| 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 | 48.1 | Very low | 72.1 | Confident | 178 Ų | 178 | 61 Ų | 61 | 88% | 0.877 | 32% | 0.315 | S | S | * | . | 0 | 105.6 | 0 | -178.6 | 178.8 | -80.9 | 0 | 0 | 104.5 | D3 | M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.34Å | |||
| 2 | V | 54.8 | Low | 72.8 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | trans | 40.8 | 45.4 | -172.8 | -147.6 | 0 | 0 | 0 | 0 | 116 | L4 V6 L30 | V2-L4 PolarHBondContact O-N 2.91Å; V2-V6 VanDerWaalsContact O-CG2 3.28Å; V2-V6 WeakPolarHBondContact O-CG2 3.32Å; V2-L30 HydrophobicContact CG1-CB 3.8Å; V2-L30 HydrophobicContact CG1-CD1 3.58Å; V2-L30 HydrophobicContact CG1-CG 4.35Å; V2-L30 HydrophobicContact CG2-CB 4.49Å | ||
| 3 | D | 66.3 | Low | 73.3 | Confident | 126 Ų | 126 | 56.3 Ų | 56.3 | 67% | 0.674 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -67.7 | -22.8 | 179.1 | -84.7 | -56.8 | 0 | 0 | 0 | 113.3 | M1 F5 V6 | M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.34Å; D3-F5 VanDerWaalsContact C-N 3.25Å; D3-F5 PolarHBondContact O-N 3.35Å; D3-V6 PolarHBondContact O-N 3.25Å |
| 4 | L | 78.8 | Confident | 73 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.115 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -66.2 | -25.1 | -170.9 | -167.3 | 68.5 | 0 | 0 | 0 | 113.5 | V2 L37 Y107 L111 M114 F115 L126 C130 | V2-L4 PolarHBondContact O-N 2.91Å; L4-L37 HydrophobicContact CD2-CD1 4.4Å; L4-Y107 WeakPolarHBondContact CD1-OH 3.36Å; L4-Y107 WeakPolarHBondContact CG-OH 3.47Å; L4-Y107 WeakPolarHBondContact O-CE1 3.41Å; L4-Y107 VanDerWaalsContact O-CZ 3.27Å; L4-Y107 PolarHBondContact O-OH 3.35Å; L4-L111 HydrophobicContact CD1-CD2 4.18Å; L4-L111 HydrophobicContact CD2-CD2 4.26Å; L4-L111 HydrophobicContact CG-CD2 4.28Å; L4-M114 HydrophobicContact CD1-CE 4.22Å; L4-M114 HydrophobicContact CD1-SD 3.56Å; L4-M114 VanDerWaalsContact CD1-SD 3.56Å; L4-F115 HydrophobicContact CD2-CE2 4.22Å; L4-F115 HydrophobicContact CD2-CZ 3.98Å; L4-L126 HydrophobicContact CD2-CD1 3.71Å; L4-C130 HydrophobicContact CB-CB 4.14Å |
| 5 | F | 79.6 | Confident | 71.9 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 2% | 0.022 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -124.3 | 18.4 | -179 | -60.3 | -75.5 | 0 | 0 | 0 | 112.7 | D3 R8 L10 I26 L30 L35 L37 L76 Y107 L111 | D3-F5 VanDerWaalsContact C-N 3.25Å; D3-F5 PolarHBondContact O-N 3.35Å; F5-R8 HydrophobicContact CB-CB 4.46Å; F5-R8 PolarHBondContact O-N 3.49Å; F5-L10 HydrophobicContact CD1-CD2 3.96Å; F5-L10 HydrophobicContact CE1-CD2 4.35Å; F5-L10 HydrophobicContact CG-CD1 4.47Å; F5-I26 HydrophobicContact CB-CG2 4.22Å; F5-L30 HydrophobicContact CB-CD1 4.26Å; F5-L30 HydrophobicContact CD2-CD1 3.82Å; F5-L30 HydrophobicContact CG-CD1 4.37Å; F5-L35 HydrophobicContact CE2-CD1 4.41Å; F5-L37 HydrophobicContact CE2-CD2 4.35Å; F5-L37 HydrophobicContact CZ-CD2 3.95Å; F5-L76 HydrophobicContact CD1-CD2 4.35Å; F5-L76 HydrophobicContact CE1-CD2 3.37Å; F5-L76 HydrophobicContact CE2-CD2 4.02Å; F5-L76 HydrophobicContact CZ-CD2 3.18Å; F5-Y107 HydrophobicContact CD1-CD1 4.42Å; F5-Y107 AromaticContact CD1-CE1 3.81Å; F5-Y107 HydrophobicContact CD1-CE1 3.81Å; F5-Y107 HydrophobicContact CE1-CD1 4.31Å; F5-Y107 AromaticContact CE1-CE1 3.71Å; F5-Y107 HydrophobicContact CE1-CE1 3.71Å; F5-L111 HydrophobicContact CE1-CD1 4.07Å; F5-L111 HydrophobicContact CZ-CD1 4.46Å |
| 6 | V | 72.3 | Confident | 71 | Confident | 46 Ų | 46 | 66.3 Ų | 66.3 | 28% | 0.279 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 136.4 | 172.2 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | V2 D3 R8 | V2-V6 VanDerWaalsContact O-CG2 3.28Å; V2-V6 WeakPolarHBondContact O-CG2 3.32Å; D3-V6 PolarHBondContact O-N 3.25Å; V6-R8 PolarHBondContact O-N 3.41Å; V6-R8 VanDerWaalsContact O-N 3.1Å |
| 7 | D | 72.7 | Confident | 70.3 | Confident | 133 Ų | 133 | 66 Ų | 66 | 71% | 0.711 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 13.2 | -175.5 | -57.8 | -45.7 | 0 | 0 | 0 | 115.5 | ||
| 8 | R | 78.9 | Confident | 69.7 | Low | 80 Ų | 80 | 68.1 Ų | 68.1 | 30% | 0.302 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 151.5 | 176.2 | -55.2 | -52.8 | -178.3 | 163.5 | 5 | 110.9 | F5 V6 I26 Y107 E110 | F5-R8 HydrophobicContact CB-CB 4.46Å; F5-R8 PolarHBondContact O-N 3.49Å; V6-R8 PolarHBondContact O-N 3.41Å; V6-R8 VanDerWaalsContact O-N 3.1Å; R8-I26 WeakPolarHBondContact O-CD1 3.49Å; R8-Y107 HydrophobicContact CG-CD1 4.19Å; R8-Y107 HydrophobicContact CG-CE1 4.25Å; R8-E110 IonicContact NH2-OE2 3.83Å |
| 9 | V | 76.5 | Confident | 69.3 | Low | 69 Ų | 69 | 68.5 Ų | 68.5 | 42% | 0.418 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -102.1 | 118.4 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | L20 | V9-L20 HydrophobicContact CG1-CB 3.98Å; V9-L20 HydrophobicContact CG1-CD1 4.35Å; V9-L20 HydrophobicContact CG1-CD2 3.81Å; V9-L20 HydrophobicContact CG1-CG 4.25Å |
| 10 | L | 82.4 | Confident | 69.1 | Low | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 137 | 170.2 | -59.9 | -175.5 | 0 | 0 | 0 | 108.5 | F5 D21 I26 L30 L76 L99 L101 | F5-L10 HydrophobicContact CD1-CD2 3.96Å; F5-L10 HydrophobicContact CE1-CD2 4.35Å; F5-L10 HydrophobicContact CG-CD1 4.47Å; L10-D21 PolarHBondContact O-N 2.98Å; L10-D21 VanDerWaalsContact O-N 3.17Å; L10-I26 HydrophobicContact CB-CD1 4.09Å; L10-I26 HydrophobicContact CB-CG1 4.21Å; L10-I26 HydrophobicContact CD1-CD1 4.47Å; L10-I26 HydrophobicContact CD1-CG1 4.27Å; L10-I26 HydrophobicContact CD1-CG2 3.83Å; L10-I26 HydrophobicContact CG-CD1 3.97Å; L10-I26 HydrophobicContact CG-CG1 4.23Å; L10-I26 HydrophobicContact CG-CG2 4.42Å; L10-L30 HydrophobicContact CD1-CD1 4.35Å; L10-L76 HydrophobicContact CD1-CD1 4.23Å; L10-L76 HydrophobicContact CD2-CD1 3.8Å; L10-L76 HydrophobicContact CD2-CD2 4.32Å; L10-L99 HydrophobicContact CD1-CD1 3.9Å; L10-L101 HydrophobicContact CD2-CD2 3.54Å; L10-L101 HydrophobicContact CD2-CG 4.31Å |
| 11 | V | 82.6 | Confident | 69.1 | Low | 6 Ų | 6 | 67.7 Ų | 67.7 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 134.4 | 177.8 | -168 | 0 | 0 | 0 | 0 | 108.4 | L20 L99 F100 A102 | V11-L20 HydrophobicContact CG1-CD2 4.39Å; V11-L20 HydrophobicContact CG2-CD2 3.73Å; V11-L99 CarbonylContact O-C 3.56Å; V11-L99 WeakPolarHBondContact O-CA 3.29Å; V11-F100 HydrophobicContact CB-CD1 4.07Å; V11-F100 HydrophobicContact CB-CD2 4.3Å; V11-F100 HydrophobicContact CB-CE1 3.61Å; V11-F100 HydrophobicContact CB-CE2 3.86Å; V11-F100 HydrophobicContact CB-CG 4.4Å; V11-F100 HydrophobicContact CB-CZ 3.5Å; V11-F100 HydrophobicContact CG1-CD1 4.45Å; V11-F100 HydrophobicContact CG1-CE1 3.53Å; V11-F100 HydrophobicContact CG1-CE2 4.13Å; V11-F100 HydrophobicContact CG1-CZ 3.34Å; V11-F100 HydrophobicContact CG2-CE2 4.35Å; V11-F100 HydrophobicContact CG2-CZ 4.36Å; V11-F100 PolarHBondContact N-O 3.23Å; V11-F100 WeakPolarHBondContact O-CD1 3.27Å; V11-F100 PolarHBondContact O-N 3.35Å; V11-A102 HydrophobicContact CG2-CB 4.48Å |
| 12 | K | 81.2 | Confident | 70.1 | Confident | 49 Ų | 49 | 63 Ų | 63 | 21% | 0.213 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 138.4 | 174.9 | -178.1 | 170.7 | 152 | -145.1 | 0 | 109.9 | N14 E19 L99 | K12-N14 PolarHBondContact O-N 3.31Å; K12-N14 PolarHBondContact O-OD1 3.01Å; K12-E19 HydrophobicContact CB-CB 4.41Å; K12-E19 PolarHBondContact N-O 2.88Å; K12-E19 IonicContact NZ-OE2 2.75Å; K12-E19 PolarHBondContact NZ-OE2 3.36Å; K12-L99 HydrophobicContact CB-CD2 4.09Å; K12-L99 HydrophobicContact CG-CD2 4.4Å |
| 13 | N | 78.7 | Confident | 70.9 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.064 | 34% | 0.343 | C | S | . | . | trans | -74.1 | 63 | 175.1 | -170.4 | 3.6 | 0 | 0 | 0 | 111.4 | L91 K96 S98 F100 | N13-L91 HydrophobicContact CB-CD2 4.44Å; N13-L91 PolarHBondContact ND2-O 3.34Å; N13-K96 CarbonylContact O-C 3.54Å; N13-K96 WeakPolarHBondContact O-CA 3.25Å; N13-S98 WeakPolarHBondContact CB-O 3.48Å; N13-S98 PolarHBondContact N-O 3.12Å; N13-S98 PolarHBondContact ND2-OG 2.83Å; N13-F100 HydrophobicContact CB-CD1 4.25Å; N13-F100 HydrophobicContact CB-CE1 4.4Å | ||
| 14 | N | 69.6 | Low | 71.2 | Confident | 23 Ų | 23 | 71.6 Ų | 71.6 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | trans | -89.4 | 168.7 | 169.6 | 74.2 | -8.8 | 0 | 0 | 0 | 109.6 | K12 D16 Q17 D18 E19 | K12-N14 PolarHBondContact O-N 3.31Å; K12-N14 PolarHBondContact O-OD1 3.01Å; N14-D16 PolarHBondContact O-N 3.02Å; N14-Q17 PolarHBondContact O-N 2.83Å; N14-Q17 WeakPolarHBondContact OD1-CA 3.35Å; N14-Q17 PolarHBondContact OD1-N 3.42Å; N14-D18 PolarHBondContact ND2-OD1 3.44Å; N14-D18 PolarHBondContact OD1-N 3.26Å; N14-E19 VanDerWaalsContact ND2-CG 3.32Å; N14-E19 WeakPolarHBondContact ND2-CG 3.49Å; N14-E19 PolarHBondContact ND2-OE1 2.9Å | ||
| 15 | K | 56.4 | Low | 71.1 | Confident | 181 Ų | 181 | 74.9 Ų | 74.9 | 79% | 0.787 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.9 | -176.6 | -87 | -173 | 171.9 | -171.9 | 0 | 113.7 | ||
| 16 | D | 57.8 | Low | 71 | Confident | 125 Ų | 125 | 74.7 Ų | 74.7 | 67% | 0.668 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -5.5 | -171.2 | -59.3 | -54.4 | 0 | 0 | 0 | 112.5 | N14 D18 | N14-D16 PolarHBondContact O-N 3.02Å; D16-D18 HydrophobicContact CB-CB 4.36Å; D16-D18 WeakPolarHBondContact CB-OD1 3.33Å; D16-D18 PolarHBondContact O-N 3.48Å |
| 17 | Q | 59.4 | Low | 71.2 | Confident | 61 Ų | 61 | 74.6 Ų | 74.6 | 29% | 0.285 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 45.7 | 28.5 | -176.5 | -60.5 | -176.7 | 8 | 0 | 0 | 114.8 | N14 F100 | N14-Q17 PolarHBondContact O-N 2.83Å; N14-Q17 WeakPolarHBondContact OD1-CA 3.35Å; N14-Q17 PolarHBondContact OD1-N 3.42Å; Q17-F100 HydrophobicContact CB-CZ 4.35Å; Q17-F100 HydrophobicContact CG-CZ 4.26Å |
| 18 | D | 58.1 | Low | 71.6 | Confident | 104 Ų | 104 | 71 Ų | 71 | 56% | 0.556 | 35% | 0.345 | S | S | * | . | trans | -109.7 | -10.3 | -167.3 | 64.7 | -23.1 | 0 | 0 | 0 | 113.8 | N14 D16 L20 | N14-D18 PolarHBondContact ND2-OD1 3.44Å; N14-D18 PolarHBondContact OD1-N 3.26Å; D16-D18 HydrophobicContact CB-CB 4.36Å; D16-D18 WeakPolarHBondContact CB-OD1 3.33Å; D16-D18 PolarHBondContact O-N 3.48Å; D18-L20 PolarHBondContact O-N 2.88Å; D18-L20 VanDerWaalsContact O-N 3.16Å | ||
