3.88Å |
| 7 | I | 81 | Confident | 73.8 | Confident | 0 Ų | 0 | 84.2 Ų | 84.2 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 158.7 | 177.4 | 66.6 | 173.6 | 0 | 0 | 0 | 109.5 | L28 L29 L31 W39 V41 V56 R57 R58 | I7-L28 WeakPolarHBondContact O-CD1 3.22Å; I7-L29 HydrophobicContact CD1-CB 4.22Å; I7-L29 HydrophobicContact CD1-CD1 4.3Å; I7-L29 HydrophobicContact CG1-CB 3.77Å; I7-L29 HydrophobicContact CG1-CD1 4.4Å; I7-L29 PolarHBondContact N-O 3.02Å; I7-L29 PolarHBondContact O-N 3.09Å; I7-L31 HydrophobicContact CD1-CD1 4.42Å; I7-L31 HydrophobicContact CG2-CB 4.01Å; I7-L31 HydrophobicContact CG2-CD1 4.36Å; I7-L31 HydrophobicContact CG2-CD2 4.14Å; I7-L31 HydrophobicContact CG2-CG 4.42Å; I7-W39 HydrophobicContact CD1-CE3 4.33Å; I7-W39 HydrophobicContact CG2-CE3 4.33Å; I7-W39 HydrophobicContact CG2-CZ3 4.11Å; I7-V41 HydrophobicContact CD1-CB 4.24Å; I7-V41 HydrophobicContact CD1-CG1 3.31Å; I7-V41 HydrophobicContact CG1-CG1 4.45Å; I7-V56 HydrophobicContact CB-CB 4.43Å; I7-V56 HydrophobicContact CD1-CB 3.81Å; I7-V56 HydrophobicContact CD1-CG1 3.78Å; I7-V56 HydrophobicContact CD1-CG2 3.94Å; I7-V56 HydrophobicContact CG1-CB 4.45Å; I7-R57 CarbonylContact C-O 3.51Å; I7-R57 WeakPolarHBondContact CA-O 3.27Å; I7-R57 VanDerWaalsContact CB-O 3.31Å; I7-R57 WeakPolarHBondContact CB-O 3.14Å; I7-R58 HydrophobicContact CG2-CG 4.16Å |
| 8 | I | 75.2 | Confident | 74.4 | Confident | 8 Ų | 8 | 86 Ų | 86 | 4% | 0.041 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 140.1 | 173.6 | -159.7 | 177.9 | 0 | 0 | 0 | 110.2 | K10 N26 E27 V56 R57 V59 | I8-K10 PolarHBondContact O-N 3.24Å; I8-N26 HydrophobicContact CD1-CB 4.15Å; I8-N26 WeakPolarHBondContact CG1-O 3.04Å; I8-E27 CarbonylContact C-O 3.49Å; I8-E27 VanDerWaalsContact CA-O 3.27Å; I8-E27 WeakPolarHBondContact CA-O 3.39Å; I8-E27 VanDerWaalsContact CG1-O 3.28Å; I8-E27 WeakPolarHBondContact CG1-O 3.41Å; I8-V56 CarbonylContact O-C 3.53Å; I8-V56 WeakPolarHBondContact O-CA 3.22Å; I8-R57 HydrophobicContact CG2-CG 3.5Å; I8-R57 VanDerWaalsContact CG2-CG 3.5Å; I8-R57 VanDerWaalsContact CG2-NH2 3.26Å; I8-R57 PolarHBondContact N-O 3.45Å; I8-R57 PolarHBondContact O-N 3.37Å; I8-V59 HydrophobicContact CB-CG2 3.4Å; I8-V59 VanDerWaalsContact CB-CG2 3.4Å; I8-V59 HydrophobicContact CG2-CG2 3.11Å |
| 9 | A | 80.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 89.4 Ų | 89.4 | 0% | 0 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 121 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I23 E24 N26 E27 | A9-I23 HydrophobicContact CB-CB 4.27Å; A9-I23 HydrophobicContact CB-CD1 3.83Å; A9-I23 HydrophobicContact CB-CG1 4.29Å; A9-E24 WeakPolarHBondContact CB-O 3.42Å; A9-N26 VanDerWaalsContact O-CA 3.31Å; A9-N26 WeakPolarHBondContact O-CA 3.14Å; A9-N26 PolarHBondContact O-N 2.8Å; A9-E27 HydrophobicContact CB-CB 4.24Å; A9-E27 PolarHBondContact N-O 3.2Å |
| 10 | K | 71.9 | Confident | 76 | Confident | 67 Ų | 67 | 86.1 Ų | 86.1 | 29% | 0.291 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -75.4 | -32.5 | 171.2 | -69.6 | 171.1 | -178.6 | 155.6 | 0 | 111.8 | I8 K25 Y55 V56 R57 | I8-K10 PolarHBondContact O-N 3.24Å; K10-K25 WeakPolarHBondContact O-CG 3.2Å; K10-Y55 WeakPolarHBondContact CB-O 3.3Å; K10-Y55 PolarHBondContact N-O 2.88Å; K10-V56 WeakPolarHBondContact CE-O 3.45Å; K10-V56 PolarHBondContact NZ-O 2.82Å; K10-R57 VanDerWaalsContact CE-CB 3.47Å; K10-R57 HydrophobicContact CG-CG 4.26Å |
| 11 | Y | 71.9 | Confident | 76.6 | Confident | 136 Ų | 136 | 82.6 Ų | 82.6 | 53% | 0.533 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -138 | 156.2 | -175.4 | -50.3 | -72.9 | 0 | 0 | 0 | 108.8 | Y55 | Y11-Y55 HydrophobicContact CD2-CD1 4.29Å; Y11-Y55 HydrophobicContact CD2-CG 4.46Å |
| 12 | K | 86.4 | Confident | 79.2 | Confident | 97 Ų | 97 | 74.1 Ų | 74.1 | 42% | 0.422 | 40% | 0.396 | S | S | . | . | trans | -66.3 | 142.3 | 165.2 | 176.5 | 173.1 | 176.9 | 144.9 | 0 | 109.1 | D14 I23 E24 | K12-D14 WeakPolarHBondContact CE-OD1 3.05Å; K12-D14 IonicContact NZ-OD1 3.73Å; K12-I23 CarbonylContact C-O 3.54Å; K12-I23 VanDerWaalsContact CA-O 3.24Å; K12-I23 WeakPolarHBondContact CA-O 3.27Å; K12-E24 IonicContact NZ-OE1 2.8Å; K12-E24 PolarHBondContact NZ-OE1 3.1Å | ||
| 13 | Y | 84.9 | Confident | 81.4 | Confident | 18 Ų | 18 | 70.9 Ų | 70.9 | 7% | 0.071 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -141 | 127.8 | 173.2 | 172.7 | -101.2 | 0 | 0 | 0 | 108.5 | E20 S22 I23 W38 P52 Y55 | Y13-E20 HydrophobicContact CE1-CB 4.4Å; Y13-E20 PolarHBondContact OH-OE1 3.1Å; Y13-E20 PolarHBondContact OH-OE2 3.01Å; Y13-S22 CarbonylContact O-C 3.51Å; Y13-S22 VanDerWaalsContact O-CA 3.26Å; Y13-S22 WeakPolarHBondContact O-CA 3.17Å; Y13-I23 HydrophobicContact CD1-CG1 4.43Å; Y13-I23 PolarHBondContact N-O 2.75Å; Y13-I23 PolarHBondContact O-N 2.87Å; Y13-W38 HydrophobicContact CE1-CZ3 4.39Å; Y13-W38 WeakPolarHBondContact OH-CH2 3.08Å; Y13-W38 VanDerWaalsContact OH-CZ3 3.3Å; Y13-W38 WeakPolarHBondContact OH-CZ3 3.41Å; Y13-P52 HydrophobicContact CD2-CG 4.11Å; Y13-P52 HydrophobicContact CE1-CG 4.37Å; Y13-P52 HydrophobicContact CE2-CG 3.81Å; Y13-Y55 HydrophobicContact CD2-CD1 4.25Å; Y13-Y55 HydrophobicContact CD2-CE1 4.08Å; Y13-Y55 HydrophobicContact CG-CD1 4.35Å |
| 14 | D | 90.5 | Very high | 82.7 | Confident | 98 Ų | 98 | 67.6 Ų | 67.6 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | trans | -98.5 | 125.3 | 175.6 | -58.6 | -69.7 | 0 | 0 | 0 | 107.6 | K12 Q16 | K12-D14 WeakPolarHBondContact CE-OD1 3.05Å; K12-D14 IonicContact NZ-OD1 3.73Å; D14-Q16 PolarHBondContact O-N 3.1Å | ||
| 15 | A | 90.4 | Very high | 83.1 | Confident | 38 Ų | 38 | 70 Ų | 70 | 31% | 0.314 | 35% | 0.351 | S | S | . | . | trans | -58 | 130.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | E20 S22 | A15-E20 HydrophobicContact CB-CB 3.76Å; A15-S22 WeakPolarHBondContact CB-OG 3.09Å; A15-S22 PolarHBondContact N-OG 2.78Å | ||
| 16 | Q | 84.6 | Confident | 82.9 | Confident | 164 Ų | 164 | 69.3 Ų | 69.3 | 77% | 0.766 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -98.4 | -28.2 | 178.3 | -58.9 | -176.5 | -20.2 | 0 | 0 | 111.3 | D14 E20 | D14-Q16 PolarHBondContact O-N 3.1Å; Q16-E20 WeakPolarHBondContact CA-OE2 3.28Å; Q16-E20 WeakPolarHBondContact CB-OE2 3.28Å; Q16-E20 PolarHBondContact N-OE2 3.21Å |
| 17 | E | 86.4 | Confident | 83.2 | Confident | 125 Ų | 125 | 69.9 Ų | 69.9 | 58% | 0.584 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -116.9 | 156.1 | 176.9 | -59.9 | -172.4 | -178.1 | 0 | 0 | 112.7 | K19 E20 | E17-K19 PolarHBondContact O-N 3.41Å; E17-E20 HydrophobicContact CB-CG 4.02Å; E17-E20 PolarHBondContact N-OE2 2.9Å; E17-E20 WeakPolarHBondContact O-CB 3.26Å; E17-E20 PolarHBondContact O-N 2.99Å |
| 18 | A | 85.7 | Confident | 83 | Confident | 117 Ų | 117 | 72.4 Ų | 72.4 | 97% | 0.967 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 19 | K | 88.4 | Confident | 83.3 | Confident | 151 Ų | 151 | 72 Ų | 72 | 66% | 0.657 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -7.2 | 177.1 | -63.9 | -179.8 | -178.7 | 174.9 | 0 | 112.7 | E17 G49 F50 | E17-K19 PolarHBondContact O-N 3.41Å; K19-G49 CarbonylContact O-C 3.5Å; K19-G49 VanDerWaalsContact O-CA 3.24Å; K19-G49 WeakPolarHBondContact O-CA 3.14Å; K19-F50 HydrophobicContact CB-CD2 4.21Å; K19-F50 WeakPolarHBondContact O-CD2 3.49Å; K19-F50 PolarHBondContact O-N 3.06Å |
| 20 | E | 91.1 | Very high | 83.5 | Confident | 22 Ų | 22 | 73.1 Ų | 73.1 | 10% | 0.103 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -93.8 | 156.2 | -176.7 | -66.5 | 169.5 | 174.2 | 0 | 0 | 111.2 | Y13 A15 Q16 E17 W38 F50 | Y13-E20 HydrophobicContact CE1-CB 4.4Å; Y13-E20 PolarHBondContact OH-OE1 3.1Å; Y13-E20 PolarHBondContact OH-OE2 3.01Å; A15-E20 HydrophobicContact CB-CB 3.76Å; Q16-E20 WeakPolarHBondContact CA-OE2 3.28Å; Q16-E20 WeakPolarHBondContact CB-OE2 3.28Å; Q16-E20 PolarHBondContact N-OE2 3.21Å; E17-E20 HydrophobicContact CB-CG 4.02Å; E17-E20 PolarHBondContact N-OE2 2.9Å; E17-E20 WeakPolarHBondContact O-CB 3.26Å; E17-E20 PolarHBondContact O-N 2.99Å; E20-W38 HydrophobicContact CG-CE3 4.36Å; E20-W38 HydrophobicContact CG-CH2 4.39Å; E20-W38 HydrophobicContact CG-CZ3 3.72Å; E20-W38 WeakPolarHBondContact OE1-CH2 3.35Å; E20-W38 WeakPolarHBondContact OE1-CZ3 3.29Å; E20-F50 VanDerWaalsContact CA-O 3.25Å; E20-F50 WeakPolarHBondContact CA-O 3.07Å; E20-F50 WeakPolarHBondContact CB-O 3.39Å |
| 21 | L | 89.2 | Confident | 84.2 | Confident | 14 Ų | 14 | 70.8 Ų | 70.8 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | trans | -109.9 | 125.6 | 178.3 | -168.5 | 67.3 | 0 | 0 | 0 | 110.3 | I23 L29 V41 N43 C47 F50 V51 | L21-I23 HydrophobicContact CD2-CG2 4.25Å; L21-I23 HydrophobicContact CG-CG2 4.24Å; L21-I23 PolarHBondContact O-N 3.41Å; L21-L29 HydrophobicContact CD2-CD2 4.23Å; L21-V41 HydrophobicContact CD2-CG2 3.8Å; L21-N43 HydrophobicContact CD2-CB 4.04Å; L21-C47 HydrophobicContact CD1-CB 3.81Å; L21-F50 PolarHBondContact N-O 3.18Å; L21-V51 HydrophobicContact CB-CG1 4.03Å | ||
| 22 | S | 91.4 | Very high | 85 | Confident | 64 Ų | 64 | 67.3 Ų | 67.3 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | trans | -70.1 | 128.7 | 169.3 | -62 | 0 | 0 | 0 | 0 | 109.3 | Y13 A15 | Y13-S22 CarbonylContact O-C 3.51Å; Y13-S22 VanDerWaalsContact O-CA 3.26Å; Y13-S22 WeakPolarHBondContact O-CA 3.17Å; A15-S22 WeakPolarHBondContact CB-OG 3.09Å; A15-S22 PolarHBondContact N-OG 2.78Å | ||
| 23 | I | 88.4 | Confident | 85 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.015 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -128.7 | 138.9 | -177 | 57.2 | 170.5 | 0 | 0 | 0 | 110.6 | A9 K12 Y13 L21 E27 L29 V51 V56 | A9-I23 HydrophobicContact CB-CB 4.27Å; A9-I23 HydrophobicContact CB-CD1 3.83Å; A9-I23 HydrophobicContact CB-CG1 4.29Å; K12-I23 CarbonylContact C-O 3.54Å; K12-I23 VanDerWaalsContact CA-O 3.24Å; K12-I23 WeakPolarHBondContact CA-O 3.27Å; Y13-I23 HydrophobicContact CD1-CG1 4.43Å; Y13-I23 PolarHBondContact N-O 2.75Å; Y13-I23 PolarHBondContact O-N 2.87Å; L21-I23 HydrophobicContact CD2-CG2 4.25Å; L21-I23 HydrophobicContact CG-CG2 4.24Å; L21-I23 PolarHBondContact O-N 3.41Å; I23-E27 VanDerWaalsContact CA-OE2 3.25Å; I23-E27 WeakPolarHBondContact CA-OE2 3.1Å; I23-L29 HydrophobicContact CB-CD1 4.3Å; I23-L29 HydrophobicContact CD1-CD1 4.36Å; I23-L29 HydrophobicContact CG2-CD1 3.6Å; I23-L29 HydrophobicContact CG2-CD2 3.95Å; I23-L29 HydrophobicContact CG2-CG 4.39Å; I23-V51 HydrophobicContact CD1-CB 4.2Å; I23-V51 HydrophobicContact CD1-CG1 4.02Å; I23-V51 HydrophobicContact CG1-CG1 4.4Å; I23-V51 HydrophobicContact CG2-CG1 3.84Å; I23-V56 HydrophobicContact CD1-CG1 4.06Å |
| 24 | E | 84.6 | Confident | 85.2 | Confident | 104 Ų | 104 | 68.2 Ų | 68.2 | 49% | 0.486 | 36% | 0.363 | S | S | . | . | trans | -90 | 152.3 | 175.6 | -77.1 | -73.4 | 162.2 | 0 | 0 | 110.9 | A9 K12 N26 E27 | A9-E24 WeakPolarHBondContact CB-O 3.42Å; K12-E24 IonicContact NZ-OE1 2.8Å; K12-E24 PolarHBondContact NZ-OE1 3.1Å; E24-N26 PolarHBondContact O-N 3.33Å; E24-E27 HydrophobicContact CB-CB 4.35Å; E24-E27 PolarHBondContact N-OE2 3.1Å; E24-E27 WeakPolarHBondContact O-CB 3.05Å; E24-E27 PolarHBondContact O-N 2.91Å | ||
| 25 | K | 75.5 | Confident | 84.7 | Confident | 132 Ų | 132 | 68.6 Ų | 68.6 | 57% | 0.574 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 131.2 | 176.9 | 178.2 | 177.1 | 179.7 | -173.6 | 0 | 109.9 | K10 E27 | K10-K25 WeakPolarHBondContact O-CG 3.2Å; K25-E27 VanDerWaalsContact C-N 3.26Å |
| 26 | N | 68.2 | Low | 84.4 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 34% | 0.337 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 11.8 | -175.5 | -54 | -29.9 | 0 | 0 | 0 | 115.4 | I8 A9 E24 | I8-N26 HydrophobicContact CD1-CB 4.15Å; I8-N26 WeakPolarHBondContact CG1-O 3.04Å; A9-N26 VanDerWaalsContact O-CA 3.31Å; A9-N26 WeakPolarHBondContact O-CA 3.14Å; A9-N26 PolarHBondContact O-N 2.8Å; E24-N26 PolarHBondContact O-N 3.33Å |
| 27 | E | 81.5 | Confident | 84.3 | Confident | 47 Ų | 47 | 69.1 Ų | 69.1 | 22% | 0.22 | 38% | 0.377 | C | S | . | . | trans | -66 | 135.7 | 170.1 | -170.8 | 173.4 | 176.4 | 0 | 0 | 110.8 | I8 A9 I23 E24 K25 L29 | I8-E27 CarbonylContact C-O 3.49Å; I8-E27 VanDerWaalsContact CA-O 3.27Å; I8-E27 WeakPolarHBondContact CA-O 3.39Å; I8-E27 VanDerWaalsContact CG1-O 3.28Å; I8-E27 WeakPolarHBondContact CG1-O 3.41Å; A9-E27 HydrophobicContact CB-CB 4.24Å; A9-E27 PolarHBondContact N-O 3.2Å; I23-E27 VanDerWaalsContact CA-OE2 3.25Å; I23-E27 WeakPolarHBondContact CA-OE2 3.1Å; E24-E27 HydrophobicContact CB-CB 4.35Å; E24-E27 PolarHBondContact N-OE2 3.1Å; E24-E27 WeakPolarHBondContact O-CB 3.05Å; E24-E27 PolarHBondContact O-N 2.91Å; K25-E27 VanDerWaalsContact C-N 3.26Å; E27-L29 HydrophobicContact CG-CD2 4.01Å | ||
| 28 | L | 76.4 | Confident | 84.4 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 27% | 0.272 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127.6 | 178.5 | -177.3 | 71.1 | 0 | 0 | 0 | 108.9 | Y6 I7 A64 I249 | Y6-L28 HydrophobicContact CD1-CG 4.44Å; I7-L28 WeakPolarHBondContact O-CD1 3.22Å; L28-A64 HydrophobicContact CD1-CB 4.27Å; L28-I249 HydrophobicContact CD2-CD1 3.43Å; L28-I249 VanDerWaalsContact CD2-CD1 3.43Å |
| 29 | L | 82.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 149.7 | -175 | -50.2 | 158.9 | 0 | 0 | 0 | 109.2 | I7 L21 I23 E27 V41 R42 N43 V56 | I7-L29 HydrophobicContact CD1-CB 4.22Å; I7-L29 HydrophobicContact CD1-CD1 4.3Å; I7-L29 HydrophobicContact CG1-CB 3.77Å; I7-L29 HydrophobicContact CG1-CD1 4.4Å; I7-L29 PolarHBondContact N-O 3.02Å; I7-L29 PolarHBondContact O-N 3.09Å; L21-L29 HydrophobicContact CD2-CD2 4.23Å; I23-L29 HydrophobicContact CB-CD1 4.3Å; I23-L29 HydrophobicContact CD1-CD1 4.36Å; I23-L29 HydrophobicContact CG2-CD1 3.6Å; I23-L29 HydrophobicContact CG2-CD2 3.95Å; I23-L29 HydrophobicContact CG2-CG 4.39Å; E27-L29 HydrophobicContact CG-CD2 4.01Å; L29-V41 HydrophobicContact CB-CB 4.17Å; L29-V41 HydrophobicContact CD1-CG2 4.15Å; L29-R42 CarbonylContact C-O 3.48Å; L29-R42 WeakPolarHBondContact CA-O 3.14Å; L29-N43 HydrophobicContact CD2-CB 3.82Å; L29-V56 HydrophobicContact CD1-CG1 4.3Å |
| 30 | T | 84.4 | Confident | 84.8 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 128 | 172 | -55.8 | 0 | 0 | 0 | 0 | 109 | V4 L32 V41 R42 | V4-T30 HydrophobicContact CG1-CG2 3.44Å; V4-T30 VanDerWaalsContact CG1-CG2 3.44Å; T30-L32 HydrophobicContact CG2-CD2 4.31Å; T30-V41 CarbonylContact O-C 3.56Å; T30-V41 WeakPolarHBondContact O-CA 3.39Å; T30-R42 PolarHBondContact N-O 3.5Å; T30-R42 PolarHBondContact O-N 3.27Å |
| 31 | L | 86.9 | Confident | 84.8 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 123 | 176.6 | -176.3 | 63.5 | 0 | 0 | 0 | 109.6 | E5 I7 D34 W39 V41 | E5-L31 HydrophobicContact CB-CB 4.01Å; E5-L31 HydrophobicContact CB-CD2 3.98Å; E5-L31 WeakPolarHBondContact O-CB 3.47Å; E5-L31 PolarHBondContact O-N 3.06Å; E5-L31 WeakPolarHBondContact OE2-CD2 3.18Å; I7-L31 HydrophobicContact CD1-CD1 4.42Å; I7-L31 HydrophobicContact CG2-CB 4.01Å; I7-L31 HydrophobicContact CG2-CD1 4.36Å; I7-L31 HydrophobicContact CG2-CD2 4.14Å; I7-L31 HydrophobicContact CG2-CG 4.42Å; L31-D34 HydrophobicContact CD1-CB 4.27Å; L31-D34 HydrophobicContact CD2-CB 4.16Å; L31-W39 HydrophobicContact CD1-CB 3.92Å; L31-W39 HydrophobicContact CD1-CD2 4.1Å; L31-W39 HydrophobicContact CD1-CE3 3.81Å; L31-W39 HydrophobicContact CD1-CG 4.19Å; L31-V41 HydrophobicContact CD1-CG1 4.33Å |
| 32 | L | 87.4 | Confident | 84.8 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 34% | 0.335 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -36.9 | 179 | -59.4 | 178.7 | 0 | 0 | 0 | 112.2 | T30 K40 R42 E48 | T30-L32 HydrophobicContact CG2-CD2 4.31Å; L32-K40 HydrophobicContact CB-CB 4.26Å; L32-K40 HydrophobicContact CB-CD 4.41Å; L32-K40 HydrophobicContact CB-CG 4.31Å; L32-K40 WeakPolarHBondContact CB-O 3.38Å; L32-K40 HydrophobicContact CD1-CD 4.37Å; L32-K40 HydrophobicContact CD1-CG 4.33Å; L32-K40 PolarHBondContact N-O 3.47Å; L32-R42 HydrophobicContact CD1-CB 4.13Å; L32-R42 HydrophobicContact CG-CB 4.46Å; L32-E48 HydrophobicContact CD1-CB 4.44Å; L32-E48 VanDerWaalsContact CD1-CD 3.47Å; L32-E48 HydrophobicContact CD1-CG 3.83Å; L32-E48 WeakPolarHBondContact CD1-OE1 3.42Å |
| 33 | D | 87.1 | Confident | 84.5 | Confident | 65 Ų | 65 | 60.2 Ų | 60.2 | 35% | 0.348 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 129 | 179.7 | -172.9 | 2.8 | 0 | 0 | 0 | 110.4 | S35 W39 K40 | D33-S35 WeakPolarHBondContact OD1-CB 3.45Å; D33-S35 PolarHBondContact OD1-N 2.78Å; D33-S35 PolarHBondContact OD1-OG 2.81Å; D33-W39 CarbonylContact O-C 3.57Å; D33-W39 VanDerWaalsContact O-CA 3.24Å; D33-W39 WeakPolarHBondContact O-CA 3.39Å; D33-W39 WeakPolarHBondContact O-CB 3.28Å; D33-K40 HydrophobicContact CB-CB 3.72Å; D33-K40 PolarHBondContact N-O 2.66Å; D33-K40 PolarHBondContact O-N 3Å |
| 34 | D | 88.5 | Confident | 84 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | trans | -116.6 | 10.6 | 179.3 | 67.3 | -21 | 0 | 0 | 0 | 113.3 | L31 G36 W39 R58 | L31-D34 HydrophobicContact CD1-CB 4.27Å; L31-D34 HydrophobicContact CD2-CB 4.16Å; D34-G36 PolarHBondContact O-N 2.89Å; D34-W39 HydrophobicContact CB-CD2 4.33Å; D34-W39 HydrophobicContact CB-CG 4.42Å; D34-W39 PolarHBondContact O-NE1 2.83Å; D34-R58 IonicContact OD2-CZ 2.89Å; D34-R58 IonicContact OD2-NH1 3.29Å; D34-R58 IonicContact OD2-NH2 3.63Å; D34-R58 PolarHBondContact OD2-NH2 3.31Å | ||
| 35 | S | 81.3 | Confident | 83.8 | Confident | 106 Ų | 106 | 65.7 Ų | 65.7 | 74% | 0.741 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -62.5 | -12.6 | -172.6 | -58.4 | 0 | 0 | 0 | 0 | 114.8 | D33 | D33-S35 WeakPolarHBondContact OD1-CB 3.45Å; D33-S35 PolarHBondContact OD1-N 2.78Å; D33-S35 PolarHBondContact OD1-OG 2.81Å |
| 36 | G | 82.5 | Confident | 84.1 | Confident | 40 Ų | 40 | 65.3 Ų | 65.3 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -137.2 | -172.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D34 W38 W39 | D34-G36 PolarHBondContact O-N 2.89Å; G36-W38 PolarHBondContact O-N 3.4Å; G36-W39 PolarHBondContact O-NE1 3.4Å; G36-W39 VanDerWaalsContact O-NE1 3.09Å |
| 37 | K | 84 | Confident | 85 | Confident | 174 Ų | 174 | 65.3 Ų | 65.3 | 76% | 0.757 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -71.9 | -20 | 173.1 | -67.5 | -173.6 | 179.6 | -176.5 | 0 | 112.9 | S53 | K37-S53 WeakPolarHBondContact O-CB 3.45Å; K37-S53 PolarHBondContact O-N 3.32Å; K37-S53 PolarHBondContact O-OG 2.79Å |
| 38 | W | 87.9 | Confident | 85.5 | Confident | 106 Ų | 106 | 67.2 Ų | 67.2 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 116.2 | 174.7 | -70.5 | 84.2 | 0 | 0 | 0 | 107.6 | Y13 E20 G36 F50 V51 P52 | Y13-W38 HydrophobicContact CE1-CZ3 4.39Å; Y13-W38 WeakPolarHBondContact OH-CH2 3.08Å; Y13-W38 VanDerWaalsContact OH-CZ3 3.3Å; Y13-W38 WeakPolarHBondContact OH-CZ3 3.41Å; E20-W38 HydrophobicContact CG-CE3 4.36Å; E20-W38 HydrophobicContact CG-CH2 4.39Å; E20-W38 HydrophobicContact CG-CZ3 3.72Å; E20-W38 WeakPolarHBondContact OE1-CH2 3.35Å; E20-W38 WeakPolarHBondContact OE1-CZ3 3.29Å; G36-W38 PolarHBondContact O-N 3.4Å; W38-F50 HydrophobicContact CB-CB 4.29Å; W38-F50 HydrophobicContact CB-CD1 4.15Å; W38-F50 HydrophobicContact CE3-CB 4.09Å; W38-V51 CarbonylContact C-O 3.49Å; W38-V51 WeakPolarHBondContact CA-O 3.27Å; W38-P52 HydrophobicContact CE3-CG 4.1Å; W38-P52 HydrophobicContact CH2-CG 3.86Å; W38-P52 HydrophobicContact CZ2-CG 4.39Å; W38-P52 HydrophobicContact CZ3-CG 3.68Å |
| 39 | W | 90.3 | Very high | 86.2 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 136.5 | -178.9 | -67.4 | -4.6 | 0 | 0 | 0 | 109.2 | I7 L31 D33 D34 G36 V41 F50 V51 S53 V56 R58 | I7-W39 HydrophobicContact CD1-CE3 4.33Å; I7-W39 HydrophobicContact CG2-CE3 4.33Å; I7-W39 HydrophobicContact CG2-CZ3 4.11Å; L31-W39 HydrophobicContact CD1-CB 3.92Å; L31-W39 HydrophobicContact CD1-CD2 4.1Å; L31-W39 HydrophobicContact CD1-CE3 3.81Å; L31-W39 HydrophobicContact CD1-CG 4.19Å; D33-W39 CarbonylContact O-C 3.57Å; D33-W39 VanDerWaalsContact O-CA 3.24Å; D33-W39 WeakPolarHBondContact O-CA 3.39Å; D33-W39 WeakPolarHBondContact O-CB 3.28Å; D34-W39 HydrophobicContact CB-CD2 4.33Å; D34-W39 HydrophobicContact CB-CG 4.42Å; D34-W39 PolarHBondContact O-NE1 2.83Å; G36-W39 PolarHBondContact O-NE1 3.4Å; G36-W39 VanDerWaalsContact O-NE1 3.09Å; W39-V41 HydrophobicContact CB-CG1 4.19Å; W39-F50 CarbonylContact O-C 3.6Å; W39-F50 WeakPolarHBondContact O-CA 3.32Å; W39-V51 PolarHBondContact N-O 2.86Å; W39-V51 PolarHBondContact O-N 3.1Å; W39-S53 VanDerWaalsContact CE2-CB 3.43Å; W39-V56 HydrophobicContact CD2-CG2 4.24Å; W39-V56 HydrophobicContact CE3-CG2 3.45Å; W39-V56 VanDerWaalsContact CE3-CG2 3.45Å; W39-V56 HydrophobicContact CZ3-CG2 3.74Å; W39-R58 HydrophobicContact CH2-CG 4.22Å; W39-R58 HydrophobicContact CZ3-CG 4.14Å |
| 40 | K | 91.8 | Very high | 86.7 | Confident | 65 Ų | 65 | 68.1 Ų | 68.1 | 28% | 0.283 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 126.7 | 172.5 | -163.2 | -176.3 | 177.5 | -163.6 | 0 | 108.5 | L32 D33 E48 F50 | L32-K40 HydrophobicContact CB-CB 4.26Å; L32-K40 HydrophobicContact CB-CD 4.41Å; L32-K40 HydrophobicContact CB-CG 4.31Å; L32-K40 WeakPolarHBondContact CB-O 3.38Å; L32-K40 HydrophobicContact CD1-CD 4.37Å; L32-K40 HydrophobicContact CD1-CG 4.33Å; L32-K40 PolarHBondContact N-O 3.47Å; D33-K40 HydrophobicContact CB-CB 3.72Å; D33-K40 PolarHBondContact N-O 2.66Å; D33-K40 PolarHBondContact O-N 3Å; K40-E48 WeakPolarHBondContact CE-OE2 3.32Å; K40-E48 IonicContact NZ-OE2 2.74Å; K40-E48 PolarHBondContact NZ-OE2 2.81Å; K40-F50 HydrophobicContact CB-CD1 4.13Å; K40-F50 HydrophobicContact CB-CE1 3.8Å; K40-F50 HydrophobicContact CB-CZ 4.31Å; K40-F50 HydrophobicContact CD-CZ 4.38Å; K40-F50 HydrophobicContact CG-CE1 4.22Å; K40-F50 HydrophobicContact CG-CZ 4.27Å |
| 41 | V | 91.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 159.4 | -171.7 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | I7 L21 L29 T30 L31 W39 E48 G49 V51 | I7-V41 HydrophobicContact CD1-CB 4.24Å; I7-V41 HydrophobicContact CD1-CG1 3.31Å; I7-V41 HydrophobicContact CG1-CG1 4.45Å; L21-V41 HydrophobicContact CD2-CG2 3.8Å; L29-V41 HydrophobicContact CB-CB 4.17Å; L29-V41 HydrophobicContact CD1-CG2 4.15Å; T30-V41 CarbonylContact O-C 3.56Å; T30-V41 WeakPolarHBondContact O-CA 3.39Å; L31-V41 HydrophobicContact CD1-CG1 4.33Å; W39-V41 HydrophobicContact CB-CG1 4.19Å; V41-E48 VanDerWaalsContact O-CA 3.3Å; V41-E48 WeakPolarHBondContact O-CA 3.26Å; V41-G49 PolarHBondContact N-O 2.78Å; V41-G49 PolarHBondContact O-N 2.86Å; V41-V51 HydrophobicContact CB-CG2 4.3Å; V41-V51 HydrophobicContact CG1-CG2 3.6Å; V41-V51 HydrophobicContact CG2-CB 4.24Å; V41-V51 HydrophobicContact CG2-CG1 3.58Å; V41-V51 HydrophobicContact CG2-CG2 3.66Å |
| 42 | R | 88.8 | Confident | 86.8 | Confident | 74 Ų | 74 | 66.7 Ų | 66.7 | 28% | 0.279 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.4 | 175 | -167.8 | -174.7 | -62.3 | 142.1 | -3.2 | 110.6 | L29 T30 L32 D46 C47 E48 | L29-R42 CarbonylContact C-O 3.48Å; L29-R42 WeakPolarHBondContact CA-O 3.14Å; T30-R42 PolarHBondContact N-O 3.5Å; T30-R42 PolarHBondContact O-N 3.27Å; L32-R42 HydrophobicContact CD1-CB 4.13Å; L32-R42 HydrophobicContact CG-CB 4.46Å; R42-D46 WeakPolarHBondContact CD-OD1 3.19Å; R42-C47 WeakPolarHBondContact CA-O 3.45Å; R42-E48 HydrophobicContact CB-CG 4.22Å; R42-E48 HydrophobicContact CG-CG 4.01Å; R42-E48 IonicContact CZ-OE1 2.97Å; R42-E48 VanDerWaalsContact CZ-OE1 3.3Å; R42-E48 IonicContact NE-OE1 3.08Å; R42-E48 PolarHBondContact NE-OE1 2.83Å; R42-E48 VanDerWaalsContact NE-OE1 3.08Å; R42-E48 IonicContact NH2-OE1 3.06Å; R42-E48 PolarHBondContact NH2-OE1 2.91Å |
| 43 | N | 84.5 | Confident | 86.6 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | trans | -85.8 | -176.7 | 174.7 | 67.5 | 7.1 | 0 | 0 | 0 | 112.9 | L21 L29 S45 D46 C47 | L21-N43 HydrophobicContact CD2-CB 4.04Å; L29-N43 HydrophobicContact CD2-CB 3.82Å; N43-S45 PolarHBondContact O-N 3.29Å; N43-S45 WeakPolarHBondContact OD1-CA 3.43Å; N43-S45 WeakPolarHBondContact OD1-CB 3.4Å; N43-S45 PolarHBondContact OD1-N 2.9Å; N43-D46 PolarHBondContact O-N 3.29Å; N43-D46 PolarHBondContact OD1-N 3.06Å; N43-C47 PolarHBondContact N-O 2.79Å; N43-C47 VanDerWaalsContact N-O 3.12Å; N43-C47 WeakPolarHBondContact OD1-CB 3.33Å; N43-C47 PolarHBondContact OD1-N 3.03Å; N43-C47 PolarHBondContact OD1-O 3.48Å | ||
| 44 | D | 79.1 | Confident | 86.5 | Confident | 133 Ų | 133 | 66.9 Ų | 66.9 | 71% | 0.711 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -14 | 175.8 | -167.7 | 70.1 | 0 | 0 | 0 | 113.1 | ||
| 45 | S | 80.3 | Confident | 86.3 | Confident | 88 Ų | 88 | 67.4 Ų | 67.4 | 62% | 0.615 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 13.8 | 176.5 | -53.2 | 0 | 0 | 0 | 0 | 113.2 | N43 C47 | N43-S45 PolarHBondContact O-N 3.29Å; N43-S45 WeakPolarHBondContact OD1-CA 3.43Å; N43-S45 WeakPolarHBondContact OD1-CB 3.4Å; N43-S45 PolarHBondContact OD1-N 2.9Å; S45-C47 PolarHBondContact O-N 3.21Å |
| 46 | D | 80.8 | Confident | 86.4 | Confident | 125 Ų | 125 | 62.4 Ų | 62.4 | 67% | 0.668 | 32% | 0.32 | S | S | * | . | trans | 58.1 | 13.8 | -175.5 | -79.2 | -67.9 | 0 | 0 | 0 | 115.1 | R42 N43 | R42-D46 WeakPolarHBondContact CD-OD1 3.19Å; N43-D46 PolarHBondContact O-N 3.29Å; N43-D46 PolarHBondContact OD1-N 3.06Å | ||
| 47 | C | 86.9 | Confident | 86 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 43% | 0.426 | 31% | 0.311 | S | S | . | . | trans | -77.4 | 127.2 | 172.2 | -61.8 | 0 | 0 | 0 | 0 | 109.6 | L21 R42 N43 S45 | L21-C47 HydrophobicContact CD1-CB 3.81Å; R42-C47 WeakPolarHBondContact CA-O 3.45Å; N43-C47 PolarHBondContact N-O 2.79Å; N43-C47 VanDerWaalsContact N-O 3.12Å; N43-C47 WeakPolarHBondContact OD1-CB 3.33Å; N43-C47 PolarHBondContact OD1-N 3.03Å; N43-C47 PolarHBondContact OD1-O 3.48Å; S45-C47 PolarHBondContact O-N 3.21Å | ||
| 48 | E | 92.5 | Very high | 85.6 | Confident | 86 Ų | 86 | 60.7 Ų | 60.7 | 40% | 0.402 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 142.4 | 174.9 | -59.8 | -173.7 | 173.3 | 0 | 0 | 110.9 | L32 K40 V41 R42 | L32-E48 HydrophobicContact CD1-CB 4.44Å; L32-E48 VanDerWaalsContact CD1-CD 3.47Å; L32-E48 HydrophobicContact CD1-CG 3.83Å; L32-E48 WeakPolarHBondContact CD1-OE1 3.42Å; K40-E48 WeakPolarHBondContact CE-OE2 3.32Å; K40-E48 IonicContact NZ-OE2 2.74Å; K40-E48 PolarHBondContact NZ-OE2 2.81Å; V41-E48 VanDerWaalsContact O-CA 3.3Å; V41-E48 WeakPolarHBondContact O-CA 3.26Å; R42-E48 HydrophobicContact CB-CG 4.22Å; R42-E48 HydrophobicContact CG-CG 4.01Å; R42-E48 IonicContact CZ-OE1 2.97Å; R42-E48 VanDerWaalsContact CZ-OE1 3.3Å; R42-E48 IonicContact NE-OE1 3.08Å; R42-E48 PolarHBondContact NE-OE1 2.83Å; R42-E48 VanDerWaalsContact NE-OE1 3.08Å; R42-E48 IonicContact NH2-OE1 3.06Å; R42-E48 PolarHBondContact NH2-OE1 2.91Å |
| 49 | G | 92.2 | Very high | 84.3 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 178.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K19 V41 | K19-G49 CarbonylContact O-C 3.5Å; K19-G49 VanDerWaalsContact O-CA 3.24Å; K19-G49 WeakPolarHBondContact O-CA 3.14Å; V41-G49 PolarHBondContact N-O 2.78Å; V41-G49 PolarHBondContact O-N 2.86Å |
| 50 | F | 91.4 | Very high | 82.3 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 31% | 0.307 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 141.4 | 176.5 | -69.4 | -83.8 | 0 | 0 | 0 | 111.1 | K19 E20 L21 W38 W39 K40 | K19-F50 HydrophobicContact CB-CD2 4.21Å; K19-F50 WeakPolarHBondContact O-CD2 3.49Å; K19-F50 PolarHBondContact O-N 3.06Å; E20-F50 VanDerWaalsContact CA-O 3.25Å; E20-F50 WeakPolarHBondContact CA-O 3.07Å; E20-F50 WeakPolarHBondContact CB-O 3.39Å; L21-F50 PolarHBondContact N-O 3.18Å; W38-F50 HydrophobicContact CB-CB 4.29Å; W38-F50 HydrophobicContact CB-CD1 4.15Å; W38-F50 HydrophobicContact CE3-CB 4.09Å; W39-F50 CarbonylContact O-C 3.6Å; W39-F50 WeakPolarHBondContact O-CA 3.32Å; K40-F50 HydrophobicContact CB-CD1 4.13Å; K40-F50 HydrophobicContact CB-CE1 3.8Å; K40-F50 HydrophobicContact CB-CZ 4.31Å; K40-F50 HydrophobicContact CD-CZ 4.38Å; K40-F50 HydrophobicContact CG-CE1 4.22Å; K40-F50 HydrophobicContact CG-CZ 4.27Å |
| 51 | V | 89.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 148 | 172.5 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | L21 I23 W38 W39 V41 S53 V56 | L21-V51 HydrophobicContact CB-CG1 4.03Å; I23-V51 HydrophobicContact CD1-CB 4.2Å; I23-V51 HydrophobicContact CD1-CG1 4.02Å; I23-V51 HydrophobicContact CG1-CG1 4.4Å; I23-V51 HydrophobicContact CG2-CG1 3.84Å; W38-V51 CarbonylContact C-O 3.49Å; W38-V51 WeakPolarHBondContact CA-O 3.27Å; W39-V51 PolarHBondContact N-O 2.86Å; W39-V51 PolarHBondContact O-N 3.1Å; V41-V51 HydrophobicContact CB-CG2 4.3Å; V41-V51 HydrophobicContact CG1-CG2 3.6Å; V41-V51 HydrophobicContact CG2-CB 4.24Å; V41-V51 HydrophobicContact CG2-CG1 3.58Å; V41-V51 HydrophobicContact CG2-CG2 3.66Å; V51-S53 PolarHBondContact O-N 2.75Å; V51-V56 HydrophobicContact CG2-CG1 3.84Å; V51-V56 HydrophobicContact CG2-CG2 4.44Å |
| 52 | P | 83.9 | Confident | 77.8 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.065 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 125.7 | 174.9 | -20 | 31 | 0 | 0 | 0 | 110.9 | Y13 W38 N54 Y55 | Y13-P52 HydrophobicContact CD2-CG 4.11Å; Y13-P52 HydrophobicContact CE1-CG 4.37Å; Y13-P52 HydrophobicContact CE2-CG 3.81Å; W38-P52 HydrophobicContact CE3-CG 4.1Å; W38-P52 HydrophobicContact CH2-CG 3.86Å; W38-P52 HydrophobicContact CZ2-CG 4.39Å; W38-P52 HydrophobicContact CZ3-CG 3.68Å; P52-N54 WeakPolarHBondContact CB-OD1 3.28Å; P52-N54 PolarHBondContact O-N 2.87Å; P52-N54 VanDerWaalsContact O-N 3.11Å; P52-Y55 HydrophobicContact CB-CD2 3.72Å; P52-Y55 HydrophobicContact CB-CE2 4.43Å; P52-Y55 HydrophobicContact CB-CG 4.28Å; P52-Y55 HydrophobicContact CG-CD2 4.1Å; P52-Y55 HydrophobicContact CG-CG 4.44Å; P52-Y55 WeakPolarHBondContact O-CB 3.07Å; P52-Y55 PolarHBondContact O-N 3.24Å |
| 53 | S | 84.4 | Confident | 75.7 | Confident | 33 Ų | 33 | 59.3 Ų | 59.3 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -55.8 | -30.5 | -179 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | K37 W39 V51 Y55 V56 | K37-S53 WeakPolarHBondContact O-CB 3.45Å; K37-S53 PolarHBondContact O-N 3.32Å; K37-S53 PolarHBondContact O-OG 2.79Å; W39-S53 VanDerWaalsContact CE2-CB 3.43Å; V51-S53 PolarHBondContact O-N 2.75Å; S53-Y55 VanDerWaalsContact C-N 3.31Å; S53-Y55 PolarHBondContact O-N 3.03Å; S53-V56 VanDerWaalsContact O-CG2 3.26Å; S53-V56 WeakPolarHBondContact O-CG2 3.44Å; S53-V56 PolarHBondContact O-N 3.39Å; S53-V56 VanDerWaalsContact O-O 3.11Å |
| 54 | N | 84.2 | Confident | 73.6 | Confident | 100 Ų | 100 | 59.3 Ų | 59.3 | 54% | 0.535 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -71.8 | -22.4 | 176.4 | 61.6 | -42.6 | 0 | 0 | 0 | 113.5 | P52 V56 | P52-N54 WeakPolarHBondContact CB-OD1 3.28Å; P52-N54 PolarHBondContact O-N 2.87Å; P52-N54 VanDerWaalsContact O-N 3.11Å; N54-V56 VanDerWaalsContact C-N 3.28Å |
| 55 | Y | 83.6 | Confident | 71.8 | Confident | 78 Ų | 78 | 53.6 Ų | 53.6 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -81.7 | -10.4 | 176.7 | -82.6 | -115.7 | 0 | 0 | 0 | 112.7 | K10 Y11 Y13 P52 S53 | K10-Y55 WeakPolarHBondContact CB-O 3.3Å; K10-Y55 PolarHBondContact N-O 2.88Å; Y11-Y55 HydrophobicContact CD2-CD1 4.29Å; Y11-Y55 HydrophobicContact CD2-CG 4.46Å; Y13-Y55 HydrophobicContact CD2-CD1 4.25Å; Y13-Y55 HydrophobicContact CD2-CE1 4.08Å; Y13-Y55 HydrophobicContact CG-CD1 4.35Å; P52-Y55 HydrophobicContact CB-CD2 3.72Å; P52-Y55 HydrophobicContact CB-CE2 4.43Å; P52-Y55 HydrophobicContact CB-CG 4.28Å; P52-Y55 HydrophobicContact CG-CD2 4.1Å; P52-Y55 HydrophobicContact CG-CG 4.44Å; P52-Y55 WeakPolarHBondContact O-CB 3.07Å; P52-Y55 PolarHBondContact O-N 3.24Å; S53-Y55 VanDerWaalsContact C-N 3.31Å; S53-Y55 PolarHBondContact O-N 3.03Å |
| 56 | V | 84.2 | Confident | 69.8 | Low | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 163.1 | 179.9 | -65.8 | 0 | 0 | 0 | 0 | 111 | I7 I8 K10 I23 L29 W39 V51 S53 N54 | I7-V56 HydrophobicContact CB-CB 4.43Å; I7-V56 HydrophobicContact CD1-CB 3.81Å; I7-V56 HydrophobicContact CD1-CG1 3.78Å; I7-V56 HydrophobicContact CD1-CG2 3.94Å; I7-V56 HydrophobicContact CG1-CB 4.45Å; I8-V56 CarbonylContact O-C 3.53Å; I8-V56 WeakPolarHBondContact O-CA 3.22Å; K10-V56 WeakPolarHBondContact CE-O 3.45Å; K10-V56 PolarHBondContact NZ-O 2.82Å; I23-V56 HydrophobicContact CD1-CG1 4.06Å; L29-V56 HydrophobicContact CD1-CG1 4.3Å; W39-V56 HydrophobicContact CD2-CG2 4.24Å; W39-V56 HydrophobicContact CE3-CG2 3.45Å; W39-V56 VanDerWaalsContact CE3-CG2 3.45Å; W39-V56 HydrophobicContact CZ3-CG2 3.74Å; V51-V56 HydrophobicContact CG2-CG1 3.84Å; V51-V56 HydrophobicContact CG2-CG2 4.44Å; S53-V56 VanDerWaalsContact O-CG2 3.26Å; S53-V56 WeakPolarHBondContact O-CG2 3.44Å; S53-V56 PolarHBondContact O-N 3.39Å; S53-V56 VanDerWaalsContact O-O 3.11Å; N54-V56 VanDerWaalsContact C-N 3.28Å |
| 57 | R | 75.4 | Confident | 68 | Low | 63 Ų | 63 | 49.5 Ų | 49.5 | 24% | 0.238 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.9 | 160.4 | 51.7 | -175.3 | -173.5 | -80 | -1.6 | 108.5 | I7 I8 K10 V59 | I7-R57 CarbonylContact C-O 3.51Å; I7-R57 WeakPolarHBondContact CA-O 3.27Å; I7-R57 VanDerWaalsContact CB-O 3.31Å; I7-R57 WeakPolarHBondContact CB-O 3.14Å; I8-R57 HydrophobicContact CG2-CG 3.5Å; I8-R57 VanDerWaalsContact CG2-CG 3.5Å; I8-R57 VanDerWaalsContact CG2-NH2 3.26Å; I8-R57 PolarHBondContact N-O 3.45Å; I8-R57 PolarHBondContact O-N 3.37Å; K10-R57 VanDerWaalsContact CE-CB 3.47Å; K10-R57 HydrophobicContact CG-CG 4.26Å; R57-V59 HydrophobicContact CG-CG2 4.22Å; R57-V59 PolarHBondContact O-N 3Å |
| 58 | R | 73.8 | Confident | 65.8 | Low | 115 Ų | 115 | 54.6 Ų | 54.6 | 43% | 0.434 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 130.3 | 160.7 | -60.4 | -170.9 | -170.3 | -159.6 | 8.8 | 108.7 | E5 I7 D34 W39 | E5-R58 IonicContact OE1-NH1 2.83Å; E5-R58 PolarHBondContact OE1-NH1 2.88Å; E5-R58 WeakPolarHBondContact OE2-CD 3.19Å; E5-R58 IonicContact OE2-CZ 3.65Å; E5-R58 IonicContact OE2-NE 3.96Å; E5-R58 IonicContact OE2-NH1 3.16Å; E5-R58 PolarHBondContact OE2-NH1 3.08Å; I7-R58 HydrophobicContact CG2-CG 4.16Å; D34-R58 IonicContact OD2-CZ 2.89Å; D34-R58 IonicContact OD2-NH1 3.29Å; D34-R58 IonicContact OD2-NH2 3.63Å; D34-R58 PolarHBondContact OD2-NH2 3.31Å; W39-R58 HydrophobicContact CH2-CG 4.22Å; W39-R58 HydrophobicContact CZ3-CG 4.14Å |
| 59 | V | 60.8 | Low | 63.3 | Low | 15 Ų | 15 | 54.7 Ų | 54.7 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | trans | -108.2 | 120 | 176.8 | 173 | 0 | 0 | 0 | 0 | 107.8 | Y6 I8 R57 W61 D63 A64 | Y6-V59 PolarHBondContact O-N 2.73Å; I8-V59 HydrophobicContact CB-CG2 3.4Å; I8-V59 VanDerWaalsContact CB-CG2 3.4Å; I8-V59 HydrophobicContact CG2-CG2 3.11Å; R57-V59 HydrophobicContact CG-CG2 4.22Å; R57-V59 PolarHBondContact O-N 3Å; V59-W61 PolarHBondContact O-N 3Å; V59-D63 HydrophobicContact CG1-CB 4.07Å; V59-A64 HydrophobicContact CG1-CB 3.75Å | ||
| 60 | N | 49.8 | Very low | 60.8 | Low | 57 Ų | 57 | 56.1 Ų | 56.1 | 31% | 0.305 | 28% | 0.279 | S | S | . | . | trans | -69.8 | 126.3 | 157 | -150 | -58.1 | 0 | 0 | 0 | 109.1 | K62 D63 A310 | N60-K62 PolarHBondContact O-N 2.89Å; N60-D63 PolarHBondContact O-N 3.21Å; N60-A310 HydrophobicContact CB-CB 4.16Å; N60-A310 WeakPolarHBondContact ND2-CA 3.19Å; N60-A310 VanDerWaalsContact ND2-CB 3.25Å; N60-A310 WeakPolarHBondContact ND2-CB 3.26Å; N60-A310 PolarHBondContact ND2-O 3.08Å; N60-A310 VanDerWaalsContact OD1-CA 3.24Å; N60-A310 WeakPolarHBondContact OD1-CA 3.32Å; N60-A310 PolarHBondContact OD1-O 2.9Å | ||
| 61 | W | 47.3 | Very low | 58.4 | Low | 32 Ų | 32 | 58 Ų | 58 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.8 | -24.1 | -163 | 72.7 | -92.4 | 0 | 0 | 0 | 114.8 | V59 D63 A64 I65 L250 G289 L291 V308 F313 | V59-W61 PolarHBondContact O-N 3Å; W61-D63 PolarHBondContact O-N 3.12Å; W61-A64 WeakPolarHBondContact O-CB 3.14Å; W61-A64 PolarHBondContact O-N 3.06Å; W61-I65 HydrophobicContact CE3-CD1 3.33Å; W61-I65 HydrophobicContact CE3-CG1 4.26Å; W61-I65 HydrophobicContact CZ3-CD1 3.33Å; W61-I65 PolarHBondContact O-N 2.88Å; W61-L250 HydrophobicContact CB-CD1 4.18Å; W61-G289 VanDerWaalsContact CH2-O 3.32Å; W61-G289 WeakPolarHBondContact CH2-O 3.32Å; W61-G289 WeakPolarHBondContact CZ3-O 3.43Å; W61-L291 HydrophobicContact CH2-CD1 4.32Å; W61-L291 HydrophobicContact CH2-CG 4.06Å; W61-V308 HydrophobicContact CD2-CG1 4.35Å; W61-V308 VanDerWaalsContact CE2-CB 3.49Å; W61-V308 HydrophobicContact CH2-CB 3.35Å; W61-V308 HydrophobicContact CH2-CG1 3.89Å; W61-V308 HydrophobicContact CH2-CG2 3.26Å; W61-V308 HydrophobicContact CZ2-CB 2.93Å; W61-V308 HydrophobicContact CZ2-CG1 2.92Å; W61-V308 HydrophobicContact CZ2-CG2 3.13Å; W61-V308 HydrophobicContact CZ3-CB 4.34Å; W61-F313 HydrophobicContact CZ2-CD1 4.5Å; W61-F313 AromaticContact CZ2-CE1 3.77Å; W61-F313 HydrophobicContact CZ2-CE1 3.77Å; W61-F313 HydrophobicContact CZ2-CZ 4.33Å |
| 62 | K | 39.5 | Very low | 56 | Low | 65 Ų | 65 | 63.6 Ų | 63.6 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -50.9 | -41.1 | 170.3 | -43.3 | -167.3 | 90.3 | 167.6 | 0 | 112.7 | N60 G66 V308 D309 | N60-K62 PolarHBondContact O-N 2.89Å; K62-G66 PolarHBondContact O-N 3.36Å; K62-V308 VanDerWaalsContact CE-C 3.43Å; K62-V308 WeakPolarHBondContact CE-O 3.46Å; K62-V308 PolarHBondContact NZ-O 2.84Å; K62-D309 IonicContact NZ-OD1 3.99Å; K62-D309 PolarHBondContact NZ-OD1 2.87Å |
| 63 | D | 45.6 | Very low | 54.1 | Low | 83 Ų | 83 | 69.2 Ų | 69.2 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -82.1 | -18.6 | -177.6 | -62 | -22.8 | 0 | 0 | 0 | 112.9 | V59 N60 W61 R67 | V59-D63 HydrophobicContact CG1-CB 4.07Å; N60-D63 PolarHBondContact O-N 3.21Å; W61-D63 PolarHBondContact O-N 3.12Å; D63-R67 VanDerWaalsContact O-CZ 3.24Å; D63-R67 PolarHBondContact O-NE 3.49Å; D63-R67 VanDerWaalsContact O-NE 3.09Å; D63-R67 PolarHBondContact O-NH2 3.42Å |
| 64 | A | 41.4 | Very low | 52 | Low | 25 Ų | 25 | 73.1 Ų | 73.1 | 21% | 0.207 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71 | -41.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L28 V59 W61 R68 | L28-A64 HydrophobicContact CD1-CB 4.27Å; V59-A64 HydrophobicContact CG1-CB 3.75Å; W61-A64 WeakPolarHBondContact O-CB 3.14Å; W61-A64 PolarHBondContact O-N 3.06Å; A64-R68 PolarHBondContact O-N 3.49Å |
| 65 | I | 40.3 | Very low | 49.8 | Very low | 13 Ų | 13 | 72.6 Ų | 72.6 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -83.6 | -40.5 | -177.1 | -59.8 | 174.8 | 0 | 0 | 0 | 111.8 | W61 R67 R68 L69 | W61-I65 HydrophobicContact CE3-CD1 3.33Å; W61-I65 HydrophobicContact CE3-CG1 4.26Å; W61-I65 HydrophobicContact CZ3-CD1 3.33Å; W61-I65 PolarHBondContact O-N 2.88Å; I65-R67 PolarHBondContact O-N 3.28Å; I65-R68 PolarHBondContact O-N 3.08Å; I65-R68 VanDerWaalsContact O-N 3.14Å; I65-L69 PolarHBondContact O-N 2.92Å; I65-L69 VanDerWaalsContact O-N 3.08Å |
| 66 | G | 38.9 | Very low | 48.1 | Very low | 45 Ų | 45 | 74.5 Ų | 74.5 | 46% | 0.464 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.1 | -34.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | K62 G70 | K62-G66 PolarHBondContact O-N 3.36Å; G66-G70 PolarHBondContact O-N 3.46Å |
| 67 | R | 42.7 | Very low | 46.2 | Very low | 82 Ų | 82 | 82.9 Ų | 82.9 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -78 | -36.4 | 176.6 | -75 | -172.1 | -81.1 | -99 | -3.5 | 113.5 | D63 I65 L69 G70 M71 | D63-R67 VanDerWaalsContact O-CZ 3.24Å; D63-R67 PolarHBondContact O-NE 3.49Å; D63-R67 VanDerWaalsContact O-NE 3.09Å; D63-R67 PolarHBondContact O-NH2 3.42Å; I65-R67 PolarHBondContact O-N 3.28Å; R67-L69 VanDerWaalsContact C-N 3.32Å; R67-L69 PolarHBondContact O-N 2.88Å; R67-G70 PolarHBondContact O-N 3.41Å; R67-M71 WeakPolarHBondContact O-CG 3.35Å; R67-M71 PolarHBondContact O-N 3.29Å |
| 68 | R | 41.3 | Very low | 44.8 | Very low | 170 Ų | 170 | 89.9 Ų | 89.9 | 64% | 0.642 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.8 | -37.9 | 176.7 | -160.7 | 173.4 | -174.3 | 158.6 | 2.7 | 111.6 | A64 I65 L72 | A64-R68 PolarHBondContact O-N 3.49Å; I65-R68 PolarHBondContact O-N 3.08Å; I65-R68 VanDerWaalsContact O-N 3.14Å; R68-L72 PolarHBondContact O-N 3.31Å |
| 69 | L | 39.1 | Very low | 43.5 | Very low | 87 Ų | 87 | 95 Ų | 95 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -74.6 | -34.2 | 174.5 | -147.4 | 88.8 | 0 | 0 | 0 | 112.8 | I65 R67 K73 P288 | I65-L69 PolarHBondContact O-N 2.92Å; I65-L69 VanDerWaalsContact O-N 3.08Å; R67-L69 VanDerWaalsContact C-N 3.32Å; R67-L69 PolarHBondContact O-N 2.88Å; L69-K73 WeakPolarHBondContact O-CB 3.39Å; L69-K73 PolarHBondContact O-N 3.19Å; L69-K73 VanDerWaalsContact O-N 3.11Å; L69-P288 HydrophobicContact CD1-CB 4.38Å; L69-P288 HydrophobicContact CD2-CB 3.21Å; L69-P288 HydrophobicContact CD2-CG 3.65Å; L69-P288 HydrophobicContact CG-CB 4.35Å |
| 70 | G | 39 | Very low | 42.4 | Very low | 33 Ų | 33 | 101.4 Ų | 101.4 | 34% | 0.34 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G66 R67 L72 K73 E74 | G66-G70 PolarHBondContact O-N 3.46Å; R67-G70 PolarHBondContact O-N 3.41Å; G70-L72 PolarHBondContact O-N 3.27Å; G70-K73 PolarHBondContact O-N 2.81Å; G70-E74 WeakPolarHBondContact O-CB 3.17Å; G70-E74 PolarHBondContact O-N 3.14Å |
| 71 | M | 40.7 | Very low | 41.7 | Very low | 111 Ų | 111 | 102.2 Ų | 102.2 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -32.4 | -180 | -66.4 | -156.3 | -40.5 | 0 | 0 | 113.4 | R67 S75 | R67-M71 WeakPolarHBondContact O-CG 3.35Å; R67-M71 PolarHBondContact O-N 3.29Å; M71-S75 WeakPolarHBondContact O-CB 3.22Å; M71-S75 PolarHBondContact O-N 3.14Å; M71-S75 PolarHBondContact O-OG 2.73Å |
| 72 | L | 40.2 | Very low | 41.3 | Very low | 116 Ų | 116 | 105.6 Ų | 105.6 | 61% | 0.607 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71 | -37.7 | 174.6 | -140.4 | 80.4 | 0 | 0 | 0 | 111.3 | R68 G70 L76 | R68-L72 PolarHBondContact O-N 3.31Å; G70-L72 PolarHBondContact O-N 3.27Å; L72-L76 WeakPolarHBondContact O-CD1 3.47Å; L72-L76 PolarHBondContact O-N 3.35Å |
| 73 | K | 43.3 | Very low | 41.1 | Very low | 128 Ų | 128 | 111.6 Ų | 111.6 | 56% | 0.557 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74 | -30.9 | 179.8 | -160.5 | 169.8 | -175.7 | 175.2 | 0 | 112.4 | L69 G70 R77 | L69-K73 WeakPolarHBondContact O-CB 3.39Å; L69-K73 PolarHBondContact O-N 3.19Å; L69-K73 VanDerWaalsContact O-N 3.11Å; G70-K73 PolarHBondContact O-N 2.81Å; K73-R77 WeakPolarHBondContact O-CB 3.35Å; K73-R77 WeakPolarHBondContact O-CG 3.45Å; K73-R77 PolarHBondContact O-N 3.24Å |
| 74 | E | 40.3 | Very low | 40.6 | Very low | 115 Ų | 115 | 113.1 Ų | 113.1 | 54% | 0.537 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -79 | -32 | 178.8 | -155.2 | 160.4 | -175 | 0 | 0 | 112.6 | G70 R77 R78 | G70-E74 WeakPolarHBondContact O-CB 3.17Å; G70-E74 PolarHBondContact O-N 3.14Å; E74-R77 PolarHBondContact O-N 2.99Å; E74-R78 PolarHBondContact O-N 3Å |
| 75 | S | 39.1 | Very low | 40.3 | Very low | 89 Ų | 89 | 120 Ų | 120 | 62% | 0.622 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.6 | -29.3 | 172.6 | -57.1 | 0 | 0 | 0 | 0 | 113.1 | M71 | M71-S75 WeakPolarHBondContact O-CB 3.22Å; M71-S75 PolarHBondContact O-N 3.14Å; M71-S75 PolarHBondContact O-OG 2.73Å |
| 76 | L | 47.3 | Very low | 40 | Very low | 119 Ų | 119 | 125 Ų | 125 | 62% | 0.623 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -82.8 | -27.6 | 173.8 | -78.3 | 157.2 | 0 | 0 | 0 | 112.9 | L72 R79 | L72-L76 WeakPolarHBondContact O-CD1 3.47Å; L72-L76 PolarHBondContact O-N 3.35Å; L76-R79 PolarHBondContact O-N 3.39Å |
| 77 | R | 43.8 | Very low | 39.8 | Very low | 177 Ų | 177 | 129.6 Ų | 129.6 | 67% | 0.668 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75.6 | -24.7 | 177 | -82.3 | 177.5 | 159.8 | -154.9 | -8.9 | 114.4 | K73 E74 R79 | K73-R77 WeakPolarHBondContact O-CB 3.35Å; K73-R77 WeakPolarHBondContact O-CG 3.45Å; K73-R77 PolarHBondContact O-N 3.24Å; E74-R77 PolarHBondContact O-N 2.99Å; R77-R79 PolarHBondContact O-N 2.94Å |
| 78 | R | 47.5 | Very low | 39.7 | Very low | 211 Ų | 211 | 130.2 Ų | 130.2 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -9.7 | 172.9 | -69.4 | -175 | -171.6 | -171.2 | 3.4 | 113.8 | E74 | E74-R78 PolarHBondContact O-N 3Š|
| 79 | R | 45.6 | Very low | 39.3 | Very low | 223 Ų | 223 | 131.2 Ų | 131.2 | 84% | 0.842 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -19.6 | 178.7 | -114.9 | 174.5 | 169.5 | 156.1 | -3.6 | 114.6 | L76 R77 | L76-R79 PolarHBondContact O-N 3.39Å; R77-R79 PolarHBondContact O-N 2.94Å |
| 80 | N | 38.6 | Very low | 38.8 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -128.4 | 70.3 | -178.3 | -73.4 | 0.9 | 0 | 0 | 0 | 111 | ||
| 81 | G | 33.8 | Very low | 38.3 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | trans | -99.6 | 96.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 82 | S | 38.6 | Very low | 37.8 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | -153.2 | 109.4 | 150.7 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 83 | E | 35.6 | Very low | 37.3 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | trans | 60 | 137 | 148.8 | -52.2 | -167.7 | 141.2 | 0 | 0 | 118.4 | ||||
| 84 | S | 35.6 | Very low | 37.3 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | cis | -167.7 | 172.5 | 15.8 | 45.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 85 | L | 35.7 | Very low | 36.8 | Very low | 170 Ų | 170 | 140 Ų | 140 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -74.3 | 164.6 | -165.6 | -94.2 | 77.9 | 0 | 0 | 0 | 117.7 | ||||
| 86 | P | 33.2 | Very low | 36.6 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -99.3 | 156.7 | -175 | 38.6 | -31.7 | 0 | 0 | 0 | 115 | ||||
| 87 | T | 35.4 | Very low | 36.1 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -129.1 | 108.1 | 171.9 | 23.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 88 | S | 40 | Very low | 35.6 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | trans | 25.3 | 131 | 134.3 | -56.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 89 | K | 33.4 | Very low | 35 | Very low | 191 Ų | 191 | 135.2 Ų | 135.2 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | 71.1 | 143.9 | 128.9 | -70.1 | 179.7 | -173.3 | 179.2 | 0 | 116.5 | |||||
| 90 | C | 27.9 | Very low | 34.6 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 60% | 0.601 | 78% | 0.782 | S | S | * | * | cis | 178.2 | 165 | 24.9 | -121.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 91 | F | 28.5 | Very low | 34.3 | Very low | 205 Ų | 205 | 129.9 Ų | 129.9 | 90% | 0.899 | 78% | 0.783 | S | S | * | * | trans | 67.7 | 132.6 | 145.7 | -70.2 | -65.1 | 0 | 0 | 0 | 124.2 | ||||
| 92 | G | 29.8 | Very low | 34.2 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 151 | 103.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 93 | S | 30.8 | Very low | 33.7 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -112.1 | -165.8 | 175.6 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 94 | P | 42.1 | Very low | 33.5 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | -116.4 | -171.8 | -108.8 | 34.8 | -13.1 | 0 | 0 | 0 | 112.6 | |||||
| 95 | L | 30.3 | Very low | 33.3 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | -174.4 | 136.5 | 156.5 | -99.6 | 149.5 | 0 | 0 | 0 | 115.3 | ||||
| 96 | A | 36 | Very low | 32.9 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | 64.2 | 149.8 | 141.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 97 | A | 36.3 | Very low | 32.9 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | cis | -166.6 | 133.1 | -1.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 98 | K | 32.5 | Very low | 32.5 | Very low | 201 Ų | 201 | 134.8 Ų | 134.8 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | 60.4 | 138.3 | 107.7 | -72.1 | -173.6 | 174.8 | 179.2 | 0 | 120.8 | |||||
| 99 | S | 35.9 | Very low | 32.1 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 92.3 | 145.6 | 153.2 | 91.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 100 | S | 36.4 | Very low | 32 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 51% | 0.51 | 78% | 0.784 | S | S | . | * | cis | 175.6 | 137.7 | -7.6 | -107.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 101 | F | 33.3 | Very low | 32.1 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | 46.1 | 126 | 147.1 | -22.3 | -62 | 0 | 0 | 0 | 121.5 | ||||
| 102 | R | 31.2 | Very low | 32.2 | Very low | 245 Ų | 245 | 133.1 Ų | 133.1 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | 165.4 | 141.5 | 100.8 | -89.3 | -179.7 | -167 | -159.6 | 2.8 | 111.8 | |||||
| 103 | S | 27.5 | Very low | 32.4 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -81.8 | 148.1 | 176.8 | 1.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 104 | F | 31.6 | Very low | 32.6 | Very low | 204 Ų | 204 | 134.3 Ų | 134.3 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -157.7 | 155 | 141.6 | -147.5 | -103.6 | 0 | 0 | 0 | 112.2 | ||||
| 105 | S | 31.4 | Very low | 32.2 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 61% | 0.608 | 80% | 0.798 | S | S | * | * | trans | -99 | 169.3 | -159.4 | 42.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 106 | G | 28.6 | Very low | 32.5 | Very low | 70 Ų | 70 | 137.9 Ų | 137.9 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 86.1 | 138.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 107 | V | 32 | Very low | 32.7 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | cis | -157.6 | 147.9 | 48 | -158 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 108 | N | 27.8 | Very low | 33.9 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | -65.2 | 155.3 | 166.8 | -74.1 | -29.3 | 0 | 0 | 0 | 112.4 | ||||
| 109 | E | 31.1 | Very low | 35.5 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | trans | -176.7 | 96.2 | 136.7 | -101.9 | 167.8 | 160.7 | 0 | 0 | 108.4 | ||||
| 110 | T | 30.5 | Very low | 37.4 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | 62.6 | 102 | 99.5 | 56.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 111 | A | 30.9 | Very low | 39.6 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 79% | 0.793 | 72% | 0.717 | S | S | * | * | trans | 20.1 | 121.9 | 135.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 112 | T | 31.3 | Very low | 42 | Very low | 147 Ų | 147 | 120.4 Ų | 120.4 | 90% | 0.902 | 69% | 0.691 | S | S | * | * | trans | -145.8 | 125.5 | 134 | 29.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 113 | S | 33.4 | Very low | 44.5 | Very low | 118 Ų | 118 | 108.8 Ų | 108.8 | 83% | 0.825 | 65% | 0.647 | S | S | * | * | trans | -75.9 | 130.5 | 177.8 | 168.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 114 | S | 35.1 | Very low | 47.2 | Very low | 99 Ų | 99 | 106 Ų | 106 | 69% | 0.692 | 62% | 0.621 | S | S | * | * | trans | -169.1 | 84.6 | 147.2 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | L116 | S114-L116 PolarHBondContact O-N 2.66Š| ||