| 19 | E | 62.4 | Low | 71.6 | Confident | 75 Ų | 75 | 70 Ų | 70 | 35% | 0.35 | 34% | 0.341 | S | S | . | . | trans | -81.5 | 92.6 | 175.6 | -78.6 | 171.7 | -139.1 | 0 | 0 | 110.2 | K12 N14 | K12-E19 HydrophobicContact CB-CB 4.41Å; K12-E19 PolarHBondContact N-O 2.88Å; K12-E19 IonicContact NZ-OE2 2.75Å; K12-E19 PolarHBondContact NZ-OE2 3.36Å; N14-E19 VanDerWaalsContact ND2-CG 3.32Å; N14-E19 WeakPolarHBondContact ND2-CG 3.49Å; N14-E19 PolarHBondContact ND2-OE1 2.9Å | ||
| 20 | L | 65.7 | Low | 71.9 | Confident | 108 Ų | 108 | 66.8 Ų | 66.8 | 57% | 0.565 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 118.3 | 164.9 | -52.8 | -178.8 | 0 | 0 | 0 | 108.6 | V9 V11 D18 | V9-L20 HydrophobicContact CG1-CB 3.98Å; V9-L20 HydrophobicContact CG1-CD1 4.35Å; V9-L20 HydrophobicContact CG1-CD2 3.81Å; V9-L20 HydrophobicContact CG1-CG 4.25Å; V11-L20 HydrophobicContact CG1-CD2 4.39Å; V11-L20 HydrophobicContact CG2-CD2 3.73Å; D18-L20 PolarHBondContact O-N 2.88Å; D18-L20 VanDerWaalsContact O-N 3.16Å |
| 21 | D | 68.6 | Low | 71.8 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 6% | 0.064 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 132.2 | 172.2 | -75.2 | -51.1 | 0 | 0 | 0 | 108.9 | L10 E25 I26 R29 | L10-D21 PolarHBondContact O-N 2.98Å; L10-D21 VanDerWaalsContact O-N 3.17Å; D21-E25 HydrophobicContact CB-CB 4.02Å; D21-I26 HydrophobicContact CB-CD1 4.35Å; D21-I26 HydrophobicContact CB-CG1 3.62Å; D21-R29 VanDerWaalsContact CG-NE 3.33Å; D21-R29 IonicContact OD1-CZ 2.78Å; D21-R29 IonicContact OD1-NE 3.73Å; D21-R29 PolarHBondContact OD1-NE 3Å; D21-R29 VanDerWaalsContact OD1-NE 3.07Å; D21-R29 IonicContact OD1-NH2 3.19Å; D21-R29 PolarHBondContact OD1-NH2 3Å; D21-R29 VanDerWaalsContact OD2-CD 3.31Å; D21-R29 WeakPolarHBondContact OD2-CD 3.4Å; D21-R29 IonicContact OD2-CZ 3.39Å; D21-R29 IonicContact OD2-NE 3.9Å; D21-R29 PolarHBondContact OD2-NE 3.47Å |
| 22 | T | 69.8 | Low | 71.8 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 159.2 | 168.7 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | R24 E25 I26 | T22-R24 PolarHBondContact O-N 3.24Å; T22-R24 VanDerWaalsContact O-N 3.08Å; T22-E25 WeakPolarHBondContact CB-OE2 3.42Å; T22-E25 PolarHBondContact N-OE2 2.91Å; T22-E25 WeakPolarHBondContact O-CA 3.38Å; T22-E25 WeakPolarHBondContact O-CB 3.41Å; T22-E25 PolarHBondContact O-N 3.45Å; T22-E25 WeakPolarHBondContact OG1-CG 3.3Å; T22-E25 PolarHBondContact OG1-OE2 2.87Å; T22-I26 WeakPolarHBondContact O-CG1 3.4Å; T22-I26 PolarHBondContact O-N 3.44Å |
| 23 | E | 70.7 | Confident | 72.1 | Confident | 102 Ų | 102 | 72.5 Ų | 72.5 | 48% | 0.477 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -48.2 | -43 | 177.8 | -172.2 | -162.9 | 171.9 | 0 | 0 | 112.6 | E25 I26 V27 | E23-E25 PolarHBondContact O-N 3.48Å; E23-I26 PolarHBondContact O-N 3.44Å; E23-V27 WeakPolarHBondContact O-CG2 3.44Å; E23-V27 PolarHBondContact O-N 2.89Å |
| 24 | R | 73.1 | Confident | 72.7 | Confident | 208 Ų | 208 | 72 Ų | 72 | 79% | 0.785 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.5 | -39.5 | 178.4 | -176.4 | 176.8 | 175.5 | 154.5 | 0.9 | 112.6 | T22 T28 | T22-R24 PolarHBondContact O-N 3.24Å; T22-R24 VanDerWaalsContact O-N 3.08Å; R24-T28 WeakPolarHBondContact O-CB 3.41Å; R24-T28 PolarHBondContact O-N 3.5Å; R24-T28 PolarHBondContact O-OG1 2.88Å |
| 25 | E | 77 | Confident | 73.8 | Confident | 91 Ų | 91 | 71 Ų | 71 | 43% | 0.425 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 177.9 | -72.2 | 160.7 | 160.5 | 0 | 0 | 110.6 | D21 T22 E23 T28 R29 | D21-E25 HydrophobicContact CB-CB 4.02Å; T22-E25 WeakPolarHBondContact CB-OE2 3.42Å; T22-E25 PolarHBondContact N-OE2 2.91Å; T22-E25 WeakPolarHBondContact O-CA 3.38Å; T22-E25 WeakPolarHBondContact O-CB 3.41Å; T22-E25 PolarHBondContact O-N 3.45Å; T22-E25 WeakPolarHBondContact OG1-CG 3.3Å; T22-E25 PolarHBondContact OG1-OE2 2.87Å; E23-E25 PolarHBondContact O-N 3.48Å; E25-T28 PolarHBondContact O-N 2.87Å; E25-R29 WeakPolarHBondContact O-CG 3.45Å; E25-R29 PolarHBondContact O-N 3.36Å |
| 26 | I | 77.9 | Confident | 75.6 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.4 | -53.7 | 173.7 | -66.7 | 169.3 | 0 | 0 | 0 | 110.3 | F5 R8 L10 D21 T22 E23 T28 R29 L30 | F5-I26 HydrophobicContact CB-CG2 4.22Å; R8-I26 WeakPolarHBondContact O-CD1 3.49Å; L10-I26 HydrophobicContact CB-CD1 4.09Å; L10-I26 HydrophobicContact CB-CG1 4.21Å; L10-I26 HydrophobicContact CD1-CD1 4.47Å; L10-I26 HydrophobicContact CD1-CG1 4.27Å; L10-I26 HydrophobicContact CD1-CG2 3.83Å; L10-I26 HydrophobicContact CG-CD1 3.97Å; L10-I26 HydrophobicContact CG-CG1 4.23Å; L10-I26 HydrophobicContact CG-CG2 4.42Å; D21-I26 HydrophobicContact CB-CD1 4.35Å; D21-I26 HydrophobicContact CB-CG1 3.62Å; T22-I26 WeakPolarHBondContact O-CG1 3.4Å; T22-I26 PolarHBondContact O-N 3.44Å; E23-I26 PolarHBondContact O-N 3.44Å; I26-T28 VanDerWaalsContact C-N 3.27Å; I26-T28 PolarHBondContact O-N 3.29Å; I26-R29 PolarHBondContact O-N 2.89Å; I26-R29 VanDerWaalsContact O-N 3.12Å; I26-L30 HydrophobicContact CG2-CD1 3.51Å; I26-L30 HydrophobicContact CG2-CG 4.2Å; I26-L30 VanDerWaalsContact O-CG 3.25Å; I26-L30 WeakPolarHBondContact O-CG 3.48Å; I26-L30 PolarHBondContact O-N 3.48Å |
| 27 | V | 76.8 | Confident | 77.4 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57 | -44.5 | 178.7 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | E23 R29 L30 Q31 | E23-V27 WeakPolarHBondContact O-CG2 3.44Å; E23-V27 PolarHBondContact O-N 2.89Å; V27-R29 VanDerWaalsContact C-N 3.35Å; V27-R29 PolarHBondContact O-N 3.01Å; V27-L30 PolarHBondContact O-N 3.33Å; V27-Q31 WeakPolarHBondContact O-CB 3.39Å; V27-Q31 PolarHBondContact O-N 3.15Å |
| 28 | T | 79.3 | Confident | 79.2 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 179.3 | -54 | 0 | 0 | 0 | 0 | 112.2 | R24 E25 I26 F169 | R24-T28 WeakPolarHBondContact O-CB 3.41Å; R24-T28 PolarHBondContact O-N 3.5Å; R24-T28 PolarHBondContact O-OG1 2.88Å; E25-T28 PolarHBondContact O-N 2.87Å; I26-T28 VanDerWaalsContact C-N 3.27Å; I26-T28 PolarHBondContact O-N 3.29Å; T28-F169 HydrophobicContact CG2-CE2 4.16Å; T28-F169 HydrophobicContact CG2-CZ 4.16Å |
| 29 | R | 78.9 | Confident | 81 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 22% | 0.219 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.1 | -41.9 | 177 | -76.2 | -178.1 | -172.4 | -70.8 | -3.9 | 112.2 | D21 E25 I26 V27 R33 F169 | D21-R29 VanDerWaalsContact CG-NE 3.33Å; D21-R29 IonicContact OD1-CZ 2.78Å; D21-R29 IonicContact OD1-NE 3.73Å; D21-R29 PolarHBondContact OD1-NE 3Å; D21-R29 VanDerWaalsContact OD1-NE 3.07Å; D21-R29 IonicContact OD1-NH2 3.19Å; D21-R29 PolarHBondContact OD1-NH2 3Å; D21-R29 VanDerWaalsContact OD2-CD 3.31Å; D21-R29 WeakPolarHBondContact OD2-CD 3.4Å; D21-R29 IonicContact OD2-CZ 3.39Å; D21-R29 IonicContact OD2-NE 3.9Å; D21-R29 PolarHBondContact OD2-NE 3.47Å; E25-R29 WeakPolarHBondContact O-CG 3.45Å; E25-R29 PolarHBondContact O-N 3.36Å; I26-R29 PolarHBondContact O-N 2.89Å; I26-R29 VanDerWaalsContact O-N 3.12Å; V27-R29 VanDerWaalsContact C-N 3.35Å; V27-R29 PolarHBondContact O-N 3.01Å; R29-R33 WeakPolarHBondContact O-CD 3.33Å; R29-R33 PolarHBondContact O-NE 3.35Å; R29-R33 VanDerWaalsContact O-NE 3.14Å; R29-F169 HydrophobicContact CB-CZ 4.36Å; R29-F169 HydrophobicContact CG-CE1 3.56Å; R29-F169 HydrophobicContact CG-CZ 3.58Å; R29-F169 VanDerWaalsContact NH1-CE1 3.28Å |
| 30 | L | 82.6 | Confident | 82.5 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -85.3 | -21.3 | -173.5 | -57.9 | 178 | 0 | 0 | 0 | 112.8 | V2 F5 L10 I26 V27 N32 R33 L35 V74 | V2-L30 HydrophobicContact CG1-CB 3.8Å; V2-L30 HydrophobicContact CG1-CD1 3.58Å; V2-L30 HydrophobicContact CG1-CG 4.35Å; V2-L30 HydrophobicContact CG2-CB 4.49Å; F5-L30 HydrophobicContact CB-CD1 4.26Å; F5-L30 HydrophobicContact CD2-CD1 3.82Å; F5-L30 HydrophobicContact CG-CD1 4.37Å; L10-L30 HydrophobicContact CD1-CD1 4.35Å; I26-L30 HydrophobicContact CG2-CD1 3.51Å; I26-L30 HydrophobicContact CG2-CG 4.2Å; I26-L30 VanDerWaalsContact O-CG 3.25Å; I26-L30 WeakPolarHBondContact O-CG 3.48Å; I26-L30 PolarHBondContact O-N 3.48Å; V27-L30 PolarHBondContact O-N 3.33Å; L30-N32 PolarHBondContact O-N 3.36Å; L30-R33 PolarHBondContact O-N 2.97Å; L30-L35 HydrophobicContact CB-CD2 4.09Å; L30-L35 HydrophobicContact CD2-CD1 4.28Å; L30-L35 HydrophobicContact CD2-CD2 3.33Å; L30-L35 HydrophobicContact CD2-CG 4.44Å; L30-L35 HydrophobicContact CG-CD2 4.22Å; L30-V74 HydrophobicContact CD2-CB 4.25Å; L30-V74 HydrophobicContact CD2-CG1 3.89Å; L30-V74 HydrophobicContact CD2-CG2 4.3Å |
| 31 | Q | 82.1 | Confident | 83.7 | Confident | 86 Ų | 86 | 40.6 Ų | 40.6 | 40% | 0.402 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 130.4 | -175.9 | -177.3 | 172.5 | 7.9 | 0 | 0 | 112.3 | V27 R33 | V27-Q31 WeakPolarHBondContact O-CB 3.39Å; V27-Q31 PolarHBondContact O-N 3.15Å; Q31-R33 PolarHBondContact O-N 2.88Å |
| 32 | N | 82.7 | Confident | 84.7 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 32 | 179 | -155.2 | 75.7 | 0 | 0 | 0 | 113.6 | L30 Q72 | L30-N32 PolarHBondContact O-N 3.36Å; N32-Q72 PolarHBondContact ND2-OE1 2.88Å; N32-Q72 PolarHBondContact O-OE1 3.21Å |
| 33 | R | 87.2 | Confident | 85.6 | Confident | 56 Ų | 56 | 44 Ų | 44 | 21% | 0.211 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -126.8 | 151.3 | 175.9 | -56.8 | -167.3 | -167.1 | -114.6 | -5 | 111.1 | R29 L30 Q31 Q72 V74 | R29-R33 WeakPolarHBondContact O-CD 3.33Å; R29-R33 PolarHBondContact O-NE 3.35Å; R29-R33 VanDerWaalsContact O-NE 3.14Å; L30-R33 PolarHBondContact O-N 2.97Å; Q31-R33 PolarHBondContact O-N 2.88Å; R33-Q72 CarbonylContact C-O 3.59Å; R33-Q72 VanDerWaalsContact CA-O 3.29Å; R33-Q72 WeakPolarHBondContact CA-O 3.31Å; R33-Q72 HydrophobicContact CB-CB 4.44Å; R33-Q72 WeakPolarHBondContact CB-O 3.39Å; R33-Q72 HydrophobicContact CG-CB 4.09Å; R33-V74 HydrophobicContact CB-CG2 4.09Å; R33-V74 HydrophobicContact CG-CG2 4.45Å |