| 115 | K | 33.7 | Very low | 49.5 | Very low | 211 Ų | 211 | 96.3 Ų | 96.3 | 92% | 0.917 | 58% | 0.579 | S | S | * | * | 39 | 66.8 | 121.5 | -134.7 | 175.4 | -168.1 | 179.9 | 0 | 117.8 | |||||
| 116 | L | 35.9 | Very low | 51.4 | Low | 152 Ų | 152 | 94.4 Ų | 94.4 | 80% | 0.796 | 57% | 0.565 | S | S | * | * | trans | -131.3 | 130.9 | 154.4 | -99 | 94.2 | 0 | 0 | 0 | 109.8 | S114 S118 | S114-L116 PolarHBondContact O-N 2.66Å; L116-S118 PolarHBondContact O-N 2.87Å; L116-S118 VanDerWaalsContact O-N 3.13Å | ||
| 117 | S | 39.6 | Very low | 53.3 | Low | 112 Ų | 112 | 96.1 Ų | 96.1 | 78% | 0.783 | 55% | 0.553 | S | S | * | * | trans | 0.4 | 88.8 | 173.8 | 60 | 0 | 0 | 0 | 0 | 116.6 | C119 | S117-C119 PolarHBondContact O-N 3.29Å; S117-C119 VanDerWaalsContact O-N 3.1Å | ||
| 118 | S | 61.4 | Low | 55.6 | Low | 57 Ų | 57 | 94.1 Ų | 94.1 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | trans | -85.9 | 32.7 | -175.3 | 65.2 | 0 | 0 | 0 | 0 | 113.7 | L116 M148 | L116-S118 PolarHBondContact O-N 2.87Å; L116-S118 VanDerWaalsContact O-N 3.13Å; S118-M148 VanDerWaalsContact CB-CE 3.5Å; S118-M148 VanDerWaalsContact O-CA 3.26Å; S118-M148 WeakPolarHBondContact O-CA 3.43Å; S118-M148 WeakPolarHBondContact O-CB 3.47Å; S118-M148 WeakPolarHBondContact O-CG 3.39Å; S118-M148 WeakPolarHBondContact OG-CE 3.22Å | ||
| 119 | C | 67.9 | Low | 57.9 | Low | 39 Ų | 39 | 87.9 Ų | 87.9 | 26% | 0.264 | 50% | 0.499 | S | S | . | . | trans | -130.1 | 110.8 | 179.2 | 179.9 | 0 | 0 | 0 | 0 | 108 | S117 E146 | S117-C119 PolarHBondContact O-N 3.29Å; S117-C119 VanDerWaalsContact O-N 3.1Å; C119-E146 HydrophobicContact CB-CG 3.85Å; C119-E146 WeakPolarHBondContact CB-OE1 3.43Å; C119-E146 WeakPolarHBondContact SG-CG 3.29Å; C119-E146 PolarHBondContact SG-OE1 3.48Å; C119-E146 VanDerWaalsContact SG-OE1 3.41Å | ||
| 120 | L | 74.8 | Confident | 60.5 | Low | 101 Ų | 101 | 86 Ų | 86 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | trans | -80.1 | -51.9 | 177 | -62 | 174 | 0 | 0 | 0 | 109.9 | V147 K150 | L120-V147 WeakPolarHBondContact CB-O 3.24Å; L120-V147 PolarHBondContact N-O 2.87Å; L120-K150 HydrophobicContact CD1-CG 4.2Å | ||
| 121 | F | 83 | Confident | 63 | Low | 26 Ų | 26 | 82.7 Ų | 82.7 | 11% | 0.114 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 173.1 | -179.5 | 58.6 | -83.1 | 0 | 0 | 0 | 110.4 | A123 V147 K150 W156 E174 | F121-A123 HydrophobicContact CD2-CB 4.46Å; F121-A123 HydrophobicContact CE2-CB 4Å; F121-V147 HydrophobicContact CD1-CB 4.36Å; F121-V147 HydrophobicContact CD2-CB 4.36Å; F121-V147 HydrophobicContact CD2-CG2 4.12Å; F121-V147 HydrophobicContact CE1-CB 3.87Å; F121-V147 HydrophobicContact CE1-CG1 3.8Å; F121-V147 HydrophobicContact CE1-CG2 4.35Å; F121-V147 HydrophobicContact CE2-CB 3.96Å; F121-V147 HydrophobicContact CE2-CG1 4.42Å; F121-V147 HydrophobicContact CE2-CG2 3.54Å; F121-V147 HydrophobicContact CZ-CB 3.65Å; F121-V147 HydrophobicContact CZ-CG1 3.65Å; F121-V147 HydrophobicContact CZ-CG2 3.63Å; F121-V147 PolarHBondContact O-N 2.82Å; F121-K150 HydrophobicContact CE1-CD 3.77Å; F121-K150 HydrophobicContact CE1-CG 4.16Å; F121-K150 HydrophobicContact CZ-CD 4.21Å; F121-K150 HydrophobicContact CZ-CG 4.46Å; F121-K150 VanDerWaalsContact CZ-NZ 3.35Å; F121-W156 HydrophobicContact CE2-CE3 4.48Å; F121-W156 AromaticContact CE2-CZ3 3.92Å; F121-W156 HydrophobicContact CE2-CZ3 3.92Å; F121-W156 AromaticContact CZ-CE3 3.94Å; F121-W156 HydrophobicContact CZ-CE3 3.94Å; F121-W156 HydrophobicContact CZ-CH2 4.06Å; F121-W156 AromaticContact CZ-CZ3 3.58Å; F121-W156 HydrophobicContact CZ-CZ3 3.58Å; F121-E174 WeakPolarHBondContact CD1-OE1 3.38Å; F121-E174 HydrophobicContact CD2-CB 4.06Å; F121-E174 HydrophobicContact CD2-CG 3.47Å; F121-E174 VanDerWaalsContact CD2-CG 3.47Å; F121-E174 HydrophobicContact CE2-CB 3.77Å; F121-E174 HydrophobicContact CE2-CG 3.59Å; F121-E174 HydrophobicContact CG-CG 4.08Å; F121-E174 WeakPolarHBondContact CG-OE1 3.39Å; F121-E174 HydrophobicContact CZ-CG 4.34Å |
| 122 | I | 83.1 | Confident | 64.9 | Low | 53 Ų | 53 | 83.6 Ų | 83.6 | 27% | 0.272 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132.6 | 173.8 | -55.9 | -57.5 | 0 | 0 | 0 | 109.5 | C144 I145 E146 N175 | I122-C144 HydrophobicContact CG2-CB 4.49Å; I122-I145 WeakPolarHBondContact CA-O 2.93Å; I122-E146 HydrophobicContact CD1-CB 4.21Å; I122-E146 HydrophobicContact CD1-CG 4.26Å; I122-N175 PolarHBondContact O-N 2.89Å |
| 123 | A | 83.7 | Confident | 67 | Low | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 151.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | F121 I145 V147 V172 V173 | F121-A123 HydrophobicContact CD2-CB 4.46Å; F121-A123 HydrophobicContact CE2-CB 4Å; A123-I145 PolarHBondContact N-O 3.5Å; A123-I145 PolarHBondContact O-N 3.11Å; A123-V147 HydrophobicContact CB-CG2 3.67Å; A123-V172 HydrophobicContact CB-CB 3.71Å; A123-V172 HydrophobicContact CB-CG1 4.46Å; A123-V172 HydrophobicContact CB-CG2 3.55Å; A123-V173 CarbonylContact C-O 3.54Å; A123-V173 WeakPolarHBondContact CA-O 3.45Å |
| 124 | H | 83.9 | Confident | 69.2 | Low | 59 Ų | 59 | 87 Ų | 87 | 27% | 0.273 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.5 | 174.9 | -77.1 | -101.7 | 0 | 0 | 0 | 110.6 | C126 D143 C144 V172 V173 N175 | H124-C126 PolarHBondContact O-N 3.42Å; H124-D143 CarbonylContact C-O 3.45Å; H124-D143 WeakPolarHBondContact CA-O 3.08Å; H124-C144 PolarHBondContact CE1-SG 3.15Å; H124-V172 CarbonylContact O-C 3.48Å; H124-V172 WeakPolarHBondContact O-CA 3.37Å; H124-V173 PolarHBondContact N-O 3.13Å; H124-V173 PolarHBondContact O-N 2.9Å; H124-N175 PolarHBondContact CD2-ND2 2.86Å; H124-N175 PolarHBondContact NE2-ND2 2.88Å |
| 125 | A | 79.6 | Confident | 71.5 | Confident | 1 Ų | 1 | 85.8 Ų | 85.8 | 1% | 0.008 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 121.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L139 R140 D142 D143 I145 Y171 V172 | A125-L139 HydrophobicContact CB-CB 4.15Å; A125-L139 HydrophobicContact CB-CD1 4.38Å; A125-R140 WeakPolarHBondContact CB-O 3.42Å; A125-D142 WeakPolarHBondContact O-CA 3.14Å; A125-D142 PolarHBondContact O-N 3.14Å; A125-D143 HydrophobicContact CB-CB 4.13Å; A125-D143 PolarHBondContact N-O 3.19Å; A125-I145 HydrophobicContact CB-CD1 3.79Å; A125-Y171 CarbonylContact C-O 3.54Å; A125-Y171 VanDerWaalsContact CA-O 3.27Å; A125-Y171 WeakPolarHBondContact CA-O 3.18Å; A125-V172 HydrophobicContact CB-CG1 4.36Å |
| 126 | C | 71.2 | Confident | 74.2 | Confident | 46 Ų | 46 | 76.9 Ų | 76.9 | 31% | 0.311 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -84.4 | -18 | 174.6 | -64.6 | 0 | 0 | 0 | 0 | 112.6 | H124 Y171 V173 | H124-C126 PolarHBondContact O-N 3.42Å; C126-Y171 PolarHBondContact N-O 2.87Å; C126-V173 WeakPolarHBondContact SG-CG2 3.22Å |
| 127 | F | 68.9 | Low | 76.6 | Confident | 107 Ų | 107 | 69.8 Ų | 69.8 | 47% | 0.469 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -141.3 | 155.6 | -175.1 | -51.7 | -77.3 | 0 | 0 | 0 | 111.2 | Y171 | F127-Y171 HydrophobicContact CB-CD1 3.67Å; F127-Y171 HydrophobicContact CB-CE1 4.02Å; F127-Y171 HydrophobicContact CB-CG 4.5Å |
| 128 | E | 80.5 | Confident | 79 | Confident | 104 Ų | 104 | 67.1 Ų | 67.1 | 49% | 0.486 | 34% | 0.344 | S | S | . | . | trans | -74.3 | 134.8 | 170.2 | -172.7 | -174.7 | 153.5 | 0 | 0 | 110.2 | K130 F138 L139 Y171 | E128-K130 WeakPolarHBondContact OE1-CE 3.23Å; E128-K130 IonicContact OE1-NZ 3.98Å; E128-F138 HydrophobicContact CG-CE2 4.49Å; E128-F138 HydrophobicContact CG-CZ 4.17Å; E128-L139 CarbonylContact C-O 3.43Å; E128-L139 VanDerWaalsContact CA-O 3.22Å; E128-L139 WeakPolarHBondContact CA-O 3.2Å; E128-L139 VanDerWaalsContact CG-O 3.3Å; E128-L139 WeakPolarHBondContact CG-O 3.46Å; E128-Y171 WeakPolarHBondContact O-CE1 3.34Å | ||
| 129 | Y | 75.8 | Confident | 80.3 | Confident | 15 Ų | 15 | 64.4 Ų | 64.4 | 6% | 0.059 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -125.8 | 123.9 | 176.2 | 179.5 | -106.9 | 0 | 0 | 0 | 110.8 | E136 L137 F138 L139 W155 F167 P168 Y171 | Y129-E136 HydrophobicContact CE1-CB 4.34Å; Y129-E136 PolarHBondContact OH-OE2 2.9Å; Y129-L137 VanDerWaalsContact CD1-O 3.28Å; Y129-L137 WeakPolarHBondContact CD1-O 3.28Å; Y129-F138 WeakPolarHBondContact O-CA 3.25Å; Y129-F138 VanDerWaalsContact O-CD2 3.32Å; Y129-F138 WeakPolarHBondContact O-CD2 3.35Å; Y129-L139 PolarHBondContact N-O 2.87Å; Y129-L139 PolarHBondContact O-N 3.08Å; Y129-W155 HydrophobicContact CE1-CZ3 4.46Å; Y129-W155 WeakPolarHBondContact OH-CH2 3.37Å; Y129-W155 VanDerWaalsContact OH-CZ3 3.27Å; Y129-W155 WeakPolarHBondContact OH-CZ3 3.49Å; Y129-F167 HydrophobicContact CD1-CB 4.49Å; Y129-P168 HydrophobicContact CD1-CG 4.47Å; Y129-P168 HydrophobicContact CD2-CG 3.68Å; Y129-P168 HydrophobicContact CE1-CG 4.47Å; Y129-P168 HydrophobicContact CE2-CG 3.7Å; Y129-P168 HydrophobicContact CG-CG 4.1Å; Y129-Y171 HydrophobicContact CD2-CD1 4.26Å; Y129-Y171 AromaticContact CD2-CE1 3.93Å; Y129-Y171 HydrophobicContact CD2-CE1 3.93Å; Y129-Y171 HydrophobicContact CD2-CE2 4.49Å; Y129-Y171 HydrophobicContact CG-CD1 4.36Å; Y129-Y171 HydrophobicContact CG-CE1 4.41Å |
| 130 | K | 85.5 | Confident | 81.1 | Confident | 142 Ų | 142 | 70 Ų | 70 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | trans | -98 | 119.5 | 177.6 | -70.6 | 179 | -178 | 176.5 | 0 | 109.5 | E128 C132 F138 | E128-K130 WeakPolarHBondContact OE1-CE 3.23Å; E128-K130 IonicContact OE1-NZ 3.98Å; K130-C132 PolarHBondContact O-N 3.36Å; K130-F138 HydrophobicContact CG-CD2 4.36Å; K130-F138 HydrophobicContact CG-CE2 3.91Å | ||
| 131 | P | 82.8 | Confident | 81.3 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 34% | 0.338 | 34% | 0.344 | S | S | . | . | trans | -67.4 | 134.4 | -179.1 | 29.5 | -32.8 | 0 | 0 | 0 | 109.5 | E136 F138 | P131-E136 WeakPolarHBondContact CA-OE2 3.23Å; P131-E136 HydrophobicContact CB-CB 3.55Å; P131-F138 HydrophobicContact CG-CB 4.07Å | ||
| 132 | C | 71.9 | Confident | 81.2 | Confident | 115 Ų | 115 | 75.8 Ų | 75.8 | 78% | 0.777 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -93.7 | -19.3 | 172.6 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | K130 E136 | K130-C132 PolarHBondContact O-N 3.36Å; C132-E136 WeakPolarHBondContact CA-OE2 3.29Å; C132-E136 PolarHBondContact N-OE2 3.43Å |
| 133 | R | 75.7 | Confident | 81.4 | Confident | 158 Ų | 158 | 75 Ų | 75 | 60% | 0.596 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -129.7 | 157.1 | 179.3 | -54.5 | 168.6 | 60 | 118.4 | -0.5 | 111.2 | D135 E136 | R133-D135 WeakPolarHBondContact CB-OD1 3.44Å; R133-D135 IonicContact CZ-OD1 2.83Å; R133-D135 IonicContact NE-OD1 2.7Å; R133-D135 PolarHBondContact NE-OD1 2.91Å; R133-D135 IonicContact NE-OD2 3.95Å; R133-D135 IonicContact NH2-OD1 3.32Å; R133-D135 PolarHBondContact O-N 3.02Å; R133-E136 HydrophobicContact CB-CG 4.02Å; R133-E136 VanDerWaalsContact CD-OE1 3.27Å; R133-E136 WeakPolarHBondContact CD-OE1 3.45Å; R133-E136 WeakPolarHBondContact CG-OE1 3.34Å; R133-E136 PolarHBondContact N-OE2 3.25Å; R133-E136 WeakPolarHBondContact O-CB 3.43Å; R133-E136 PolarHBondContact O-N 3Å; R133-E136 VanDerWaalsContact O-N 3.09Å |
| 134 | D | 78.9 | Confident | 81.5 | Confident | 179 Ų | 179 | 78.6 Ų | 78.6 | 96% | 0.957 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.9 | -179 | -61.5 | -38.9 | 0 | 0 | 0 | 113.4 | E136 | D134-E136 VanDerWaalsContact C-N 3.31Š|
| 135 | D | 84 | Confident | 81.7 | Confident | 72 Ų | 72 | 75.8 Ų | 75.8 | 39% | 0.385 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -2 | 176.4 | 61.8 | -49.3 | 0 | 0 | 0 | 113.7 | R133 G165 W166 | R133-D135 WeakPolarHBondContact CB-OD1 3.44Å; R133-D135 IonicContact CZ-OD1 2.83Å; R133-D135 IonicContact NE-OD1 2.7Å; R133-D135 PolarHBondContact NE-OD1 2.91Å; R133-D135 IonicContact NE-OD2 3.95Å; R133-D135 IonicContact NH2-OD1 3.32Å; R133-D135 PolarHBondContact O-N 3.02Å; D135-G165 CarbonylContact O-C 3.49Å; D135-G165 WeakPolarHBondContact O-CA 3.37Å; D135-W166 PolarHBondContact O-N 3.49Å |
| 136 | E | 88.8 | Confident | 82.2 | Confident | 24 Ų | 24 | 78 Ų | 78 | 11% | 0.112 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -96.2 | 147.4 | -177.6 | -65.5 | 171.6 | -172.3 | 0 | 0 | 112.8 | Y129 P131 C132 R133 D134 W155 W166 | Y129-E136 HydrophobicContact CE1-CB 4.34Å; Y129-E136 PolarHBondContact OH-OE2 2.9Å; P131-E136 WeakPolarHBondContact CA-OE2 3.23Å; P131-E136 HydrophobicContact CB-CB 3.55Å; C132-E136 WeakPolarHBondContact CA-OE2 3.29Å; C132-E136 PolarHBondContact N-OE2 3.43Å; R133-E136 HydrophobicContact CB-CG 4.02Å; R133-E136 VanDerWaalsContact CD-OE1 3.27Å; R133-E136 WeakPolarHBondContact CD-OE1 3.45Å; R133-E136 WeakPolarHBondContact CG-OE1 3.34Å; R133-E136 PolarHBondContact N-OE2 3.25Å; R133-E136 WeakPolarHBondContact O-CB 3.43Å; R133-E136 PolarHBondContact O-N 3Å; R133-E136 VanDerWaalsContact O-N 3.09Å; D134-E136 VanDerWaalsContact C-N 3.31Å; E136-W155 HydrophobicContact CG-CH2 4.32Å; E136-W155 HydrophobicContact CG-CZ3 3.78Å; E136-W155 WeakPolarHBondContact OE1-CH2 3.27Å; E136-W166 CarbonylContact C-O 3.46Å; E136-W166 WeakPolarHBondContact CA-O 3.47Å; E136-W166 WeakPolarHBondContact CB-O 3.45Å |
| 137 | L | 88.1 | Confident | 83 | Confident | 3 Ų | 3 | 75.8 Ų | 75.8 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -97.2 | 120.2 | -177.6 | -175.2 | 66.5 | 0 | 0 | 0 | 110.2 | Y129 L139 I145 C160 R163 W166 F167 | Y129-L137 VanDerWaalsContact CD1-O 3.28Å; Y129-L137 WeakPolarHBondContact CD1-O 3.28Å; L137-L139 HydrophobicContact CD2-CD2 3.89Å; L137-L139 HydrophobicContact CG-CD2 4.07Å; L137-L139 PolarHBondContact O-N 3.28Å; L137-I145 HydrophobicContact CD2-CG2 4.21Å; L137-C160 HydrophobicContact CD1-CB 4.22Å; L137-C160 HydrophobicContact CD2-CB 3.89Å; L137-C160 HydrophobicContact CG-CB 4.35Å; L137-R163 HydrophobicContact CD1-CB 3.55Å; L137-W166 PolarHBondContact N-O 2.84Å; L137-F167 HydrophobicContact CB-CB 4.38Å; L137-F167 HydrophobicContact CB-CD1 4.33Å; L137-F167 HydrophobicContact CD2-CD1 3.89Å; L137-F167 HydrophobicContact CD2-CE1 4.41Å |
| 138 | F | 90.1 | Very high | 83.8 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 25% | 0.246 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 128.1 | 168.3 | -178.2 | -91 | 0 | 0 | 0 | 110.4 | E128 Y129 K130 P131 R140 | E128-F138 HydrophobicContact CG-CE2 4.49Å; E128-F138 HydrophobicContact CG-CZ 4.17Å; Y129-F138 WeakPolarHBondContact O-CA 3.25Å; Y129-F138 VanDerWaalsContact O-CD2 3.32Å; Y129-F138 WeakPolarHBondContact O-CD2 3.35Å; K130-F138 HydrophobicContact CG-CD2 4.36Å; K130-F138 HydrophobicContact CG-CE2 3.91Å; P131-F138 HydrophobicContact CG-CB 4.07Å; F138-R140 HydrophobicContact CD1-CG 4.21Å; F138-R140 HydrophobicContact CE1-CG 3.42Å; F138-R140 VanDerWaalsContact CE1-CG 3.42Å; F138-R140 HydrophobicContact CZ-CG 4.21Å |
| 139 | L | 87.7 | Confident | 84 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -113.9 | 136.1 | 175.3 | -53.3 | 179.9 | 0 | 0 | 0 | 109.5 | A125 E128 Y129 L137 I145 F167 V172 | A125-L139 HydrophobicContact CB-CB 4.15Å; A125-L139 HydrophobicContact CB-CD1 4.38Å; E128-L139 CarbonylContact C-O 3.43Å; E128-L139 VanDerWaalsContact CA-O 3.22Å; E128-L139 WeakPolarHBondContact CA-O 3.2Å; E128-L139 VanDerWaalsContact CG-O 3.3Å; E128-L139 WeakPolarHBondContact CG-O 3.46Å; Y129-L139 PolarHBondContact N-O 2.87Å; Y129-L139 PolarHBondContact O-N 3.08Å; L137-L139 HydrophobicContact CD2-CD2 3.89Å; L137-L139 HydrophobicContact CG-CD2 4.07Å; L137-L139 PolarHBondContact O-N 3.28Å; L139-I145 HydrophobicContact CD2-CD1 3.96Å; L139-I145 HydrophobicContact CD2-CG1 3.73Å; L139-F167 HydrophobicContact CD1-CB 3.78Å; L139-F167 HydrophobicContact CD1-CD2 3.89Å; L139-F167 HydrophobicContact CD1-CG 3.97Å; L139-F167 HydrophobicContact CD2-CB 4.27Å; L139-F167 HydrophobicContact CD2-CG 4.25Å; L139-F167 HydrophobicContact CG-CB 4.1Å; L139-F167 HydrophobicContact CG-CG 4.47Å; L139-V172 HydrophobicContact CD1-CG1 3.95Å |
| 140 | R | 85 | Confident | 84.3 | Confident | 158 Ų | 158 | 75.1 Ų | 75.1 | 60% | 0.596 | 37% | 0.368 | S | S | * | . | trans | -98.1 | 153.6 | 161.3 | -60.4 | -178.3 | 172.5 | 150.4 | 1 | 109.2 | A125 F138 D142 D143 | A125-R140 WeakPolarHBondContact CB-O 3.42Å; F138-R140 HydrophobicContact CD1-CG 4.21Å; F138-R140 HydrophobicContact CE1-CG 3.42Å; F138-R140 VanDerWaalsContact CE1-CG 3.42Å; F138-R140 HydrophobicContact CZ-CG 4.21Å; R140-D142 PolarHBondContact O-N 3.29Å; R140-D143 PolarHBondContact N-OD2 3.2Å; R140-D143 VanDerWaalsContact O-CB 3.32Å; R140-D143 WeakPolarHBondContact O-CB 3.25Å; R140-D143 PolarHBondContact O-N 3.03Å; R140-D143 VanDerWaalsContact O-N 3.08Å | ||
| 141 | K | 79.1 | Confident | 83.6 | Confident | 136 Ų | 136 | 69.9 Ų | 69.9 | 59% | 0.591 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 133.7 | 166.7 | -172.8 | -173.8 | 171.8 | -171.6 | 0 | 109.2 | D143 | K141-D143 VanDerWaalsContact C-N 3.3Å; K141-D143 PolarHBondContact O-N 2.78Å |
| 142 | D | 80.8 | Confident | 82.9 | Confident | 112 Ų | 112 | 73.6 Ų | 73.6 | 60% | 0.599 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 9.7 | -178.9 | -49.1 | -50.8 | 0 | 0 | 0 | 115.6 | A125 R140 | A125-D142 WeakPolarHBondContact O-CA 3.14Å; A125-D142 PolarHBondContact O-N 3.14Å; R140-D142 PolarHBondContact O-N 3.29Å |
| 143 | D | 86.5 | Confident | 82 | Confident | 37 Ų | 37 | 71.3 Ų | 71.3 | 20% | 0.198 | 36% | 0.356 | C | S | . | . | trans | -62.5 | 141.2 | 171.6 | -84.5 | -7.9 | 0 | 0 | 0 | 111.5 | H124 A125 R140 K141 I145 | H124-D143 CarbonylContact C-O 3.45Å; H124-D143 WeakPolarHBondContact CA-O 3.08Å; A125-D143 HydrophobicContact CB-CB 4.13Å; A125-D143 PolarHBondContact N-O 3.19Å; R140-D143 PolarHBondContact N-OD2 3.2Å; R140-D143 VanDerWaalsContact O-CB 3.32Å; R140-D143 WeakPolarHBondContact O-CB 3.25Å; R140-D143 PolarHBondContact O-N 3.03Å; R140-D143 VanDerWaalsContact O-N 3.08Å; K141-D143 VanDerWaalsContact C-N 3.3Å; K141-D143 PolarHBondContact O-N 2.78Å; D143-I145 HydrophobicContact CB-CD1 4.15Å; D143-I145 WeakPolarHBondContact O-CD1 3.45Å | ||
| 144 | C | 86.2 | Confident | 81.8 | Confident | 74 Ų | 74 | 64.7 Ų | 64.7 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.6 | 171.3 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | I122 H124 | I122-C144 HydrophobicContact CG2-CB 4.49Å; H124-C144 PolarHBondContact CE1-SG 3.15Å |
| 145 | I | 88.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124 | -177 | -55.7 | 95.3 | 0 | 0 | 0 | 110.4 | I122 A123 A125 L137 L139 D143 V147 C160 F167 V172 | I122-I145 WeakPolarHBondContact CA-O 2.93Å; A123-I145 PolarHBondContact N-O 3.5Å; A123-I145 PolarHBondContact O-N 3.11Å; A125-I145 HydrophobicContact CB-CD1 3.79Å; L137-I145 HydrophobicContact CD2-CG2 4.21Å; L139-I145 HydrophobicContact CD2-CD1 3.96Å; L139-I145 HydrophobicContact CD2-CG1 3.73Å; D143-I145 HydrophobicContact CB-CD1 4.15Å; D143-I145 WeakPolarHBondContact O-CD1 3.45Å; I145-V147 PolarHBondContact O-N 2.92Å; I145-C160 HydrophobicContact CG1-CB 4.34Å; I145-F167 HydrophobicContact CG2-CD1 4.29Å; I145-F167 HydrophobicContact CG2-CE1 3.49Å; I145-F167 VanDerWaalsContact CG2-CE1 3.49Å; I145-F167 HydrophobicContact CG2-CZ 3.71Å; I145-V172 HydrophobicContact CD1-CG1 3.83Å |
| 146 | E | 90 | Very high | 81.7 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 100.9 | 169.2 | -169.7 | -175 | -163.9 | 0 | 0 | 108.4 | C119 I122 M148 G158 R159 | C119-E146 HydrophobicContact CB-CG 3.85Å; C119-E146 WeakPolarHBondContact CB-OE1 3.43Å; C119-E146 WeakPolarHBondContact SG-CG 3.29Å; C119-E146 PolarHBondContact SG-OE1 3.48Å; C119-E146 VanDerWaalsContact SG-OE1 3.41Å; I122-E146 HydrophobicContact CD1-CB 4.21Å; I122-E146 HydrophobicContact CD1-CG 4.26Å; E146-M148 PolarHBondContact O-N 2.79Å; E146-G158 CarbonylContact O-C 3.55Å; E146-G158 WeakPolarHBondContact O-CA 3.36Å; E146-R159 HydrophobicContact CB-CB 4.2Å; E146-R159 PolarHBondContact N-O 2.94Å; E146-R159 PolarHBondContact O-N 2.84Å; E146-R159 IonicContact OE2-CZ 3.75Å; E146-R159 IonicContact OE2-NE 3.99Å; E146-R159 IonicContact OE2-NH1 2.88Å; E146-R159 PolarHBondContact OE2-NH1 2.77Å |
| 147 | V | 88.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 121.9 | -177.7 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | L120 F121 A123 I145 K150 W156 F167 | L120-V147 WeakPolarHBondContact CB-O 3.24Å; L120-V147 PolarHBondContact N-O 2.87Å; F121-V147 HydrophobicContact CD1-CB 4.36Å; F121-V147 HydrophobicContact CD2-CB 4.36Å; F121-V147 HydrophobicContact CD2-CG2 4.12Å; F121-V147 HydrophobicContact CE1-CB 3.87Å; F121-V147 HydrophobicContact CE1-CG1 3.8Å; F121-V147 HydrophobicContact CE1-CG2 4.35Å; F121-V147 HydrophobicContact CE2-CB 3.96Å; F121-V147 HydrophobicContact CE2-CG1 4.42Å; F121-V147 HydrophobicContact CE2-CG2 3.54Å; F121-V147 HydrophobicContact CZ-CB 3.65Å; F121-V147 HydrophobicContact CZ-CG1 3.65Å; F121-V147 HydrophobicContact CZ-CG2 3.63Å; F121-V147 PolarHBondContact O-N 2.82Å; A123-V147 HydrophobicContact CB-CG2 3.67Å; I145-V147 PolarHBondContact O-N 2.92Å; V147-K150 HydrophobicContact CG1-CG 4.39Å; V147-W156 HydrophobicContact CG1-CB 4.23Å; V147-W156 HydrophobicContact CG1-CD2 4.39Å; V147-W156 HydrophobicContact CG1-CE3 4.12Å; V147-W156 HydrophobicContact CG1-CG 4.48Å; V147-W156 HydrophobicContact CG2-CE3 4.23Å; V147-F167 HydrophobicContact CG2-CZ 4.1Å |
| 148 | M | 85.2 | Confident | 81.8 | Confident | 30 Ų | 30 | 60 Ų | 60 | 15% | 0.148 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -30 | -175.1 | -50 | 177.3 | 73.3 | 0 | 0 | 112.1 | S118 E146 R157 R159 V164 | S118-M148 VanDerWaalsContact CB-CE 3.5Å; S118-M148 VanDerWaalsContact O-CA 3.26Å; S118-M148 WeakPolarHBondContact O-CA 3.43Å; S118-M148 WeakPolarHBondContact O-CB 3.47Å; S118-M148 WeakPolarHBondContact O-CG 3.39Å; S118-M148 WeakPolarHBondContact OG-CE 3.22Å; E146-M148 PolarHBondContact O-N 2.79Å; M148-R157 PolarHBondContact N-O 3.32Å; M148-R159 HydrophobicContact SD-CB 4.25Å; M148-V164 HydrophobicContact SD-CG1 3.94Å |
| 149 | Q | 84.3 | Confident | 81.8 | Confident | 94 Ų | 94 | 61.6 Ų | 61.6 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 133.7 | -177.2 | -169.9 | 175.1 | -0.7 | 0 | 0 | 110.8 | W156 R157 W166 | Q149-W156 CarbonylContact O-C 3.58Å; Q149-W156 VanDerWaalsContact O-CA 3.29Å; Q149-W156 WeakPolarHBondContact O-CA 3.45Å; Q149-R157 HydrophobicContact CB-CB 3.84Å; Q149-R157 PolarHBondContact N-O 2.94Å; Q149-R157 VanDerWaalsContact N-O 3.1Å; Q149-R157 PolarHBondContact O-N 2.93Å; Q149-W166 HydrophobicContact CG-CH2 4.27Å |
| 150 | K | 82.3 | Confident | 81.8 | Confident | 89 Ų | 89 | 63 Ų | 63 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 110.9 | 171.3 | -71.5 | 177.4 | 142.5 | 154.4 | 0 | 108.9 | L120 F121 V147 W156 E174 | L120-K150 HydrophobicContact CD1-CG 4.2Å; F121-K150 HydrophobicContact CE1-CD 3.77Å; F121-K150 HydrophobicContact CE1-CG 4.16Å; F121-K150 HydrophobicContact CZ-CD 4.21Å; F121-K150 HydrophobicContact CZ-CG 4.46Å; F121-K150 VanDerWaalsContact CZ-NZ 3.35Å; V147-K150 HydrophobicContact CG1-CG 4.39Å; K150-W156 HydrophobicContact CD-CZ2 4.21Å; K150-W156 HydrophobicContact CG-CD2 3.98Å; K150-W156 HydrophobicContact CG-CG 4.17Å; K150-W156 HydrophobicContact CG-CZ2 4.21Å; K150-E174 VanDerWaalsContact NZ-CD 3.25Å; K150-E174 IonicContact NZ-OE1 3.96Å; K150-E174 PolarHBondContact NZ-OE1 2.79Å; K150-E174 IonicContact NZ-OE2 3.02Å; K150-E174 PolarHBondContact NZ-OE2 2.82Å |
| 151 | S | 72.2 | Confident | 81.7 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 22% | 0.217 | 32% | 0.318 | C | S | . | . | trans | -89.2 | 148.4 | 170 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | D153 G154 W155 W166 | S151-D153 WeakPolarHBondContact CB-OD1 3.46Å; S151-D153 PolarHBondContact O-N 2.8Å; S151-G154 PolarHBondContact O-N 3.42Å; S151-W155 WeakPolarHBondContact CB-O 3.4Å; S151-W155 PolarHBondContact N-O 3.19Å; S151-W155 VanDerWaalsContact N-O 3.1Å; S151-W155 PolarHBondContact OG-O 3.48Å; S151-W166 VanDerWaalsContact OG-CH2 3.22Å; S151-W166 WeakPolarHBondContact OG-CH2 3.36Å; S151-W166 WeakPolarHBondContact OG-CZ3 3.09Å | ||
| 152 | S | 68.2 | Low | 81.8 | Confident | 130 Ų | 130 | 58 Ų | 58 | 91% | 0.909 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -7.3 | -178.1 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | G154 | S152-G154 VanDerWaalsContact C-N 3.31Š|
| 153 | D | 53.3 | Low | 82.1 | Confident | 68 Ų | 68 | 60.6 Ų | 60.6 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 4.8 | 178.1 | 64 | -6.7 | 0 | 0 | 0 | 113.5 | S151 W155 Y345 | S151-D153 WeakPolarHBondContact CB-OD1 3.46Å; S151-D153 PolarHBondContact O-N 2.8Å; D153-W155 PolarHBondContact OD1-N 3.16Å; D153-W155 VanDerWaalsContact OD1-N 3.1Å; D153-Y345 WeakPolarHBondContact O-CE2 3.22Å; D153-Y345 PolarHBondContact O-OH 3.42Å |
| 154 | G | 70 | Confident | 82.3 | Confident | 18 Ų | 18 | 61.7 Ų | 61.7 | 19% | 0.186 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 89.9 | 2.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S151 S152 S169 | S151-G154 PolarHBondContact O-N 3.42Å; S152-G154 VanDerWaalsContact C-N 3.31Å; G154-S169 WeakPolarHBondContact O-CB 3.29Å; G154-S169 PolarHBondContact O-N 2.89Å; G154-S169 PolarHBondContact O-OG 3.46Å |
| 155 | W | 75.8 | Confident | 82.4 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 19% | 0.186 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.6 | 176.7 | -68.5 | 78.4 | 0 | 0 | 0 | 110.8 | Y129 E136 S151 D153 W166 V332 | Y129-W155 HydrophobicContact CE1-CZ3 4.46Å; Y129-W155 WeakPolarHBondContact OH-CH2 3.37Å; Y129-W155 VanDerWaalsContact OH-CZ3 3.27Å; Y129-W155 WeakPolarHBondContact OH-CZ3 3.49Å; E136-W155 HydrophobicContact CG-CH2 4.32Å; E136-W155 HydrophobicContact CG-CZ3 3.78Å; E136-W155 WeakPolarHBondContact OE1-CH2 3.27Å; S151-W155 WeakPolarHBondContact CB-O 3.4Å; S151-W155 PolarHBondContact N-O 3.19Å; S151-W155 VanDerWaalsContact N-O 3.1Å; S151-W155 PolarHBondContact OG-O 3.48Å; D153-W155 PolarHBondContact OD1-N 3.16Å; D153-W155 VanDerWaalsContact OD1-N 3.1Å; W155-W166 HydrophobicContact CB-CE3 4.01Å; W155-W166 HydrophobicContact CE3-CB 3.99Å; W155-W166 WeakPolarHBondContact O-CZ3 3.31Å; W155-V332 HydrophobicContact CZ2-CG1 4.44Å |
| 156 | W | 86.5 | Confident | 82.4 | Confident | 36 Ų | 36 | 60.9 Ų | 60.9 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140.7 | 176 | -67.1 | -1.2 | 0 | 0 | 0 | 109.5 | F121 V147 Q149 K150 W166 F167 S169 V172 | F121-W156 HydrophobicContact CE2-CE3 4.48Å; F121-W156 AromaticContact CE2-CZ3 3.92Å; F121-W156 HydrophobicContact CE2-CZ3 3.92Å; F121-W156 AromaticContact CZ-CE3 3.94Å; F121-W156 HydrophobicContact CZ-CE3 3.94Å; F121-W156 HydrophobicContact CZ-CH2 4.06Å; F121-W156 AromaticContact CZ-CZ3 3.58Å; F121-W156 HydrophobicContact CZ-CZ3 3.58Å; V147-W156 HydrophobicContact CG1-CB 4.23Å; V147-W156 HydrophobicContact CG1-CD2 4.39Å; V147-W156 HydrophobicContact CG1-CE3 4.12Å; V147-W156 HydrophobicContact CG1-CG 4.48Å; V147-W156 HydrophobicContact CG2-CE3 4.23Å; Q149-W156 CarbonylContact O-C 3.58Å; Q149-W156 VanDerWaalsContact O-CA 3.29Å; Q149-W156 WeakPolarHBondContact O-CA 3.45Å; K150-W156 HydrophobicContact CD-CZ2 4.21Å; K150-W156 HydrophobicContact CG-CD2 3.98Å; K150-W156 HydrophobicContact CG-CG 4.17Å; K150-W156 HydrophobicContact CG-CZ2 4.21Å; W156-W166 VanDerWaalsContact C-CE3 3.45Å; W156-W166 CarbonylContact O-C 3.5Å; W156-W166 WeakPolarHBondContact O-CA 3.29Å; W156-F167 HydrophobicContact CB-CE1 4.21Å; W156-F167 HydrophobicContact CB-CE2 3.87Å; W156-F167 HydrophobicContact CB-CZ 3.67Å; W156-F167 HydrophobicContact CE3-CE2 4.21Å; W156-F167 HydrophobicContact CE3-CZ 4.39Å; W156-F167 PolarHBondContact N-O 3.37Å; W156-F167 VanDerWaalsContact O-CD1 3.26Å; W156-F167 WeakPolarHBondContact O-CD1 3.03Å; W156-F167 WeakPolarHBondContact O-CE1 3.48Å; W156-F167 PolarHBondContact O-N 3.15Å; W156-S169 VanDerWaalsContact CZ2-CB 3.5Å; W156-S169 VanDerWaalsContact NE1-CB 3.34Å; W156-V172 HydrophobicContact CE3-CG2 3.83Å; W156-V172 HydrophobicContact CZ3-CG2 3.65Å |
| 157 | R | 85.6 | Confident | 82 | Confident | 94 Ų | 94 | 58.7 Ų | 58.7 | 36% | 0.355 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 130.1 | 171.6 | -160.7 | 174.2 | -179.4 | -116.4 | -0.1 | 107.9 | M148 Q149 V164 G165 W166 | M148-R157 PolarHBondContact N-O 3.32Å; Q149-R157 HydrophobicContact CB-CB 3.84Å; Q149-R157 PolarHBondContact N-O 2.94Å; Q149-R157 VanDerWaalsContact N-O 3.1Å; Q149-R157 PolarHBondContact O-N 2.93Å; R157-V164 HydrophobicContact CG-CG1 4.38Å; R157-G165 WeakPolarHBondContact CA-O 3.19Å; R157-W166 HydrophobicContact CB-CD2 3.96Å; R157-W166 HydrophobicContact CB-CE3 3.76Å; R157-W166 HydrophobicContact CB-CH2 3.91Å; R157-W166 HydrophobicContact CB-CZ2 4.11Å; R157-W166 HydrophobicContact CB-CZ3 3.73Å; R157-W166 HydrophobicContact CG-CD2 4.21Å; R157-W166 HydrophobicContact CG-CZ2 4.38Å |
| 158 | G | 91.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 178.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E146 V164 G165 | E146-G158 CarbonylContact O-C 3.55Å; E146-G158 WeakPolarHBondContact O-CA 3.36Å; G158-V164 WeakPolarHBondContact O-CA 3.38Å; G158-G165 PolarHBondContact N-O 2.58Å; G158-G165 PolarHBondContact O-N 3.3Å; G158-G165 VanDerWaalsContact O-N 3.1Å |
| 159 | R | 90.9 | Very high | 81 | Confident | 91 Ų | 91 | 58 Ų | 58 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.2 | -179.3 | -179.1 | -173.3 | -66.6 | 150.7 | -8.4 | 109.6 | E146 M148 G161 R163 V164 | E146-R159 HydrophobicContact CB-CB 4.2Å; E146-R159 PolarHBondContact N-O 2.94Å; E146-R159 PolarHBondContact O-N 2.84Å; E146-R159 IonicContact OE2-CZ 3.75Å; E146-R159 IonicContact OE2-NE 3.99Å; E146-R159 IonicContact OE2-NH1 2.88Å; E146-R159 PolarHBondContact OE2-NH1 2.77Å; M148-R159 HydrophobicContact SD-CB 4.25Å; R159-G161 WeakPolarHBondContact CG-O 3.49Å; R159-R163 VanDerWaalsContact CA-O 3.28Å; R159-R163 WeakPolarHBondContact CA-O 3.25Å; R159-V164 HydrophobicContact CB-CG2 3.98Å; R159-V164 HydrophobicContact CG-CG2 3.91Å |
| 160 | C | 87.3 | Confident | 80.3 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 112.9 | 167.1 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | L137 I145 S162 R163 | L137-C160 HydrophobicContact CD1-CB 4.22Å; L137-C160 HydrophobicContact CD2-CB 3.89Å; L137-C160 HydrophobicContact CG-CB 4.35Å; I145-C160 HydrophobicContact CG1-CB 4.34Å; C160-S162 PolarHBondContact O-N 3.38Å; C160-R163 PolarHBondContact N-O 2.83Å; C160-R163 PolarHBondContact O-N 2.72Å |
| 161 | G | 83 | Confident | 80.1 | Confident | 69 Ų | 69 | 51.8 Ų | 51.8 | 71% | 0.711 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | -119.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R159 | R159-G161 WeakPolarHBondContact CG-O 3.49Š|
| 162 | S | 82.4 | Confident | 80.5 | Confident | 120 Ų | 120 | 50.8 Ų | 50.8 | 84% | 0.839 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -7.2 | 178.3 | 59 | 0 | 0 | 0 | 0 | 114.4 | C160 | C160-S162 PolarHBondContact O-N 3.38Š|
| 163 | R | 87.1 | Confident | 81 | Confident | 168 Ų | 168 | 48.3 Ų | 48.3 | 63% | 0.634 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 137.2 | -175.8 | -64.9 | -177 | 178 | -164.5 | -2.1 | 110.4 | L137 R159 C160 | L137-R163 HydrophobicContact CD1-CB 3.55Å; R159-R163 VanDerWaalsContact CA-O 3.28Å; R159-R163 WeakPolarHBondContact CA-O 3.25Å; C160-R163 PolarHBondContact N-O 2.83Å; C160-R163 PolarHBondContact O-N 2.72Å |
| 164 | V | 88.9 | Confident | 82.3 | Confident | 59 Ų | 59 | 49.1 Ų | 49.1 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.9 | 173.6 | 180 | 0 | 0 | 0 | 0 | 107.5 | M148 R157 G158 R159 | M148-V164 HydrophobicContact SD-CG1 3.94Å; R157-V164 HydrophobicContact CG-CG1 4.38Å; G158-V164 WeakPolarHBondContact O-CA 3.38Å; R159-V164 HydrophobicContact CB-CG2 3.98Å; R159-V164 HydrophobicContact CG-CG2 3.91Å |
| 165 | G | 90 | Very high | 82.4 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.2 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D135 R157 G158 | D135-G165 CarbonylContact O-C 3.49Å; D135-G165 WeakPolarHBondContact O-CA 3.37Å; R157-G165 WeakPolarHBondContact CA-O 3.19Å; G158-G165 PolarHBondContact N-O 2.58Å; G158-G165 PolarHBondContact O-N 3.3Å; G158-G165 VanDerWaalsContact O-N 3.1Å |
| 166 | W | 86.7 | Confident | 81.2 | Confident | 56 Ų | 56 | 54.1 Ų | 54.1 | 21% | 0.212 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 137.3 | 174.6 | -65.8 | 100.7 | 0 | 0 | 0 | 110.7 | D135 E136 L137 Q149 S151 W155 W156 R157 | D135-W166 PolarHBondContact O-N 3.49Å; E136-W166 CarbonylContact C-O 3.46Å; E136-W166 WeakPolarHBondContact CA-O 3.47Å; E136-W166 WeakPolarHBondContact CB-O 3.45Å; L137-W166 PolarHBondContact N-O 2.84Å; Q149-W166 HydrophobicContact CG-CH2 4.27Å; S151-W166 VanDerWaalsContact OG-CH2 3.22Å; S151-W166 WeakPolarHBondContact OG-CH2 3.36Å; S151-W166 WeakPolarHBondContact OG-CZ3 3.09Å; W155-W166 HydrophobicContact CB-CE3 4.01Å; W155-W166 HydrophobicContact CE3-CB 3.99Å; W155-W166 WeakPolarHBondContact O-CZ3 3.31Å; W156-W166 VanDerWaalsContact C-CE3 3.45Å; W156-W166 CarbonylContact O-C 3.5Å; W156-W166 WeakPolarHBondContact O-CA 3.29Å; R157-W166 HydrophobicContact CB-CD2 3.96Å; R157-W166 HydrophobicContact CB-CE3 3.76Å; R157-W166 HydrophobicContact CB-CH2 3.91Å; R157-W166 HydrophobicContact CB-CZ2 4.11Å; R157-W166 HydrophobicContact CB-CZ3 3.73Å; R157-W166 HydrophobicContact CG-CD2 4.21Å; R157-W166 HydrophobicContact CG-CZ2 4.38Å |
| 167 | F | 83.3 | Confident | 79 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 152.2 | 172.8 | 61.2 | -87.3 | 0 | 0 | 0 | 109.3 | Y129 L137 L139 I145 V147 W156 S169 V172 | Y129-F167 HydrophobicContact CD1-CB 4.49Å; L137-F167 HydrophobicContact CB-CB 4.38Å; L137-F167 HydrophobicContact CB-CD1 4.33Å; L137-F167 HydrophobicContact CD2-CD1 3.89Å; L137-F167 HydrophobicContact CD2-CE1 4.41Å; L139-F167 HydrophobicContact CD1-CB 3.78Å; L139-F167 HydrophobicContact CD1-CD2 3.89Å; L139-F167 HydrophobicContact CD1-CG 3.97Å; L139-F167 HydrophobicContact CD2-CB 4.27Å; L139-F167 HydrophobicContact CD2-CG 4.25Å; L139-F167 HydrophobicContact CG-CB 4.1Å; L139-F167 HydrophobicContact CG-CG 4.47Å; I145-F167 HydrophobicContact CG2-CD1 4.29Å; I145-F167 HydrophobicContact CG2-CE1 3.49Å; I145-F167 VanDerWaalsContact CG2-CE1 3.49Å; I145-F167 HydrophobicContact CG2-CZ 3.71Å; V147-F167 HydrophobicContact CG2-CZ 4.1Å; W156-F167 HydrophobicContact CB-CE1 4.21Å; W156-F167 HydrophobicContact CB-CE2 3.87Å; W156-F167 HydrophobicContact CB-CZ 3.67Å; W156-F167 HydrophobicContact CE3-CE2 4.21Å; W156-F167 HydrophobicContact CE3-CZ 4.39Å; W156-F167 PolarHBondContact N-O 3.37Å; W156-F167 VanDerWaalsContact O-CD1 3.26Å; W156-F167 WeakPolarHBondContact O-CD1 3.03Å; W156-F167 WeakPolarHBondContact O-CE1 3.48Å; W156-F167 PolarHBondContact O-N 3.15Å; F167-S169 PolarHBondContact O-N 2.79Å; F167-V172 HydrophobicContact CD2-CG1 3.82Å; F167-V172 HydrophobicContact CE2-CB 4.29Å; F167-V172 HydrophobicContact CE2-CG1 3.55Å; F167-V172 HydrophobicContact CE2-CG2 3.66Å; F167-V172 HydrophobicContact CZ-CG1 4.46Å; F167-V172 HydrophobicContact CZ-CG2 4.49Å |
| 168 | P | 74.7 | Confident | 76.9 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.019 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 126.4 | 176.7 | 27.5 | -36.3 | 0 | 0 | 0 | 110.8 | Y129 N170 Y171 | Y129-P168 HydrophobicContact CD1-CG 4.47Å; Y129-P168 HydrophobicContact CD2-CG 3.68Å; Y129-P168 HydrophobicContact CE1-CG 4.47Å; Y129-P168 HydrophobicContact CE2-CG 3.7Å; Y129-P168 HydrophobicContact CG-CG 4.1Å; P168-N170 WeakPolarHBondContact CB-OD1 3.23Å; P168-N170 PolarHBondContact O-N 3.47Å; P168-Y171 HydrophobicContact CB-CD2 3.75Å; P168-Y171 HydrophobicContact CB-CE2 4.12Å; P168-Y171 HydrophobicContact CG-CD2 3.25Å; P168-Y171 HydrophobicContact CG-CE2 3.61Å; P168-Y171 HydrophobicContact CG-CG 3.79Å; P168-Y171 WeakPolarHBondContact O-CB 3.38Å; P168-Y171 PolarHBondContact O-N 3.27Å |
| 169 | S | 76.5 | Confident | 74.4 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -62.2 | -27.8 | -172.6 | 64.1 | 0 | 0 | 0 | 0 | 114.2 | G154 W156 F167 Y171 V172 | G154-S169 WeakPolarHBondContact O-CB 3.29Å; G154-S169 PolarHBondContact O-N 2.89Å; G154-S169 PolarHBondContact O-OG 3.46Å; W156-S169 VanDerWaalsContact CZ2-CB 3.5Å; W156-S169 VanDerWaalsContact NE1-CB 3.34Å; F167-S169 PolarHBondContact O-N 2.79Å; S169-Y171 PolarHBondContact O-N 3.36Å; S169-V172 VanDerWaalsContact O-CG2 3.28Å; S169-V172 WeakPolarHBondContact O-CG2 3.44Å; S169-V172 PolarHBondContact O-N 2.94Å; S169-V172 VanDerWaalsContact O-O 3.1Å |
| 170 | N | 70.1 | Confident | 71.7 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -74.9 | -7.2 | 179.6 | 71.7 | -70.2 | 0 | 0 | 0 | 113.1 | P168 V172 M331 V347 | P168-N170 WeakPolarHBondContact CB-OD1 3.23Å; P168-N170 PolarHBondContact O-N 3.47Å; N170-V172 VanDerWaalsContact C-N 3.26Å; N170-M331 HydrophobicContact CB-CE 4.44Å; N170-M331 WeakPolarHBondContact ND2-CB 3.1Å; N170-M331 VanDerWaalsContact ND2-CG 3.27Å; N170-M331 WeakPolarHBondContact ND2-CG 3.25Å; N170-M331 PolarHBondContact ND2-SD 3.2Å; N170-M331 VanDerWaalsContact ND2-SD 3.42Å; N170-M331 PolarHBondContact OD1-O 3.07Å; N170-V347 HydrophobicContact CB-CG1 4.3Å; N170-V347 WeakPolarHBondContact CB-O 3.31Å |
| 171 | Y | 78.2 | Confident | 69.3 | Low | 38 Ų | 38 | 73.9 Ų | 73.9 | 15% | 0.149 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -84.2 | -6.3 | 172.5 | -79.7 | -116.8 | 0 | 0 | 0 | 112 | A125 C126 F127 E128 Y129 P168 S169 V332 | A125-Y171 CarbonylContact C-O 3.54Å; A125-Y171 VanDerWaalsContact CA-O 3.27Å; A125-Y171 WeakPolarHBondContact CA-O 3.18Å; C126-Y171 PolarHBondContact N-O 2.87Å; F127-Y171 HydrophobicContact CB-CD1 3.67Å; F127-Y171 HydrophobicContact CB-CE1 4.02Å; F127-Y171 HydrophobicContact CB-CG 4.5Å; E128-Y171 WeakPolarHBondContact O-CE1 3.34Å; Y129-Y171 HydrophobicContact CD2-CD1 4.26Å; Y129-Y171 AromaticContact CD2-CE1 3.93Å; Y129-Y171 HydrophobicContact CD2-CE1 3.93Å; Y129-Y171 HydrophobicContact CD2-CE2 4.49Å; Y129-Y171 HydrophobicContact CG-CD1 4.36Å; Y129-Y171 HydrophobicContact CG-CE1 4.41Å; P168-Y171 HydrophobicContact CB-CD2 3.75Å; P168-Y171 HydrophobicContact CB-CE2 4.12Å; P168-Y171 HydrophobicContact CG-CD2 3.25Å; P168-Y171 HydrophobicContact CG-CE2 3.61Å; P168-Y171 HydrophobicContact CG-CG 3.79Å; P168-Y171 WeakPolarHBondContact O-CB 3.38Å; P168-Y171 PolarHBondContact O-N 3.27Å; S169-Y171 PolarHBondContact O-N 3.36Å; Y171-V332 HydrophobicContact CE2-CG2 3.8Å |
| 172 | V | 80.6 | Confident | 67.4 | Low | 11 Ų | 11 | 75.5 Ų | 75.5 | 7% | 0.067 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 151.9 | -178 | -50 | 0 | 0 | 0 | 0 | 111.7 | A123 H124 A125 L139 I145 W156 F167 S169 N170 | A123-V172 HydrophobicContact CB-CB 3.71Å; A123-V172 HydrophobicContact CB-CG1 4.46Å; A123-V172 HydrophobicContact CB-CG2 3.55Å; H124-V172 CarbonylContact O-C 3.48Å; H124-V172 WeakPolarHBondContact O-CA 3.37Å; A125-V172 HydrophobicContact CB-CG1 4.36Å; L139-V172 HydrophobicContact CD1-CG1 3.95Å; I145-V172 HydrophobicContact CD1-CG1 3.83Å; W156-V172 HydrophobicContact CE3-CG2 3.83Å; W156-V172 HydrophobicContact CZ3-CG2 3.65Å; F167-V172 HydrophobicContact CD2-CG1 3.82Å; F167-V172 HydrophobicContact CE2-CB 4.29Å; F167-V172 HydrophobicContact CE2-CG1 3.55Å; F167-V172 HydrophobicContact CE2-CG2 3.66Å; F167-V172 HydrophobicContact CZ-CG1 4.46Å; F167-V172 HydrophobicContact CZ-CG2 4.49Å; S169-V172 VanDerWaalsContact O-CG2 3.28Å; S169-V172 WeakPolarHBondContact O-CG2 3.44Å; S169-V172 PolarHBondContact O-N 2.94Å; S169-V172 VanDerWaalsContact O-O 3.1Å; N170-V172 VanDerWaalsContact C-N 3.26Å |
| 173 | V | 77.8 | Confident | 65.4 | Low | 78 Ų | 78 | 75.8 Ų | 75.8 | 47% | 0.473 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.6 | 169.7 | 169 | 0 | 0 | 0 | 0 | 108.9 | A123 H124 C126 N175 | A123-V173 CarbonylContact C-O 3.54Å; A123-V173 WeakPolarHBondContact CA-O 3.45Å; H124-V173 PolarHBondContact N-O 3.13Å; H124-V173 PolarHBondContact O-N 2.9Å; C126-V173 WeakPolarHBondContact SG-CG2 3.22Å; V173-N175 PolarHBondContact O-N 2.89Å |
| 174 | E | 81.9 | Confident | 62.9 | Low | 85 Ų | 85 | 77.5 Ų | 77.5 | 40% | 0.397 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 115 | 177.7 | 173.9 | 158 | -157.2 | 0 | 0 | 110.1 | F121 K150 S176 | F121-E174 WeakPolarHBondContact CD1-OE1 3.38Å; F121-E174 HydrophobicContact CD2-CB 4.06Å; F121-E174 HydrophobicContact CD2-CG 3.47Å; F121-E174 VanDerWaalsContact CD2-CG 3.47Å; F121-E174 HydrophobicContact CE2-CB 3.77Å; F121-E174 HydrophobicContact CE2-CG 3.59Å; F121-E174 HydrophobicContact CG-CG 4.08Å; F121-E174 WeakPolarHBondContact CG-OE1 3.39Å; F121-E174 HydrophobicContact CZ-CG 4.34Å; K150-E174 VanDerWaalsContact NZ-CD 3.25Å; K150-E174 IonicContact NZ-OE1 3.96Å; K150-E174 PolarHBondContact NZ-OE1 2.79Å; K150-E174 IonicContact NZ-OE2 3.02Å; K150-E174 PolarHBondContact NZ-OE2 2.82Å; E174-S176 PolarHBondContact O-N 3.34Å |
| 175 | N | 71.4 | Confident | 60.8 | Low | 67 Ų | 67 | 79.4 Ų | 79.4 | 36% | 0.358 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 91.9 | 170.9 | -80.7 | 13.8 | 0 | 0 | 0 | 108.2 | I122 H124 V173 S177 | I122-N175 PolarHBondContact O-N 2.89Å; H124-N175 PolarHBondContact CD2-ND2 2.86Å; H124-N175 PolarHBondContact NE2-ND2 2.88Å; V173-N175 PolarHBondContact O-N 2.89Å; N175-S177 PolarHBondContact O-N 2.85Å |
| 176 | S | 50.9 | Low | 58.2 | Low | 105 Ų | 105 | 86.2 Ų | 86.2 | 73% | 0.734 | 48% | 0.481 | S | S | * | . | trans | -71.8 | 79.4 | 170.3 | 61 | 0 | 0 | 0 | 0 | 110 | E174 | E174-S176 PolarHBondContact O-N 3.34Š| ||
| 177 | S | 40.6 | Very low | 56.3 | Low | 88 Ų | 88 | 94.3 Ų | 94.3 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | trans | -113.3 | 113.5 | 161.3 | -50.3 | 0 | 0 | 0 | 0 | 107.4 | N175 I179 | N175-S177 PolarHBondContact O-N 2.85Å; S177-I179 PolarHBondContact O-N 3.41Å | ||
| 178 | P | 40.9 | Very low | 54.7 | Low | 128 Ų | 128 | 100.1 Ų | 100.1 | 83% | 0.831 | 54% | 0.543 | S | S | * | . | trans | -64 | 114.8 | 177.3 | 24.8 | -30.8 | 0 | 0 | 0 | 108.7 | N180 | P178-N180 VanDerWaalsContact C-N 3.29Å; P178-N180 PolarHBondContact O-N 3.21Å | ||
| 179 | I | 38.8 | Very low | 53.9 | Low | 104 Ų | 104 | 106.5 Ų | 106.5 | 53% | 0.533 | 58% | 0.577 | S | S | . | * | trans | -70.7 | 91.4 | 171.8 | -51.6 | 174.1 | 0 | 0 | 0 | 107.1 | S177 R181 | S177-I179 PolarHBondContact O-N 3.41Å; I179-R181 HydrophobicContact CB-CG 4.39Å; I179-R181 HydrophobicContact CG2-CG 3.39Å; I179-R181 PolarHBondContact O-N 3.36Å | ||
| 180 | N | 35.4 | Very low | 53 | Low | 152 Ų | 152 | 112.1 Ų | 112.1 | 81% | 0.813 | 61% | 0.606 | S | S | * | * | trans | -71 | 85 | 167.6 | -159.4 | 7.5 | 0 | 0 | 0 | 108.3 | P178 S182 | P178-N180 VanDerWaalsContact C-N 3.29Å; P178-N180 PolarHBondContact O-N 3.21Å; N180-S182 PolarHBondContact O-N 2.8Å | ||
| 181 | R | 36.2 | Very low | 52.5 | Low | 192 Ų | 192 | 118.1 Ų | 118.1 | 73% | 0.725 | 64% | 0.638 | S | S | * | * | trans | -81.5 | 94.2 | 171.3 | -59.8 | -169.5 | -170.8 | -173.4 | 1.2 | 108.4 | I179 | I179-R181 HydrophobicContact CB-CG 4.39Å; I179-R181 HydrophobicContact CG2-CG 3.39Å; I179-R181 PolarHBondContact O-N 3.36Å | ||
| 182 | S | 43.1 | Very low | 51.5 | Low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 133.4 | 155.7 | 45 | 0 | 0 | 0 | 0 | 109.3 | N180 | N180-S182 PolarHBondContact O-N 2.8Š|
| 183 | P | 40 | Very low | 50.3 | Low | 126 Ų | 126 | 127.2 Ų | 127.2 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 147.3 | -176.1 | 9.4 | 5.6 | 0 | 0 | 0 | 112.5 | ||
| 184 | K | 34.7 | Very low | 49.3 | Very low | 204 Ų | 204 | 133.5 Ų | 133.5 | 89% | 0.887 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 132.8 | 171.6 | -65.8 | -179.2 | 173.9 | -178.7 | 0 | 112.1 | ||
| 185 | A | 44.2 | Very low | 48 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -136.5 | 118.5 | 148.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 186 | N | 35.4 | Very low | 46.8 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | trans | -65.9 | 168.4 | 171.8 | -70.7 | -20.7 | 0 | 0 | 0 | 111.1 | ||||
| 187 | R | 47.3 | Very low | 46.3 | Very low | 226 Ų | 226 | 138.5 Ų | 138.5 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | 111.1 | 134.3 | 163.8 | -60.4 | 173 | -174.8 | 168.3 | 2 | 111.5 | ||||
| 188 | D | 51.1 | Low | 46.9 | Very low | 123 Ų | 123 | 143 Ų | 143 | 66% | 0.658 | 75% | 0.749 | S | S | * | * | cis | -176.4 | 149 | -13.3 | -85.9 | -34.4 | 0 | 0 | 0 | 101.1 | ||||
| 189 | D | 57.1 | Low | 47.4 | Very low | 137 Ų | 137 | 144 Ų | 144 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | 67.4 | 147.1 | 155.9 | -44.2 | -27.7 | 0 | 0 | 0 | 117.9 | ||||
| 190 | D | 58.1 | Low | 47.4 | Very low | 130 Ų | 130 | 147 Ų | 147 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | cis | -170.8 | 145.4 | -11.5 | -97.4 | -31.5 | 0 | 0 | 0 | 105.7 | ||||
| 191 | D | 59.1 | Low | 48 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 59.1 | 129.7 | 144 | -68.5 | -32 | 0 | 0 | 0 | 126.1 | ||||
| 192 | D | 56.9 | Low | 48.5 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | trans | 52.9 | 119 | 136.7 | -89.5 | -8.5 | 0 | 0 | 0 | 120.9 | ||||
| 193 | D | 55.3 | Low | 48.6 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 53% | 0.529 | 76% | 0.757 | S | S | . | * | 103.7 | 136.9 | 64.7 | -172.4 | 29.6 | 0 | 0 | 0 | 111.5 | |||||
| 194 | R | 57.8 | Low | 48.7 | Very low | 210 Ų | 210 | 145.4 Ų | 145.4 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | trans | 63.2 | 154.3 | 167.8 | -81.7 | 174.3 | -94.8 | 178.3 | -2.6 | 117.6 | ||||
| 195 | D | 53.2 | Low | 48.8 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | -169.4 | 158 | -14.6 | -179 | 21.8 | 0 | 0 | 0 | 104.4 | ||||
| 196 | L | 46.1 | Very low | 48.4 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | trans | -33 | 139.5 | 177.1 | -61.1 | 157.2 | 0 | 0 | 0 | 116.6 | ||||
| 197 | G | 42.2 | Very low | 48.7 | Very low | 69 Ų | 69 | 142.7 Ų | 142.7 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 144.1 | 133 | 133.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 198 | K | 52.7 | Low | 48.1 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | 96.4 | 110.8 | 134.6 | -90.7 | 171.2 | 167.9 | -179.1 | 0 | 118.8 | ||||
| 199 | M | 50.5 | Low | 47.4 | Very low | 150 Ų | 150 | 138 Ų | 138 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | trans | 75.4 | 107 | 132.7 | 26.4 | 179.3 | 100.6 | 0 | 0 | 120.9 | ||||
| 200 | N | 38.2 | Very low | 46.8 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | 11 | 119.5 | 128.4 | -60.5 | -15.1 | 0 | 0 | 0 | 117.8 | |||||
| 201 | A | 48.4 | Very low | 46.4 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | -174.6 | 121.3 | 122.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 202 | V | 46.8 | Very low | 46.2 | Very low | 137 Ų | 137 | 138 Ų | 138 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | trans | 40.1 | 112.7 | 133.4 | -158 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 203 | D | 45.7 | Very low | 46.1 | Very low | 111 Ų | 111 | 135 Ų | 135 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | 173.8 | 142.1 | 103.1 | -156.7 | 12.4 | 0 | 0 | 0 | 111.9 | |||||
| 204 | R | 41.7 | Very low | 46.1 | Very low | 203 Ų | 203 | 133.8 Ų | 133.8 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | trans | 31.2 | 128 | 150.9 | -85.5 | 169.1 | -164.5 | 117.8 | -3.2 | 123 | ||||
| 205 | S | 38 | Very low | 46.1 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | trans | 91.2 | 126.2 | 139.6 | -50.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 206 | T | 34.2 | Very low | 46.5 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 80% | 0.798 | 73% | 0.726 | S | S | * | * | trans | 66.8 | 124.6 | 158.9 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 207 | E | 43.2 | Very low | 47.3 | Very low | 166 Ų | 166 | 123.8 Ų | 123.8 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | -169.4 | 148.1 | 53.4 | -69.9 | -175.5 | 148.9 | 0 | 0 | 108.3 | C209 | E207-C209 PolarHBondContact O-N 2.8Š| |||
| 208 | T | 33.5 | Very low | 48.3 | Very low | 145 Ų | 145 | 125.4 Ų | 125.4 | 89% | 0.89 | 71% | 0.708 | S | S | * | * | trans | -56.8 | 118.7 | 168.9 | 36.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 209 | C | 35.8 | Very low | 48.8 | Very low | 107 Ų | 107 | 120.9 Ų | 120.9 | 72% | 0.723 | 69% | 0.692 | S | S | * | * | trans | -109.9 | 98.8 | 179 | -71.5 | 0 | 0 | 0 | 0 | 111.5 | E207 D211 | E207-C209 PolarHBondContact O-N 2.8Å; C209-D211 PolarHBondContact O-N 2.85Å | ||
| 210 | N | 45.4 | Very low | 49.1 | Very low | 141 Ų | 141 | 120.6 Ų | 120.6 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | trans | 32.2 | 66.7 | 153.3 | -65.6 | -11.7 | 0 | 0 | 0 | 120 | N212 | N210-N212 PolarHBondContact O-N 2.88Š| ||
| 211 | D | 48.8 | Very low | 50.3 | Low | 140 Ų | 140 | 115.2 Ų | 115.2 | 75% | 0.749 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -8.6 | 166.9 | -66.6 | -46.1 | 0 | 0 | 0 | 114.1 | C209 A213 | C209-D211 PolarHBondContact O-N 2.85Å; D211-A213 PolarHBondContact O-N 3.17Å |
| 212 | N | 56.4 | Low | 51.1 | Low | 127 Ų | 127 | 114.5 Ų | 114.5 | 68% | 0.679 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74.2 | -22.7 | -172.2 | -63.1 | -24.1 | 0 | 0 | 0 | 114.6 | N210 A216 | N210-N212 PolarHBondContact O-N 2.88Å; N212-A216 WeakPolarHBondContact O-CB 3.38Å; N212-A216 PolarHBondContact O-N 2.89Å |
| 213 | A | 54.4 | Low | 51.8 | Low | 75 Ų | 75 | 112.4 Ų | 112.4 | 62% | 0.62 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -78.4 | -37 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D211 L217 | D211-A213 PolarHBondContact O-N 3.17Å; A213-L217 PolarHBondContact O-N 3.46Å |
| 214 | A | 56.1 | Low | 52.8 | Low | 74 Ų | 74 | 115.2 Ų | 115.2 | 61% | 0.612 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.6 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L217 L218 | A214-L217 PolarHBondContact O-N 2.81Å; A214-L218 PolarHBondContact O-N 2.75Å |
| 215 | D | 56 | Low | 53.8 | Low | 113 Ų | 113 | 110.7 Ų | 110.7 | 60% | 0.604 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.1 | -40.8 | 178.1 | -153.8 | 31.3 | 0 | 0 | 0 | 111.5 | L217 L218 D219 | D215-L217 PolarHBondContact O-N 2.82Å; D215-L218 PolarHBondContact O-N 2.95Å; D215-D219 WeakPolarHBondContact O-CB 3.49Å; D215-D219 PolarHBondContact O-N 2.93Å |