| 34 | L | 91.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 136.3 | 164.6 | -62.4 | -176.8 | 0 | 0 | 0 | 109.1 | Q72 L73 V74 L126 L133 Y149 W152 A156 L158 | L34-Q72 PolarHBondContact N-O 3.41Å; L34-L73 HydrophobicContact CB-CD1 3.86Å; L34-L73 CarbonylContact O-C 3.52Å; L34-L73 WeakPolarHBondContact O-CA 3.46Å; L34-V74 PolarHBondContact O-N 2.74Å; L34-L126 WeakPolarHBondContact CA-O 3.36Å; L34-L133 HydrophobicContact CD2-CD2 4.42Å; L34-Y149 HydrophobicContact CD1-CD2 4.25Å; L34-Y149 HydrophobicContact CD1-CE2 3.93Å; L34-W152 HydrophobicContact CD1-CB 3.7Å; L34-A156 HydrophobicContact CD2-CB 3.57Å; L34-L158 HydrophobicContact CD1-CD1 4.34Å; L34-L158 HydrophobicContact CD2-CD1 3.77Å; L34-L158 HydrophobicContact CD2-CG 4.49Å; L34-L158 HydrophobicContact CG-CD1 3.72Å |
| 35 | L | 92.4 | Very high | 87.3 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.3 | 175.4 | -51.6 | -179.5 | 0 | 0 | 0 | 108.9 | F5 L30 V74 V125 L126 | F5-L35 HydrophobicContact CE2-CD1 4.41Å; L30-L35 HydrophobicContact CB-CD2 4.09Å; L30-L35 HydrophobicContact CD2-CD1 4.28Å; L30-L35 HydrophobicContact CD2-CD2 3.33Å; L30-L35 HydrophobicContact CD2-CG 4.44Å; L30-L35 HydrophobicContact CG-CD2 4.22Å; L35-V74 HydrophobicContact CD2-CB 3.79Å; L35-V74 HydrophobicContact CD2-CG1 4.48Å; L35-V74 HydrophobicContact CD2-CG2 4.15Å; L35-V125 CarbonylContact O-C 3.59Å; L35-V125 WeakPolarHBondContact O-CA 3.37Å; L35-L126 HydrophobicContact CB-CB 4.16Å; L35-L126 PolarHBondContact N-O 3.25Å; L35-L126 PolarHBondContact O-N 2.92Å |
| 36 | M | 94.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 111 | 170.1 | -66.2 | 175.9 | 72.9 | 0 | 0 | 108.3 | L54 F57 L73 V74 L75 L76 V123 V124 V125 I141 W152 | M36-L54 HydrophobicContact CE-CD1 3.73Å; M36-F57 HydrophobicContact CE-CD1 4.24Å; M36-F57 HydrophobicContact CE-CE1 3.73Å; M36-F57 HydrophobicContact SD-CE1 3.86Å; M36-L73 HydrophobicContact CG-CD1 3.66Å; M36-L73 HydrophobicContact CG-CG 4.36Å; M36-L73 HydrophobicContact SD-CD1 3.57Å; M36-L73 VanDerWaalsContact SD-CD1 3.57Å; M36-L73 HydrophobicContact SD-CD2 3.62Å; M36-L73 HydrophobicContact SD-CG 3.86Å; M36-V74 PolarHBondContact N-O 3.23Å; M36-L75 HydrophobicContact CB-CD1 4.03Å; M36-L76 PolarHBondContact O-N 3.11Å; M36-V123 HydrophobicContact CB-CG1 4.25Å; M36-V123 HydrophobicContact CE-CG1 3.54Å; M36-V123 HydrophobicContact CG-CG1 4.5Å; M36-V124 CarbonylContact C-O 3.5Å; M36-V124 WeakPolarHBondContact CA-O 3.48Å; M36-V125 HydrophobicContact CG-CG2 4.47Å; M36-I141 HydrophobicContact CE-CD1 3.64Å; M36-W152 HydrophobicContact CE-CH2 4.43Å; M36-W152 HydrophobicContact CE-CZ3 4.3Å; M36-W152 HydrophobicContact SD-CZ3 4.3Å |
| 37 | L | 95.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 110 | 170.9 | -53.6 | -171.5 | 0 | 0 | 0 | 108.1 | L4 F5 F39 L76 I78 F115 V123 V124 L126 | L4-L37 HydrophobicContact CD2-CD1 4.4Å; F5-L37 HydrophobicContact CE2-CD2 4.35Å; F5-L37 HydrophobicContact CZ-CD2 3.95Å; L37-F39 HydrophobicContact CB-CD2 4.36Å; L37-F39 HydrophobicContact CB-CE2 3.66Å; L37-F39 HydrophobicContact CB-CZ 4.27Å; L37-F39 HydrophobicContact CD1-CE2 4.38Å; L37-F39 HydrophobicContact CD1-CZ 4.37Å; L37-L76 HydrophobicContact CD2-CB 3.9Å; L37-L76 HydrophobicContact CD2-CD2 3.71Å; L37-L76 HydrophobicContact CD2-CG 4.32Å; L37-I78 HydrophobicContact CB-CD1 3.96Å; L37-I78 HydrophobicContact CD1-CD1 4.3Å; L37-I78 HydrophobicContact CD2-CD1 4.32Å; L37-I78 HydrophobicContact CG-CD1 4.44Å; L37-F115 HydrophobicContact CD1-CD2 3.91Å; L37-F115 HydrophobicContact CD1-CE2 3.35Å; L37-F115 HydrophobicContact CD1-CZ 3.8Å; L37-V123 CarbonylContact O-C 3.55Å; L37-V123 WeakPolarHBondContact O-CA 3.35Å; L37-V124 HydrophobicContact CB-CB 4.19Å; L37-V124 PolarHBondContact N-O 2.64Å; L37-V124 PolarHBondContact O-N 3.1Å; L37-L126 HydrophobicContact CD1-CD1 3.76Å; L37-L126 HydrophobicContact CD1-CG 4.43Å; L37-L126 HydrophobicContact CG-CD1 4.02Å; L37-L126 HydrophobicContact CG-CG 4.43Å |
| 38 | F | 96.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 108.2 | 178.6 | 179.2 | -137.7 | 0 | 0 | 0 | 110.1 | A40 F50 L54 L75 L76 Y77 I78 F90 L94 P121 V123 | F38-A40 HydrophobicContact CD1-CB 4.34Å; F38-A40 HydrophobicContact CD2-CB 4.36Å; F38-A40 HydrophobicContact CE1-CB 3.72Å; F38-A40 HydrophobicContact CE2-CB 3.75Å; F38-A40 HydrophobicContact CZ-CB 3.4Å; F38-F50 HydrophobicContact CD2-CE1 4.45Å; F38-F50 AromaticContact CE2-CD1 3.75Å; F38-F50 HydrophobicContact CE2-CD1 3.75Å; F38-F50 AromaticContact CE2-CE1 3.85Å; F38-F50 HydrophobicContact CE2-CE1 3.85Å; F38-F50 AromaticContact CZ-CD1 3.97Å; F38-F50 HydrophobicContact CZ-CD1 3.97Å; F38-F50 HydrophobicContact CZ-CE1 4.36Å; F38-L54 HydrophobicContact CB-CD2 4.23Å; F38-L54 HydrophobicContact CD1-CD2 3.46Å; F38-L54 VanDerWaalsContact CD1-CD2 3.46Å; F38-L54 HydrophobicContact CD2-CD2 3.93Å; F38-L54 HydrophobicContact CE1-CD2 3.63Å; F38-L54 HydrophobicContact CE2-CD2 4.08Å; F38-L54 HydrophobicContact CG-CD2 3.61Å; F38-L54 HydrophobicContact CZ-CD2 3.94Å; F38-L75 HydrophobicContact CB-CD1 3.89Å; F38-L76 PolarHBondContact N-O 2.83Å; F38-Y77 AromaticContact CD1-CD2 3.69Å; F38-Y77 HydrophobicContact CD1-CD2 3.69Å; F38-Y77 HydrophobicContact CD1-CE2 4.3Å; F38-Y77 HydrophobicContact CE1-CD2 4.29Å; F38-Y77 HydrophobicContact CE1-CE2 4.5Å; F38-Y77 HydrophobicContact CG-CD2 4.39Å; F38-Y77 WeakPolarHBondContact O-CD2 3.48Å; F38-I78 PolarHBondContact O-N 3.4Å; F38-F90 AromaticContact CE1-CE1 3.7Å; F38-F90 HydrophobicContact CE1-CE1 3.7Å; F38-F90 HydrophobicContact CE1-CZ 4.03Å; F38-F90 HydrophobicContact CZ-CE1 4.33Å; F38-F90 HydrophobicContact CZ-CZ 4.26Å; F38-L94 HydrophobicContact CD1-CD1 4.48Å; F38-L94 HydrophobicContact CD1-CD2 4.17Å; F38-L94 HydrophobicContact CE1-CD2 3.97Å; F38-P121 HydrophobicContact CE2-CB 3.73Å; F38-P121 HydrophobicContact CZ-CB 4.37Å; F38-V123 HydrophobicContact CD2-CG2 3.6Å; F38-V123 HydrophobicContact CE2-CG2 4.2Å; F38-V123 HydrophobicContact CG-CG2 4.44Å |
| 39 | F | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 115.3 | 174.2 | -61.8 | -92.6 | 0 | 0 | 0 | 109 | L37 I78 L80 L111 F115 V117 T122 V124 | L37-F39 HydrophobicContact CB-CD2 4.36Å; L37-F39 HydrophobicContact CB-CE2 3.66Å; L37-F39 HydrophobicContact CB-CZ 4.27Å; L37-F39 HydrophobicContact CD1-CE2 4.38Å; L37-F39 HydrophobicContact CD1-CZ 4.37Å; F39-I78 HydrophobicContact CD1-CB 3.9Å; F39-I78 HydrophobicContact CD1-CD1 4.08Å; F39-I78 HydrophobicContact CD1-CG2 3.83Å; F39-I78 HydrophobicContact CE1-CB 4.03Å; F39-I78 HydrophobicContact CE1-CD1 3.45Å; F39-I78 VanDerWaalsContact CE1-CD1 3.45Å; F39-I78 HydrophobicContact CE1-CG1 4.36Å; F39-I78 HydrophobicContact CE1-CG2 3.81Å; F39-I78 HydrophobicContact CE2-CD1 4.01Å; F39-I78 HydrophobicContact CZ-CD1 3.41Å; F39-I78 VanDerWaalsContact CZ-CD1 3.41Å; F39-L80 HydrophobicContact CB-CD1 4.36Å; F39-L80 HydrophobicContact CD1-CD2 4.35Å; F39-L111 HydrophobicContact CE1-CB 3.97Å; F39-L111 HydrophobicContact CZ-CB 4.08Å; F39-F115 HydrophobicContact CE2-CD2 4.45Å; F39-F115 AromaticContact CZ-CD2 3.98Å; F39-F115 HydrophobicContact CZ-CD2 3.98Å; F39-V117 HydrophobicContact CB-CG1 4Å; F39-V117 HydrophobicContact CD1-CG2 4.1Å; F39-V117 HydrophobicContact CD2-CG2 3.79Å; F39-V117 HydrophobicContact CE1-CG2 4.16Å; F39-V117 HydrophobicContact CE2-CG2 3.86Å; F39-V117 HydrophobicContact CG-CG1 4.19Å; F39-V117 HydrophobicContact CG-CG2 3.91Å; F39-V117 HydrophobicContact CZ-CG2 4.03Å; F39-T122 PolarHBondContact N-O 2.91Å; F39-T122 PolarHBondContact O-N 2.74Å; F39-V124 HydrophobicContact CD2-CG2 4.1Å; F39-V124 HydrophobicContact CE2-CB 4.42Å; F39-V124 HydrophobicContact CE2-CG2 3.65Å |
| 40 | A | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 165.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F38 C47 Y77 I78 L80 F90 | F38-A40 HydrophobicContact CD1-CB 4.34Å; F38-A40 HydrophobicContact CD2-CB 4.36Å; F38-A40 HydrophobicContact CE1-CB 3.72Å; F38-A40 HydrophobicContact CE2-CB 3.75Å; F38-A40 HydrophobicContact CZ-CB 3.4Å; A40-C47 HydrophobicContact CB-CB 3.99Å; A40-Y77 HydrophobicContact CB-CE2 3.96Å; A40-I78 PolarHBondContact N-O 3.36Å; A40-L80 PolarHBondContact O-N 2.93Å; A40-F90 HydrophobicContact CB-CE1 4.03Å; A40-F90 HydrophobicContact CB-CZ 4.14Å |
| 41 | S | 92.1 | Very high | 91.4 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | trans | -134.5 | 141.5 | 174.8 | 168.6 | 0 | 0 | 0 | 0 | 109.6 | E43 S44 C47 D81 | S41-E43 VanDerWaalsContact C-N 3.27Å; S41-E43 PolarHBondContact O-N 3.21Å; S41-E43 PolarHBondContact OG-N 3.06Å; S41-S44 WeakPolarHBondContact O-CB 3.24Å; S41-S44 PolarHBondContact O-N 3.33Å; S41-C47 WeakPolarHBondContact O-CB 3.42Å; S41-D81 WeakPolarHBondContact CA-OD1 3.1Å; S41-D81 VanDerWaalsContact CB-OD1 3.23Å; S41-D81 WeakPolarHBondContact CB-OD1 3.33Å; S41-D81 PolarHBondContact OG-OD1 2.94Å | ||
| 42 | A | 89.7 | Confident | 91.9 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 13% | 0.132 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -28.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S44 Q48 D81 E86 F90 | A42-S44 PolarHBondContact O-N 3.41Å; A42-Q48 PolarHBondContact O-NE2 3.12Å; A42-D81 PolarHBondContact N-OD1 3.38Å; A42-E86 HydrophobicContact CB-CB 3.87Å; A42-E86 HydrophobicContact CB-CG 4.26Å; A42-F90 HydrophobicContact CB-CB 4.07Å; A42-F90 HydrophobicContact CB-CD2 4.4Å |
| 43 | E | 88.8 | Confident | 92.5 | Very high | 149 Ų | 149 | 40.6 Ų | 40.6 | 70% | 0.696 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -23 | 177.2 | -168.9 | 179.5 | -175 | 0 | 0 | 112 | S41 | S41-E43 VanDerWaalsContact C-N 3.27Å; S41-E43 PolarHBondContact O-N 3.21Å; S41-E43 PolarHBondContact OG-N 3.06Å |
| 44 | S | 89.4 | Confident | 92.8 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 16% | 0.161 | 19% | 0.191 | C | C | . | . | trans | -84.6 | 116.9 | -175 | 175.6 | 0 | 0 | 0 | 0 | 112.8 | S41 A42 T46 C47 Q48 | S41-S44 WeakPolarHBondContact O-CB 3.24Å; S41-S44 PolarHBondContact O-N 3.33Å; A42-S44 PolarHBondContact O-N 3.41Å; S44-T46 VanDerWaalsContact C-N 3.26Å; S44-T46 PolarHBondContact O-N 2.95Å; S44-T46 PolarHBondContact OG-OG1 3.11Å; S44-C47 VanDerWaalsContact CB-SG 3.56Å; S44-C47 WeakPolarHBondContact O-CB 3.32Å; S44-C47 PolarHBondContact O-N 3.21Å; S44-C47 VanDerWaalsContact O-N 3.14Å; S44-C47 PolarHBondContact OG-N 3.15Å; S44-C47 PolarHBondContact OG-SG 2.85Å; S44-C47 VanDerWaalsContact OG-SG 3.4Å; S44-Q48 PolarHBondContact O-N 2.75Å | ||