| 216 | A | 62.9 | Low | 55.2 | Low | 60 Ų | 60 | 111 Ų | 111 | 50% | 0.496 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.1 | -35.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N212 Y220 | N212-A216 WeakPolarHBondContact O-CB 3.38Å; N212-A216 PolarHBondContact O-N 2.89Å; A216-Y220 WeakPolarHBondContact O-CB 3.42Å; A216-Y220 PolarHBondContact O-N 3.4Å |
| 217 | L | 63 | Low | 56.9 | Low | 121 Ų | 121 | 109.3 Ų | 109.3 | 63% | 0.634 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.1 | -37 | 176.5 | -160.7 | 92.8 | 0 | 0 | 0 | 111.7 | A213 A214 D215 S221 | A213-L217 PolarHBondContact O-N 3.46Å; A214-L217 PolarHBondContact O-N 2.81Å; D215-L217 PolarHBondContact O-N 2.82Å; L217-S221 WeakPolarHBondContact O-CB 3.29Å; L217-S221 PolarHBondContact O-N 3.13Å; L217-S221 PolarHBondContact O-OG 3.31Å |
| 218 | L | 62.4 | Low | 58.5 | Low | 104 Ų | 104 | 108.5 Ų | 108.5 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.2 | -44.5 | 175.9 | -161.7 | 81.1 | 0 | 0 | 0 | 110.8 | A214 D215 S221 N222 | A214-L218 PolarHBondContact O-N 2.75Å; D215-L218 PolarHBondContact O-N 2.95Å; L218-S221 PolarHBondContact O-N 2.91Å; L218-N222 WeakPolarHBondContact O-CB 3.44Å; L218-N222 VanDerWaalsContact O-CG 3.29Å; L218-N222 PolarHBondContact O-N 3.04Å; L218-N222 PolarHBondContact O-ND2 2.82Å; L218-N222 VanDerWaalsContact O-ND2 3.13Å |
| 219 | D | 63.9 | Low | 60.7 | Low | 86 Ų | 86 | 104.6 Ų | 104.6 | 46% | 0.46 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.8 | -47.2 | 174.9 | -175.5 | 35 | 0 | 0 | 0 | 111.5 | D215 S221 N222 Q223 | D215-D219 WeakPolarHBondContact O-CB 3.49Å; D215-D219 PolarHBondContact O-N 2.93Å; D219-S221 VanDerWaalsContact C-N 3.32Å; D219-S221 PolarHBondContact O-N 2.75Å; D219-N222 PolarHBondContact O-N 2.87Å; D219-Q223 WeakPolarHBondContact O-CB 3.41Å; D219-Q223 VanDerWaalsContact O-CG 3.29Å; D219-Q223 WeakPolarHBondContact O-CG 3.24Å; D219-Q223 PolarHBondContact O-N 3.42Å; D219-Q223 PolarHBondContact OD1-NE2 3.2Å; D219-Q223 VanDerWaalsContact OD1-NE2 3.08Å; D219-Q223 PolarHBondContact OD2-NE2 3.16Å |
| 220 | Y | 56.9 | Low | 62.9 | Low | 145 Ų | 145 | 103.8 Ų | 103.8 | 57% | 0.569 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.7 | -41.3 | 174.7 | -179.6 | -103.4 | 0 | 0 | 0 | 112.8 | A216 Q223 R224 | A216-Y220 WeakPolarHBondContact O-CB 3.42Å; A216-Y220 PolarHBondContact O-N 3.4Å; Y220-Q223 PolarHBondContact O-N 3.29Å; Y220-R224 VanDerWaalsContact O-CB 3.29Å; Y220-R224 WeakPolarHBondContact O-CB 3.42Å; Y220-R224 PolarHBondContact O-N 2.81Å |
| 221 | S | 63.7 | Low | 64.6 | Low | 51 Ų | 51 | 100.6 Ų | 100.6 | 36% | 0.357 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 177.5 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | L217 L218 D219 R224 L225 | L217-S221 WeakPolarHBondContact O-CB 3.29Å; L217-S221 PolarHBondContact O-N 3.13Å; L217-S221 PolarHBondContact O-OG 3.31Å; L218-S221 PolarHBondContact O-N 2.91Å; D219-S221 VanDerWaalsContact C-N 3.32Å; D219-S221 PolarHBondContact O-N 2.75Å; S221-R224 PolarHBondContact O-N 3.32Å; S221-L225 WeakPolarHBondContact O-CB 3.38Å; S221-L225 VanDerWaalsContact O-CG 3.28Å; S221-L225 WeakPolarHBondContact O-CG 3.28Å; S221-L225 PolarHBondContact O-N 3.2Å |
| 222 | N | 65.1 | Low | 66.3 | Low | 74 Ų | 74 | 97.4 Ų | 97.4 | 40% | 0.396 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 176.2 | -74 | -35.8 | 0 | 0 | 0 | 112.1 | L218 D219 L225 N226 | L218-N222 WeakPolarHBondContact O-CB 3.44Å; L218-N222 VanDerWaalsContact O-CG 3.29Å; L218-N222 PolarHBondContact O-N 3.04Å; L218-N222 PolarHBondContact O-ND2 2.82Å; L218-N222 VanDerWaalsContact O-ND2 3.13Å; D219-N222 PolarHBondContact O-N 2.87Å; N222-L225 PolarHBondContact O-N 3.34Å; N222-N226 WeakPolarHBondContact O-CB 3.41Å; N222-N226 PolarHBondContact O-N 2.89Å; N222-N226 PolarHBondContact O-ND2 3.25Å |
| 223 | Q | 61.2 | Low | 67.7 | Low | 92 Ų | 92 | 99 Ų | 99 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 173.2 | -74.1 | 174.3 | 16.8 | 0 | 0 | 110.8 | D219 Y220 L225 N226 D227 | D219-Q223 WeakPolarHBondContact O-CB 3.41Å; D219-Q223 VanDerWaalsContact O-CG 3.29Å; D219-Q223 WeakPolarHBondContact O-CG 3.24Å; D219-Q223 PolarHBondContact O-N 3.42Å; D219-Q223 PolarHBondContact OD1-NE2 3.2Å; D219-Q223 VanDerWaalsContact OD1-NE2 3.08Å; D219-Q223 PolarHBondContact OD2-NE2 3.16Å; Y220-Q223 PolarHBondContact O-N 3.29Å; Q223-L225 VanDerWaalsContact C-N 3.33Å; Q223-L225 PolarHBondContact O-N 3Å; Q223-N226 WeakPolarHBondContact O-CB 3.29Å; Q223-N226 PolarHBondContact O-N 3.3Å; Q223-N226 VanDerWaalsContact O-N 3.15Å; Q223-D227 PolarHBondContact O-N 2.84Å |
| 224 | R | 67 | Low | 69.3 | Low | 170 Ų | 170 | 95.6 Ų | 95.6 | 64% | 0.642 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.2 | -38.2 | 177.6 | -168.9 | 179.3 | -176.8 | -166.5 | 1.6 | 112.7 | Y220 S221 R228 | Y220-R224 VanDerWaalsContact O-CB 3.29Å; Y220-R224 WeakPolarHBondContact O-CB 3.42Å; Y220-R224 PolarHBondContact O-N 2.81Å; S221-R224 PolarHBondContact O-N 3.32Å; R224-R228 WeakPolarHBondContact O-CB 3.38Å; R224-R228 PolarHBondContact O-N 2.89Å |
| 225 | L | 61.2 | Low | 70.8 | Confident | 108 Ų | 108 | 95.3 Ų | 95.3 | 57% | 0.565 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.3 | -46.8 | 173.4 | -77.6 | 165.3 | 0 | 0 | 0 | 110.9 | S221 N222 Q223 D227 R228 T229 | S221-L225 WeakPolarHBondContact O-CB 3.38Å; S221-L225 VanDerWaalsContact O-CG 3.28Å; S221-L225 WeakPolarHBondContact O-CG 3.28Å; S221-L225 PolarHBondContact O-N 3.2Å; N222-L225 PolarHBondContact O-N 3.34Å; Q223-L225 VanDerWaalsContact C-N 3.33Å; Q223-L225 PolarHBondContact O-N 3Å; L225-D227 PolarHBondContact O-N 3.5Å; L225-R228 PolarHBondContact O-N 3.18Å; L225-T229 WeakPolarHBondContact O-CG2 3.34Å; L225-T229 PolarHBondContact O-N 3.33Å |
| 226 | N | 68 | Low | 72.2 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 55% | 0.551 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.2 | -46.3 | 177.5 | -72.6 | -24.9 | 0 | 0 | 0 | 111.5 | N222 Q223 R228 T229 R230 | N222-N226 WeakPolarHBondContact O-CB 3.41Å; N222-N226 PolarHBondContact O-N 2.89Å; N222-N226 PolarHBondContact O-ND2 3.25Å; Q223-N226 WeakPolarHBondContact O-CB 3.29Å; Q223-N226 PolarHBondContact O-N 3.3Å; Q223-N226 VanDerWaalsContact O-N 3.15Å; N226-R228 VanDerWaalsContact C-N 3.32Å; N226-R228 PolarHBondContact O-N 2.97Å; N226-T229 PolarHBondContact O-N 3.13Å; N226-T229 PolarHBondContact O-OG1 2.83Å; N226-R230 VanDerWaalsContact O-CB 3.31Å; N226-R230 WeakPolarHBondContact O-CB 3.38Å; N226-R230 PolarHBondContact O-N 2.92Å |
| 227 | D | 70.9 | Confident | 73.4 | Confident | 94 Ų | 94 | 93.2 Ų | 93.2 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 176.5 | -73 | -21.5 | 0 | 0 | 0 | 111.9 | Q223 L225 R230 I231 | Q223-D227 PolarHBondContact O-N 2.84Å; L225-D227 PolarHBondContact O-N 3.5Å; D227-R230 WeakPolarHBondContact O-CB 3.4Å; D227-R230 PolarHBondContact O-N 3.28Å; D227-I231 WeakPolarHBondContact O-CG1 3.43Å; D227-I231 PolarHBondContact O-N 3.3Å |
| 228 | R | 77.1 | Confident | 74.7 | Confident | 149 Ų | 149 | 88.5 Ų | 88.5 | 56% | 0.562 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.3 | -47.5 | 176.2 | -172.5 | 68.6 | -153.9 | -177.8 | 4.3 | 111.5 | R224 L225 N226 R230 I231 D232 | R224-R228 WeakPolarHBondContact O-CB 3.38Å; R224-R228 PolarHBondContact O-N 2.89Å; L225-R228 PolarHBondContact O-N 3.18Å; N226-R228 VanDerWaalsContact C-N 3.32Å; N226-R228 PolarHBondContact O-N 2.97Å; R228-R230 PolarHBondContact O-N 3.06Å; R228-I231 PolarHBondContact O-N 3.23Å; R228-D232 IonicContact CZ-OD1 3.3Å; R228-D232 VanDerWaalsContact CZ-OD1 3.31Å; R228-D232 IonicContact NE-OD1 2.68Å; R228-D232 PolarHBondContact NE-OD1 3.25Å; R228-D232 VanDerWaalsContact NE-OD1 3.13Å; R228-D232 IonicContact NE-OD2 3.38Å; R228-D232 PolarHBondContact NE-OD2 3.24Å; R228-D232 IonicContact NH2-OD1 2.7Å; R228-D232 PolarHBondContact NH2-OD1 2.94Å; R228-D232 WeakPolarHBondContact O-CB 3.4Å; R228-D232 VanDerWaalsContact O-CG 3.24Å; R228-D232 PolarHBondContact O-N 2.79Å |
| 229 | T | 79.2 | Confident | 75.9 | Confident | 62 Ų | 62 | 89 Ų | 89 | 38% | 0.38 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.9 | -31.6 | 176.6 | 67.4 | 0 | 0 | 0 | 0 | 112.4 | L225 N226 R233 | L225-T229 WeakPolarHBondContact O-CG2 3.34Å; L225-T229 PolarHBondContact O-N 3.33Å; N226-T229 PolarHBondContact O-N 3.13Å; N226-T229 PolarHBondContact O-OG1 2.83Å; T229-R233 VanDerWaalsContact O-CG 3.22Å; T229-R233 WeakPolarHBondContact O-CG 3.34Å; T229-R233 PolarHBondContact O-N 3.42Å; T229-R233 VanDerWaalsContact O-N 3.16Å |
| 230 | R | 80.6 | Confident | 76.9 | Confident | 90 Ų | 90 | 90.9 Ų | 90.9 | 34% | 0.34 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.8 | -51.7 | 176.9 | -176.4 | 173.2 | -175 | 77.5 | -9 | 110.5 | N226 D227 R228 R233 L234 E272 Y273 | N226-R230 VanDerWaalsContact O-CB 3.31Å; N226-R230 WeakPolarHBondContact O-CB 3.38Å; N226-R230 PolarHBondContact O-N 2.92Å; D227-R230 WeakPolarHBondContact O-CB 3.4Å; D227-R230 PolarHBondContact O-N 3.28Å; R228-R230 PolarHBondContact O-N 3.06Å; R230-R233 PolarHBondContact O-N 3.32Å; R230-L234 PolarHBondContact O-N 2.96Å; R230-E272 IonicContact NH1-OE1 3.59Å; R230-E272 PolarHBondContact NH1-OE1 3.26Å; R230-E272 VanDerWaalsContact NH1-OE1 3.16Å; R230-E272 VanDerWaalsContact NH2-C 3.3Å; R230-E272 PolarHBondContact NH2-O 2.88Å; R230-Y273 HydrophobicContact CB-CE1 4.45Å; R230-Y273 HydrophobicContact CG-CD1 3.83Å; R230-Y273 HydrophobicContact CG-CE1 3.35Å; R230-Y273 VanDerWaalsContact O-CE1 3.28Å; R230-Y273 WeakPolarHBondContact O-CE1 3.35Å |
| 231 | I | 81.7 | Confident | 78.4 | Confident | 74 Ų | 74 | 84.2 Ų | 84.2 | 38% | 0.379 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 177.7 | -65.6 | 166.2 | 0 | 0 | 0 | 111.2 | D227 R228 R233 L234 E235 | D227-I231 WeakPolarHBondContact O-CG1 3.43Å; D227-I231 PolarHBondContact O-N 3.3Å; R228-I231 PolarHBondContact O-N 3.23Å; I231-R233 VanDerWaalsContact C-N 3.25Å; I231-R233 PolarHBondContact O-N 2.88Å; I231-L234 WeakPolarHBondContact O-CB 3.48Å; I231-L234 PolarHBondContact O-N 3Å; I231-L234 VanDerWaalsContact O-N 3.12Å; I231-E235 PolarHBondContact O-N 2.95Å |
| 232 | D | 84.7 | Confident | 79.6 | Confident | 73 Ų | 73 | 82.3 Ų | 82.3 | 39% | 0.39 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.6 | -33.4 | -179.1 | -69.4 | -27.3 | 0 | 0 | 0 | 111.7 | R228 A236 | R228-D232 IonicContact CZ-OD1 3.3Å; R228-D232 VanDerWaalsContact CZ-OD1 3.31Å; R228-D232 IonicContact NE-OD1 2.68Å; R228-D232 PolarHBondContact NE-OD1 3.25Å; R228-D232 VanDerWaalsContact NE-OD1 3.13Å; R228-D232 IonicContact NE-OD2 3.38Å; R228-D232 PolarHBondContact NE-OD2 3.24Å; R228-D232 IonicContact NH2-OD1 2.7Å; R228-D232 PolarHBondContact NH2-OD1 2.94Å; R228-D232 WeakPolarHBondContact O-CB 3.4Å; R228-D232 VanDerWaalsContact O-CG 3.24Å; R228-D232 PolarHBondContact O-N 2.79Å; D232-A236 VanDerWaalsContact O-CB 3.26Å; D232-A236 WeakPolarHBondContact O-CB 3.44Å; D232-A236 PolarHBondContact O-N 2.62Å |
| 233 | R | 86.3 | Confident | 80.2 | Confident | 161 Ų | 161 | 81.4 Ų | 81.4 | 61% | 0.608 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.7 | -44.1 | 172.9 | -74.4 | 172.9 | -162.3 | 174.6 | 7.8 | 112.5 | T229 R230 I231 F237 | T229-R233 VanDerWaalsContact O-CG 3.22Å; T229-R233 WeakPolarHBondContact O-CG 3.34Å; T229-R233 PolarHBondContact O-N 3.42Å; T229-R233 VanDerWaalsContact O-N 3.16Å; R230-R233 PolarHBondContact O-N 3.32Å; I231-R233 VanDerWaalsContact C-N 3.25Å; I231-R233 PolarHBondContact O-N 2.88Å; R233-F237 WeakPolarHBondContact O-CB 3.47Å; R233-F237 PolarHBondContact O-N 3.25Å |
| 234 | L | 88.4 | Confident | 81.1 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 177.7 | 175.6 | 64.1 | 0 | 0 | 0 | 110.4 | R230 I231 F237 R238 F258 L269 Y273 L350 S351 | R230-L234 PolarHBondContact O-N 2.96Å; I231-L234 WeakPolarHBondContact O-CB 3.48Å; I231-L234 PolarHBondContact O-N 3Å; I231-L234 VanDerWaalsContact O-N 3.12Å; L234-F237 PolarHBondContact O-N 3.32Å; L234-R238 WeakPolarHBondContact O-CB 3.25Å; L234-R238 PolarHBondContact O-N 2.86Å; L234-F258 HydrophobicContact CD1-CE1 3.94Å; L234-F258 HydrophobicContact CD1-CZ 4.31Å; L234-L269 HydrophobicContact CD1-CD1 4.38Å; L234-L269 HydrophobicContact CD1-CD2 3.85Å; L234-Y273 HydrophobicContact CB-CD1 4.12Å; L234-Y273 HydrophobicContact CB-CE1 3.91Å; L234-Y273 HydrophobicContact CB-CG 4.49Å; L234-Y273 HydrophobicContact CD1-CD2 4.07Å; L234-Y273 HydrophobicContact CD1-CE2 4.37Å; L234-Y273 HydrophobicContact CD1-CG 4.27Å; L234-Y273 HydrophobicContact CD2-CD1 4.15Å; L234-Y273 HydrophobicContact CD2-CG 4.12Å; L234-L350 HydrophobicContact CD1-CD2 4.24Å; L234-L350 HydrophobicContact CD2-CG 4.31Å; L234-S351 WeakPolarHBondContact CD2-OXT 3.33Å |
| 235 | E | 87.6 | Confident | 81.7 | Confident | 68 Ų | 68 | 73.4 Ų | 73.4 | 32% | 0.318 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | -177.8 | -177 | 55.7 | -158 | 0 | 0 | 111.8 | I231 F237 R238 Q239 | I231-E235 PolarHBondContact O-N 2.95Å; E235-F237 VanDerWaalsContact C-N 3.3Å; E235-F237 PolarHBondContact O-N 2.7Å; E235-R238 PolarHBondContact O-N 3.17Å; E235-R238 IonicContact OE1-NH1 3.44Å; E235-R238 PolarHBondContact OE1-NH1 2.65Å; E235-R238 IonicContact OE2-CZ 3.65Å; E235-R238 IonicContact OE2-NH1 2.77Å; E235-R238 PolarHBondContact OE2-NH1 3.29Å; E235-Q239 VanDerWaalsContact O-CG 3.31Å; E235-Q239 WeakPolarHBondContact O-CG 3.29Å; E235-Q239 PolarHBondContact O-N 2.84Å; E235-Q239 PolarHBondContact OE1-NE2 2.92Å |
| 236 | A | 85 | Confident | 82.3 | Confident | 58 Ų | 58 | 70 Ų | 70 | 48% | 0.479 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D232 H240 | D232-A236 VanDerWaalsContact O-CB 3.26Å; D232-A236 WeakPolarHBondContact O-CB 3.44Å; D232-A236 PolarHBondContact O-N 2.62Å; A236-H240 PolarHBondContact O-N 2.79Å; A236-H240 VanDerWaalsContact O-N 3.11Å |
| 237 | F | 86.9 | Confident | 82.5 | Confident | 70 Ų | 70 | 65.2 Ų | 65.2 | 31% | 0.307 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 177 | -173.2 | -88.9 | 0 | 0 | 0 | 111.9 | R233 L234 E235 Q239 H240 A241 L261 Q265 L269 | R233-F237 WeakPolarHBondContact O-CB 3.47Å; R233-F237 PolarHBondContact O-N 3.25Å; L234-F237 PolarHBondContact O-N 3.32Å; E235-F237 VanDerWaalsContact C-N 3.3Å; E235-F237 PolarHBondContact O-N 2.7Å; F237-Q239 PolarHBondContact O-N 3.09Å; F237-H240 PolarHBondContact O-N 2.8Å; F237-A241 PolarHBondContact O-N 2.88Å; F237-L261 HydrophobicContact CD1-CD1 4.48Å; F237-L261 HydrophobicContact CE1-CD1 3.42Å; F237-L261 VanDerWaalsContact CE1-CD1 3.42Å; F237-L261 HydrophobicContact CZ-CD1 4.04Å; F237-Q265 HydrophobicContact CZ-CB 4.47Å; F237-Q265 HydrophobicContact CZ-CG 4.32Å; F237-L269 HydrophobicContact CD1-CD1 3.83Å; F237-L269 HydrophobicContact CD1-CD2 4.3Å; F237-L269 HydrophobicContact CE1-CD1 3.76Å; F237-L269 HydrophobicContact CE1-CG 4.48Å |
| 238 | R | 90.4 | Very high | 82.6 | Confident | 22 Ų | 22 | 65 Ų | 65 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.8 | -48.4 | 174.9 | 176 | 174.7 | 166.8 | -91.7 | -9 | 111.1 | L234 E235 H240 A241 I242 R254 E255 Y257 F258 | L234-R238 WeakPolarHBondContact O-CB 3.25Å; L234-R238 PolarHBondContact O-N 2.86Å; E235-R238 PolarHBondContact O-N 3.17Å; E235-R238 IonicContact OE1-NH1 3.44Å; E235-R238 PolarHBondContact OE1-NH1 2.65Å; E235-R238 IonicContact OE2-CZ 3.65Å; E235-R238 IonicContact OE2-NH1 2.77Å; E235-R238 PolarHBondContact OE2-NH1 3.29Å; R238-H240 VanDerWaalsContact C-N 3.33Å; R238-H240 PolarHBondContact O-N 3.41Å; R238-A241 PolarHBondContact O-N 3.43Å; R238-I242 HydrophobicContact CG-CD1 3.68Å; R238-I242 HydrophobicContact CG-CG1 4.3Å; R238-I242 WeakPolarHBondContact O-CB 3.42Å; R238-I242 VanDerWaalsContact O-CG1 3.26Å; R238-I242 WeakPolarHBondContact O-CG1 3.41Å; R238-I242 PolarHBondContact O-N 3.26Å; R238-R254 PolarHBondContact NH2-O 3.02Å; R238-E255 PolarHBondContact NE-O 3.19Å; R238-Y257 PolarHBondContact NE-O 3.5Å; R238-F258 HydrophobicContact CB-CD1 4.03Å; R238-F258 HydrophobicContact CB-CE1 3.89Å; R238-F258 HydrophobicContact CB-CZ 4.41Å; R238-F258 HydrophobicContact CG-CD1 4.03Å; R238-F258 HydrophobicContact CG-CD2 4.35Å; R238-F258 HydrophobicContact CG-CE1 4.06Å; R238-F258 HydrophobicContact CG-CE2 4.39Å; R238-F258 HydrophobicContact CG-CG 4.18Å; R238-F258 HydrophobicContact CG-CZ 4.25Å |
| 239 | Q | 87.6 | Confident | 82 | Confident | 114 Ų | 114 | 61 Ų | 61 | 53% | 0.533 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 178.2 | -71.8 | 176.7 | 13.5 | 0 | 0 | 112.4 | E235 F237 I242 A243 | E235-Q239 VanDerWaalsContact O-CG 3.31Å; E235-Q239 WeakPolarHBondContact O-CG 3.29Å; E235-Q239 PolarHBondContact O-N 2.84Å; E235-Q239 PolarHBondContact OE1-NE2 2.92Å; F237-Q239 PolarHBondContact O-N 3.09Å; Q239-I242 PolarHBondContact O-N 2.71Å; Q239-A243 WeakPolarHBondContact O-CB 3.44Å; Q239-A243 PolarHBondContact O-N 3.41Å |
| 240 | H | 86.5 | Confident | 81.4 | Confident | 126 Ų | 126 | 60.6 Ų | 60.6 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 175 | -178.5 | 80.1 | 0 | 0 | 0 | 112.3 | A236 F237 R238 A243 N244 | A236-H240 PolarHBondContact O-N 2.79Å; A236-H240 VanDerWaalsContact O-N 3.11Å; F237-H240 PolarHBondContact O-N 2.8Å; R238-H240 VanDerWaalsContact C-N 3.33Å; R238-H240 PolarHBondContact O-N 3.41Å; H240-A243 PolarHBondContact O-N 3.34Å; H240-N244 PolarHBondContact O-ND2 3.44Å |
| 241 | A | 88.3 | Confident | 81.6 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.8 | -38.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F237 R238 A243 N244 G245 F258 G259 R260 | F237-A241 PolarHBondContact O-N 2.88Å; R238-A241 PolarHBondContact O-N 3.43Å; A241-A243 PolarHBondContact O-N 2.88Å; A241-N244 CarbonylContact O-C 3.57Å; A241-N244 PolarHBondContact O-N 3.41Å; A241-G245 PolarHBondContact O-N 3.3Å; A241-G245 VanDerWaalsContact O-N 3.11Å; A241-F258 CarbonylContact C-O 3.49Å; A241-F258 WeakPolarHBondContact CB-O 3.24Å; A241-G259 WeakPolarHBondContact O-CA 3.06Å; A241-R260 PolarHBondContact O-N 3.4Å |
| 242 | I | 87.9 | Confident | 81.3 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 171.6 | -71.8 | 171.1 | 0 | 0 | 0 | 111.1 | R238 Q239 N244 G245 K248 Y257 | R238-I242 HydrophobicContact CG-CD1 3.68Å; R238-I242 HydrophobicContact CG-CG1 4.3Å; R238-I242 WeakPolarHBondContact O-CB 3.42Å; R238-I242 VanDerWaalsContact O-CG1 3.26Å; R238-I242 WeakPolarHBondContact O-CG1 3.41Å; R238-I242 PolarHBondContact O-N 3.26Å; Q239-I242 PolarHBondContact O-N 2.71Å; I242-N244 PolarHBondContact O-N 3.05Å; I242-N244 VanDerWaalsContact O-N 3.08Å; I242-G245 PolarHBondContact O-N 2.85Å; I242-K248 HydrophobicContact CG2-CG 3.85Å; I242-K248 WeakPolarHBondContact O-CB 3.5Å; I242-K248 WeakPolarHBondContact O-CD 3.34Å; I242-K248 WeakPolarHBondContact O-CG 3.43Å; I242-Y257 WeakPolarHBondContact CD1-O 3.25Å; I242-Y257 HydrophobicContact CG1-CD1 4.18Å |
| 243 | A | 78 | Confident | 81.1 | Confident | 55 Ų | 55 | 56 Ų | 56 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.7 | -28.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q239 H240 A241 | Q239-A243 WeakPolarHBondContact O-CB 3.44Å; Q239-A243 PolarHBondContact O-N 3.41Å; H240-A243 PolarHBondContact O-N 3.34Å; A241-A243 PolarHBondContact O-N 2.88Å |
| 244 | N | 79.4 | Confident | 81.1 | Confident | 90 Ų | 90 | 52.9 Ų | 52.9 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 1.1 | 179.2 | -67.1 | -75.9 | 0 | 0 | 0 | 113.9 | H240 A241 I242 R260 | H240-N244 PolarHBondContact O-ND2 3.44Å; A241-N244 CarbonylContact O-C 3.57Å; A241-N244 PolarHBondContact O-N 3.41Å; I242-N244 PolarHBondContact O-N 3.05Å; I242-N244 VanDerWaalsContact O-N 3.08Å; N244-R260 HydrophobicContact CB-CB 4.15Å; N244-R260 WeakPolarHBondContact O-CB 3.48Å |
| 245 | G | 80.1 | Confident | 81.1 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | trans | -76 | 141.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A241 I242 A247 K248 | A241-G245 PolarHBondContact O-N 3.3Å; A241-G245 VanDerWaalsContact O-N 3.11Å; I242-G245 PolarHBondContact O-N 2.85Å; G245-A247 VanDerWaalsContact C-N 3.31Å; G245-A247 PolarHBondContact O-N 2.9Å; G245-K248 WeakPolarHBondContact O-CB 3.4Å; G245-K248 PolarHBondContact O-N 2.83Å | ||
| 246 | S | 74.1 | Confident | 81.3 | Confident | 36 Ų | 36 | 57 Ų | 57 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -27 | 178.1 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | D283 | S246-D283 VanDerWaalsContact CB-OD2 3.28Å; S246-D283 WeakPolarHBondContact CB-OD2 3.26Å; S246-D283 PolarHBondContact N-OD2 3.02Å; S246-D283 PolarHBondContact OG-OD1 3.01Å; S246-D283 PolarHBondContact OG-OD2 3.47Å |
| 247 | A | 71.6 | Confident | 81.8 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 21.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G245 I249 L250 Y251 Y257 | G245-A247 VanDerWaalsContact C-N 3.31Å; G245-A247 PolarHBondContact O-N 2.9Å; A247-I249 PolarHBondContact O-N 2.95Å; A247-L250 PolarHBondContact O-N 3.3Å; A247-L250 VanDerWaalsContact O-N 3.08Å; A247-Y251 HydrophobicContact CB-CD2 3.55Å; A247-Y251 HydrophobicContact CB-CE2 3.83Å; A247-Y251 PolarHBondContact O-N 2.59Å; A247-Y257 WeakPolarHBondContact CA-OH 3.37Å; A247-Y257 HydrophobicContact CB-CE2 4.19Å; A247-Y257 WeakPolarHBondContact CB-OH 3.28Å; A247-Y257 PolarHBondContact N-OH 2.84Å |
| 248 | K | 73.5 | Confident | 82.1 | Confident | 89 Ų | 89 | 50.9 Ų | 50.9 | 39% | 0.387 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -48.4 | -44.3 | 176 | 179.5 | -173.7 | -179 | -167.4 | 0 | 112.5 | I242 G245 L250 S252 | I242-K248 HydrophobicContact CG2-CG 3.85Å; I242-K248 WeakPolarHBondContact O-CB 3.5Å; I242-K248 WeakPolarHBondContact O-CD 3.34Å; I242-K248 WeakPolarHBondContact O-CG 3.43Å; G245-K248 WeakPolarHBondContact O-CB 3.4Å; G245-K248 PolarHBondContact O-N 2.83Å; K248-L250 PolarHBondContact O-N 2.98Å; K248-S252 WeakPolarHBondContact O-CA 3.37Å; K248-S252 WeakPolarHBondContact O-CB 3.31Å; K248-S252 PolarHBondContact O-N 3.08Å; K248-S252 PolarHBondContact O-OG 3.2Å |
| 249 | I | 64.4 | Low | 82.1 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 33% | 0.333 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.7 | -31.7 | -173.4 | -61.4 | 170.1 | 0 | 0 | 0 | 111.1 | Y6 L28 A247 | Y6-I249 HydrophobicContact CD1-CG2 4.1Å; Y6-I249 HydrophobicContact CE1-CB 4.41Å; Y6-I249 HydrophobicContact CE1-CG2 3.19Å; Y6-I249 PolarHBondContact OH-O 3.19Å; L28-I249 HydrophobicContact CD2-CD1 3.43Å; L28-I249 VanDerWaalsContact CD2-CD1 3.43Å; A247-I249 PolarHBondContact O-N 2.95Å |
| 250 | L | 67.1 | Low | 82.3 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -84.8 | -41.5 | -179.6 | -74.6 | 162.4 | 0 | 0 | 0 | 112.7 | Y6 W61 A247 K248 | Y6-L250 HydrophobicContact CD2-CD2 3.76Å; Y6-L250 HydrophobicContact CD2-CG 4.46Å; Y6-L250 HydrophobicContact CE2-CD2 3.11Å; Y6-L250 HydrophobicContact CE2-CG 3.88Å; W61-L250 HydrophobicContact CB-CD1 4.18Å; A247-L250 PolarHBondContact O-N 3.3Å; A247-L250 VanDerWaalsContact O-N 3.08Å; K248-L250 PolarHBondContact O-N 2.98Å |
| 251 | Y | 83 | Confident | 82.6 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -126.3 | 6.7 | -162.3 | -50.8 | -50.8 | 0 | 0 | 0 | 114.4 | A247 G253 R254 W256 Y257 L291 F313 I323 | A247-Y251 HydrophobicContact CB-CD2 3.55Å; A247-Y251 HydrophobicContact CB-CE2 3.83Å; A247-Y251 PolarHBondContact O-N 2.59Å; Y251-G253 PolarHBondContact O-N 3.47Å; Y251-R254 HydrophobicContact CD1-CG 4.11Å; Y251-R254 WeakPolarHBondContact O-CB 3.21Å; Y251-R254 PolarHBondContact O-N 2.98Å; Y251-W256 AromaticContact CD1-CH2 3.5Å; Y251-W256 HydrophobicContact CD1-CH2 3.5Å; Y251-W256 HydrophobicContact CD1-CZ2 4.19Å; Y251-W256 HydrophobicContact CD1-CZ3 4.34Å; Y251-W256 HydrophobicContact CD2-CH2 4.2Å; Y251-W256 HydrophobicContact CD2-CZ3 4.35Å; Y251-W256 AromaticContact CE1-CH2 3.94Å; Y251-W256 HydrophobicContact CE1-CH2 3.94Å; Y251-W256 AromaticContact CG-CH2 3.66Å; Y251-W256 HydrophobicContact CG-CH2 3.66Å; Y251-W256 HydrophobicContact CG-CZ3 4.04Å; Y251-Y257 HydrophobicContact CD2-CD2 4.33Å; Y251-Y257 HydrophobicContact CD2-CE2 4.41Å; Y251-Y257 HydrophobicContact CG-CG 4.5Å; Y251-Y257 WeakPolarHBondContact O-CB 3.33Å; Y251-L291 HydrophobicContact CE2-CD1 4.1Å; Y251-F313 VanDerWaalsContact OH-CZ 3.29Å; Y251-F313 WeakPolarHBondContact OH-CZ 3.45Å; Y251-I323 HydrophobicContact CE1-CG2 3.8Å; Y251-I323 HydrophobicContact CE2-CD1 4.5Å |
| 252 | S | 75.6 | Confident | 82.9 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 37% | 0.371 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -36.6 | 177.2 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | K248 R254 | K248-S252 WeakPolarHBondContact O-CA 3.37Å; K248-S252 WeakPolarHBondContact O-CB 3.31Å; K248-S252 PolarHBondContact O-N 3.08Å; K248-S252 PolarHBondContact O-OG 3.2Å; S252-R254 VanDerWaalsContact C-N 3.31Å; S252-R254 PolarHBondContact O-N 2.84Å |
| 253 | G | 80.3 | Confident | 83.3 | Confident | 71 Ų | 71 | 54.6 Ų | 54.6 | 73% | 0.732 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -3.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y251 | Y251-G253 PolarHBondContact O-N 3.47Š|
| 254 | R | 87.5 | Confident | 84.2 | Confident | 94 Ų | 94 | 56.2 Ų | 56.2 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | trans | -91.3 | 122.7 | 179.8 | -59.2 | -71.5 | -170.3 | 144 | 13.3 | 109.2 | R238 Y251 S252 W256 Y257 D324 | R238-R254 PolarHBondContact NH2-O 3.02Å; Y251-R254 HydrophobicContact CD1-CG 4.11Å; Y251-R254 WeakPolarHBondContact O-CB 3.21Å; Y251-R254 PolarHBondContact O-N 2.98Å; S252-R254 VanDerWaalsContact C-N 3.31Å; S252-R254 PolarHBondContact O-N 2.84Å; R254-W256 HydrophobicContact CB-CD2 3.92Å; R254-W256 HydrophobicContact CB-CE3 4.33Å; R254-W256 HydrophobicContact CB-CG 4.44Å; R254-W256 HydrophobicContact CB-CH2 4.2Å; R254-W256 HydrophobicContact CB-CZ2 3.75Å; R254-W256 HydrophobicContact CB-CZ3 4.47Å; R254-W256 HydrophobicContact CG-CH2 4.15Å; R254-W256 HydrophobicContact CG-CZ2 3.64Å; R254-W256 PolarHBondContact O-N 2.94Å; R254-Y257 PolarHBondContact O-N 2.91Å; R254-D324 IonicContact CZ-OD1 3.39Å; R254-D324 IonicContact CZ-OD2 2.8Å; R254-D324 IonicContact NH1-OD1 2.59Å; R254-D324 PolarHBondContact NH1-OD1 3.06Å; R254-D324 IonicContact NH1-OD2 3.55Å; R254-D324 PolarHBondContact NH1-OD2 3.05Å; R254-D324 IonicContact NH2-OD1 3.89Å; R254-D324 IonicContact NH2-OD2 3.56Å; R254-D324 PolarHBondContact NH2-OD2 2.91Å | ||
| 255 | E | 88.6 | Confident | 84.9 | Confident | 142 Ų | 142 | 55.1 Ų | 55.1 | 66% | 0.664 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -37.7 | -177 | -64 | 174.5 | 107.3 | 0 | 0 | 112.4 | R238 Y257 P349 | R238-E255 PolarHBondContact NE-O 3.19Å; E255-Y257 VanDerWaalsContact C-N 3.28Å; E255-Y257 PolarHBondContact O-N 3.33Å; E255-P349 HydrophobicContact CB-CB 4.13Å; E255-P349 HydrophobicContact CB-CG 4.31Å |
| 256 | W | 92.3 | Very high | 85.7 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -13.1 | 179.2 | 49.1 | -105.3 | 0 | 0 | 0 | 114.7 | Y251 R254 Y279 L280 I281 I323 I327 P349 | Y251-W256 AromaticContact CD1-CH2 3.5Å; Y251-W256 HydrophobicContact CD1-CH2 3.5Å; Y251-W256 HydrophobicContact CD1-CZ2 4.19Å; Y251-W256 HydrophobicContact CD1-CZ3 4.34Å; Y251-W256 HydrophobicContact CD2-CH2 4.2Å; Y251-W256 HydrophobicContact CD2-CZ3 4.35Å; Y251-W256 AromaticContact CE1-CH2 3.94Å; Y251-W256 HydrophobicContact CE1-CH2 3.94Å; Y251-W256 AromaticContact CG-CH2 3.66Å; Y251-W256 HydrophobicContact CG-CH2 3.66Å; Y251-W256 HydrophobicContact CG-CZ3 4.04Å; R254-W256 HydrophobicContact CB-CD2 3.92Å; R254-W256 HydrophobicContact CB-CE3 4.33Å; R254-W256 HydrophobicContact CB-CG 4.44Å; R254-W256 HydrophobicContact CB-CH2 4.2Å; R254-W256 HydrophobicContact CB-CZ2 3.75Å; R254-W256 HydrophobicContact CB-CZ3 4.47Å; R254-W256 HydrophobicContact CG-CH2 4.15Å; R254-W256 HydrophobicContact CG-CZ2 3.64Å; R254-W256 PolarHBondContact O-N 2.94Å; W256-Y279 HydrophobicContact CB-CD2 4.34Å; W256-Y279 HydrophobicContact CB-CE2 3.64Å; W256-Y279 HydrophobicContact CG-CE2 4.28Å; W256-L280 CarbonylContact O-C 3.53Å; W256-I281 HydrophobicContact CD2-CD1 4.2Å; W256-I281 HydrophobicContact CE3-CB 3.74Å; W256-I281 HydrophobicContact CE3-CD1 3.66Å; W256-I281 HydrophobicContact CE3-CG1 3.96Å; W256-I281 HydrophobicContact CE3-CG2 4.39Å; W256-I281 HydrophobicContact CZ3-CB 4.08Å; W256-I281 HydrophobicContact CZ3-CD1 3.92Å; W256-I281 HydrophobicContact CZ3-CG1 4.47Å; W256-I281 HydrophobicContact CZ3-CG2 4.23Å; W256-I281 PolarHBondContact O-N 3.04Å; W256-I323 HydrophobicContact CH2-CD1 3.58Å; W256-I323 HydrophobicContact CH2-CG1 3.99Å; W256-I323 HydrophobicContact CH2-CG2 3.79Å; W256-I323 HydrophobicContact CZ2-CD1 4.45Å; W256-I323 HydrophobicContact CZ2-CG1 4.4Å; W256-I323 HydrophobicContact CZ2-CG2 3.85Å; W256-I323 HydrophobicContact CZ3-CD1 3.81Å; W256-I327 HydrophobicContact CD2-CD1 3.9Å; W256-I327 HydrophobicContact CG-CD1 4.14Å; W256-I327 HydrophobicContact CZ2-CD1 4.01Å; W256-P349 HydrophobicContact CB-CB 4.01Å; W256-P349 HydrophobicContact CB-CG 4.07Å |
| 257 | Y | 93.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -92.4 | 130.4 | -177 | -174.6 | -115.9 | 0 | 0 | 0 | 111.6 | R238 I242 A247 Y251 R254 E255 G259 I281 D283 L291 | R238-Y257 PolarHBondContact NE-O 3.5Å; I242-Y257 WeakPolarHBondContact CD1-O 3.25Å; I242-Y257 HydrophobicContact CG1-CD1 4.18Å; A247-Y257 WeakPolarHBondContact CA-OH 3.37Å; A247-Y257 HydrophobicContact CB-CE2 4.19Å; A247-Y257 WeakPolarHBondContact CB-OH 3.28Å; A247-Y257 PolarHBondContact N-OH 2.84Å; Y251-Y257 HydrophobicContact CD2-CD2 4.33Å; Y251-Y257 HydrophobicContact CD2-CE2 4.41Å; Y251-Y257 HydrophobicContact CG-CG 4.5Å; Y251-Y257 WeakPolarHBondContact O-CB 3.33Å; R254-Y257 PolarHBondContact O-N 2.91Å; E255-Y257 VanDerWaalsContact C-N 3.28Å; E255-Y257 PolarHBondContact O-N 3.33Å; Y257-G259 WeakPolarHBondContact OH-CA 2.71Å; Y257-I281 WeakPolarHBondContact CA-O 3.36Å; Y257-D283 PolarHBondContact OH-OD1 3.49Å; Y257-L291 HydrophobicContact CE2-CD2 4.19Å |
| 258 | F | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -117.7 | 6.5 | -178.1 | -83.1 | -114.4 | 0 | 0 | 0 | 112.9 | L234 R238 A241 L261 L269 L280 I281 L350 | L234-F258 HydrophobicContact CD1-CE1 3.94Å; L234-F258 HydrophobicContact CD1-CZ 4.31Å; R238-F258 HydrophobicContact CB-CD1 4.03Å; R238-F258 HydrophobicContact CB-CE1 3.89Å; R238-F258 HydrophobicContact CB-CZ 4.41Å; R238-F258 HydrophobicContact CG-CD1 4.03Å; R238-F258 HydrophobicContact CG-CD2 4.35Å; R238-F258 HydrophobicContact CG-CE1 4.06Å; R238-F258 HydrophobicContact CG-CE2 4.39Å; R238-F258 HydrophobicContact CG-CG 4.18Å; R238-F258 HydrophobicContact CG-CZ 4.25Å; A241-F258 CarbonylContact C-O 3.49Å; A241-F258 WeakPolarHBondContact CB-O 3.24Å; F258-L261 HydrophobicContact CB-CB 4.39Å; F258-L261 HydrophobicContact CB-CD2 3.87Å; F258-L261 HydrophobicContact CD1-CD2 4.14Å; F258-L261 HydrophobicContact CG-CD2 4.28Å; F258-L269 HydrophobicContact CD1-CD1 4.05Å; F258-L269 HydrophobicContact CE1-CD1 3.98Å; F258-L280 HydrophobicContact CD1-CD2 4.36Å; F258-L280 HydrophobicContact CD2-CB 3.58Å; F258-L280 HydrophobicContact CD2-CD2 4.5Å; F258-L280 HydrophobicContact CD2-CG 4.49Å; F258-L280 HydrophobicContact CE1-CD2 4.44Å; F258-L280 HydrophobicContact CE2-CB 3.75Å; F258-L280 HydrophobicContact CG-CB 4.17Å; F258-L280 HydrophobicContact CG-CD2 4.39Å; F258-L280 HydrophobicContact CZ-CB 4.46Å; F258-I281 PolarHBondContact N-O 3.35Å; F258-L350 HydrophobicContact CE1-CD2 4.42Å; F258-L350 HydrophobicContact CE2-CB 4.38Å; F258-L350 HydrophobicContact CZ-CB 4.15Å; F258-L350 HydrophobicContact CZ-CD2 4.11Å; F258-L350 HydrophobicContact CZ-CG 4.39Å | ||
| 259 | G | 90.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 67.5 | -140.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A241 Y257 L261 R282 D283 | A241-G259 WeakPolarHBondContact O-CA 3.06Å; Y257-G259 WeakPolarHBondContact OH-CA 2.71Å; G259-L261 PolarHBondContact O-N 2.88Å; G259-R282 WeakPolarHBondContact O-CA 3.31Å; G259-D283 PolarHBondContact O-N 3.41Å |
| 260 | R | 91.4 | Very high | 90.3 | Very high | 174 Ų | 174 | 54.2 Ų | 54.2 | 66% | 0.657 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -80.6 | 87 | 179.9 | -171.4 | 177.8 | -176 | -159.5 | -1.1 | 110 | A241 N244 | A241-R260 PolarHBondContact O-N 3.4Å; N244-R260 HydrophobicContact CB-CB 4.15Å; N244-R260 WeakPolarHBondContact O-CB 3.48Å |
| 261 | L | 93.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | trans | -118.7 | 131.4 | -179.5 | -174.7 | 71.5 | 0 | 0 | 0 | 110.2 | F237 F258 G259 Q265 L269 L280 R282 | F237-L261 HydrophobicContact CD1-CD1 4.48Å; F237-L261 HydrophobicContact CE1-CD1 3.42Å; F237-L261 VanDerWaalsContact CE1-CD1 3.42Å; F237-L261 HydrophobicContact CZ-CD1 4.04Å; F258-L261 HydrophobicContact CB-CB 4.39Å; F258-L261 HydrophobicContact CB-CD2 3.87Å; F258-L261 HydrophobicContact CD1-CD2 4.14Å; F258-L261 HydrophobicContact CG-CD2 4.28Å; G259-L261 PolarHBondContact O-N 2.88Å; L261-Q265 HydrophobicContact CD1-CB 3.51Å; L261-Q265 HydrophobicContact CD1-CG 4.47Å; L261-Q265 HydrophobicContact CG-CB 4.1Å; L261-L269 HydrophobicContact CD1-CD1 4.05Å; L261-L269 HydrophobicContact CD2-CD1 4.09Å; L261-L280 HydrophobicContact CD2-CD1 3.63Å; L261-L280 HydrophobicContact CD2-CD2 3.92Å; L261-L280 HydrophobicContact CD2-CG 4.46Å; L261-R282 HydrophobicContact CB-CB 3.73Å; L261-R282 HydrophobicContact CB-CG 4.49Å; L261-R282 HydrophobicContact CD2-CB 4.43Å; L261-R282 VanDerWaalsContact O-CD 3.32Å; L261-R282 WeakPolarHBondContact O-CD 3.22Å; L261-R282 PolarHBondContact O-NH1 2.86Å | ||
| 262 | T | 94.8 | Very high | 92.1 | Very high | 47 Ų | 47 | 59.3 Ų | 59.3 | 29% | 0.288 | 29% | 0.292 | S | S | . | . | trans | -74.6 | 161.1 | 176.6 | 71.5 | 0 | 0 | 0 | 0 | 111.7 | D264 Q265 S266 E285 | T262-D264 VanDerWaalsContact C-N 3.29Å; T262-D264 PolarHBondContact O-N 3.38Å; T262-Q265 PolarHBondContact O-N 3.12Å; T262-Q265 WeakPolarHBondContact OG1-CB 3.4Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.23Å; T262-Q265 PolarHBondContact OG1-N 3.04Å; T262-Q265 PolarHBondContact OG1-OE1 2.84Å; T262-S266 WeakPolarHBondContact O-CB 3.37Å; T262-S266 PolarHBondContact O-N 3.27Å; T262-S266 PolarHBondContact O-OG 2.84Å; T262-E285 VanDerWaalsContact CA-CD 3.49Å; T262-E285 VanDerWaalsContact CA-OE1 3.27Å; T262-E285 WeakPolarHBondContact CA-OE1 3.45Å; T262-E285 WeakPolarHBondContact CB-OE1 3.26Å; T262-E285 WeakPolarHBondContact CG2-OE1 2.9Å | ||
| 263 | R | 96.1 | Very high | 92.9 | Very high | 133 Ų | 133 | 58 Ų | 58 | 50% | 0.502 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 176.6 | -174.7 | 176.4 | 176.4 | 154.1 | -2.5 | 110.5 | S266 Q267 R282 E285 H303 | R263-S266 WeakPolarHBondContact CA-OG 3.47Å; R263-S266 PolarHBondContact O-N 2.97Å; R263-S266 PolarHBondContact O-OG 2.94Å; R263-Q267 WeakPolarHBondContact O-CB 3.5Å; R263-Q267 PolarHBondContact O-N 3.16Å; R263-R282 VanDerWaalsContact CA-CZ 3.49Å; R263-R282 VanDerWaalsContact CB-NH2 3.31Å; R263-R282 VanDerWaalsContact N-NH1 3.18Å; R263-E285 WeakPolarHBondContact CA-OE2 3.37Å; R263-E285 VanDerWaalsContact CB-OE2 3.23Å; R263-E285 WeakPolarHBondContact CB-OE2 3.32Å; R263-E285 VanDerWaalsContact N-CD 3.33Å; R263-E285 PolarHBondContact N-OE1 2.99Å; R263-E285 PolarHBondContact N-OE2 3.47Å; R263-H303 PolarHBondContact NE-CD2 3.07Å; R263-H303 PolarHBondContact NH2-CD2 3.26Å |
| 264 | D | 96.1 | Very high | 93.4 | Very high | 89 Ų | 89 | 55.3 Ų | 55.3 | 48% | 0.476 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 178.1 | -178.8 | 72.7 | 0 | 0 | 0 | 112 | T262 S266 Q267 K268 | T262-D264 VanDerWaalsContact C-N 3.29Å; T262-D264 PolarHBondContact O-N 3.38Å; D264-S266 VanDerWaalsContact C-N 3.34Å; D264-S266 PolarHBondContact O-N 2.96Å; D264-Q267 WeakPolarHBondContact O-CB 3.46Å; D264-Q267 PolarHBondContact O-N 2.68Å; D264-K268 WeakPolarHBondContact O-CG 3.46Å; D264-K268 PolarHBondContact O-N 3.28Å; D264-K268 IonicContact OD1-NZ 3.13Å; D264-K268 VanDerWaalsContact OD2-CE 3.25Å; D264-K268 WeakPolarHBondContact OD2-CE 3.44Å; D264-K268 IonicContact OD2-NZ 3.31Å; D264-K268 PolarHBondContact OD2-NZ 3.01Å |
| 265 | Q | 95.3 | Very high | 93.7 | Very high | 67 Ų | 67 | 56.9 Ų | 56.9 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 173.9 | -72.5 | 167.8 | -25.7 | 0 | 0 | 111.3 | F237 L261 T262 Q267 K268 L269 | F237-Q265 HydrophobicContact CZ-CB 4.47Å; F237-Q265 HydrophobicContact CZ-CG 4.32Å; L261-Q265 HydrophobicContact CD1-CB 3.51Å; L261-Q265 HydrophobicContact CD1-CG 4.47Å; L261-Q265 HydrophobicContact CG-CB 4.1Å; T262-Q265 PolarHBondContact O-N 3.12Å; T262-Q265 WeakPolarHBondContact OG1-CB 3.4Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.23Å; T262-Q265 PolarHBondContact OG1-N 3.04Å; T262-Q265 PolarHBondContact OG1-OE1 2.84Å; Q265-Q267 VanDerWaalsContact C-N 3.31Å; Q265-Q267 PolarHBondContact O-N 2.83Å; Q265-K268 PolarHBondContact O-N 2.61Å; Q265-L269 WeakPolarHBondContact O-CG 3.23Å; Q265-L269 PolarHBondContact O-N 2.92Å |
| 266 | S | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -36 | 177 | 72.2 | 0 | 0 | 0 | 0 | 113 | T262 R263 D264 L270 R282 S294 H303 | T262-S266 WeakPolarHBondContact O-CB 3.37Å; T262-S266 PolarHBondContact O-N 3.27Å; T262-S266 PolarHBondContact O-OG 2.84Å; R263-S266 WeakPolarHBondContact CA-OG 3.47Å; R263-S266 PolarHBondContact O-N 2.97Å; R263-S266 PolarHBondContact O-OG 2.94Å; D264-S266 VanDerWaalsContact C-N 3.34Å; D264-S266 PolarHBondContact O-N 2.96Å; S266-L270 WeakPolarHBondContact O-CB 3.32Å; S266-L270 WeakPolarHBondContact O-CD1 3.42Å; S266-L270 VanDerWaalsContact O-CG 3.25Å; S266-L270 WeakPolarHBondContact O-CG 3.49Å; S266-L270 PolarHBondContact O-N 3.18Å; S266-R282 PolarHBondContact OG-NE 2.95Å; S266-S294 WeakPolarHBondContact CB-OG 3.35Å; S266-S294 PolarHBondContact OG-OG 2.83Å; S266-H303 PolarHBondContact OG-CE1 3.09Å; S266-H303 VanDerWaalsContact OG-CE1 3.31Å |
| 267 | Q | 95.9 | Very high | 93.7 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -52 | 174.4 | 177 | 73 | 46 | 0 | 0 | 109.9 | R263 D264 Q265 L269 L270 D271 N301 | R263-Q267 WeakPolarHBondContact O-CB 3.5Å; R263-Q267 PolarHBondContact O-N 3.16Å; D264-Q267 WeakPolarHBondContact O-CB 3.46Å; D264-Q267 PolarHBondContact O-N 2.68Å; Q265-Q267 VanDerWaalsContact C-N 3.31Å; Q265-Q267 PolarHBondContact O-N 2.83Å; Q267-L269 PolarHBondContact O-N 3.23Å; Q267-L270 PolarHBondContact O-N 3.32Å; Q267-D271 WeakPolarHBondContact CG-OD2 3.39Å; Q267-D271 PolarHBondContact NE2-OD1 3.24Å; Q267-D271 VanDerWaalsContact NE2-OD1 3.13Å; Q267-D271 PolarHBondContact NE2-OD2 2.7Å; Q267-D271 WeakPolarHBondContact O-CB 3.44Å; Q267-D271 PolarHBondContact O-N 2.68Å; Q267-N301 PolarHBondContact NE2-ND2 2.88Å; Q267-N301 PolarHBondContact O-ND2 2.88Å |
| 268 | K | 95 | Very high | 93.8 | Very high | 122 Ų | 122 | 53.9 Ų | 53.9 | 53% | 0.53 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58 | -45.2 | 178.6 | -72.5 | 168.6 | 176.2 | 162.9 | 0 | 112.6 | D264 Q265 D271 E272 | D264-K268 WeakPolarHBondContact O-CG 3.46Å; D264-K268 PolarHBondContact O-N 3.28Å; D264-K268 IonicContact OD1-NZ 3.13Å; D264-K268 VanDerWaalsContact OD2-CE 3.25Å; D264-K268 WeakPolarHBondContact OD2-CE 3.44Å; D264-K268 IonicContact OD2-NZ 3.31Å; D264-K268 PolarHBondContact OD2-NZ 3.01Å; Q265-K268 PolarHBondContact O-N 2.61Å; K268-D271 PolarHBondContact O-N 3.46Å; K268-E272 VanDerWaalsContact O-CB 3.26Å; K268-E272 WeakPolarHBondContact O-CB 3.42Å; K268-E272 PolarHBondContact O-N 3.45Å |
| 269 | L | 94.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 178.6 | -70.9 | 179.4 | 0 | 0 | 0 | 112.4 | L234 F237 F258 L261 Q265 Q267 Y273 L350 | L234-L269 HydrophobicContact CD1-CD1 4.38Å; L234-L269 HydrophobicContact CD1-CD2 3.85Å; F237-L269 HydrophobicContact CD1-CD1 3.83Å; F237-L269 HydrophobicContact CD1-CD2 4.3Å; F237-L269 HydrophobicContact CE1-CD1 3.76Å; F237-L269 HydrophobicContact CE1-CG 4.48Å; F258-L269 HydrophobicContact CD1-CD1 4.05Å; F258-L269 HydrophobicContact CE1-CD1 3.98Å; L261-L269 HydrophobicContact CD1-CD1 4.05Å; L261-L269 HydrophobicContact CD2-CD1 4.09Å; Q265-L269 WeakPolarHBondContact O-CG 3.23Å; Q265-L269 PolarHBondContact O-N 2.92Å; Q267-L269 PolarHBondContact O-N 3.23Å; L269-Y273 HydrophobicContact CD2-CD2 4.03Å; L269-Y273 HydrophobicContact CD2-CE2 3.87Å; L269-Y273 WeakPolarHBondContact O-CB 3.42Å; L269-Y273 WeakPolarHBondContact O-CD2 3.43Å; L269-Y273 PolarHBondContact O-N 2.98Å; L269-L350 HydrophobicContact CB-CD2 3.93Å |
| 270 | L | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.3 | -35.5 | 176.9 | -71.3 | 168.2 | 0 | 0 | 0 | 111.9 | S266 Q267 G274 L280 K296 N301 L350 | S266-L270 WeakPolarHBondContact O-CB 3.32Å; S266-L270 WeakPolarHBondContact O-CD1 3.42Å; S266-L270 VanDerWaalsContact O-CG 3.25Å; S266-L270 WeakPolarHBondContact O-CG 3.49Å; S266-L270 PolarHBondContact O-N 3.18Å; Q267-L270 PolarHBondContact O-N 3.32Å; L270-G274 WeakPolarHBondContact O-CA 3.37Å; L270-G274 PolarHBondContact O-N 3.45Å; L270-L280 HydrophobicContact CD2-CD2 4.34Å; L270-L280 HydrophobicContact CG-CD2 4.2Å; L270-K296 HydrophobicContact CB-CB 4.3Å; L270-K296 HydrophobicContact CB-CD 4.28Å; L270-K296 HydrophobicContact CD2-CB 4.01Å; L270-K296 WeakPolarHBondContact O-CD 3.45Å; L270-N301 VanDerWaalsContact CB-ND2 3.34Å; L270-N301 WeakPolarHBondContact CB-ND2 3.46Å; L270-N301 HydrophobicContact CD1-CB 4.3Å; L270-L350 HydrophobicContact CD2-CD1 4.21Å; L270-L350 HydrophobicContact CD2-CD2 4.16Å |
| 271 | D | 94.5 | Very high | 94.5 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -71.7 | -35.6 | 177.4 | -67.3 | -21.3 | 0 | 0 | 0 | 112 | Q267 K268 N301 | Q267-D271 WeakPolarHBondContact CG-OD2 3.39Å; Q267-D271 PolarHBondContact NE2-OD1 3.24Å; Q267-D271 VanDerWaalsContact NE2-OD1 3.13Å; Q267-D271 PolarHBondContact NE2-OD2 2.7Å; Q267-D271 WeakPolarHBondContact O-CB 3.44Å; Q267-D271 PolarHBondContact O-N 2.68Å; K268-D271 PolarHBondContact O-N 3.46Å; D271-N301 PolarHBondContact OD1-ND2 2.74Å |
| 272 | E | 92.4 | Very high | 94.5 | Very high | 93 Ų | 93 | 46 Ų | 46 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -78.2 | -55.3 | 177.8 | -175 | 169.9 | -174.1 | 0 | 0 | 110.6 | R230 K268 | R230-E272 IonicContact NH1-OE1 3.59Å; R230-E272 PolarHBondContact NH1-OE1 3.26Å; R230-E272 VanDerWaalsContact NH1-OE1 3.16Å; R230-E272 VanDerWaalsContact NH2-C 3.3Å; R230-E272 PolarHBondContact NH2-O 2.88Å; K268-E272 VanDerWaalsContact O-CB 3.26Å; K268-E272 WeakPolarHBondContact O-CB 3.42Å; K268-E272 PolarHBondContact O-N 3.45Å |
| 273 | Y | 92.4 | Very high | 94.4 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 11% | 0.106 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -103.1 | -17.2 | -167.5 | -58.9 | -90.3 | 0 | 0 | 0 | 114.5 | R230 L234 L269 | R230-Y273 HydrophobicContact CB-CE1 4.45Å; R230-Y273 HydrophobicContact CG-CD1 3.83Å; R230-Y273 HydrophobicContact CG-CE1 3.35Å; R230-Y273 VanDerWaalsContact O-CE1 3.28Å; R230-Y273 WeakPolarHBondContact O-CE1 3.35Å; L234-Y273 HydrophobicContact CB-CD1 4.12Å; L234-Y273 HydrophobicContact CB-CE1 3.91Å; L234-Y273 HydrophobicContact CB-CG 4.49Å; L234-Y273 HydrophobicContact CD1-CD2 4.07Å; L234-Y273 HydrophobicContact CD1-CE2 4.37Å; L234-Y273 HydrophobicContact CD1-CG 4.27Å; L234-Y273 HydrophobicContact CD2-CD1 4.15Å; L234-Y273 HydrophobicContact CD2-CG 4.12Å; L269-Y273 HydrophobicContact CD2-CD2 4.03Å; L269-Y273 HydrophobicContact CD2-CE2 3.87Å; L269-Y273 WeakPolarHBondContact O-CB 3.42Å; L269-Y273 WeakPolarHBondContact O-CD2 3.43Å; L269-Y273 PolarHBondContact O-N 2.98Å |
| 274 | G | 91.4 | Very high | 94.2 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -91.6 | 144 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L270 L350 | L270-G274 WeakPolarHBondContact O-CA 3.37Å; L270-G274 PolarHBondContact O-N 3.45Å; G274-L350 VanDerWaalsContact CA-CD1 3.41Å |
| 275 | H | 92.8 | Very high | 93.9 | Very high | 128 Ų | 128 | 39.2 Ų | 39.2 | 59% | 0.593 | 19% | 0.193 | S | C | * | . | P | Polyproline II helix | trans | -99.9 | 160.8 | 165.5 | -59.1 | 76 | 0 | 0 | 0 | 110.1 | G277 D278 K296 | H275-G277 PolarHBondContact O-N 3.25Å; H275-D278 PolarHBondContact N-OD2 3.06Å; H275-D278 IonicContact ND1-OD2 3.96Å; H275-D278 WeakPolarHBondContact O-CB 2.97Å; H275-D278 VanDerWaalsContact O-CG 3.28Å; H275-D278 PolarHBondContact O-N 2.75Å; H275-K296 VanDerWaalsContact C-CG 3.46Å; H275-K296 VanDerWaalsContact O-CB 3.25Å; H275-K296 WeakPolarHBondContact O-CB 3.44Å; H275-K296 WeakPolarHBondContact O-CG 3.43Å |
| 276 | D | 91.6 | Very high | 93.6 | Very high | 84 Ų | 84 | 41 Ų | 41 | 45% | 0.449 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 124.8 | -178.5 | -66 | -18.8 | 0 | 0 | 0 | 111.3 | K296 A297 P298 | D276-K296 IonicContact OD1-NZ 3.61Å; D276-K296 PolarHBondContact OD1-NZ 2.69Å; D276-A297 VanDerWaalsContact OD1-C 3.29Å; D276-P298 HydrophobicContact CB-CG 4.34Å; D276-P298 WeakPolarHBondContact OD1-CA 3.49Å; D276-P298 WeakPolarHBondContact OD2-CA 3.2Å; D276-P298 WeakPolarHBondContact OD2-CB 3.5Å; D276-P298 WeakPolarHBondContact OD2-CG 3.38Å |
| 277 | G | 90.1 | Very high | 93.2 | Very high | 9 Ų | 9 | 44 Ų | 44 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99 | -15.4 | -172 | 0 | 0 | 0 | 0 | 0 | 114.9 | H275 L295 K296 V347 | H275-G277 PolarHBondContact O-N 3.25Å; G277-L295 WeakPolarHBondContact O-CD1 3.31Å; G277-K296 PolarHBondContact N-O 2.89Å; G277-V347 PolarHBondContact O-N 3.26Å |
| 278 | D | 95 | Very high | 92.6 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.011 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 138.8 | 176.7 | -68.2 | -0.5 | 0 | 0 | 0 | 110.5 | H275 L295 K296 K348 L350 | H275-D278 PolarHBondContact N-OD2 3.06Å; H275-D278 IonicContact ND1-OD2 3.96Å; H275-D278 WeakPolarHBondContact O-CB 2.97Å; H275-D278 VanDerWaalsContact O-CG 3.28Å; H275-D278 PolarHBondContact O-N 2.75Å; D278-L295 WeakPolarHBondContact O-CD1 3.42Å; D278-K296 HydrophobicContact CB-CB 4.36Å; D278-K296 WeakPolarHBondContact O-CB 3.41Å; D278-K296 PolarHBondContact O-N 2.83Å; D278-K348 CarbonylContact C-O 3.42Å; D278-K348 VanDerWaalsContact CA-O 3.31Å; D278-K348 WeakPolarHBondContact CA-O 2.99Å; D278-K348 WeakPolarHBondContact OD1-CE 3.5Å; D278-K348 WeakPolarHBondContact OD1-CG 3.44Å; D278-K348 WeakPolarHBondContact OD2-CE 3.24Å; D278-L350 HydrophobicContact CB-CD1 4.33Å |
| 279 | Y | 96.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 158.4 | -175.8 | 70.2 | -86.5 | 0 | 0 | 0 | 113.2 | W256 I293 S294 I327 L346 K348 P349 L350 | W256-Y279 HydrophobicContact CB-CD2 4.34Å; W256-Y279 HydrophobicContact CB-CE2 3.64Å; W256-Y279 HydrophobicContact CG-CE2 4.28Å; Y279-I293 HydrophobicContact CD2-CD1 3.83Å; Y279-I293 HydrophobicContact CD2-CG1 4.27Å; Y279-I293 HydrophobicContact CG-CD1 4.3Å; Y279-S294 CarbonylContact C-O 3.53Å; Y279-S294 VanDerWaalsContact CA-O 3.23Å; Y279-S294 WeakPolarHBondContact CA-O 3.46Å; Y279-S294 WeakPolarHBondContact CB-O 3.26Å; Y279-I327 HydrophobicContact CE2-CG2 4.35Å; Y279-I327 VanDerWaalsContact OH-CG2 3.28Å; Y279-I327 WeakPolarHBondContact OH-CG2 3.24Å; Y279-L346 HydrophobicContact CD1-CB 3.74Å; Y279-L346 HydrophobicContact CD1-CD2 4.11Å; Y279-L346 HydrophobicContact CD1-CG 4.37Å; Y279-L346 HydrophobicContact CE1-CB 3.85Å; Y279-L346 HydrophobicContact CG-CB 4.37Å; Y279-L346 HydrophobicContact CG-CD2 3.94Å; Y279-K348 VanDerWaalsContact CD1-C 3.48Å; Y279-K348 WeakPolarHBondContact CD1-O 3.43Å; Y279-K348 VanDerWaalsContact CE1-O 3.31Å; Y279-K348 WeakPolarHBondContact CE1-O 3.37Å; Y279-K348 PolarHBondContact N-O 2.66Å; Y279-P349 CarbonylContact O-C 3.48Å; Y279-P349 WeakPolarHBondContact O-CA 3.03Å; Y279-L350 PolarHBondContact O-N 3.43Å |
| 280 | L | 97 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 154.1 | 169.1 | 64.5 | 82.2 | 0 | 0 | 0 | 109.7 | W256 F258 L261 L270 R282 I293 S294 L350 | W256-L280 CarbonylContact O-C 3.53Å; F258-L280 HydrophobicContact CD1-CD2 4.36Å; F258-L280 HydrophobicContact CD2-CB 3.58Å; F258-L280 HydrophobicContact CD2-CD2 4.5Å; F258-L280 HydrophobicContact CD2-CG 4.49Å; F258-L280 HydrophobicContact CE1-CD2 4.44Å; F258-L280 HydrophobicContact CE2-CB 3.75Å; F258-L280 HydrophobicContact CG-CB 4.17Å; F258-L280 HydrophobicContact CG-CD2 4.39Å; F258-L280 HydrophobicContact CZ-CB 4.46Å; L261-L280 HydrophobicContact CD2-CD1 3.63Å; L261-L280 HydrophobicContact CD2-CD2 3.92Å; L261-L280 HydrophobicContact CD2-CG 4.46Å; L270-L280 HydrophobicContact CD2-CD2 4.34Å; L270-L280 HydrophobicContact CG-CD2 4.2Å; L280-R282 HydrophobicContact CD1-CB 4.26Å; L280-R282 HydrophobicContact CD1-CG 4.32Å; L280-I293 CarbonylContact O-C 3.57Å; L280-I293 WeakPolarHBondContact O-CA 3.44Å; L280-S294 PolarHBondContact N-O 3.46Å; L280-S294 PolarHBondContact O-N 3.09Å; L280-L350 HydrophobicContact CB-CB 4.46Å; L280-L350 HydrophobicContact CD2-CD2 3.82Å |
| 281 | I | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.3 | 174.4 | -58.2 | -176.9 | 0 | 0 | 0 | 108.4 | W256 Y257 F258 L291 S292 I293 I306 I323 I327 | W256-I281 HydrophobicContact CD2-CD1 4.2Å; W256-I281 HydrophobicContact CE3-CB 3.74Å; W256-I281 HydrophobicContact CE3-CD1 3.66Å; W256-I281 HydrophobicContact CE3-CG1 3.96Å; W256-I281 HydrophobicContact CE3-CG2 4.39Å; W256-I281 HydrophobicContact CZ3-CB 4.08Å; W256-I281 HydrophobicContact CZ3-CD1 3.92Å; W256-I281 HydrophobicContact CZ3-CG1 4.47Å; W256-I281 HydrophobicContact CZ3-CG2 4.23Å; W256-I281 PolarHBondContact O-N 3.04Å; Y257-I281 WeakPolarHBondContact CA-O 3.36Å; F258-I281 PolarHBondContact N-O 3.35Å; I281-L291 HydrophobicContact CG2-CB 4Å; I281-L291 HydrophobicContact CG2-CD1 4.08Å; I281-L291 HydrophobicContact CG2-CG 4.43Å; I281-S292 WeakPolarHBondContact CA-O 3.25Å; I281-I293 HydrophobicContact CD1-CD1 4.29Å; I281-I293 HydrophobicContact CG1-CB 4.1Å; I281-I293 HydrophobicContact CG1-CD1 4.12Å; I281-I293 HydrophobicContact CG1-CG1 3.98Å; I281-I306 HydrophobicContact CD1-CD1 4.26Å; I281-I306 HydrophobicContact CG2-CD1 4.32Å; I281-I323 HydrophobicContact CD1-CD1 4.02Å; I281-I323 HydrophobicContact CD1-CG1 4.29Å; I281-I327 HydrophobicContact CD1-CD1 3.81Å; I281-I327 HydrophobicContact CD1-CG1 4.11Å |