| 45 | E | 90.4 | Very high | 92.8 | Very high | 121 Ų | 121 | 40.8 Ų | 40.8 | 57% | 0.565 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -59.5 | -34.5 | 174.6 | -68.6 | -170 | -170 | 0 | 0 | 113.2 | C47 Q48 R49 | E45-C47 VanDerWaalsContact C-N 3.3Å; E45-Q48 PolarHBondContact O-N 3.1Å; E45-R49 WeakPolarHBondContact O-CG 3.28Å; E45-R49 PolarHBondContact O-N 3.28Å; E45-R49 IonicContact OE2-CZ 3.15Å; E45-R49 IonicContact OE2-NH1 3.27Å; E45-R49 IonicContact OE2-NH2 3.91Å; E45-R49 PolarHBondContact OE2-NH2 2.92Å |
| 46 | T | 93.1 | Very high | 92.8 | Very high | 72 Ų | 72 | 44.4 Ų | 44.4 | 44% | 0.442 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.6 | -35.4 | 179.2 | 50.8 | 0 | 0 | 0 | 0 | 110.9 | S44 R49 F50 V120 P121 | S44-T46 VanDerWaalsContact C-N 3.26Å; S44-T46 PolarHBondContact O-N 2.95Å; S44-T46 PolarHBondContact OG-OG1 3.11Å; T46-R49 PolarHBondContact O-N 3.1Å; T46-F50 WeakPolarHBondContact O-CB 3.17Å; T46-F50 PolarHBondContact O-N 3.22Å; T46-F50 VanDerWaalsContact O-N 3.09Å; T46-V120 PolarHBondContact OG1-O 3.09Å; T46-P121 WeakPolarHBondContact OG1-CD 3.49Å |
| 47 | C | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66 | -45.5 | 174.5 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | A40 S41 S44 E45 R49 F50 A51 F90 | A40-C47 HydrophobicContact CB-CB 3.99Å; S41-C47 WeakPolarHBondContact O-CB 3.42Å; S44-C47 VanDerWaalsContact CB-SG 3.56Å; S44-C47 WeakPolarHBondContact O-CB 3.32Å; S44-C47 PolarHBondContact O-N 3.21Å; S44-C47 VanDerWaalsContact O-N 3.14Å; S44-C47 PolarHBondContact OG-N 3.15Å; S44-C47 PolarHBondContact OG-SG 2.85Å; S44-C47 VanDerWaalsContact OG-SG 3.4Å; E45-C47 VanDerWaalsContact C-N 3.3Å; C47-R49 VanDerWaalsContact C-N 3.31Å; C47-R49 PolarHBondContact O-N 3.31Å; C47-F50 PolarHBondContact O-N 2.63Å; C47-F50 VanDerWaalsContact O-N 3.12Å; C47-A51 WeakPolarHBondContact O-CB 3.34Å; C47-A51 PolarHBondContact O-N 3.06Å; C47-F90 HydrophobicContact CB-CE2 4.32Å; C47-F90 HydrophobicContact CB-CZ 4.23Å |
| 48 | Q | 91.3 | Very high | 92.6 | Very high | 96 Ų | 96 | 45 Ų | 45 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.1 | -38 | 177.3 | -65.9 | 177.3 | 11.9 | 0 | 0 | 112.3 | A42 S44 E45 P52 | A42-Q48 PolarHBondContact O-NE2 3.12Å; S44-Q48 PolarHBondContact O-N 2.75Å; E45-Q48 PolarHBondContact O-N 3.1Å; Q48-P52 WeakPolarHBondContact O-CD 3.31Å |
| 49 | R | 93.1 | Very high | 92.3 | Very high | 167 Ų | 167 | 48.5 Ų | 48.5 | 63% | 0.63 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -69.8 | -32.8 | 175.1 | -70.4 | -170.3 | -168 | 111.7 | 14.9 | 113 | E45 T46 C47 P52 | E45-R49 WeakPolarHBondContact O-CG 3.28Å; E45-R49 PolarHBondContact O-N 3.28Å; E45-R49 IonicContact OE2-CZ 3.15Å; E45-R49 IonicContact OE2-NH1 3.27Å; E45-R49 IonicContact OE2-NH2 3.91Å; E45-R49 PolarHBondContact OE2-NH2 2.92Å; T46-R49 PolarHBondContact O-N 3.1Å; C47-R49 VanDerWaalsContact C-N 3.31Å; C47-R49 PolarHBondContact O-N 3.31Å; R49-P52 WeakPolarHBondContact O-CD 3.05Å; R49-P52 WeakPolarHBondContact O-CG 3.46Å |
| 50 | F | 94.4 | Very high | 92 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -83.7 | -30.4 | -178 | -179.1 | -109.2 | 0 | 0 | 0 | 113.5 | F38 T46 C47 T53 L54 P121 V123 V138 I141 | F38-F50 HydrophobicContact CD2-CE1 4.45Å; F38-F50 AromaticContact CE2-CD1 3.75Å; F38-F50 HydrophobicContact CE2-CD1 3.75Å; F38-F50 AromaticContact CE2-CE1 3.85Å; F38-F50 HydrophobicContact CE2-CE1 3.85Å; F38-F50 AromaticContact CZ-CD1 3.97Å; F38-F50 HydrophobicContact CZ-CD1 3.97Å; F38-F50 HydrophobicContact CZ-CE1 4.36Å; T46-F50 WeakPolarHBondContact O-CB 3.17Å; T46-F50 PolarHBondContact O-N 3.22Å; T46-F50 VanDerWaalsContact O-N 3.09Å; C47-F50 PolarHBondContact O-N 2.63Å; C47-F50 VanDerWaalsContact O-N 3.12Å; F50-T53 HydrophobicContact CE2-CG2 4.47Å; F50-T53 WeakPolarHBondContact O-CA 3.5Å; F50-T53 WeakPolarHBondContact O-CB 3.4Å; F50-T53 PolarHBondContact O-N 3.49Å; F50-L54 HydrophobicContact CD1-CB 4.32Å; F50-L54 HydrophobicContact CE1-CB 3.89Å; F50-L54 HydrophobicContact CE1-CD1 4.32Å; F50-L54 HydrophobicContact CE1-CD2 4.15Å; F50-L54 HydrophobicContact CE1-CG 4.35Å; F50-L54 HydrophobicContact CZ-CB 4.21Å; F50-L54 HydrophobicContact CZ-CD1 4.39Å; F50-L54 PolarHBondContact O-N 3.41Å; F50-P121 HydrophobicContact CB-CG 3.97Å; F50-P121 HydrophobicContact CD1-CB 3.94Å; F50-P121 HydrophobicContact CD1-CG 4.11Å; F50-P121 HydrophobicContact CG-CB 4.46Å; F50-P121 HydrophobicContact CG-CG 4.14Å; F50-V123 HydrophobicContact CE1-CG2 3.72Å; F50-V123 HydrophobicContact CZ-CG2 4.09Å; F50-V138 HydrophobicContact CD1-CG2 4.49Å; F50-V138 HydrophobicContact CD2-CG1 3.98Å; F50-V138 HydrophobicContact CE1-CG2 3.97Å; F50-V138 HydrophobicContact CE2-CB 4.38Å; F50-V138 HydrophobicContact CE2-CG1 3.84Å; F50-V138 HydrophobicContact CE2-CG2 4.42Å; F50-V138 HydrophobicContact CG-CG1 4.45Å; F50-V138 HydrophobicContact CZ-CB 4.29Å; F50-V138 HydrophobicContact CZ-CG1 4.19Å; F50-V138 HydrophobicContact CZ-CG2 3.93Å; F50-I141 HydrophobicContact CE2-CB 4.43Å; F50-I141 HydrophobicContact CE2-CG2 4.21Å; F50-I141 HydrophobicContact CZ-CB 4.38Å; F50-I141 HydrophobicContact CZ-CD1 4.1Å; F50-I141 HydrophobicContact CZ-CG2 4.22Å |
| 51 | A | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -47.7 | -49.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C47 T53 L54 H55 F90 | C47-A51 WeakPolarHBondContact O-CB 3.34Å; C47-A51 PolarHBondContact O-N 3.06Å; A51-T53 VanDerWaalsContact C-N 3.34Å; A51-T53 PolarHBondContact O-N 3.01Å; A51-L54 PolarHBondContact O-N 2.9Å; A51-H55 WeakPolarHBondContact O-CB 3.04Å; A51-H55 PolarHBondContact O-N 2.83Å; A51-F90 HydrophobicContact CB-CE2 4.11Å; A51-F90 HydrophobicContact CB-CZ 3.89Å |
| 52 | P | 93.3 | Very high | 91.4 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 43% | 0.429 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 177.6 | 24.4 | -34.5 | 0 | 0 | 0 | 112.7 | Q48 R49 H55 D56 | Q48-P52 WeakPolarHBondContact O-CD 3.31Å; R49-P52 WeakPolarHBondContact O-CD 3.05Å; R49-P52 WeakPolarHBondContact O-CG 3.46Å; P52-H55 PolarHBondContact O-N 3.47Å; P52-D56 PolarHBondContact O-N 2.78Å |
| 53 | T | 94.2 | Very high | 91.1 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 34% | 0.344 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 175.6 | -55 | 0 | 0 | 0 | 0 | 111.2 | F50 A51 D56 F57 I141 | F50-T53 HydrophobicContact CE2-CG2 4.47Å; F50-T53 WeakPolarHBondContact O-CA 3.5Å; F50-T53 WeakPolarHBondContact O-CB 3.4Å; F50-T53 PolarHBondContact O-N 3.49Å; A51-T53 VanDerWaalsContact C-N 3.34Å; A51-T53 PolarHBondContact O-N 3.01Å; T53-D56 PolarHBondContact O-N 3.19Å; T53-F57 VanDerWaalsContact O-CB 3.24Å; T53-F57 WeakPolarHBondContact O-CB 3.41Å; T53-F57 PolarHBondContact O-N 3.34Å; T53-I141 HydrophobicContact CG2-CG2 4.37Å |
| 54 | L | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 176.5 | -177.4 | 64 | 0 | 0 | 0 | 111.8 | M36 F38 F50 A51 F57 F58 L75 L94 I141 | M36-L54 HydrophobicContact CE-CD1 3.73Å; F38-L54 HydrophobicContact CB-CD2 4.23Å; F38-L54 HydrophobicContact CD1-CD2 3.46Å; F38-L54 VanDerWaalsContact CD1-CD2 3.46Å; F38-L54 HydrophobicContact CD2-CD2 3.93Å; F38-L54 HydrophobicContact CE1-CD2 3.63Å; F38-L54 HydrophobicContact CE2-CD2 4.08Å; F38-L54 HydrophobicContact CG-CD2 3.61Å; F38-L54 HydrophobicContact CZ-CD2 3.94Å; F50-L54 HydrophobicContact CD1-CB 4.32Å; F50-L54 HydrophobicContact CE1-CB 3.89Å; F50-L54 HydrophobicContact CE1-CD1 4.32Å; F50-L54 HydrophobicContact CE1-CD2 4.15Å; F50-L54 HydrophobicContact CE1-CG 4.35Å; F50-L54 HydrophobicContact CZ-CB 4.21Å; F50-L54 HydrophobicContact CZ-CD1 4.39Å; F50-L54 PolarHBondContact O-N 3.41Å; A51-L54 PolarHBondContact O-N 2.9Å; L54-F57 HydrophobicContact CD1-CD1 4.4Å; L54-F57 PolarHBondContact O-N 2.93Å; L54-F58 WeakPolarHBondContact O-CB 3.43Å; L54-F58 PolarHBondContact O-N 3.17Å; L54-L75 HydrophobicContact CD2-CD1 4.2Å; L54-L75 HydrophobicContact CD2-CD2 4.35Å; L54-L75 HydrophobicContact CG-CD2 4.45Å; L54-L94 HydrophobicContact CD2-CD2 4.39Å; L54-I141 HydrophobicContact CD1-CD1 4.2Å |
| 55 | H | 92.1 | Very high | 90 | Very high | 60 Ų | 60 | 59.9 Ų | 59.9 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.3 | -50.5 | 176.4 | 172.3 | -83.5 | 0 | 0 | 0 | 111.2 | A51 P52 F58 K59 P95 | A51-H55 WeakPolarHBondContact O-CB 3.04Å; A51-H55 PolarHBondContact O-N 2.83Å; P52-H55 PolarHBondContact O-N 3.47Å; H55-F58 PolarHBondContact O-N 3.24Å; H55-K59 WeakPolarHBondContact O-CB 3.3Å; H55-K59 PolarHBondContact O-N 2.81Å; H55-P95 HydrophobicContact CB-CG 4.31Å |
| 56 | D | 92.1 | Very high | 89.4 | Confident | 81 Ų | 81 | 59.3 Ų | 59.3 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | -178.9 | -73 | -12 | 0 | 0 | 0 | 112.1 | P52 T53 K59 Q60 | P52-D56 PolarHBondContact O-N 2.78Å; T53-D56 PolarHBondContact O-N 3.19Å; D56-K59 PolarHBondContact O-N 3.15Å; D56-Q60 WeakPolarHBondContact O-CB 3.04Å; D56-Q60 VanDerWaalsContact O-CG 3.25Å; D56-Q60 WeakPolarHBondContact O-CG 3.3Å; D56-Q60 PolarHBondContact O-N 3.22Å |
| 57 | F | 93.6 | Very high | 88.6 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.5 | -52.1 | 172.2 | 169.8 | -97.6 | 0 | 0 | 0 | 111.4 | M36 T53 L54 K59 Q60 L61 L73 I141 G145 C148 W152 | M36-F57 HydrophobicContact CE-CD1 4.24Å; M36-F57 HydrophobicContact CE-CE1 3.73Å; M36-F57 HydrophobicContact SD-CE1 3.86Å; T53-F57 VanDerWaalsContact O-CB 3.24Å; T53-F57 WeakPolarHBondContact O-CB 3.41Å; T53-F57 PolarHBondContact O-N 3.34Å; L54-F57 HydrophobicContact CD1-CD1 4.4Å; L54-F57 PolarHBondContact O-N 2.93Å; F57-K59 VanDerWaalsContact C-N 3.33Å; F57-K59 PolarHBondContact O-N 3.35Å; F57-Q60 PolarHBondContact O-N 3.05Å; F57-L61 HydrophobicContact CD1-CD1 4.19Å; F57-L61 HydrophobicContact CD2-CD1 4.21Å; F57-L61 HydrophobicContact CE1-CD1 3.59Å; F57-L61 HydrophobicContact CE2-CD1 3.62Å; F57-L61 HydrophobicContact CG-CD1 4.47Å; F57-L61 HydrophobicContact CZ-CD1 3.29Å; F57-L61 WeakPolarHBondContact O-CG 3.44Å; F57-L61 PolarHBondContact O-N 3.04Å; F57-L73 HydrophobicContact CE1-CD2 4.34Å; F57-I141 HydrophobicContact CB-CG2 3.99Å; F57-I141 HydrophobicContact CD1-CG2 4.32Å; F57-I141 HydrophobicContact CD2-CG2 4Å; F57-I141 HydrophobicContact CE1-CG1 4.38Å; F57-I141 HydrophobicContact CE2-CG1 4.42Å; F57-I141 HydrophobicContact CG-CG2 3.84Å; F57-I141 HydrophobicContact CZ-CG1 4.29Å; F57-G145 VanDerWaalsContact CE2-O 3.31Å; F57-G145 WeakPolarHBondContact CE2-O 3.21Å; F57-C148 WeakPolarHBondContact CE2-SG 3.29Å; F57-W152 HydrophobicContact CE1-CH2 4.47Å; F57-W152 HydrophobicContact CE1-CZ3 4.18Å; F57-W152 AromaticContact CZ-CH2 3.97Å; F57-W152 HydrophobicContact CZ-CH2 3.97Å; F57-W152 AromaticContact CZ-CZ3 3.72Å; F57-W152 HydrophobicContact CZ-CZ3 3.72Å |
| 58 | F | 91.3 | Very high | 87.4 | Confident | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.8 | -39.3 | -179.1 | -172.2 | -91.1 | 0 | 0 | 0 | 111.7 | L54 H55 L61 T62 L73 L75 P95 K97 | L54-F58 WeakPolarHBondContact O-CB 3.43Å; L54-F58 PolarHBondContact O-N 3.17Å; H55-F58 PolarHBondContact O-N 3.24Å; F58-L61 PolarHBondContact O-N 3.35Å; F58-T62 HydrophobicContact CD1-CG2 4.2Å; F58-T62 HydrophobicContact CD2-CG2 4.44Å; F58-T62 HydrophobicContact CE1-CG2 3.79Å; F58-T62 WeakPolarHBondContact CE1-OG1 3.15Å; F58-T62 HydrophobicContact CE2-CG2 4.07Å; F58-T62 HydrophobicContact CZ-CG2 3.74Å; F58-T62 WeakPolarHBondContact O-CB 3.23Å; F58-T62 WeakPolarHBondContact O-CG2 3.1Å; F58-T62 PolarHBondContact O-N 3.16Å; F58-T62 VanDerWaalsContact O-N 3.1Å; F58-T62 PolarHBondContact O-OG1 3.18Å; F58-L73 HydrophobicContact CD2-CD2 3.71Å; F58-L73 HydrophobicContact CD2-CG 4.44Å; F58-L73 HydrophobicContact CE2-CD2 3.9Å; F58-L73 HydrophobicContact CE2-CG 4.18Å; F58-L75 HydrophobicContact CD2-CB 3.77Å; F58-L75 HydrophobicContact CD2-CD2 4.29Å; F58-L75 HydrophobicContact CE2-CB 3.56Å; F58-L75 HydrophobicContact CG-CD2 4.41Å; F58-L75 HydrophobicContact CZ-CB 4.23Å; F58-P95 HydrophobicContact CB-CG 4.04Å; F58-P95 HydrophobicContact CD1-CB 3.79Å; F58-P95 HydrophobicContact CD1-CG 3.86Å; F58-P95 HydrophobicContact CE1-CB 4.28Å; F58-P95 HydrophobicContact CG-CG 4.16Å; F58-K97 HydrophobicContact CE1-CB 3.91Å; F58-K97 HydrophobicContact CZ-CB 4.43Å |
| 59 | K | 90 | Very high | 86.5 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 177.4 | -169.3 | -172.5 | -176.5 | -158.4 | 0 | 111.5 | H55 D56 F57 L61 T62 D63 Y66 | H55-K59 WeakPolarHBondContact O-CB 3.3Å; H55-K59 PolarHBondContact O-N 2.81Å; D56-K59 PolarHBondContact O-N 3.15Å; F57-K59 VanDerWaalsContact C-N 3.33Å; F57-K59 PolarHBondContact O-N 3.35Å; K59-L61 PolarHBondContact O-N 3.34Å; K59-T62 PolarHBondContact O-N 3.34Å; K59-T62 VanDerWaalsContact O-N 3.14Å; K59-D63 WeakPolarHBondContact CE-OD2 3.38Å; K59-D63 HydrophobicContact CG-CB 3.93Å; K59-D63 WeakPolarHBondContact O-CB 3.17Å; K59-D63 PolarHBondContact O-N 2.6Å; K59-Y66 HydrophobicContact CD-CE2 3.98Å; K59-Y66 HydrophobicContact CG-CE2 4.03Å |
| 60 | Q | 89.8 | Confident | 85.9 | Confident | 75 Ų | 75 | 62.7 Ų | 62.7 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.2 | -28.1 | 179.5 | -74.1 | 176.6 | 48.3 | 0 | 0 | 112.8 | D56 F57 Y66 V67 P146 | D56-Q60 WeakPolarHBondContact O-CB 3.04Å; D56-Q60 VanDerWaalsContact O-CG 3.25Å; D56-Q60 WeakPolarHBondContact O-CG 3.3Å; D56-Q60 PolarHBondContact O-N 3.22Å; F57-Q60 PolarHBondContact O-N 3.05Å; Q60-Y66 HydrophobicContact CG-CD1 3.99Å; Q60-Y66 HydrophobicContact CG-CE1 4.18Å; Q60-Y66 HydrophobicContact CG-CG 4.22Å; Q60-Y66 WeakPolarHBondContact O-CB 3.22Å; Q60-V67 WeakPolarHBondContact O-CG1 3.1Å; Q60-P146 HydrophobicContact CB-CG 3.92Å |
| 61 | L | 88.2 | Confident | 85.3 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -86.8 | -21.4 | 177.7 | -69.7 | 176.6 | 0 | 0 | 0 | 114.2 | F57 F58 K59 A71 L73 P146 Y149 | F57-L61 HydrophobicContact CD1-CD1 4.19Å; F57-L61 HydrophobicContact CD2-CD1 4.21Å; F57-L61 HydrophobicContact CE1-CD1 3.59Å; F57-L61 HydrophobicContact CE2-CD1 3.62Å; F57-L61 HydrophobicContact CG-CD1 4.47Å; F57-L61 HydrophobicContact CZ-CD1 3.29Å; F57-L61 WeakPolarHBondContact O-CG 3.44Å; F57-L61 PolarHBondContact O-N 3.04Å; F58-L61 PolarHBondContact O-N 3.35Å; K59-L61 PolarHBondContact O-N 3.34Å; L61-A71 HydrophobicContact CB-CB 3.87Å; L61-A71 VanDerWaalsContact O-CB 3.26Å; L61-A71 WeakPolarHBondContact O-CB 3.32Å; L61-A71 PolarHBondContact O-N 2.6Å; L61-L73 HydrophobicContact CD1-CD2 3.99Å; L61-P146 HydrophobicContact CD2-CB 3.94Å; L61-P146 HydrophobicContact CG-CB 4.32Å; L61-Y149 HydrophobicContact CD1-CD2 4.24Å; L61-Y149 HydrophobicContact CD1-CG 4.1Å; L61-Y149 HydrophobicContact CD2-CD1 4.16Å; L61-Y149 HydrophobicContact CD2-CG 4.03Å |
| 62 | T | 84.4 | Confident | 85 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -120.1 | -20 | -168.8 | 61.1 | 0 | 0 | 0 | 0 | 115.1 | F58 K59 S70 | F58-T62 HydrophobicContact CD1-CG2 4.2Å; F58-T62 HydrophobicContact CD2-CG2 4.44Å; F58-T62 HydrophobicContact CE1-CG2 3.79Å; F58-T62 WeakPolarHBondContact CE1-OG1 3.15Å; F58-T62 HydrophobicContact CE2-CG2 4.07Å; F58-T62 HydrophobicContact CZ-CG2 3.74Å; F58-T62 WeakPolarHBondContact O-CB 3.23Å; F58-T62 WeakPolarHBondContact O-CG2 3.1Å; F58-T62 PolarHBondContact O-N 3.16Å; F58-T62 VanDerWaalsContact O-N 3.1Å; F58-T62 PolarHBondContact O-OG1 3.18Å; K59-T62 PolarHBondContact O-N 3.34Å; K59-T62 VanDerWaalsContact O-N 3.14Å; T62-S70 PolarHBondContact O-OG 3.41Å |
| 63 | D | 83.1 | Confident | 84.8 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | trans | -88.1 | 131.9 | -176.9 | -174.4 | -17.3 | 0 | 0 | 0 | 110.9 | K59 F65 Y66 V67 | K59-D63 WeakPolarHBondContact CE-OD2 3.38Å; K59-D63 HydrophobicContact CG-CB 3.93Å; K59-D63 WeakPolarHBondContact O-CB 3.17Å; K59-D63 PolarHBondContact O-N 2.6Å; D63-F65 PolarHBondContact O-N 3.03Å; D63-F65 VanDerWaalsContact O-N 3.13Å; D63-F65 PolarHBondContact OD1-N 2.8Å; D63-Y66 HydrophobicContact CB-CD2 3.99Å; D63-Y66 HydrophobicContact CB-CE2 4.49Å; D63-Y66 PolarHBondContact O-N 3.44Å; D63-V67 WeakPolarHBondContact O-CG2 3.32Å; D63-V67 PolarHBondContact O-N 2.61Å | ||
| 64 | E | 78.1 | Confident | 84.6 | Confident | 125 Ų | 125 | 59.4 Ų | 59.4 | 58% | 0.584 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20 | -177.6 | -56 | -163.1 | 142.6 | 0 | 0 | 112.8 | Y66 V67 K166 | E64-Y66 VanDerWaalsContact C-N 3.29Å; E64-Y66 PolarHBondContact O-N 2.71Å; E64-V67 WeakPolarHBondContact CA-O 3.32Å; E64-K166 IonicContact OE1-NZ 3.81Å; E64-K166 PolarHBondContact OE1-NZ 3.06Å |
| 65 | F | 77.7 | Confident | 84.5 | Confident | 164 Ų | 164 | 59.4 Ų | 59.4 | 72% | 0.719 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -32.5 | 173.8 | -176.2 | -98.1 | 0 | 0 | 0 | 112.8 | D63 | D63-F65 PolarHBondContact O-N 3.03Å; D63-F65 VanDerWaalsContact O-N 3.13Å; D63-F65 PolarHBondContact OD1-N 2.8Å |
| 66 | Y | 77.2 | Confident | 84.5 | Confident | 110 Ų | 110 | 56.8 Ų | 56.8 | 43% | 0.431 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -30.1 | -175.8 | -62.7 | -86.4 | 0 | 0 | 0 | 112.7 | K59 Q60 D63 E64 | K59-Y66 HydrophobicContact CD-CE2 3.98Å; K59-Y66 HydrophobicContact CG-CE2 4.03Å; Q60-Y66 HydrophobicContact CG-CD1 3.99Å; Q60-Y66 HydrophobicContact CG-CE1 4.18Å; Q60-Y66 HydrophobicContact CG-CG 4.22Å; Q60-Y66 WeakPolarHBondContact O-CB 3.22Å; D63-Y66 HydrophobicContact CB-CD2 3.99Å; D63-Y66 HydrophobicContact CB-CE2 4.49Å; D63-Y66 PolarHBondContact O-N 3.44Å; E64-Y66 VanDerWaalsContact C-N 3.29Å; E64-Y66 PolarHBondContact O-N 2.71Å |
| 67 | V | 76.5 | Confident | 84.6 | Confident | 42 Ų | 42 | 53 Ų | 53 | 26% | 0.255 | 25% | 0.248 | S | C | . | . | trans | -134 | 136.3 | -176 | -70.5 | 0 | 0 | 0 | 0 | 111.5 | Q60 D63 E64 R69 | Q60-V67 WeakPolarHBondContact O-CG1 3.1Å; D63-V67 WeakPolarHBondContact O-CG2 3.32Å; D63-V67 PolarHBondContact O-N 2.61Å; E64-V67 WeakPolarHBondContact CA-O 3.32Å; V67-R69 WeakPolarHBondContact CG2-O 3.47Å; V67-R69 PolarHBondContact O-N 3.08Å | ||
| 68 | E | 69.4 | Low | 84.6 | Confident | 190 Ų | 190 | 52.7 Ų | 52.7 | 89% | 0.888 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -61.4 | -30.2 | 173 | -64.2 | -178 | 174.1 | 0 | 0 | 111.7 | ||
| 69 | R | 71.2 | Confident | 84.7 | Confident | 129 Ų | 129 | 52.5 Ų | 52.5 | 49% | 0.487 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -132.7 | 120.5 | 179.7 | -166.9 | -172.5 | -63.6 | -102 | 3.1 | 110.4 | V67 N162 | V67-R69 WeakPolarHBondContact CG2-O 3.47Å; V67-R69 PolarHBondContact O-N 3.08Å; R69-N162 WeakPolarHBondContact CD-ND2 3.47Å; R69-N162 VanDerWaalsContact CZ-CG 3.42Å; R69-N162 VanDerWaalsContact CZ-ND2 3.34Å; R69-N162 PolarHBondContact NE-ND2 3.48Å; R69-N162 PolarHBondContact NH1-ND2 3.02Å; R69-N162 PolarHBondContact NH1-OD1 2.94Å |
| 70 | S | 79.9 | Confident | 84.8 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 32% | 0.315 | 24% | 0.236 | S | C | . | . | trans | -60.2 | 135.8 | 174.6 | -51.3 | 0 | 0 | 0 | 0 | 111.3 | T62 | T62-S70 PolarHBondContact O-OG 3.41Š| ||
| 71 | A | 83.1 | Confident | 84.8 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | trans | -57.1 | 145.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | L61 L73 Y149 | L61-A71 HydrophobicContact CB-CB 3.87Å; L61-A71 VanDerWaalsContact O-CB 3.26Å; L61-A71 WeakPolarHBondContact O-CB 3.32Å; L61-A71 PolarHBondContact O-N 2.6Å; A71-L73 HydrophobicContact CB-CB 4.2Å; A71-L73 PolarHBondContact O-N 3.24Å; A71-Y149 HydrophobicContact CB-CD1 4.35Å; A71-Y149 HydrophobicContact CB-CD2 4.38Å; A71-Y149 HydrophobicContact CB-CE1 3.81Å; A71-Y149 HydrophobicContact CB-CE2 3.83Å | ||
| 72 | Q | 85.6 | Confident | 84.7 | Confident | 30 Ų | 30 | 53.2 Ų | 53.2 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -81.5 | 68.9 | 173.7 | -70.1 | 179.1 | 1.5 | 0 | 0 | 108.8 | N32 R33 L34 Y149 | N32-Q72 PolarHBondContact ND2-OE1 2.88Å; N32-Q72 PolarHBondContact O-OE1 3.21Å; R33-Q72 CarbonylContact C-O 3.59Å; R33-Q72 VanDerWaalsContact CA-O 3.29Å; R33-Q72 WeakPolarHBondContact CA-O 3.31Å; R33-Q72 HydrophobicContact CB-CB 4.44Å; R33-Q72 WeakPolarHBondContact CB-O 3.39Å; R33-Q72 HydrophobicContact CG-CB 4.09Å; L34-Q72 PolarHBondContact N-O 3.41Å; Q72-Y149 PolarHBondContact N-OH 3.42Å |