| 282 | R | 95.2 | Very high | 91.8 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 166.9 | -177.1 | 62.7 | -167.4 | -174.9 | 85.7 | 3.1 | 110.5 | G259 L261 R263 S266 L280 E285 L291 S292 S294 | G259-R282 WeakPolarHBondContact O-CA 3.31Å; L261-R282 HydrophobicContact CB-CB 3.73Å; L261-R282 HydrophobicContact CB-CG 4.49Å; L261-R282 HydrophobicContact CD2-CB 4.43Å; L261-R282 VanDerWaalsContact O-CD 3.32Å; L261-R282 WeakPolarHBondContact O-CD 3.22Å; L261-R282 PolarHBondContact O-NH1 2.86Å; R263-R282 VanDerWaalsContact CA-CZ 3.49Å; R263-R282 VanDerWaalsContact CB-NH2 3.31Å; R263-R282 VanDerWaalsContact N-NH1 3.18Å; S266-R282 PolarHBondContact OG-NE 2.95Å; L280-R282 HydrophobicContact CD1-CB 4.26Å; L280-R282 HydrophobicContact CD1-CG 4.32Å; R282-E285 IonicContact CZ-OE2 3.45Å; R282-E285 IonicContact NH1-OE2 3.6Å; R282-E285 PolarHBondContact NH1-OE2 2.92Å; R282-E285 IonicContact NH2-OE2 2.72Å; R282-L291 CarbonylContact O-C 3.58Å; R282-L291 WeakPolarHBondContact O-CA 3.32Å; R282-S292 PolarHBondContact N-O 2.99Å; R282-S292 PolarHBondContact O-N 3.18Å; R282-S294 PolarHBondContact NE-OG 3.43Å |
| 283 | D | 91.8 | Very high | 92 | Very high | 18 Ų | 18 | 32.7 Ų | 32.7 | 10% | 0.096 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 138.3 | 169.1 | -67.7 | 6.7 | 0 | 0 | 0 | 110.4 | S246 Y257 G259 E285 | S246-D283 VanDerWaalsContact CB-OD2 3.28Å; S246-D283 WeakPolarHBondContact CB-OD2 3.26Å; S246-D283 PolarHBondContact N-OD2 3.02Å; S246-D283 PolarHBondContact OG-OD1 3.01Å; S246-D283 PolarHBondContact OG-OD2 3.47Å; Y257-D283 PolarHBondContact OH-OD1 3.49Å; G259-D283 PolarHBondContact O-N 3.41Å; D283-E285 PolarHBondContact O-N 3.11Å |
| 284 | S | 92.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | trans | -73.6 | 125.1 | 176.5 | -178.7 | 0 | 0 | 0 | 0 | 111 | N287 D290 | S284-N287 WeakPolarHBondContact CB-O 3.16Å; S284-N287 PolarHBondContact OG-N 2.96Å; S284-N287 VanDerWaalsContact OG-N 3.17Å; S284-D290 VanDerWaalsContact CB-O 3.23Å; S284-D290 WeakPolarHBondContact CB-O 3.27Å; S284-D290 PolarHBondContact N-O 3.5Å | ||
| 285 | E | 89.4 | Confident | 92.5 | Very high | 98 Ų | 98 | 30.8 Ų | 30.8 | 46% | 0.458 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -74.1 | -37.1 | 174.6 | -71.3 | 165.9 | 111.7 | 0 | 0 | 112.4 | T262 R263 R282 D283 | T262-E285 VanDerWaalsContact CA-CD 3.49Å; T262-E285 VanDerWaalsContact CA-OE1 3.27Å; T262-E285 WeakPolarHBondContact CA-OE1 3.45Å; T262-E285 WeakPolarHBondContact CB-OE1 3.26Å; T262-E285 WeakPolarHBondContact CG2-OE1 2.9Å; R263-E285 WeakPolarHBondContact CA-OE2 3.37Å; R263-E285 VanDerWaalsContact CB-OE2 3.23Å; R263-E285 WeakPolarHBondContact CB-OE2 3.32Å; R263-E285 VanDerWaalsContact N-CD 3.33Å; R263-E285 PolarHBondContact N-OE1 2.99Å; R263-E285 PolarHBondContact N-OE2 3.47Å; R282-E285 IonicContact CZ-OE2 3.45Å; R282-E285 IonicContact NH1-OE2 3.6Å; R282-E285 PolarHBondContact NH1-OE2 2.92Å; R282-E285 IonicContact NH2-OE2 2.72Å; D283-E285 PolarHBondContact O-N 3.11Å |
| 286 | S | 89.5 | Confident | 92.6 | Very high | 106 Ų | 106 | 26.1 Ų | 26.1 | 74% | 0.741 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -78.2 | -29.7 | -177 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 287 | N | 87.4 | Confident | 92.7 | Very high | 62 Ų | 62 | 22.2 Ų | 22.2 | 33% | 0.332 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -132.9 | 86.1 | -174.2 | -64.6 | 80.6 | 0 | 0 | 0 | 109.7 | S284 G289 D290 | S284-N287 WeakPolarHBondContact CB-O 3.16Å; S284-N287 PolarHBondContact OG-N 2.96Å; S284-N287 VanDerWaalsContact OG-N 3.17Å; N287-G289 PolarHBondContact O-N 2.84Å; N287-D290 HydrophobicContact CB-CB 4.01Å; N287-D290 WeakPolarHBondContact CB-OD2 3.13Å; N287-D290 WeakPolarHBondContact O-CB 3.09Å; N287-D290 PolarHBondContact O-N 3.21Å |
| 288 | P | 82.2 | Confident | 92.6 | Very high | 79 Ų | 79 | 25.5 Ų | 25.5 | 51% | 0.513 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 131.2 | 179.9 | -24.3 | 34.3 | 0 | 0 | 0 | 112.1 | L69 | L69-P288 HydrophobicContact CD1-CB 4.38Å; L69-P288 HydrophobicContact CD2-CB 3.21Å; L69-P288 HydrophobicContact CD2-CG 3.65Å; L69-P288 HydrophobicContact CG-CB 4.35Å |
| 289 | G | 80 | Confident | 92.2 | Very high | 12 Ų | 12 | 29.6 Ų | 29.6 | 12% | 0.124 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95 | -7.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114 | W61 N287 | W61-G289 VanDerWaalsContact CH2-O 3.32Å; W61-G289 WeakPolarHBondContact CH2-O 3.32Å; W61-G289 WeakPolarHBondContact CZ3-O 3.43Å; N287-G289 PolarHBondContact O-N 2.84Å |
| 290 | D | 92.1 | Very high | 92 | Very high | 19 Ų | 19 | 35.8 Ų | 35.8 | 10% | 0.102 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -106.2 | 171.1 | 168.7 | -68.7 | -37.5 | 0 | 0 | 0 | 111 | S284 N287 W305 I306 V308 | S284-D290 VanDerWaalsContact CB-O 3.23Å; S284-D290 WeakPolarHBondContact CB-O 3.27Å; S284-D290 PolarHBondContact N-O 3.5Å; N287-D290 HydrophobicContact CB-CB 4.01Å; N287-D290 WeakPolarHBondContact CB-OD2 3.13Å; N287-D290 WeakPolarHBondContact O-CB 3.09Å; N287-D290 PolarHBondContact O-N 3.21Å; D290-W305 VanDerWaalsContact CG-NE1 3.28Å; D290-W305 VanDerWaalsContact OD2-CE2 3.31Å; D290-W305 WeakPolarHBondContact OD2-CZ2 3.38Å; D290-W305 PolarHBondContact OD2-NE1 3.5Å; D290-I306 WeakPolarHBondContact CB-O 3.17Å; D290-V308 PolarHBondContact OD1-N 3.47Å |
| 291 | L | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 166.8 | 176.3 | -61 | 173.5 | 0 | 0 | 0 | 110.7 | W61 Y251 Y257 I281 R282 I306 V308 F313 I323 | W61-L291 HydrophobicContact CH2-CD1 4.32Å; W61-L291 HydrophobicContact CH2-CG 4.06Å; Y251-L291 HydrophobicContact CE2-CD1 4.1Å; Y257-L291 HydrophobicContact CE2-CD2 4.19Å; I281-L291 HydrophobicContact CG2-CB 4Å; I281-L291 HydrophobicContact CG2-CD1 4.08Å; I281-L291 HydrophobicContact CG2-CG 4.43Å; R282-L291 CarbonylContact O-C 3.58Å; R282-L291 WeakPolarHBondContact O-CA 3.32Å; L291-I306 HydrophobicContact CB-CB 4.08Å; L291-I306 HydrophobicContact CB-CD1 4.22Å; L291-I306 PolarHBondContact N-O 3.36Å; L291-I306 VanDerWaalsContact N-O 3.09Å; L291-I306 PolarHBondContact O-N 2.89Å; L291-V308 HydrophobicContact CD1-CG2 4.49Å; L291-V308 HydrophobicContact CG-CG2 4.33Å; L291-F313 HydrophobicContact CD1-CE1 4.47Å; L291-I323 HydrophobicContact CD1-CD1 3.62Å |
| 292 | S | 96.9 | Very high | 91.8 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 133.8 | 171 | -70.9 | 0 | 0 | 0 | 0 | 109 | I281 R282 F304 | I281-S292 WeakPolarHBondContact CA-O 3.25Å; R282-S292 PolarHBondContact N-O 2.99Å; R282-S292 PolarHBondContact O-N 3.18Å; S292-F304 CarbonylContact C-O 3.43Å; S292-F304 WeakPolarHBondContact CA-O 3.18Å |
| 293 | I | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.3 | 170.8 | -174.2 | 165.1 | 0 | 0 | 0 | 109.1 | Y279 L280 I281 H303 F304 I306 I315 I335 L346 | Y279-I293 HydrophobicContact CD2-CD1 3.83Å; Y279-I293 HydrophobicContact CD2-CG1 4.27Å; Y279-I293 HydrophobicContact CG-CD1 4.3Å; L280-I293 CarbonylContact O-C 3.57Å; L280-I293 WeakPolarHBondContact O-CA 3.44Å; I281-I293 HydrophobicContact CD1-CD1 4.29Å; I281-I293 HydrophobicContact CG1-CB 4.1Å; I281-I293 HydrophobicContact CG1-CD1 4.12Å; I281-I293 HydrophobicContact CG1-CG1 3.98Å; I293-H303 CarbonylContact O-C 3.57Å; I293-H303 VanDerWaalsContact O-CA 3.29Å; I293-H303 WeakPolarHBondContact O-CA 3.3Å; I293-F304 HydrophobicContact CG2-CB 3.67Å; I293-F304 HydrophobicContact CG2-CD2 4.11Å; I293-F304 HydrophobicContact CG2-CG 4.36Å; I293-F304 PolarHBondContact N-O 3.08Å; I293-F304 PolarHBondContact O-N 3.14Å; I293-I306 HydrophobicContact CB-CD1 3.94Å; I293-I306 HydrophobicContact CG2-CD1 4.11Å; I293-I306 HydrophobicContact CG2-CG1 4.18Å; I293-I315 HydrophobicContact CG2-CD1 4.24Å; I293-I335 HydrophobicContact CG2-CD1 4.12Å; I293-L346 HydrophobicContact CD1-CD1 3.45Å; I293-L346 VanDerWaalsContact CD1-CD1 3.45Å; I293-L346 HydrophobicContact CD1-CD2 3.52Å; I293-L346 HydrophobicContact CD1-CG 4.13Å; I293-L346 HydrophobicContact CG1-CD2 4.33Å |
| 294 | S | 97.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.3 | 174.1 | -61 | 0 | 0 | 0 | 0 | 108.3 | S266 Y279 L280 R282 K302 H303 | S266-S294 WeakPolarHBondContact CB-OG 3.35Å; S266-S294 PolarHBondContact OG-OG 2.83Å; Y279-S294 CarbonylContact C-O 3.53Å; Y279-S294 VanDerWaalsContact CA-O 3.23Å; Y279-S294 WeakPolarHBondContact CA-O 3.46Å; Y279-S294 WeakPolarHBondContact CB-O 3.26Å; L280-S294 PolarHBondContact N-O 3.46Å; L280-S294 PolarHBondContact O-N 3.09Å; R282-S294 PolarHBondContact NE-OG 3.43Å; S294-K302 CarbonylContact C-O 3.57Å; S294-K302 WeakPolarHBondContact CA-O 3.24Å; S294-H303 WeakPolarHBondContact CB-ND1 3.28Å; S294-H303 PolarHBondContact OG-CE1 3.29Å; S294-H303 PolarHBondContact OG-ND1 2.95Å |
| 295 | L | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 128.2 | -174.1 | 173.7 | 63.3 | 0 | 0 | 0 | 110.3 | G277 D278 A297 N301 K302 F304 I335 L344 L346 | G277-L295 WeakPolarHBondContact O-CD1 3.31Å; D278-L295 WeakPolarHBondContact O-CD1 3.42Å; L295-A297 PolarHBondContact O-N 2.85Å; L295-N301 CarbonylContact O-C 3.58Å; L295-N301 VanDerWaalsContact O-CA 3.25Å; L295-N301 WeakPolarHBondContact O-CA 3.49Å; L295-N301 WeakPolarHBondContact O-CB 3.16Å; L295-K302 PolarHBondContact N-O 3.11Å; L295-K302 PolarHBondContact O-N 3.08Å; L295-F304 HydrophobicContact CD2-CE2 4.37Å; L295-I335 HydrophobicContact CD2-CG2 3.66Å; L295-L344 HydrophobicContact CD2-CB 3.87Å; L295-L346 HydrophobicContact CD1-CD2 4Å; L295-L346 HydrophobicContact CD2-CD2 4.3Å |
| 296 | K | 96 | Very high | 92.5 | Very high | 30 Ų | 30 | 42.4 Ų | 42.4 | 13% | 0.13 | 23% | 0.231 | C | C | . | . | trans | -70.2 | 123.5 | 170.5 | -178.6 | 59.6 | 173.4 | 76.7 | 0 | 109.1 | L270 H275 D276 G277 D278 N301 | L270-K296 HydrophobicContact CB-CB 4.3Å; L270-K296 HydrophobicContact CB-CD 4.28Å; L270-K296 HydrophobicContact CD2-CB 4.01Å; L270-K296 WeakPolarHBondContact O-CD 3.45Å; H275-K296 VanDerWaalsContact C-CG 3.46Å; H275-K296 VanDerWaalsContact O-CB 3.25Å; H275-K296 WeakPolarHBondContact O-CB 3.44Å; H275-K296 WeakPolarHBondContact O-CG 3.43Å; D276-K296 IonicContact OD1-NZ 3.61Å; D276-K296 PolarHBondContact OD1-NZ 2.69Å; G277-K296 PolarHBondContact N-O 2.89Å; D278-K296 HydrophobicContact CB-CB 4.36Å; D278-K296 WeakPolarHBondContact O-CB 3.41Å; D278-K296 PolarHBondContact O-N 2.83Å; K296-N301 WeakPolarHBondContact CD-OD1 3.35Å | ||
| 297 | A | 92.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | trans | -124 | 159.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | D276 L295 S299 K300 K302 L344 | D276-A297 VanDerWaalsContact OD1-C 3.29Å; L295-A297 PolarHBondContact O-N 2.85Å; A297-S299 VanDerWaalsContact C-N 3.28Å; A297-S299 PolarHBondContact O-N 3.02Å; A297-K300 WeakPolarHBondContact CB-O 3.37Å; A297-K302 HydrophobicContact CB-CG 4.44Å; A297-L344 HydrophobicContact CB-CD1 3.88Å; A297-L344 HydrophobicContact CB-CD2 3.85Å | ||
| 298 | P | 88.8 | Confident | 92.7 | Very high | 78 Ų | 78 | 36.8 Ų | 36.8 | 51% | 0.506 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -58.2 | -38.4 | -175.7 | -24 | 30.2 | 0 | 0 | 0 | 113.6 | D276 | D276-P298 HydrophobicContact CB-CG 4.34Å; D276-P298 WeakPolarHBondContact OD1-CA 3.49Å; D276-P298 WeakPolarHBondContact OD2-CA 3.2Å; D276-P298 WeakPolarHBondContact OD2-CB 3.5Å; D276-P298 WeakPolarHBondContact OD2-CG 3.38Å |
| 299 | S | 86.4 | Confident | 92.8 | Very high | 89 Ų | 89 | 34.4 Ų | 34.4 | 62% | 0.622 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -97.1 | -57.9 | -177.4 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | A297 | A297-S299 VanDerWaalsContact C-N 3.28Å; A297-S299 PolarHBondContact O-N 3.02Å |
| 300 | K | 91.8 | Very high | 92.4 | Very high | 133 Ų | 133 | 36 Ų | 36 | 58% | 0.578 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -149.8 | 129.6 | -176.4 | -178.3 | 176.1 | -177.6 | 171.6 | 0 | 110.6 | A297 K302 | A297-K300 WeakPolarHBondContact CB-O 3.37Å; K300-K302 PolarHBondContact O-N 3.21Å |
| 301 | N | 95.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | trans | -56.4 | 141.1 | 179.9 | -52.2 | -15.4 | 0 | 0 | 0 | 110.9 | Q267 L270 D271 L295 K296 | Q267-N301 PolarHBondContact NE2-ND2 2.88Å; Q267-N301 PolarHBondContact O-ND2 2.88Å; L270-N301 VanDerWaalsContact CB-ND2 3.34Å; L270-N301 WeakPolarHBondContact CB-ND2 3.46Å; L270-N301 HydrophobicContact CD1-CB 4.3Å; D271-N301 PolarHBondContact OD1-ND2 2.74Å; L295-N301 CarbonylContact O-C 3.58Å; L295-N301 VanDerWaalsContact O-CA 3.25Å; L295-N301 WeakPolarHBondContact O-CA 3.49Å; L295-N301 WeakPolarHBondContact O-CB 3.16Å; K296-N301 WeakPolarHBondContact CD-OD1 3.35Å | ||
| 302 | K | 95.3 | Very high | 91.3 | Very high | 82 Ų | 82 | 42.6 Ų | 42.6 | 36% | 0.357 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 147 | -177.5 | -60.4 | -65 | -177.3 | 171.3 | 0 | 108.9 | S294 L295 A297 K300 F304 L344 | S294-K302 CarbonylContact C-O 3.57Å; S294-K302 WeakPolarHBondContact CA-O 3.24Å; L295-K302 PolarHBondContact N-O 3.11Å; L295-K302 PolarHBondContact O-N 3.08Å; A297-K302 HydrophobicContact CB-CG 4.44Å; K300-K302 PolarHBondContact O-N 3.21Å; K302-F304 HydrophobicContact CB-CD2 4.4Å; K302-F304 HydrophobicContact CB-CE2 3.5Å; K302-F304 HydrophobicContact CB-CZ 3.72Å; K302-F304 HydrophobicContact CG-CZ 4.34Å; K302-L344 HydrophobicContact CG-CD1 3.66Å |
| 303 | H | 96.2 | Very high | 91 | Very high | 34 Ų | 34 | 42.9 Ų | 42.9 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.1 | 176.3 | -51.7 | -91.4 | 0 | 0 | 0 | 108.2 | R263 S266 I293 S294 | R263-H303 PolarHBondContact NE-CD2 3.07Å; R263-H303 PolarHBondContact NH2-CD2 3.26Å; S266-H303 PolarHBondContact OG-CE1 3.09Å; S266-H303 VanDerWaalsContact OG-CE1 3.31Å; I293-H303 CarbonylContact O-C 3.57Å; I293-H303 VanDerWaalsContact O-CA 3.29Å; I293-H303 WeakPolarHBondContact O-CA 3.3Å; S294-H303 WeakPolarHBondContact CB-ND1 3.28Å; S294-H303 PolarHBondContact OG-CE1 3.29Å; S294-H303 PolarHBondContact OG-ND1 2.95Å |
| 304 | F | 96.4 | Very high | 90.9 | Very high | 41 Ų | 41 | 45.2 Ų | 45.2 | 18% | 0.18 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.4 | 179 | -51.6 | -92 | 0 | 0 | 0 | 108.8 | S292 I293 L295 K302 I315 I335 | S292-F304 CarbonylContact C-O 3.43Å; S292-F304 WeakPolarHBondContact CA-O 3.18Å; I293-F304 HydrophobicContact CG2-CB 3.67Å; I293-F304 HydrophobicContact CG2-CD2 4.11Å; I293-F304 HydrophobicContact CG2-CG 4.36Å; I293-F304 PolarHBondContact N-O 3.08Å; I293-F304 PolarHBondContact O-N 3.14Å; L295-F304 HydrophobicContact CD2-CE2 4.37Å; K302-F304 HydrophobicContact CB-CD2 4.4Å; K302-F304 HydrophobicContact CB-CE2 3.5Å; K302-F304 HydrophobicContact CB-CZ 3.72Å; K302-F304 HydrophobicContact CG-CZ 4.34Å; F304-I315 HydrophobicContact CB-CG2 4.42Å; F304-I335 HydrophobicContact CB-CD1 4.14Å; F304-I335 HydrophobicContact CD1-CD1 4.24Å; F304-I335 HydrophobicContact CD1-CG1 4.06Å; F304-I335 HydrophobicContact CD2-CD1 3.44Å; F304-I335 VanDerWaalsContact CD2-CD1 3.44Å; F304-I335 HydrophobicContact CD2-CG1 3.95Å; F304-I335 HydrophobicContact CD2-CG2 4.43Å; F304-I335 HydrophobicContact CE1-CG1 4.03Å; F304-I335 HydrophobicContact CE2-CB 4.44Å; F304-I335 HydrophobicContact CE2-CD1 3.8Å; F304-I335 HydrophobicContact CE2-CG1 3.91Å; F304-I335 HydrophobicContact CE2-CG2 3.67Å; F304-I335 HydrophobicContact CG-CD1 3.68Å; F304-I335 HydrophobicContact CG-CG1 4.02Å; F304-I335 HydrophobicContact CZ-CB 4.43Å; F304-I335 HydrophobicContact CZ-CD1 4.35Å; F304-I335 HydrophobicContact CZ-CG1 3.96Å; F304-I335 HydrophobicContact CZ-CG2 3.76Å |
| 305 | W | 95 | Very high | 90.7 | Very high | 111 Ų | 111 | 46 Ų | 46 | 42% | 0.42 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 128.2 | 173.2 | 168.4 | 48.5 | 0 | 0 | 0 | 109.1 | D290 Q307 | D290-W305 VanDerWaalsContact CG-NE1 3.28Å; D290-W305 VanDerWaalsContact OD2-CE2 3.31Å; D290-W305 WeakPolarHBondContact OD2-CZ2 3.38Å; D290-W305 PolarHBondContact OD2-NE1 3.5Å; W305-Q307 HydrophobicContact CH2-CB 3.92Å; W305-Q307 HydrophobicContact CH2-CG 4.28Å; W305-Q307 HydrophobicContact CZ2-CB 3.58Å; W305-Q307 HydrophobicContact CZ2-CG 3.96Å |
| 306 | I | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 99.5 | 170.6 | -56.2 | 168.3 | 0 | 0 | 0 | 105.5 | I281 D290 L291 I293 V308 F313 R314 I315 L326 | I281-I306 HydrophobicContact CD1-CD1 4.26Å; I281-I306 HydrophobicContact CG2-CD1 4.32Å; D290-I306 WeakPolarHBondContact CB-O 3.17Å; L291-I306 HydrophobicContact CB-CB 4.08Å; L291-I306 HydrophobicContact CB-CD1 4.22Å; L291-I306 PolarHBondContact N-O 3.36Å; L291-I306 VanDerWaalsContact N-O 3.09Å; L291-I306 PolarHBondContact O-N 2.89Å; I293-I306 HydrophobicContact CB-CD1 3.94Å; I293-I306 HydrophobicContact CG2-CD1 4.11Å; I293-I306 HydrophobicContact CG2-CG1 4.18Å; I306-V308 HydrophobicContact CG2-CG2 4.02Å; I306-V308 WeakPolarHBondContact O-CG2 3.36Å; I306-V308 PolarHBondContact O-N 2.97Å; I306-F313 HydrophobicContact CG2-CB 4.17Å; I306-F313 HydrophobicContact CG2-CD1 4.11Å; I306-R314 CarbonylContact C-O 3.57Å; I306-R314 WeakPolarHBondContact CA-O 3.28Å; I306-I315 HydrophobicContact CB-CG1 4.36Å; I306-I315 HydrophobicContact CG1-CD1 3.83Å; I306-I315 HydrophobicContact CG1-CG1 3.81Å; I306-L326 HydrophobicContact CD1-CD2 4.49Å; I306-L326 HydrophobicContact CG2-CD1 3.84Å |
| 307 | Q | 93.4 | Very high | 90.1 | Very high | 50 Ų | 50 | 55.2 Ų | 55.2 | 23% | 0.234 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 128.5 | 166.2 | 176.3 | 176.3 | 1.2 | 0 | 0 | 106.3 | W305 D309 R314 | W305-Q307 HydrophobicContact CH2-CB 3.92Å; W305-Q307 HydrophobicContact CH2-CG 4.28Å; W305-Q307 HydrophobicContact CZ2-CB 3.58Å; W305-Q307 HydrophobicContact CZ2-CG 3.96Å; Q307-D309 PolarHBondContact NE2-OD1 3.35Å; Q307-D309 PolarHBondContact NE2-OD2 2.85Å; Q307-R314 HydrophobicContact CB-CB 4.28Å; Q307-R314 PolarHBondContact N-O 3.27Å; Q307-R314 PolarHBondContact O-N 2.87Å |
| 308 | V | 88.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 145.5 | 168.9 | -158.1 | 0 | 0 | 0 | 0 | 109.1 | W61 K62 D290 L291 I306 G312 F313 | W61-V308 HydrophobicContact CD2-CG1 4.35Å; W61-V308 VanDerWaalsContact CE2-CB 3.49Å; W61-V308 HydrophobicContact CH2-CB 3.35Å; W61-V308 HydrophobicContact CH2-CG1 3.89Å; W61-V308 HydrophobicContact CH2-CG2 3.26Å; W61-V308 HydrophobicContact CZ2-CB 2.93Å; W61-V308 HydrophobicContact CZ2-CG1 2.92Å; W61-V308 HydrophobicContact CZ2-CG2 3.13Å; W61-V308 HydrophobicContact CZ3-CB 4.34Å; K62-V308 VanDerWaalsContact CE-C 3.43Å; K62-V308 WeakPolarHBondContact CE-O 3.46Å; K62-V308 PolarHBondContact NZ-O 2.84Å; D290-V308 PolarHBondContact OD1-N 3.47Å; L291-V308 HydrophobicContact CD1-CG2 4.49Å; L291-V308 HydrophobicContact CG-CG2 4.33Å; I306-V308 HydrophobicContact CG2-CG2 4.02Å; I306-V308 WeakPolarHBondContact O-CG2 3.36Å; I306-V308 PolarHBondContact O-N 2.97Å; V308-G312 VanDerWaalsContact CG1-O 3.24Å; V308-G312 WeakPolarHBondContact CG1-O 3.27Å; V308-F313 HydrophobicContact CB-CD1 4.14Å; V308-F313 HydrophobicContact CB-CE1 4.36Å; V308-F313 HydrophobicContact CG1-CD1 3.45Å; V308-F313 VanDerWaalsContact CG1-CD1 3.45Å; V308-F313 HydrophobicContact CG1-CD2 4.45Å; V308-F313 HydrophobicContact CG1-CE1 3.54Å; V308-F313 HydrophobicContact CG1-CE2 4.47Å; V308-F313 HydrophobicContact CG1-CG 3.94Å; V308-F313 HydrophobicContact CG1-CZ 4.04Å; V308-F313 HydrophobicContact CG2-CD1 3.66Å; V308-F313 HydrophobicContact CG2-CE1 3.99Å |
| 309 | D | 84.3 | Confident | 90.2 | Very high | 29 Ų | 29 | 66 Ų | 66 | 16% | 0.155 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 171.4 | -174.6 | -75.2 | -35 | 0 | 0 | 0 | 109.9 | K62 Q307 D311 G312 R314 | K62-D309 IonicContact NZ-OD1 3.99Å; K62-D309 PolarHBondContact NZ-OD1 2.87Å; Q307-D309 PolarHBondContact NE2-OD1 3.35Å; Q307-D309 PolarHBondContact NE2-OD2 2.85Å; D309-D311 VanDerWaalsContact C-N 3.25Å; D309-G312 CarbonylContact C-O 3.37Å; D309-G312 WeakPolarHBondContact CA-O 3.46Å; D309-G312 PolarHBondContact N-O 2.77Å; D309-R314 IonicContact OD2-CZ 3.03Å; D309-R314 IonicContact OD2-NE 3Å; D309-R314 IonicContact OD2-NH2 2.75Å; D309-R314 PolarHBondContact OD2-NH2 2.89Å |
| 310 | A | 72 | Confident | 90.4 | Very high | 45 Ų | 45 | 62.4 Ų | 62.4 | 37% | 0.372 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -43.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | N60 G312 | N60-A310 HydrophobicContact CB-CB 4.16Å; N60-A310 WeakPolarHBondContact ND2-CA 3.19Å; N60-A310 VanDerWaalsContact ND2-CB 3.25Å; N60-A310 WeakPolarHBondContact ND2-CB 3.26Å; N60-A310 PolarHBondContact ND2-O 3.08Å; N60-A310 VanDerWaalsContact OD1-CA 3.24Å; N60-A310 WeakPolarHBondContact OD1-CA 3.32Å; N60-A310 PolarHBondContact OD1-O 2.9Å; A310-G312 VanDerWaalsContact C-N 3.3Å; A310-G312 PolarHBondContact O-N 3.11Å |
| 311 | D | 77.7 | Confident | 90.1 | Very high | 151 Ų | 151 | 61 Ų | 61 | 81% | 0.807 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 22.5 | -173.4 | -44.8 | -55.4 | 0 | 0 | 0 | 112.4 | D309 | D309-D311 VanDerWaalsContact C-N 3.25Š|
| 312 | G | 84.4 | Confident | 89.7 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 131.2 | -154.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V308 D309 A310 F320 | V308-G312 VanDerWaalsContact CG1-O 3.24Å; V308-G312 WeakPolarHBondContact CG1-O 3.27Å; D309-G312 CarbonylContact C-O 3.37Å; D309-G312 WeakPolarHBondContact CA-O 3.46Å; D309-G312 PolarHBondContact N-O 2.77Å; A310-G312 VanDerWaalsContact C-N 3.3Å; A310-G312 PolarHBondContact O-N 3.11Å; G312-F320 CarbonylContact C-O 3.44Å; G312-F320 VanDerWaalsContact CA-O 3.29Å; G312-F320 WeakPolarHBondContact CA-O 3.44Å |
| 313 | F | 92 | Very high | 89.4 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 151.1 | -167.7 | -57.6 | -103 | 0 | 0 | 0 | 111.3 | W61 Y251 L291 I306 V308 R319 F320 S322 I323 L326 | W61-F313 HydrophobicContact CZ2-CD1 4.5Å; W61-F313 AromaticContact CZ2-CE1 3.77Å; W61-F313 HydrophobicContact CZ2-CE1 3.77Å; W61-F313 HydrophobicContact CZ2-CZ 4.33Å; Y251-F313 VanDerWaalsContact OH-CZ 3.29Å; Y251-F313 WeakPolarHBondContact OH-CZ 3.45Å; L291-F313 HydrophobicContact CD1-CE1 4.47Å; I306-F313 HydrophobicContact CG2-CB 4.17Å; I306-F313 HydrophobicContact CG2-CD1 4.11Å; V308-F313 HydrophobicContact CB-CD1 4.14Å; V308-F313 HydrophobicContact CB-CE1 4.36Å; V308-F313 HydrophobicContact CG1-CD1 3.45Å; V308-F313 VanDerWaalsContact CG1-CD1 3.45Å; V308-F313 HydrophobicContact CG1-CD2 4.45Å; V308-F313 HydrophobicContact CG1-CE1 3.54Å; V308-F313 HydrophobicContact CG1-CE2 4.47Å; V308-F313 HydrophobicContact CG1-CG 3.94Å; V308-F313 HydrophobicContact CG1-CZ 4.04Å; V308-F313 HydrophobicContact CG2-CD1 3.66Å; V308-F313 HydrophobicContact CG2-CE1 3.99Å; F313-R319 CarbonylContact O-C 3.59Å; F313-R319 WeakPolarHBondContact O-CA 3.25Å; F313-F320 PolarHBondContact N-O 3.33Å; F313-F320 PolarHBondContact O-N 3.12Å; F313-S322 VanDerWaalsContact CD2-C 3.4Å; F313-I323 HydrophobicContact CD1-CB 4.17Å; F313-I323 HydrophobicContact CD1-CD1 4.37Å; F313-I323 HydrophobicContact CD1-CG1 4.48Å; F313-I323 HydrophobicContact CD2-CB 4.42Å; F313-I323 HydrophobicContact CE1-CB 3.88Å; F313-I323 HydrophobicContact CE1-CD1 4.07Å; F313-I323 HydrophobicContact CE1-CG1 4.39Å; F313-I323 HydrophobicContact CE2-CB 4.2Å; F313-I323 HydrophobicContact CG-CB 4.44Å; F313-I323 HydrophobicContact CZ-CB 3.94Å; F313-L326 HydrophobicContact CB-CD1 3.81Å |
| 314 | R | 93.3 | Very high | 88.9 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 19% | 0.189 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 136.1 | -177.3 | -171.2 | -166.7 | -52.1 | -157.2 | 12.9 | 112.7 | I306 Q307 D309 G316 R318 R319 | I306-R314 CarbonylContact C-O 3.57Å; I306-R314 WeakPolarHBondContact CA-O 3.28Å; Q307-R314 HydrophobicContact CB-CB 4.28Å; Q307-R314 PolarHBondContact N-O 3.27Å; Q307-R314 PolarHBondContact O-N 2.87Å; D309-R314 IonicContact OD2-CZ 3.03Å; D309-R314 IonicContact OD2-NE 3Å; D309-R314 IonicContact OD2-NH2 2.75Å; D309-R314 PolarHBondContact OD2-NH2 2.89Å; R314-G316 WeakPolarHBondContact CD-O 3.35Å; R314-G316 WeakPolarHBondContact CG-O 3.39Å; R314-R318 VanDerWaalsContact CA-O 3.22Å; R314-R318 WeakPolarHBondContact CA-O 3.35Å; R314-R318 WeakPolarHBondContact CG-O 3.49Å; R314-R319 HydrophobicContact CB-CG 4.49Å; R314-R319 HydrophobicContact CG-CG 4.13Å; R314-R319 VanDerWaalsContact CZ-NE 3.28Å; R314-R319 VanDerWaalsContact NH2-NH2 3.16Å |
| 315 | I | 94.4 | Very high | 88.2 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 8% | 0.077 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 119.1 | 163.7 | -66.6 | 171.1 | 0 | 0 | 0 | 107.6 | I293 F304 I306 N317 R318 L326 Y330 I335 | I293-I315 HydrophobicContact CG2-CD1 4.24Å; F304-I315 HydrophobicContact CB-CG2 4.42Å; I306-I315 HydrophobicContact CB-CG1 4.36Å; I306-I315 HydrophobicContact CG1-CD1 3.83Å; I306-I315 HydrophobicContact CG1-CG1 3.81Å; I315-N317 PolarHBondContact O-N 3.01Å; I315-N317 VanDerWaalsContact O-N 3.14Å; I315-R318 PolarHBondContact N-O 2.87Å; I315-R318 VanDerWaalsContact N-O 3.15Å; I315-R318 PolarHBondContact O-N 3.35Å; I315-R318 VanDerWaalsContact O-N 3.11Å; I315-L326 HydrophobicContact CD1-CD1 3.94Å; I315-L326 HydrophobicContact CD1-CD2 3.85Å; I315-L326 HydrophobicContact CD1-CG 4.15Å; I315-L326 HydrophobicContact CG1-CD1 4.04Å; I315-Y330 HydrophobicContact CB-CE2 4.21Å; I315-Y330 HydrophobicContact CD1-CD2 4.18Å; I315-Y330 HydrophobicContact CD1-CE2 3.69Å; I315-Y330 HydrophobicContact CG1-CE2 4.44Å; I315-I335 HydrophobicContact CD1-CD1 4.11Å |
| 316 | G | 89.9 | Confident | 88.1 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 60% | 0.598 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | -115.9 | -175 | 0 | 0 | 0 | 0 | 0 | 111.6 | R314 | R314-G316 WeakPolarHBondContact CD-O 3.35Å; R314-G316 WeakPolarHBondContact CG-O 3.39Å |