| 73 | L | 88.4 | Confident | 85 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.6 | -173 | -172.7 | 73 | 0 | 0 | 0 | 110.3 | L34 M36 F57 F58 L61 A71 Y149 | L34-L73 HydrophobicContact CB-CD1 3.86Å; L34-L73 CarbonylContact O-C 3.52Å; L34-L73 WeakPolarHBondContact O-CA 3.46Å; M36-L73 HydrophobicContact CG-CD1 3.66Å; M36-L73 HydrophobicContact CG-CG 4.36Å; M36-L73 HydrophobicContact SD-CD1 3.57Å; M36-L73 VanDerWaalsContact SD-CD1 3.57Å; M36-L73 HydrophobicContact SD-CD2 3.62Å; M36-L73 HydrophobicContact SD-CG 3.86Å; F57-L73 HydrophobicContact CE1-CD2 4.34Å; F58-L73 HydrophobicContact CD2-CD2 3.71Å; F58-L73 HydrophobicContact CD2-CG 4.44Å; F58-L73 HydrophobicContact CE2-CD2 3.9Å; F58-L73 HydrophobicContact CE2-CG 4.18Å; L61-L73 HydrophobicContact CD1-CD2 3.99Å; A71-L73 HydrophobicContact CB-CB 4.2Å; A71-L73 PolarHBondContact O-N 3.24Å; L73-Y149 HydrophobicContact CB-CE2 4.36Å; L73-Y149 HydrophobicContact CD1-CD2 4.48Å; L73-Y149 HydrophobicContact CD1-CE2 4.4Å |
| 74 | V | 90.3 | Very high | 85.4 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.9 | 170.7 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | L30 R33 L34 L35 M36 L99 | L30-V74 HydrophobicContact CD2-CB 4.25Å; L30-V74 HydrophobicContact CD2-CG1 3.89Å; L30-V74 HydrophobicContact CD2-CG2 4.3Å; R33-V74 HydrophobicContact CB-CG2 4.09Å; R33-V74 HydrophobicContact CG-CG2 4.45Å; L34-V74 PolarHBondContact O-N 2.74Å; L35-V74 HydrophobicContact CD2-CB 3.79Å; L35-V74 HydrophobicContact CD2-CG1 4.48Å; L35-V74 HydrophobicContact CD2-CG2 4.15Å; M36-V74 PolarHBondContact N-O 3.23Å; V74-L99 HydrophobicContact CG1-CD1 3.87Å; V74-L99 HydrophobicContact CG1-CG 4.36Å |
| 75 | L | 92.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 118.4 | 173 | 176.9 | 61.3 | 0 | 0 | 0 | 109 | M36 F38 L54 F58 P95 S98 L99 | M36-L75 HydrophobicContact CB-CD1 4.03Å; F38-L75 HydrophobicContact CB-CD1 3.89Å; L54-L75 HydrophobicContact CD2-CD1 4.2Å; L54-L75 HydrophobicContact CD2-CD2 4.35Å; L54-L75 HydrophobicContact CG-CD2 4.45Å; F58-L75 HydrophobicContact CD2-CB 3.77Å; F58-L75 HydrophobicContact CD2-CD2 4.29Å; F58-L75 HydrophobicContact CE2-CB 3.56Å; F58-L75 HydrophobicContact CG-CD2 4.41Å; F58-L75 HydrophobicContact CZ-CB 4.23Å; L75-P95 HydrophobicContact CD2-CG 4.16Å; L75-S98 WeakPolarHBondContact O-CA 3.4Å; L75-L99 PolarHBondContact O-N 3.27Å |
| 76 | L | 92.7 | Very high | 86.5 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118.5 | 171.2 | -174.9 | 70.5 | 0 | 0 | 0 | 109.1 | F5 L10 M36 L37 F38 I78 L99 | F5-L76 HydrophobicContact CD1-CD2 4.35Å; F5-L76 HydrophobicContact CE1-CD2 3.37Å; F5-L76 HydrophobicContact CE2-CD2 4.02Å; F5-L76 HydrophobicContact CZ-CD2 3.18Å; L10-L76 HydrophobicContact CD1-CD1 4.23Å; L10-L76 HydrophobicContact CD2-CD1 3.8Å; L10-L76 HydrophobicContact CD2-CD2 4.32Å; M36-L76 PolarHBondContact O-N 3.11Å; L37-L76 HydrophobicContact CD2-CB 3.9Å; L37-L76 HydrophobicContact CD2-CD2 3.71Å; L37-L76 HydrophobicContact CD2-CG 4.32Å; F38-L76 PolarHBondContact N-O 2.83Å; L76-I78 HydrophobicContact CD2-CG1 4.44Å; L76-I78 HydrophobicContact CG-CG1 4.45Å; L76-L99 CarbonylContact C-O 3.57Å; L76-L99 WeakPolarHBondContact CA-O 3.47Å; L76-L99 HydrophobicContact CD1-CB 3.53Å |
| 77 | Y | 94.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129 | 174.4 | 174.8 | -129.6 | 0 | 0 | 0 | 110.9 | F38 A40 D81 L87 F90 L91 L94 L99 F100 L101 | F38-Y77 AromaticContact CD1-CD2 3.69Å; F38-Y77 HydrophobicContact CD1-CD2 3.69Å; F38-Y77 HydrophobicContact CD1-CE2 4.3Å; F38-Y77 HydrophobicContact CE1-CD2 4.29Å; F38-Y77 HydrophobicContact CE1-CE2 4.5Å; F38-Y77 HydrophobicContact CG-CD2 4.39Å; F38-Y77 WeakPolarHBondContact O-CD2 3.48Å; A40-Y77 HydrophobicContact CB-CE2 3.96Å; Y77-D81 PolarHBondContact OH-OD2 2.98Å; Y77-L87 HydrophobicContact CD1-CD1 4.03Å; Y77-L87 HydrophobicContact CE1-CD1 3.47Å; Y77-L87 VanDerWaalsContact CE1-CD1 3.47Å; Y77-F90 AromaticContact CE1-CD1 3.88Å; Y77-F90 HydrophobicContact CE1-CD1 3.88Å; Y77-F90 AromaticContact CE2-CD1 3.86Å; Y77-F90 HydrophobicContact CE2-CD1 3.86Å; Y77-F90 AromaticContact CE2-CE1 3.84Å; Y77-F90 HydrophobicContact CE2-CE1 3.84Å; Y77-F90 AromaticContact CZ-CD1 3.4Å; Y77-F90 VanDerWaalsContact CZ-CD1 3.4Å; Y77-F90 AromaticContact CZ-CE1 3.9Å; Y77-F90 VanDerWaalsContact OH-CD1 3.27Å; Y77-F90 WeakPolarHBondContact OH-CD1 3.48Å; Y77-L91 HydrophobicContact CD1-CD2 3.6Å; Y77-L91 HydrophobicContact CD1-CG 4.15Å; Y77-L91 HydrophobicContact CE1-CD2 4.15Å; Y77-L91 HydrophobicContact CE1-CG 4.2Å; Y77-L94 HydrophobicContact CD1-CD1 3.59Å; Y77-L94 HydrophobicContact CD2-CD1 3.89Å; Y77-L94 HydrophobicContact CE1-CD1 4.12Å; Y77-L94 HydrophobicContact CE2-CD1 4.47Å; Y77-L94 HydrophobicContact CG-CD1 3.43Å; Y77-L94 VanDerWaalsContact CG-CD1 3.43Å; Y77-L99 PolarHBondContact N-O 2.92Å; Y77-F100 HydrophobicContact CD1-CB 4.29Å; Y77-F100 VanDerWaalsContact O-CA 3.29Å; Y77-F100 WeakPolarHBondContact O-CA 3.41Å; Y77-L101 PolarHBondContact O-N 3.26Å |
| 78 | I | 93.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 103.2 | 177.2 | -56.8 | 164.8 | 0 | 0 | 0 | 106.5 | L37 F38 F39 A40 L76 L101 R108 L111 | L37-I78 HydrophobicContact CB-CD1 3.96Å; L37-I78 HydrophobicContact CD1-CD1 4.3Å; L37-I78 HydrophobicContact CD2-CD1 4.32Å; L37-I78 HydrophobicContact CG-CD1 4.44Å; F38-I78 PolarHBondContact O-N 3.4Å; F39-I78 HydrophobicContact CD1-CB 3.9Å; F39-I78 HydrophobicContact CD1-CD1 4.08Å; F39-I78 HydrophobicContact CD1-CG2 3.83Å; F39-I78 HydrophobicContact CE1-CB 4.03Å; F39-I78 HydrophobicContact CE1-CD1 3.45Å; F39-I78 VanDerWaalsContact CE1-CD1 3.45Å; F39-I78 HydrophobicContact CE1-CG1 4.36Å; F39-I78 HydrophobicContact CE1-CG2 3.81Å; F39-I78 HydrophobicContact CE2-CD1 4.01Å; F39-I78 HydrophobicContact CZ-CD1 3.41Å; F39-I78 VanDerWaalsContact CZ-CD1 3.41Å; A40-I78 PolarHBondContact N-O 3.36Å; L76-I78 HydrophobicContact CD2-CG1 4.44Å; L76-I78 HydrophobicContact CG-CG1 4.45Å; I78-L101 HydrophobicContact CG1-CD1 4.3Å; I78-R108 HydrophobicContact CG2-CB 4.04Å; I78-R108 HydrophobicContact CG2-CG 4.28Å; I78-L111 HydrophobicContact CD1-CB 4.19Å; I78-L111 HydrophobicContact CD1-CD1 3.63Å; I78-L111 HydrophobicContact CD1-CG 4.49Å; I78-L111 HydrophobicContact CG1-CD1 4.25Å |
| 79 | S | 93 | Very high | 88.6 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 133 | 175.5 | 164.9 | 0 | 0 | 0 | 0 | 110.6 | D81 R108 | S79-D81 WeakPolarHBondContact OG-CB 3.45Å; S79-D81 VanDerWaalsContact OG-CG 3.27Å; S79-D81 PolarHBondContact OG-N 3.17Å; S79-D81 VanDerWaalsContact OG-N 3.08Å; S79-D81 PolarHBondContact OG-OD2 3.45Å; S79-R108 PolarHBondContact O-NH1 2.92Å |
| 80 | L | 91.4 | Very high | 89.5 | Confident | 20 Ų | 20 | 38 Ų | 38 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | trans | -101.2 | 10.7 | 168.7 | -58.5 | -174.9 | 0 | 0 | 0 | 112.4 | F39 A40 R109 E112 V120 | F39-L80 HydrophobicContact CB-CD1 4.36Å; F39-L80 HydrophobicContact CD1-CD2 4.35Å; A40-L80 PolarHBondContact O-N 2.93Å; L80-R109 PolarHBondContact O-NH2 2.82Å; L80-E112 HydrophobicContact CD1-CG 4.26Å; L80-E112 HydrophobicContact CD2-CB 4.07Å; L80-E112 HydrophobicContact CD2-CG 4.13Å; L80-V120 HydrophobicContact CD1-CG1 3.7Å | ||
| 81 | D | 90.3 | Very high | 90 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | trans | -66.4 | 159.9 | -177.5 | -59.6 | -62.7 | 0 | 0 | 0 | 112.9 | S41 A42 Y77 S79 E86 | S41-D81 WeakPolarHBondContact CA-OD1 3.1Å; S41-D81 VanDerWaalsContact CB-OD1 3.23Å; S41-D81 WeakPolarHBondContact CB-OD1 3.33Å; S41-D81 PolarHBondContact OG-OD1 2.94Å; A42-D81 PolarHBondContact N-OD1 3.38Å; Y77-D81 PolarHBondContact OH-OD2 2.98Å; S79-D81 WeakPolarHBondContact OG-CB 3.45Å; S79-D81 VanDerWaalsContact OG-CG 3.27Å; S79-D81 PolarHBondContact OG-N 3.17Å; S79-D81 VanDerWaalsContact OG-N 3.08Å; S79-D81 PolarHBondContact OG-OD2 3.45Å; D81-E86 HydrophobicContact CB-CB 3.86Å | ||
| 82 | Q | 87 | Confident | 90.2 | Very high | 157 Ų | 157 | 42.4 Ų | 42.4 | 73% | 0.734 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -98.3 | -4.5 | -179.8 | -60.3 | -174.3 | 18.4 | 0 | 0 | 112.8 | E86 Y103 | Q82-E86 PolarHBondContact N-OE2 2.98Å; Q82-Y103 PolarHBondContact O-OH 3.34Å |
| 83 | S | 90.4 | Very high | 90.3 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 26% | 0.259 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -137.3 | 151.4 | 174.9 | 71.4 | 0 | 0 | 0 | 0 | 112.6 | E85 E86 L87 | S83-E85 VanDerWaalsContact C-N 3.33Å; S83-E86 PolarHBondContact N-OE2 2.89Å; S83-E86 VanDerWaalsContact N-OE2 3.1Å; S83-E86 WeakPolarHBondContact OG-CB 3.44Å; S83-E86 WeakPolarHBondContact OG-CG 3.37Å; S83-E86 PolarHBondContact OG-N 2.7Å; S83-E86 PolarHBondContact OG-OE2 2.88Å; S83-L87 PolarHBondContact O-N 3.45Å |
| 84 | E | 90.1 | Very high | 90.3 | Very high | 94 Ų | 94 | 45.4 Ų | 45.4 | 44% | 0.439 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.3 | -36 | 173.9 | -172.1 | 178.6 | -166.5 | 0 | 0 | 111.4 | E86 L87 E88 Y103 | E84-E86 VanDerWaalsContact C-N 3.32Å; E84-E86 PolarHBondContact O-N 2.81Å; E84-L87 WeakPolarHBondContact O-CB 3.48Å; E84-L87 PolarHBondContact O-N 3.03Å; E84-E88 PolarHBondContact O-N 2.72Å; E84-Y103 HydrophobicContact CB-CD1 4Å; E84-Y103 HydrophobicContact CB-CG 4.02Å; E84-Y103 HydrophobicContact CG-CG 4.44Å |
| 85 | E | 89.5 | Confident | 90.1 | Very high | 146 Ų | 146 | 45.1 Ų | 45.1 | 68% | 0.682 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -62.3 | -38.3 | 178.5 | -62.6 | -173.9 | 177.9 | 0 | 0 | 112.4 | S83 N89 | S83-E85 VanDerWaalsContact C-N 3.33Å; E85-N89 WeakPolarHBondContact O-CB 3.34Å; E85-N89 PolarHBondContact O-N 3.08Å; E85-N89 PolarHBondContact O-ND2 2.77Å |
| 86 | E | 90.3 | Very high | 89.6 | Confident | 62 Ų | 62 | 51.9 Ų | 51.9 | 29% | 0.29 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64 | -45.9 | 174.7 | -78.1 | 161.4 | 164.7 | 0 | 0 | 111.6 | A42 D81 Q82 S83 E84 N89 F90 | A42-E86 HydrophobicContact CB-CB 3.87Å; A42-E86 HydrophobicContact CB-CG 4.26Å; D81-E86 HydrophobicContact CB-CB 3.86Å; Q82-E86 PolarHBondContact N-OE2 2.98Å; S83-E86 PolarHBondContact N-OE2 2.89Å; S83-E86 VanDerWaalsContact N-OE2 3.1Å; S83-E86 WeakPolarHBondContact OG-CB 3.44Å; S83-E86 WeakPolarHBondContact OG-CG 3.37Å; S83-E86 PolarHBondContact OG-N 2.7Å; S83-E86 PolarHBondContact OG-OE2 2.88Å; E84-E86 VanDerWaalsContact C-N 3.32Å; E84-E86 PolarHBondContact O-N 2.81Å; E86-N89 PolarHBondContact O-N 3.16Å; E86-F90 WeakPolarHBondContact O-CB 3.49Å; E86-F90 PolarHBondContact O-N 3.28Å |
| 87 | L | 90.4 | Very high | 89.1 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.8 | -52.7 | 174.5 | 166.6 | 71.3 | 0 | 0 | 0 | 110.6 | Y77 S83 E84 N89 F90 L91 F100 | Y77-L87 HydrophobicContact CD1-CD1 4.03Å; Y77-L87 HydrophobicContact CE1-CD1 3.47Å; Y77-L87 VanDerWaalsContact CE1-CD1 3.47Å; S83-L87 PolarHBondContact O-N 3.45Å; E84-L87 WeakPolarHBondContact O-CB 3.48Å; E84-L87 PolarHBondContact O-N 3.03Å; L87-N89 VanDerWaalsContact C-N 3.32Å; L87-N89 PolarHBondContact O-N 3.27Å; L87-F90 PolarHBondContact O-N 2.97Å; L87-L91 HydrophobicContact CD1-CD1 3.97Å; L87-L91 HydrophobicContact CD1-CG 4.13Å; L87-L91 HydrophobicContact CG-CD1 3.93Å; L87-L91 HydrophobicContact CG-CG 4.46Å; L87-L91 WeakPolarHBondContact O-CB 3.43Å; L87-L91 VanDerWaalsContact O-CG 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.41Å; L87-L91 PolarHBondContact O-N 3.34Å; L87-F100 HydrophobicContact CD2-CD2 4.5Å |
| 88 | E | 88.9 | Confident | 88.8 | Confident | 72 Ų | 72 | 57.8 Ų | 57.8 | 34% | 0.336 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.5 | -39.3 | -179.2 | -74.1 | -173.7 | 177 | 0 | 0 | 112.9 | E84 K92 | E84-E88 PolarHBondContact O-N 2.72Å; E88-K92 WeakPolarHBondContact O-CG 3.44Å |
| 89 | N | 88.9 | Confident | 88.6 | Confident | 84 Ų | 84 | 58 Ų | 58 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 179.2 | -76.1 | -34.3 | 0 | 0 | 0 | 111.5 | E85 E86 L87 K92 | E85-N89 WeakPolarHBondContact O-CB 3.34Å; E85-N89 PolarHBondContact O-N 3.08Å; E85-N89 PolarHBondContact O-ND2 2.77Å; E86-N89 PolarHBondContact O-N 3.16Å; L87-N89 VanDerWaalsContact C-N 3.32Å; L87-N89 PolarHBondContact O-N 3.27Å; N89-K92 WeakPolarHBondContact O-CB 3.27Å; N89-K92 PolarHBondContact O-N 3.04Å; N89-K92 PolarHBondContact OD1-NZ 3.25Å |
| 90 | F | 89.9 | Confident | 88.5 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 2% | 0.022 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.3 | -33.6 | 179.1 | -165.9 | -99.9 | 0 | 0 | 0 | 112.6 | F38 A40 A42 C47 A51 Y77 E86 L87 K92 E93 L94 | F38-F90 AromaticContact CE1-CE1 3.7Å; F38-F90 HydrophobicContact CE1-CE1 3.7Å; F38-F90 HydrophobicContact CE1-CZ 4.03Å; F38-F90 HydrophobicContact CZ-CE1 4.33Å; F38-F90 HydrophobicContact CZ-CZ 4.26Å; A40-F90 HydrophobicContact CB-CE1 4.03Å; A40-F90 HydrophobicContact CB-CZ 4.14Å; A42-F90 HydrophobicContact CB-CB 4.07Å; A42-F90 HydrophobicContact CB-CD2 4.4Å; C47-F90 HydrophobicContact CB-CE2 4.32Å; C47-F90 HydrophobicContact CB-CZ 4.23Å; A51-F90 HydrophobicContact CB-CE2 4.11Å; A51-F90 HydrophobicContact CB-CZ 3.89Å; Y77-F90 AromaticContact CE1-CD1 3.88Å; Y77-F90 HydrophobicContact CE1-CD1 3.88Å; Y77-F90 AromaticContact CE2-CD1 3.86Å; Y77-F90 HydrophobicContact CE2-CD1 3.86Å; Y77-F90 AromaticContact CE2-CE1 3.84Å; Y77-F90 HydrophobicContact CE2-CE1 3.84Å; Y77-F90 AromaticContact CZ-CD1 3.4Å; Y77-F90 VanDerWaalsContact CZ-CD1 3.4Å; Y77-F90 AromaticContact CZ-CE1 3.9Å; Y77-F90 VanDerWaalsContact OH-CD1 3.27Å; Y77-F90 WeakPolarHBondContact OH-CD1 3.48Å; E86-F90 WeakPolarHBondContact O-CB 3.49Å; E86-F90 PolarHBondContact O-N 3.28Å; L87-F90 PolarHBondContact O-N 2.97Å; F90-K92 PolarHBondContact O-N 3.17Å; F90-K92 VanDerWaalsContact O-N 3.13Å; F90-E93 WeakPolarHBondContact O-CB 3.35Å; F90-E93 PolarHBondContact O-N 2.65Å; F90-L94 HydrophobicContact CD1-CD1 4.17Å; F90-L94 HydrophobicContact CD1-CG 4.43Å; F90-L94 HydrophobicContact CE1-CD1 4.19Å; F90-L94 HydrophobicContact CE1-CD2 4.44Å; F90-L94 HydrophobicContact CE1-CG 4.33Å |
| 91 | L | 89.6 | Confident | 88.3 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.1 | -29.2 | 173.7 | -82.3 | 171.5 | 0 | 0 | 0 | 113.1 | N13 Y77 L87 E93 L94 F100 | N13-L91 HydrophobicContact CB-CD2 4.44Å; N13-L91 PolarHBondContact ND2-O 3.34Å; Y77-L91 HydrophobicContact CD1-CD2 3.6Å; Y77-L91 HydrophobicContact CD1-CG 4.15Å; Y77-L91 HydrophobicContact CE1-CD2 4.15Å; Y77-L91 HydrophobicContact CE1-CG 4.2Å; L87-L91 HydrophobicContact CD1-CD1 3.97Å; L87-L91 HydrophobicContact CD1-CG 4.13Å; L87-L91 HydrophobicContact CG-CD1 3.93Å; L87-L91 HydrophobicContact CG-CG 4.46Å; L87-L91 WeakPolarHBondContact O-CB 3.43Å; L87-L91 VanDerWaalsContact O-CG 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.41Å; L87-L91 PolarHBondContact O-N 3.34Å; L91-E93 PolarHBondContact O-N 3.36Å; L91-L94 HydrophobicContact CD2-CD1 4.41Å; L91-L94 PolarHBondContact O-N 3.24Å; L91-F100 HydrophobicContact CD1-CD1 4.17Å; L91-F100 HydrophobicContact CD1-CD2 3.9Å; L91-F100 HydrophobicContact CD1-CE1 4.06Å; L91-F100 HydrophobicContact CD1-CE2 3.79Å; L91-F100 HydrophobicContact CD1-CG 4.09Å; L91-F100 HydrophobicContact CD1-CZ 3.87Å; L91-F100 HydrophobicContact CD2-CB 4Å; L91-F100 HydrophobicContact CD2-CD1 3.84Å; L91-F100 HydrophobicContact CD2-CD2 4.43Å; L91-F100 HydrophobicContact CD2-CE1 4.41Å; L91-F100 HydrophobicContact CD2-CG 3.85Å |
| 92 | K | 88.1 | Confident | 88.2 | Confident | 146 Ų | 146 | 58.8 Ų | 58.8 | 64% | 0.635 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -25.3 | 177.4 | -64.9 | 163.5 | -167.9 | 163.4 | 0 | 113 | E88 N89 F90 | E88-K92 WeakPolarHBondContact O-CG 3.44Å; N89-K92 WeakPolarHBondContact O-CB 3.27Å; N89-K92 PolarHBondContact O-N 3.04Å; N89-K92 PolarHBondContact OD1-NZ 3.25Å; F90-K92 PolarHBondContact O-N 3.17Å; F90-K92 VanDerWaalsContact O-N 3.13Å |
| 93 | E | 86.9 | Confident | 88.1 | Confident | 95 Ų | 95 | 54.1 Ų | 54.1 | 44% | 0.444 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -18.4 | 178.2 | -57.2 | -168.9 | 165.6 | 0 | 0 | 112.3 | F90 L91 | F90-E93 WeakPolarHBondContact O-CB 3.35Å; F90-E93 PolarHBondContact O-N 2.65Å; L91-E93 PolarHBondContact O-N 3.36Å |
| 94 | L | 88.1 | Confident | 87.9 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -85.3 | 157.9 | -178.3 | -69.1 | 177.8 | 0 | 0 | 0 | 113 | F38 L54 Y77 F90 L91 K96 | F38-L94 HydrophobicContact CD1-CD1 4.48Å; F38-L94 HydrophobicContact CD1-CD2 4.17Å; F38-L94 HydrophobicContact CE1-CD2 3.97Å; L54-L94 HydrophobicContact CD2-CD2 4.39Å; Y77-L94 HydrophobicContact CD1-CD1 3.59Å; Y77-L94 HydrophobicContact CD2-CD1 3.89Å; Y77-L94 HydrophobicContact CE1-CD1 4.12Å; Y77-L94 HydrophobicContact CE2-CD1 4.47Å; Y77-L94 HydrophobicContact CG-CD1 3.43Å; Y77-L94 VanDerWaalsContact CG-CD1 3.43Å; F90-L94 HydrophobicContact CD1-CD1 4.17Å; F90-L94 HydrophobicContact CD1-CG 4.43Å; F90-L94 HydrophobicContact CE1-CD1 4.19Å; F90-L94 HydrophobicContact CE1-CD2 4.44Å; F90-L94 HydrophobicContact CE1-CG 4.33Å; L91-L94 HydrophobicContact CD2-CD1 4.41Å; L91-L94 PolarHBondContact O-N 3.24Å; L94-K96 PolarHBondContact O-N 3.36Å |
| 95 | P | 86.2 | Confident | 87.8 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 7% | 0.065 | 26% | 0.26 | C | S | . | . | trans | -60 | 136.8 | 175.6 | -22.3 | 32.2 | 0 | 0 | 0 | 111.7 | H55 F58 L75 K97 S98 | H55-P95 HydrophobicContact CB-CG 4.31Å; F58-P95 HydrophobicContact CB-CG 4.04Å; F58-P95 HydrophobicContact CD1-CB 3.79Å; F58-P95 HydrophobicContact CD1-CG 3.86Å; F58-P95 HydrophobicContact CE1-CB 4.28Å; F58-P95 HydrophobicContact CG-CG 4.16Å; L75-P95 HydrophobicContact CD2-CG 4.16Å; P95-K97 PolarHBondContact O-N 2.93Å; P95-S98 VanDerWaalsContact O-CB 3.24Å; P95-S98 WeakPolarHBondContact O-CB 3.35Å; P95-S98 PolarHBondContact O-N 2.89Å; P95-S98 PolarHBondContact O-OG 3.37Å | ||
| 96 | K | 82.4 | Confident | 87.8 | Confident | 141 Ų | 141 | 52.2 Ų | 52.2 | 61% | 0.613 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -16.5 | 177.1 | -63.4 | -178.8 | -179.8 | 172.9 | 0 | 115.1 | N13 L94 S98 | N13-K96 CarbonylContact O-C 3.54Å; N13-K96 WeakPolarHBondContact O-CA 3.25Å; L94-K96 PolarHBondContact O-N 3.36Å; K96-S98 VanDerWaalsContact C-N 3.28Å |
| 97 | K | 82.3 | Confident | 87.7 | Confident | 130 Ų | 130 | 49.8 Ų | 49.8 | 57% | 0.565 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -1.6 | 175.5 | -68.3 | -176.5 | -179.8 | -179.9 | 0 | 112.4 | F58 P95 | F58-K97 HydrophobicContact CE1-CB 3.91Å; F58-K97 HydrophobicContact CZ-CB 4.43Å; P95-K97 PolarHBondContact O-N 2.93Å |
| 98 | S | 87.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -73.4 | 150.1 | 174.2 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | N13 L75 P95 K96 | N13-S98 WeakPolarHBondContact CB-O 3.48Å; N13-S98 PolarHBondContact N-O 3.12Å; N13-S98 PolarHBondContact ND2-OG 2.83Å; L75-S98 WeakPolarHBondContact O-CA 3.4Å; P95-S98 VanDerWaalsContact O-CB 3.24Å; P95-S98 WeakPolarHBondContact O-CB 3.35Å; P95-S98 PolarHBondContact O-N 2.89Å; P95-S98 PolarHBondContact O-OG 3.37Å; K96-S98 VanDerWaalsContact C-N 3.28Å | ||
| 99 | L | 89.4 | Confident | 87.9 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 158.8 | 167.9 | -58.9 | 178.5 | 0 | 0 | 0 | 108.2 | L10 V11 K12 V74 L75 L76 Y77 | L10-L99 HydrophobicContact CD1-CD1 3.9Å; V11-L99 CarbonylContact O-C 3.56Å; V11-L99 WeakPolarHBondContact O-CA 3.29Å; K12-L99 HydrophobicContact CB-CD2 4.09Å; K12-L99 HydrophobicContact CG-CD2 4.4Å; V74-L99 HydrophobicContact CG1-CD1 3.87Å; V74-L99 HydrophobicContact CG1-CG 4.36Å; L75-L99 PolarHBondContact O-N 3.27Å; L76-L99 CarbonylContact C-O 3.57Å; L76-L99 WeakPolarHBondContact CA-O 3.47Å; L76-L99 HydrophobicContact CD1-CB 3.53Å; Y77-L99 PolarHBondContact N-O 2.92Å |