| 317 | N | 89.5 | Confident | 87.8 | Confident | 166 Ų | 166 | 57.7 Ų | 57.7 | 89% | 0.888 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -4.7 | -178.4 | -65.8 | 14.5 | 0 | 0 | 0 | 113.5 | I315 | I315-N317 PolarHBondContact O-N 3.01Å; I315-N317 VanDerWaalsContact O-N 3.14Å |
| 318 | R | 91.9 | Very high | 87.1 | Confident | 128 Ų | 128 | 56.5 Ų | 56.5 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.2 | -177.6 | -67 | -177.2 | 177.8 | -85.6 | -7.6 | 110.3 | R314 I315 F320 H329 Y330 | R314-R318 VanDerWaalsContact CA-O 3.22Å; R314-R318 WeakPolarHBondContact CA-O 3.35Å; R314-R318 WeakPolarHBondContact CG-O 3.49Å; I315-R318 PolarHBondContact N-O 2.87Å; I315-R318 VanDerWaalsContact N-O 3.15Å; I315-R318 PolarHBondContact O-N 3.35Å; I315-R318 VanDerWaalsContact O-N 3.11Å; R318-F320 HydrophobicContact CB-CE2 3.78Å; R318-F320 HydrophobicContact CB-CZ 3.89Å; R318-H329 PolarHBondContact NH1-CE1 3.21Å; R318-H329 PolarHBondContact NH1-NE2 2.99Å; R318-Y330 WeakPolarHBondContact CD-OH 3.49Å |
| 319 | R | 92.5 | Very high | 86.9 | Confident | 179 Ų | 179 | 58.2 Ų | 58.2 | 68% | 0.675 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 147.2 | 176.1 | -61.7 | -176 | -175.4 | -165 | 1.9 | 109.8 | F313 R314 | F313-R319 CarbonylContact O-C 3.59Å; F313-R319 WeakPolarHBondContact O-CA 3.25Å; R314-R319 HydrophobicContact CB-CG 4.49Å; R314-R319 HydrophobicContact CG-CG 4.13Å; R314-R319 VanDerWaalsContact CZ-NE 3.28Å; R314-R319 VanDerWaalsContact NH2-NH2 3.16Å |
| 320 | F | 90.5 | Very high | 87.2 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 6% | 0.057 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 146.6 | -179 | -57 | -81.6 | 0 | 0 | 0 | 108.5 | G312 F313 R318 E325 L326 H329 Y330 | G312-F320 CarbonylContact C-O 3.44Å; G312-F320 VanDerWaalsContact CA-O 3.29Å; G312-F320 WeakPolarHBondContact CA-O 3.44Å; F313-F320 PolarHBondContact N-O 3.33Å; F313-F320 PolarHBondContact O-N 3.12Å; R318-F320 HydrophobicContact CB-CE2 3.78Å; R318-F320 HydrophobicContact CB-CZ 3.89Å; F320-E325 HydrophobicContact CB-CB 4.46Å; F320-E325 HydrophobicContact CD1-CG 4.09Å; F320-L326 HydrophobicContact CB-CB 3.93Å; F320-L326 HydrophobicContact CD1-CB 4.2Å; F320-L326 HydrophobicContact CD2-CB 3.64Å; F320-L326 HydrophobicContact CD2-CD1 3.71Å; F320-L326 HydrophobicContact CD2-CG 3.67Å; F320-L326 HydrophobicContact CE2-CB 4.17Å; F320-L326 HydrophobicContact CE2-CD1 4.12Å; F320-L326 HydrophobicContact CE2-CG 3.84Å; F320-L326 HydrophobicContact CG-CB 3.64Å; F320-L326 HydrophobicContact CG-CD1 4.48Å; F320-L326 HydrophobicContact CG-CG 4.21Å; F320-H329 HydrophobicContact CD1-CB 4.33Å; F320-H329 HydrophobicContact CE1-CB 3.45Å; F320-H329 VanDerWaalsContact CE1-CB 3.45Å; F320-H329 AromaticContact CE1-CD2 3.8Å; F320-H329 AromaticContact CE1-CG 3.49Å; F320-H329 VanDerWaalsContact CE1-CG 3.49Å; F320-H329 HydrophobicContact CZ-CB 4.02Å; F320-H329 AromaticContact CZ-CG 3.81Å; F320-H329 AromaticContact CZ-ND1 3.87Å; F320-Y330 AromaticContact CE2-CE2 3.72Å; F320-Y330 HydrophobicContact CE2-CE2 3.72Å; F320-Y330 HydrophobicContact CZ-CD2 4.35Å; F320-Y330 AromaticContact CZ-CE2 3.7Å; F320-Y330 HydrophobicContact CZ-CE2 3.7Å |
| 321 | T | 85.9 | Confident | 87.9 | Confident | 104 Ų | 104 | 56.3 Ų | 56.3 | 64% | 0.638 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -75.3 | -37 | 179.4 | 58.6 | 0 | 0 | 0 | 0 | 111.6 | E325 | T321-E325 PolarHBondContact N-OE2 3.33Å; T321-E325 PolarHBondContact OG1-OE2 3.46Å |
| 322 | S | 86 | Confident | 87.8 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -131.2 | 162.1 | 179.7 | 69.7 | 0 | 0 | 0 | 0 | 111.9 | F313 D324 E325 L326 | F313-S322 VanDerWaalsContact CD2-C 3.4Å; S322-D324 VanDerWaalsContact C-N 3.29Å; S322-E325 PolarHBondContact O-N 3.26Å; S322-E325 WeakPolarHBondContact OG-CB 3.48Å; S322-E325 PolarHBondContact OG-N 3.11Å; S322-E325 VanDerWaalsContact OG-N 3.16Å; S322-L326 PolarHBondContact O-N 2.86Å |
| 323 | I | 89.5 | Confident | 87.8 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.8 | -31.9 | 174.7 | -166 | 155 | 0 | 0 | 0 | 112 | Y251 W256 I281 L291 F313 L326 I327 | Y251-I323 HydrophobicContact CE1-CG2 3.8Å; Y251-I323 HydrophobicContact CE2-CD1 4.5Å; W256-I323 HydrophobicContact CH2-CD1 3.58Å; W256-I323 HydrophobicContact CH2-CG1 3.99Å; W256-I323 HydrophobicContact CH2-CG2 3.79Å; W256-I323 HydrophobicContact CZ2-CD1 4.45Å; W256-I323 HydrophobicContact CZ2-CG1 4.4Å; W256-I323 HydrophobicContact CZ2-CG2 3.85Å; W256-I323 HydrophobicContact CZ3-CD1 3.81Å; I281-I323 HydrophobicContact CD1-CD1 4.02Å; I281-I323 HydrophobicContact CD1-CG1 4.29Å; L291-I323 HydrophobicContact CD1-CD1 3.62Å; F313-I323 HydrophobicContact CD1-CB 4.17Å; F313-I323 HydrophobicContact CD1-CD1 4.37Å; F313-I323 HydrophobicContact CD1-CG1 4.48Å; F313-I323 HydrophobicContact CD2-CB 4.42Å; F313-I323 HydrophobicContact CE1-CB 3.88Å; F313-I323 HydrophobicContact CE1-CD1 4.07Å; F313-I323 HydrophobicContact CE1-CG1 4.39Å; F313-I323 HydrophobicContact CE2-CB 4.2Å; F313-I323 HydrophobicContact CG-CB 4.44Å; F313-I323 HydrophobicContact CZ-CB 3.94Å; I323-L326 WeakPolarHBondContact O-CB 3.37Å; I323-L326 PolarHBondContact O-N 3.33Å; I323-I327 HydrophobicContact CG1-CD1 4.16Å; I323-I327 VanDerWaalsContact O-CG1 3.29Å; I323-I327 WeakPolarHBondContact O-CG1 3.4Å; I323-I327 PolarHBondContact O-N 2.83Å |
| 324 | D | 84.3 | Confident | 87.7 | Confident | 68 Ų | 68 | 57.2 Ų | 57.2 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 175.8 | -67.3 | -65.2 | 0 | 0 | 0 | 111.1 | R254 S322 I327 G328 | R254-D324 IonicContact CZ-OD1 3.39Å; R254-D324 IonicContact CZ-OD2 2.8Å; R254-D324 IonicContact NH1-OD1 2.59Å; R254-D324 PolarHBondContact NH1-OD1 3.06Å; R254-D324 IonicContact NH1-OD2 3.55Å; R254-D324 PolarHBondContact NH1-OD2 3.05Å; R254-D324 IonicContact NH2-OD1 3.89Å; R254-D324 IonicContact NH2-OD2 3.56Å; R254-D324 PolarHBondContact NH2-OD2 2.91Å; S322-D324 VanDerWaalsContact C-N 3.29Å; D324-I327 PolarHBondContact O-N 3Å; D324-G328 PolarHBondContact O-N 2.98Å |
| 325 | E | 83.5 | Confident | 87.6 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 174.2 | -170.3 | -166.9 | 171.7 | 0 | 0 | 111.6 | F320 T321 S322 G328 H329 | F320-E325 HydrophobicContact CB-CB 4.46Å; F320-E325 HydrophobicContact CD1-CG 4.09Å; T321-E325 PolarHBondContact N-OE2 3.33Å; T321-E325 PolarHBondContact OG1-OE2 3.46Å; S322-E325 PolarHBondContact O-N 3.26Å; S322-E325 WeakPolarHBondContact OG-CB 3.48Å; S322-E325 PolarHBondContact OG-N 3.11Å; S322-E325 VanDerWaalsContact OG-N 3.16Å; E325-G328 PolarHBondContact O-N 3.25Å; E325-H329 VanDerWaalsContact O-CB 3.29Å; E325-H329 WeakPolarHBondContact O-CB 3.36Å; E325-H329 PolarHBondContact O-N 2.75Å |
| 326 | L | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.9 | -50.1 | 175.4 | 179.2 | 158.1 | 0 | 0 | 0 | 111.1 | I306 F313 I315 F320 S322 I323 H329 Y330 | I306-L326 HydrophobicContact CD1-CD2 4.49Å; I306-L326 HydrophobicContact CG2-CD1 3.84Å; F313-L326 HydrophobicContact CB-CD1 3.81Å; I315-L326 HydrophobicContact CD1-CD1 3.94Å; I315-L326 HydrophobicContact CD1-CD2 3.85Å; I315-L326 HydrophobicContact CD1-CG 4.15Å; I315-L326 HydrophobicContact CG1-CD1 4.04Å; F320-L326 HydrophobicContact CB-CB 3.93Å; F320-L326 HydrophobicContact CD1-CB 4.2Å; F320-L326 HydrophobicContact CD2-CB 3.64Å; F320-L326 HydrophobicContact CD2-CD1 3.71Å; F320-L326 HydrophobicContact CD2-CG 3.67Å; F320-L326 HydrophobicContact CE2-CB 4.17Å; F320-L326 HydrophobicContact CE2-CD1 4.12Å; F320-L326 HydrophobicContact CE2-CG 3.84Å; F320-L326 HydrophobicContact CG-CB 3.64Å; F320-L326 HydrophobicContact CG-CD1 4.48Å; F320-L326 HydrophobicContact CG-CG 4.21Å; S322-L326 PolarHBondContact O-N 2.86Å; I323-L326 WeakPolarHBondContact O-CB 3.37Å; I323-L326 PolarHBondContact O-N 3.33Å; L326-H329 PolarHBondContact O-N 2.74Å; L326-Y330 HydrophobicContact CD2-CD2 4.04Å; L326-Y330 HydrophobicContact CD2-CE2 4.41Å; L326-Y330 HydrophobicContact CG-CD2 4.15Å; L326-Y330 HydrophobicContact CG-CE2 4.17Å; L326-Y330 VanDerWaalsContact O-CD2 3.23Å; L326-Y330 WeakPolarHBondContact O-CD2 3.42Å; L326-Y330 PolarHBondContact O-N 2.87Å; L326-Y330 VanDerWaalsContact O-N 3.14Å |
| 327 | I | 88.1 | Confident | 86.9 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 5% | 0.046 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.8 | -51 | 179.5 | -68.9 | 167 | 0 | 0 | 0 | 109.8 | W256 Y279 I281 I323 D324 H329 Y330 M331 L346 | W256-I327 HydrophobicContact CD2-CD1 3.9Å; W256-I327 HydrophobicContact CG-CD1 4.14Å; W256-I327 HydrophobicContact CZ2-CD1 4.01Å; Y279-I327 HydrophobicContact CE2-CG2 4.35Å; Y279-I327 VanDerWaalsContact OH-CG2 3.28Å; Y279-I327 WeakPolarHBondContact OH-CG2 3.24Å; I281-I327 HydrophobicContact CD1-CD1 3.81Å; I281-I327 HydrophobicContact CD1-CG1 4.11Å; I323-I327 HydrophobicContact CG1-CD1 4.16Å; I323-I327 VanDerWaalsContact O-CG1 3.29Å; I323-I327 WeakPolarHBondContact O-CG1 3.4Å; I323-I327 PolarHBondContact O-N 2.83Å; D324-I327 PolarHBondContact O-N 3Å; I327-H329 VanDerWaalsContact C-N 3.27Å; I327-H329 PolarHBondContact O-N 2.79Å; I327-Y330 PolarHBondContact O-N 2.7Å; I327-Y330 VanDerWaalsContact O-N 3.14Å; I327-M331 HydrophobicContact CG2-CG 4.44Å; I327-M331 HydrophobicContact CG2-SD 4.11Å; I327-M331 WeakPolarHBondContact O-CB 3.07Å; I327-M331 WeakPolarHBondContact O-CG 3.13Å; I327-M331 PolarHBondContact O-N 2.93Å; I327-L346 HydrophobicContact CG2-CD1 4.42Å |
| 328 | G | 79.3 | Confident | 85.9 | Confident | 25 Ų | 25 | 53 Ų | 53 | 26% | 0.258 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.5 | -35.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D324 E325 M331 | D324-G328 PolarHBondContact O-N 2.98Å; E325-G328 PolarHBondContact O-N 3.25Å; G328-M331 WeakPolarHBondContact O-CB 3.34Å |
| 329 | H | 84.4 | Confident | 84.7 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 17% | 0.171 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.6 | -46.8 | 174.6 | 176.2 | -75.3 | 0 | 0 | 0 | 112 | R318 F320 E325 L326 I327 M331 V332 K333 | R318-H329 PolarHBondContact NH1-CE1 3.21Å; R318-H329 PolarHBondContact NH1-NE2 2.99Å; F320-H329 HydrophobicContact CD1-CB 4.33Å; F320-H329 HydrophobicContact CE1-CB 3.45Å; F320-H329 VanDerWaalsContact CE1-CB 3.45Å; F320-H329 AromaticContact CE1-CD2 3.8Å; F320-H329 AromaticContact CE1-CG 3.49Å; F320-H329 VanDerWaalsContact CE1-CG 3.49Å; F320-H329 HydrophobicContact CZ-CB 4.02Å; F320-H329 AromaticContact CZ-CG 3.81Å; F320-H329 AromaticContact CZ-ND1 3.87Å; E325-H329 VanDerWaalsContact O-CB 3.29Å; E325-H329 WeakPolarHBondContact O-CB 3.36Å; E325-H329 PolarHBondContact O-N 2.75Å; L326-H329 PolarHBondContact O-N 2.74Å; I327-H329 VanDerWaalsContact C-N 3.27Å; I327-H329 PolarHBondContact O-N 2.79Å; H329-M331 VanDerWaalsContact C-N 3.25Å; H329-M331 PolarHBondContact O-N 3.45Å; H329-V332 PolarHBondContact O-N 3.49Å; H329-K333 WeakPolarHBondContact NE2-CD 3.26Å; H329-K333 WeakPolarHBondContact O-CB 3Å; H329-K333 PolarHBondContact O-N 2.82Å |
| 330 | Y | 89.7 | Confident | 83.5 | Confident | 12 Ų | 12 | 53 Ų | 53 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -80.6 | -6.9 | -178.5 | -71.4 | -65 | 0 | 0 | 0 | 114.5 | I315 R318 F320 L326 I327 K333 I335 L346 | I315-Y330 HydrophobicContact CB-CE2 4.21Å; I315-Y330 HydrophobicContact CD1-CD2 4.18Å; I315-Y330 HydrophobicContact CD1-CE2 3.69Å; I315-Y330 HydrophobicContact CG1-CE2 4.44Å; R318-Y330 WeakPolarHBondContact CD-OH 3.49Å; F320-Y330 AromaticContact CE2-CE2 3.72Å; F320-Y330 HydrophobicContact CE2-CE2 3.72Å; F320-Y330 HydrophobicContact CZ-CD2 4.35Å; F320-Y330 AromaticContact CZ-CE2 3.7Å; F320-Y330 HydrophobicContact CZ-CE2 3.7Å; L326-Y330 HydrophobicContact CD2-CD2 4.04Å; L326-Y330 HydrophobicContact CD2-CE2 4.41Å; L326-Y330 HydrophobicContact CG-CD2 4.15Å; L326-Y330 HydrophobicContact CG-CE2 4.17Å; L326-Y330 VanDerWaalsContact O-CD2 3.23Å; L326-Y330 WeakPolarHBondContact O-CD2 3.42Å; L326-Y330 PolarHBondContact O-N 2.87Å; L326-Y330 VanDerWaalsContact O-N 3.14Å; I327-Y330 PolarHBondContact O-N 2.7Å; I327-Y330 VanDerWaalsContact O-N 3.14Å; Y330-K333 CarbonylContact C-O 3.5Å; Y330-K333 VanDerWaalsContact CA-O 3.24Å; Y330-K333 WeakPolarHBondContact CA-O 3.2Å; Y330-K333 VanDerWaalsContact O-O 3.05Å; Y330-I335 VanDerWaalsContact CD1-CA 3.49Å; Y330-I335 HydrophobicContact CD1-CB 3.61Å; Y330-I335 HydrophobicContact CD1-CD1 4.41Å; Y330-I335 HydrophobicContact CD1-CG1 3.85Å; Y330-I335 HydrophobicContact CD2-CD1 4.44Å; Y330-I335 HydrophobicContact CE1-CB 4.07Å; Y330-I335 HydrophobicContact CE1-CG1 3.91Å; Y330-I335 HydrophobicContact CG-CB 4.12Å; Y330-I335 HydrophobicContact CG-CD1 4.27Å; Y330-I335 HydrophobicContact CG-CG1 4.21Å; Y330-L346 PolarHBondContact O-N 3.22Å |
| 331 | M | 86.1 | Confident | 82.3 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 11% | 0.108 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.7 | -40.3 | 163.8 | -93 | 179.6 | 144.1 | 0 | 0 | 112.1 | N170 I327 G328 H329 L346 V347 | N170-M331 HydrophobicContact CB-CE 4.44Å; N170-M331 WeakPolarHBondContact ND2-CB 3.1Å; N170-M331 VanDerWaalsContact ND2-CG 3.27Å; N170-M331 WeakPolarHBondContact ND2-CG 3.25Å; N170-M331 PolarHBondContact ND2-SD 3.2Å; N170-M331 VanDerWaalsContact ND2-SD 3.42Å; N170-M331 PolarHBondContact OD1-O 3.07Å; I327-M331 HydrophobicContact CG2-CG 4.44Å; I327-M331 HydrophobicContact CG2-SD 4.11Å; I327-M331 WeakPolarHBondContact O-CB 3.07Å; I327-M331 WeakPolarHBondContact O-CG 3.13Å; I327-M331 PolarHBondContact O-N 2.93Å; G328-M331 WeakPolarHBondContact O-CB 3.34Å; H329-M331 VanDerWaalsContact C-N 3.25Å; H329-M331 PolarHBondContact O-N 3.45Å; M331-L346 WeakPolarHBondContact CA-O 3.31Å; M331-L346 HydrophobicContact CG-CB 4.1Å; M331-L346 VanDerWaalsContact CG-O 3.23Å; M331-L346 WeakPolarHBondContact CG-O 3.17Å; M331-V347 VanDerWaalsContact CE-O 3.25Å; M331-V347 WeakPolarHBondContact CE-O 3.3Å |
| 332 | V | 76.2 | Confident | 81.7 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -94.1 | -29.3 | -178.7 | -178.7 | 0 | 0 | 0 | 0 | 112.5 | W155 Y171 H329 Y345 | W155-V332 HydrophobicContact CZ2-CG1 4.44Å; Y171-V332 HydrophobicContact CE2-CG2 3.8Å; H329-V332 PolarHBondContact O-N 3.49Å; V332-Y345 WeakPolarHBondContact O-CE1 3.41Å |
| 333 | K | 84.8 | Confident | 81.7 | Confident | 105 Ų | 105 | 56 Ų | 56 | 46% | 0.457 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -117.9 | 142.1 | -177.4 | -70.7 | 172.8 | 179.3 | 171.4 | 0 | 110.7 | H329 Y330 I335 | H329-K333 WeakPolarHBondContact NE2-CD 3.26Å; H329-K333 WeakPolarHBondContact O-CB 3Å; H329-K333 PolarHBondContact O-N 2.82Å; Y330-K333 CarbonylContact C-O 3.5Å; Y330-K333 VanDerWaalsContact CA-O 3.24Å; Y330-K333 WeakPolarHBondContact CA-O 3.2Å; Y330-K333 VanDerWaalsContact O-O 3.05Å; K333-I335 PolarHBondContact O-N 3.23Å |
| 334 | P | 90.3 | Very high | 81.7 | Confident | 46 Ų | 46 | 56.8 Ų | 56.8 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | trans | -66.2 | 133.1 | -175.5 | 26.1 | -32.8 | 0 | 0 | 0 | 111 | S336 N343 L344 Y345 | P334-S336 VanDerWaalsContact C-N 3.3Å; P334-N343 HydrophobicContact CB-CB 3.94Å; P334-N343 HydrophobicContact CG-CB 4.45Å; P334-L344 CarbonylContact C-O 3.56Å; P334-L344 WeakPolarHBondContact CA-O 3.34Å; P334-Y345 HydrophobicContact CB-CD1 4.38Å; P334-Y345 HydrophobicContact CB-CE1 4Å; P334-Y345 HydrophobicContact CB-CE2 4.46Å; P334-Y345 VanDerWaalsContact CD-CE1 3.46Å; P334-Y345 HydrophobicContact CG-CE1 4.26Å; P334-Y345 VanDerWaalsContact N-CE1 3.29Å | ||
| 335 | I | 90.4 | Very high | 81.9 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -73.5 | -28.5 | 172.2 | -167.2 | 164.2 | 0 | 0 | 0 | 111.4 | I293 L295 F304 I315 Y330 K333 L344 | I293-I335 HydrophobicContact CG2-CD1 4.12Å; L295-I335 HydrophobicContact CD2-CG2 3.66Å; F304-I335 HydrophobicContact CB-CD1 4.14Å; F304-I335 HydrophobicContact CD1-CD1 4.24Å; F304-I335 HydrophobicContact CD1-CG1 4.06Å; F304-I335 HydrophobicContact CD2-CD1 3.44Å; F304-I335 VanDerWaalsContact CD2-CD1 3.44Å; F304-I335 HydrophobicContact CD2-CG1 3.95Å; F304-I335 HydrophobicContact CD2-CG2 4.43Å; F304-I335 HydrophobicContact CE1-CG1 4.03Å; F304-I335 HydrophobicContact CE2-CB 4.44Å; F304-I335 HydrophobicContact CE2-CD1 3.8Å; F304-I335 HydrophobicContact CE2-CG1 3.91Å; F304-I335 HydrophobicContact CE2-CG2 3.67Å; F304-I335 HydrophobicContact CG-CD1 3.68Å; F304-I335 HydrophobicContact CG-CG1 4.02Å; F304-I335 HydrophobicContact CZ-CB 4.43Å; F304-I335 HydrophobicContact CZ-CD1 4.35Å; F304-I335 HydrophobicContact CZ-CG1 3.96Å; F304-I335 HydrophobicContact CZ-CG2 3.76Å; I315-I335 HydrophobicContact CD1-CD1 4.11Å; Y330-I335 VanDerWaalsContact CD1-CA 3.49Å; Y330-I335 HydrophobicContact CD1-CB 3.61Å; Y330-I335 HydrophobicContact CD1-CD1 4.41Å; Y330-I335 HydrophobicContact CD1-CG1 3.85Å; Y330-I335 HydrophobicContact CD2-CD1 4.44Å; Y330-I335 HydrophobicContact CE1-CB 4.07Å; Y330-I335 HydrophobicContact CE1-CG1 3.91Å; Y330-I335 HydrophobicContact CG-CB 4.12Å; Y330-I335 HydrophobicContact CG-CD1 4.27Å; Y330-I335 HydrophobicContact CG-CG1 4.21Å; K333-I335 PolarHBondContact O-N 3.23Å; I335-L344 HydrophobicContact CG2-CB 4.31Å; I335-L344 WeakPolarHBondContact CG2-O 3.42Å; I335-L344 PolarHBondContact N-O 3.32Å |
| 336 | S | 87.4 | Confident | 82.2 | Confident | 33 Ų | 33 | 50.9 Ų | 50.9 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 134.1 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 109.1 | P334 L344 | P334-S336 VanDerWaalsContact C-N 3.3Å; S336-L344 PolarHBondContact O-N 2.98Å |
| 337 | S | 82.3 | Confident | 81.9 | Confident | 80 Ų | 80 | 53.1 Ų | 53.1 | 56% | 0.559 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.5 | 169.8 | 55.4 | 0 | 0 | 0 | 0 | 107.8 | N343 | S337-N343 VanDerWaalsContact CB-OD1 3.22Å; S337-N343 WeakPolarHBondContact CB-OD1 3.41Å |
| 338 | N | 68.5 | Low | 81.9 | Confident | 68 Ų | 68 | 56.7 Ų | 56.7 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | trans | -104.7 | 13 | -179.3 | 68.1 | -2.6 | 0 | 0 | 0 | 113.8 | R340 E342 | N338-R340 PolarHBondContact O-N 3.43Å; N338-R340 PolarHBondContact OD1-N 2.8Å; N338-E342 PolarHBondContact ND2-OE2 2.9Å; N338-E342 WeakPolarHBondContact OD1-CB 3.47Å; N338-E342 PolarHBondContact OD1-N 2.84Å; N338-E342 VanDerWaalsContact OD1-N 3.12Å | ||
| 339 | G | 66.3 | Low | 82.5 | Confident | 80 Ų | 80 | 56.7 Ų | 56.7 | 83% | 0.825 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 65.5 | -13.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G341 | G339-G341 VanDerWaalsContact C-N 3.31Š|
| 340 | R | 67.2 | Low | 82.9 | Confident | 227 Ų | 227 | 55.2 Ų | 55.2 | 86% | 0.857 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -89.6 | 5.8 | 175.6 | -64.4 | -172 | 179.5 | -138.8 | 0.4 | 113.1 | N338 | N338-R340 PolarHBondContact O-N 3.43Å; N338-R340 PolarHBondContact OD1-N 2.8Å |
| 341 | G | 65 | Low | 82.7 | Confident | 61 Ų | 61 | 58.7 Ų | 58.7 | 63% | 0.629 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 95 | -2.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G339 N343 | G339-G341 VanDerWaalsContact C-N 3.31Å; G341-N343 PolarHBondContact O-N 3.4Å |
| 342 | E | 74.4 | Confident | 82.5 | Confident | 91 Ų | 91 | 60.6 Ų | 60.6 | 43% | 0.425 | 35% | 0.349 | S | S | . | . | trans | -84.8 | 85.3 | 173.9 | -55.1 | 179.5 | 150.4 | 0 | 0 | 109.3 | N338 | N338-E342 PolarHBondContact ND2-OE2 2.9Å; N338-E342 WeakPolarHBondContact OD1-CB 3.47Å; N338-E342 PolarHBondContact OD1-N 2.84Å; N338-E342 VanDerWaalsContact OD1-N 3.12Å | ||
| 343 | N | 85.6 | Confident | 82.8 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 32% | 0.321 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 116.9 | 169.4 | -74 | -17.2 | 0 | 0 | 0 | 108.3 | P334 S337 G341 Y345 | P334-N343 HydrophobicContact CB-CB 3.94Å; P334-N343 HydrophobicContact CG-CB 4.45Å; S337-N343 VanDerWaalsContact CB-OD1 3.22Å; S337-N343 WeakPolarHBondContact CB-OD1 3.41Å; G341-N343 PolarHBondContact O-N 3.4Å; N343-Y345 HydrophobicContact CB-CD2 4.34Å; N343-Y345 HydrophobicContact CB-CE2 3.47Å; N343-Y345 VanDerWaalsContact CB-CE2 3.47Å; N343-Y345 WeakPolarHBondContact O-CD2 3.2Å |
| 344 | L | 89.1 | Confident | 82.7 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.3 | 178.7 | -62.7 | 178.2 | 0 | 0 | 0 | 109.4 | L295 A297 K302 P334 I335 S336 | L295-L344 HydrophobicContact CD2-CB 3.87Å; A297-L344 HydrophobicContact CB-CD1 3.88Å; A297-L344 HydrophobicContact CB-CD2 3.85Å; K302-L344 HydrophobicContact CG-CD1 3.66Å; P334-L344 CarbonylContact C-O 3.56Å; P334-L344 WeakPolarHBondContact CA-O 3.34Å; I335-L344 HydrophobicContact CG2-CB 4.31Å; I335-L344 WeakPolarHBondContact CG2-O 3.42Å; I335-L344 PolarHBondContact N-O 3.32Å; S336-L344 PolarHBondContact O-N 2.98Å |
| 345 | Y | 89.8 | Confident | 82.3 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 13% | 0.125 | 35% | 0.352 | C | S | . | . | trans | -117.8 | 158.7 | 178 | -58.9 | -94.8 | 0 | 0 | 0 | 109.8 | D153 V332 P334 N343 | D153-Y345 WeakPolarHBondContact O-CE2 3.22Å; D153-Y345 PolarHBondContact O-OH 3.42Å; V332-Y345 WeakPolarHBondContact O-CE1 3.41Å; P334-Y345 HydrophobicContact CB-CD1 4.38Å; P334-Y345 HydrophobicContact CB-CE1 4Å; P334-Y345 HydrophobicContact CB-CE2 4.46Å; P334-Y345 VanDerWaalsContact CD-CE1 3.46Å; P334-Y345 HydrophobicContact CG-CE1 4.26Å; P334-Y345 VanDerWaalsContact N-CE1 3.29Å; N343-Y345 HydrophobicContact CB-CD2 4.34Å; N343-Y345 HydrophobicContact CB-CE2 3.47Å; N343-Y345 VanDerWaalsContact CB-CE2 3.47Å; N343-Y345 WeakPolarHBondContact O-CD2 3.2Å | ||
| 346 | L | 89.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | trans | -80.4 | 120.5 | 164.9 | -55.8 | -176.5 | 0 | 0 | 0 | 108 | Y279 I293 L295 I327 Y330 M331 | Y279-L346 HydrophobicContact CD1-CB 3.74Å; Y279-L346 HydrophobicContact CD1-CD2 4.11Å; Y279-L346 HydrophobicContact CD1-CG 4.37Å; Y279-L346 HydrophobicContact CE1-CB 3.85Å; Y279-L346 HydrophobicContact CG-CB 4.37Å; Y279-L346 HydrophobicContact CG-CD2 3.94Å; I293-L346 HydrophobicContact CD1-CD1 3.45Å; I293-L346 VanDerWaalsContact CD1-CD1 3.45Å; I293-L346 HydrophobicContact CD1-CD2 3.52Å; I293-L346 HydrophobicContact CD1-CG 4.13Å; I293-L346 HydrophobicContact CG1-CD2 4.33Å; L295-L346 HydrophobicContact CD1-CD2 4Å; L295-L346 HydrophobicContact CD2-CD2 4.3Å; I327-L346 HydrophobicContact CG2-CD1 4.42Å; Y330-L346 PolarHBondContact O-N 3.22Å; M331-L346 WeakPolarHBondContact CA-O 3.31Å; M331-L346 HydrophobicContact CG-CB 4.1Å; M331-L346 VanDerWaalsContact CG-O 3.23Å; M331-L346 WeakPolarHBondContact CG-O 3.17Å | ||
| 347 | V | 85.3 | Confident | 81.4 | Confident | 46 Ų | 46 | 64.4 Ų | 64.4 | 28% | 0.279 | 38% | 0.376 | S | S | . | . | trans | -99.9 | -62.2 | -179.1 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | N170 G277 M331 | N170-V347 HydrophobicContact CB-CG1 4.3Å; N170-V347 WeakPolarHBondContact CB-O 3.31Å; G277-V347 PolarHBondContact O-N 3.26Å; M331-V347 VanDerWaalsContact CE-O 3.25Å; M331-V347 WeakPolarHBondContact CE-O 3.3Å | ||
| 348 | K | 88 | Confident | 81.3 | Confident | 85 Ų | 85 | 63.3 Ų | 63.3 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 158.1 | 179.5 | 61.2 | 171.2 | -176.5 | 167 | 0 | 112 | D278 Y279 | D278-K348 CarbonylContact C-O 3.42Å; D278-K348 VanDerWaalsContact CA-O 3.31Å; D278-K348 WeakPolarHBondContact CA-O 2.99Å; D278-K348 WeakPolarHBondContact OD1-CE 3.5Å; D278-K348 WeakPolarHBondContact OD1-CG 3.44Å; D278-K348 WeakPolarHBondContact OD2-CE 3.24Å; Y279-K348 VanDerWaalsContact CD1-C 3.48Å; Y279-K348 WeakPolarHBondContact CD1-O 3.43Å; Y279-K348 VanDerWaalsContact CE1-O 3.31Å; Y279-K348 WeakPolarHBondContact CE1-O 3.37Å; Y279-K348 PolarHBondContact N-O 2.66Å |
| 349 | P | 92.1 | Very high | 82.3 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 16% | 0.162 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 145.4 | 167.4 | -23.3 | 34.6 | 0 | 0 | 0 | 111.4 | E255 W256 Y279 S351 | E255-P349 HydrophobicContact CB-CB 4.13Å; E255-P349 HydrophobicContact CB-CG 4.31Å; W256-P349 HydrophobicContact CB-CB 4.01Å; W256-P349 HydrophobicContact CB-CG 4.07Å; Y279-P349 CarbonylContact O-C 3.48Å; Y279-P349 WeakPolarHBondContact O-CA 3.03Å; P349-S351 PolarHBondContact O-N 3.43Å |
| 350 | L | 93.4 | Very high | 83.6 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | trans | -62.3 | 122.2 | 171 | -175.6 | 66.8 | 0 | 0 | 0 | 109.6 | L234 F258 L269 L270 G274 D278 Y279 L280 | L234-L350 HydrophobicContact CD1-CD2 4.24Å; L234-L350 HydrophobicContact CD2-CG 4.31Å; F258-L350 HydrophobicContact CE1-CD2 4.42Å; F258-L350 HydrophobicContact CE2-CB 4.38Å; F258-L350 HydrophobicContact CZ-CB 4.15Å; F258-L350 HydrophobicContact CZ-CD2 4.11Å; F258-L350 HydrophobicContact CZ-CG 4.39Å; L269-L350 HydrophobicContact CB-CD2 3.93Å; L270-L350 HydrophobicContact CD2-CD1 4.21Å; L270-L350 HydrophobicContact CD2-CD2 4.16Å; G274-L350 VanDerWaalsContact CA-CD1 3.41Å; D278-L350 HydrophobicContact CB-CD1 4.33Å; Y279-L350 PolarHBondContact O-N 3.43Å; L280-L350 HydrophobicContact CB-CB 4.46Å; L280-L350 HydrophobicContact CD2-CD2 3.82Å | ||
| 351 | S | 84.7 | Confident | 85.1 | Confident | 85 Ų | 85 | 46.5 Ų | 46.5 | 59% | 0.594 | 28% | 0.277 | S | S | * | . | trans | -138.3 | 0 | -172.1 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | L234 P349 | L234-S351 WeakPolarHBondContact CD2-OXT 3.33Å; P349-S351 PolarHBondContact O-N 3.43Å |
Retrieved 351 of 351 residues in 315.2 ms
(Link to these results)