| 100 | F | 90.6 | Very high | 88.1 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 163.9 | 172.1 | 67.8 | -80.8 | 0 | 0 | 0 | 111.4 | V11 N13 Q17 Y77 L87 L91 | V11-F100 HydrophobicContact CB-CD1 4.07Å; V11-F100 HydrophobicContact CB-CD2 4.3Å; V11-F100 HydrophobicContact CB-CE1 3.61Å; V11-F100 HydrophobicContact CB-CE2 3.86Å; V11-F100 HydrophobicContact CB-CG 4.4Å; V11-F100 HydrophobicContact CB-CZ 3.5Å; V11-F100 HydrophobicContact CG1-CD1 4.45Å; V11-F100 HydrophobicContact CG1-CE1 3.53Å; V11-F100 HydrophobicContact CG1-CE2 4.13Å; V11-F100 HydrophobicContact CG1-CZ 3.34Å; V11-F100 HydrophobicContact CG2-CE2 4.35Å; V11-F100 HydrophobicContact CG2-CZ 4.36Å; V11-F100 PolarHBondContact N-O 3.23Å; V11-F100 WeakPolarHBondContact O-CD1 3.27Å; V11-F100 PolarHBondContact O-N 3.35Å; N13-F100 HydrophobicContact CB-CD1 4.25Å; N13-F100 HydrophobicContact CB-CE1 4.4Å; Q17-F100 HydrophobicContact CB-CZ 4.35Å; Q17-F100 HydrophobicContact CG-CZ 4.26Å; Y77-F100 HydrophobicContact CD1-CB 4.29Å; Y77-F100 VanDerWaalsContact O-CA 3.29Å; Y77-F100 WeakPolarHBondContact O-CA 3.41Å; L87-F100 HydrophobicContact CD2-CD2 4.5Å; L91-F100 HydrophobicContact CD1-CD1 4.17Å; L91-F100 HydrophobicContact CD1-CD2 3.9Å; L91-F100 HydrophobicContact CD1-CE1 4.06Å; L91-F100 HydrophobicContact CD1-CE2 3.79Å; L91-F100 HydrophobicContact CD1-CG 4.09Å; L91-F100 HydrophobicContact CD1-CZ 3.87Å; L91-F100 HydrophobicContact CD2-CB 4Å; L91-F100 HydrophobicContact CD2-CD1 3.84Å; L91-F100 HydrophobicContact CD2-CD2 4.43Å; L91-F100 HydrophobicContact CD2-CE1 4.41Å; L91-F100 HydrophobicContact CD2-CG 3.85Å |
| 101 | L | 88.3 | Confident | 88.2 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 138.2 | 170.5 | -72.6 | 172.2 | 0 | 0 | 0 | 110.2 | L10 Y77 I78 Y107 R108 L111 | L10-L101 HydrophobicContact CD2-CD2 3.54Å; L10-L101 HydrophobicContact CD2-CG 4.31Å; Y77-L101 PolarHBondContact O-N 3.26Å; I78-L101 HydrophobicContact CG1-CD1 4.3Å; L101-Y107 HydrophobicContact CD1-CD1 4.11Å; L101-Y107 HydrophobicContact CD2-CD1 4.49Å; L101-R108 HydrophobicContact CB-CG 3.82Å; L101-R108 HydrophobicContact CD1-CG 3.94Å; L101-L111 HydrophobicContact CD1-CD1 3.54Å |
| 102 | A | 87.4 | Confident | 88.4 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | trans | -55.3 | 148 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | V11 E104 D105 | V11-A102 HydrophobicContact CG2-CB 4.48Å; A102-E104 VanDerWaalsContact C-N 3.26Å; A102-E104 PolarHBondContact O-N 3.45Å; A102-D105 WeakPolarHBondContact O-CB 3.46Å; A102-D105 PolarHBondContact O-N 2.81Å; A102-D105 VanDerWaalsContact O-N 3.11Å | ||
| 103 | Y | 86.1 | Confident | 88.6 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 23% | 0.231 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -38.4 | -178.2 | 179.7 | -104 | 0 | 0 | 0 | 111.4 | Q82 E84 D105 R108 | Q82-Y103 PolarHBondContact O-OH 3.34Å; E84-Y103 HydrophobicContact CB-CD1 4Å; E84-Y103 HydrophobicContact CB-CG 4.02Å; E84-Y103 HydrophobicContact CG-CG 4.44Å; Y103-D105 PolarHBondContact O-N 2.88Å; Y103-R108 PolarHBondContact O-NE 3.12Å; Y103-R108 PolarHBondContact O-NH2 2.87Å |
| 104 | E | 86.1 | Confident | 88.9 | Confident | 128 Ų | 128 | 53.3 Ų | 53.3 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -10.6 | -178.6 | -63.1 | 67.4 | -144.8 | 0 | 0 | 113.5 | A102 P106 | A102-E104 VanDerWaalsContact C-N 3.26Å; A102-E104 PolarHBondContact O-N 3.45Å; E104-P106 VanDerWaalsContact O-CD 3.31Å; E104-P106 WeakPolarHBondContact O-CD 3.35Å |
| 105 | D | 87 | Confident | 89.2 | Confident | 25 Ų | 25 | 54.7 Ų | 54.7 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | trans | -72.9 | 117.2 | -175.3 | -163.4 | -26.7 | 0 | 0 | 0 | 110.8 | A102 Y103 Y107 R108 | A102-D105 WeakPolarHBondContact O-CB 3.46Å; A102-D105 PolarHBondContact O-N 2.81Å; A102-D105 VanDerWaalsContact O-N 3.11Å; Y103-D105 PolarHBondContact O-N 2.88Å; D105-Y107 PolarHBondContact O-N 2.79Å; D105-Y107 VanDerWaalsContact O-N 3.15Å; D105-Y107 WeakPolarHBondContact OD1-CB 3.16Å; D105-Y107 PolarHBondContact OD1-N 3Å; D105-R108 WeakPolarHBondContact O-CG 3.14Å; D105-R108 PolarHBondContact O-N 2.94Å | ||
| 106 | P | 89.1 | Confident | 89.5 | Confident | 84 Ų | 84 | 58.8 Ų | 58.8 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.7 | 176.5 | 27.9 | -36.3 | 0 | 0 | 0 | 112.6 | E104 R108 R109 E110 | E104-P106 VanDerWaalsContact O-CD 3.31Å; E104-P106 WeakPolarHBondContact O-CD 3.35Å; P106-R108 PolarHBondContact O-N 3.43Å; P106-R108 VanDerWaalsContact O-N 3.12Å; P106-R109 PolarHBondContact O-N 3.29Å; P106-E110 PolarHBondContact O-N 2.91Å |
| 107 | Y | 90 | Very high | 90 | Very high | 11 Ų | 11 | 52.9 Ų | 52.9 | 4% | 0.043 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -23.2 | -177.8 | -163.3 | -130.3 | 0 | 0 | 0 | 113.1 | L4 F5 R8 L101 D105 R109 E110 L111 | L4-Y107 WeakPolarHBondContact CD1-OH 3.36Å; L4-Y107 WeakPolarHBondContact CG-OH 3.47Å; L4-Y107 WeakPolarHBondContact O-CE1 3.41Å; L4-Y107 VanDerWaalsContact O-CZ 3.27Å; L4-Y107 PolarHBondContact O-OH 3.35Å; F5-Y107 HydrophobicContact CD1-CD1 4.42Å; F5-Y107 AromaticContact CD1-CE1 3.81Å; F5-Y107 HydrophobicContact CD1-CE1 3.81Å; F5-Y107 HydrophobicContact CE1-CD1 4.31Å; F5-Y107 AromaticContact CE1-CE1 3.71Å; F5-Y107 HydrophobicContact CE1-CE1 3.71Å; R8-Y107 HydrophobicContact CG-CD1 4.19Å; R8-Y107 HydrophobicContact CG-CE1 4.25Å; L101-Y107 HydrophobicContact CD1-CD1 4.11Å; L101-Y107 HydrophobicContact CD2-CD1 4.49Å; D105-Y107 PolarHBondContact O-N 2.79Å; D105-Y107 VanDerWaalsContact O-N 3.15Å; D105-Y107 WeakPolarHBondContact OD1-CB 3.16Å; D105-Y107 PolarHBondContact OD1-N 3Å; Y107-R109 VanDerWaalsContact C-N 3.28Å; Y107-R109 PolarHBondContact O-N 3.33Å; Y107-E110 HydrophobicContact CD2-CB 3.79Å; Y107-E110 HydrophobicContact CD2-CG 4.38Å; Y107-E110 VanDerWaalsContact CD2-OE2 3.32Å; Y107-E110 WeakPolarHBondContact CD2-OE2 3.09Å; Y107-E110 HydrophobicContact CE2-CB 4.17Å; Y107-E110 PolarHBondContact O-N 3.32Å; Y107-L111 HydrophobicContact CD1-CD1 3.61Å; Y107-L111 HydrophobicContact CD1-CD2 4.45Å; Y107-L111 HydrophobicContact CD1-CG 3.92Å; Y107-L111 HydrophobicContact CD2-CG 4.45Å; Y107-L111 HydrophobicContact CE1-CD1 3.62Å; Y107-L111 HydrophobicContact CE1-CD2 3.73Å; Y107-L111 HydrophobicContact CE1-CG 3.71Å; Y107-L111 HydrophobicContact CE2-CD2 4.3Å; Y107-L111 HydrophobicContact CE2-CG 4.21Å; Y107-L111 HydrophobicContact CG-CD1 4.3Å; Y107-L111 HydrophobicContact CG-CG 4.28Å; Y107-L111 WeakPolarHBondContact O-CB 3.37Å; Y107-L111 VanDerWaalsContact O-CG 3.31Å; Y107-L111 WeakPolarHBondContact O-CG 3.26Å; Y107-L111 PolarHBondContact O-N 2.85Å |
| 108 | R | 91.3 | Very high | 90.3 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 6% | 0.06 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.2 | -44.5 | 172.7 | -61.1 | -174 | -61.2 | 130 | -7 | 111.9 | I78 S79 L101 Y103 D105 P106 E112 | I78-R108 HydrophobicContact CG2-CB 4.04Å; I78-R108 HydrophobicContact CG2-CG 4.28Å; S79-R108 PolarHBondContact O-NH1 2.92Å; L101-R108 HydrophobicContact CB-CG 3.82Å; L101-R108 HydrophobicContact CD1-CG 3.94Å; Y103-R108 PolarHBondContact O-NE 3.12Å; Y103-R108 PolarHBondContact O-NH2 2.87Å; D105-R108 WeakPolarHBondContact O-CG 3.14Å; D105-R108 PolarHBondContact O-N 2.94Å; P106-R108 PolarHBondContact O-N 3.43Å; P106-R108 VanDerWaalsContact O-N 3.12Å; R108-E112 PolarHBondContact O-N 2.89Å; R108-E112 VanDerWaalsContact O-N 3.16Å |
| 109 | R | 91.6 | Very high | 90.5 | Very high | 104 Ų | 104 | 63.5 Ų | 63.5 | 39% | 0.392 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -78.4 | -32.2 | 179.8 | -62 | -61.6 | -179.3 | -170.6 | -6.2 | 112.6 | L80 P106 Y107 E112 T113 | L80-R109 PolarHBondContact O-NH2 2.82Å; P106-R109 PolarHBondContact O-N 3.29Å; Y107-R109 VanDerWaalsContact C-N 3.28Å; Y107-R109 PolarHBondContact O-N 3.33Å; R109-E112 WeakPolarHBondContact CD-OE2 3.31Å; R109-E112 IonicContact CZ-OE2 3.78Å; R109-E112 IonicContact NE-OE2 2.96Å; R109-E112 IonicContact NH1-OE1 3.66Å; R109-E112 IonicContact NH1-OE2 2.83Å; R109-E112 PolarHBondContact NH1-OE2 3.05Å; R109-T113 PolarHBondContact O-N 3.26Å; R109-T113 VanDerWaalsContact O-N 3.11Å; R109-T113 PolarHBondContact O-OG1 3.07Å |
| 110 | E | 92.8 | Very high | 90.6 | Very high | 90 Ų | 90 | 65.5 Ų | 65.5 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 172.7 | -66.6 | 179.8 | -155.1 | 0 | 0 | 110.8 | R8 P106 Y107 T113 M114 | R8-E110 IonicContact NH2-OE2 3.83Å; P106-E110 PolarHBondContact O-N 2.91Å; Y107-E110 HydrophobicContact CD2-CB 3.79Å; Y107-E110 HydrophobicContact CD2-CG 4.38Å; Y107-E110 VanDerWaalsContact CD2-OE2 3.32Å; Y107-E110 WeakPolarHBondContact CD2-OE2 3.09Å; Y107-E110 HydrophobicContact CE2-CB 4.17Å; Y107-E110 PolarHBondContact O-N 3.32Å; E110-T113 PolarHBondContact O-N 3.4Å; E110-M114 VanDerWaalsContact O-CB 3.24Å; E110-M114 WeakPolarHBondContact O-CB 3.32Å; E110-M114 PolarHBondContact O-N 2.78Å |
| 111 | L | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 176.6 | -70.8 | 168.9 | 0 | 0 | 0 | 112.3 | L4 F5 F39 I78 L101 Y107 T113 M114 F115 | L4-L111 HydrophobicContact CD1-CD2 4.18Å; L4-L111 HydrophobicContact CD2-CD2 4.26Å; L4-L111 HydrophobicContact CG-CD2 4.28Å; F5-L111 HydrophobicContact CE1-CD1 4.07Å; F5-L111 HydrophobicContact CZ-CD1 4.46Å; F39-L111 HydrophobicContact CE1-CB 3.97Å; F39-L111 HydrophobicContact CZ-CB 4.08Å; I78-L111 HydrophobicContact CD1-CB 4.19Å; I78-L111 HydrophobicContact CD1-CD1 3.63Å; I78-L111 HydrophobicContact CD1-CG 4.49Å; I78-L111 HydrophobicContact CG1-CD1 4.25Å; L101-L111 HydrophobicContact CD1-CD1 3.54Å; Y107-L111 HydrophobicContact CD1-CD1 3.61Å; Y107-L111 HydrophobicContact CD1-CD2 4.45Å; Y107-L111 HydrophobicContact CD1-CG 3.92Å; Y107-L111 HydrophobicContact CD2-CG 4.45Å; Y107-L111 HydrophobicContact CE1-CD1 3.62Å; Y107-L111 HydrophobicContact CE1-CD2 3.73Å; Y107-L111 HydrophobicContact CE1-CG 3.71Å; Y107-L111 HydrophobicContact CE2-CD2 4.3Å; Y107-L111 HydrophobicContact CE2-CG 4.21Å; Y107-L111 HydrophobicContact CG-CD1 4.3Å; Y107-L111 HydrophobicContact CG-CG 4.28Å; Y107-L111 WeakPolarHBondContact O-CB 3.37Å; Y107-L111 VanDerWaalsContact O-CG 3.31Å; Y107-L111 WeakPolarHBondContact O-CG 3.26Å; Y107-L111 PolarHBondContact O-N 2.85Å; L111-T113 VanDerWaalsContact C-N 3.26Å; L111-T113 PolarHBondContact O-N 3.25Å; L111-M114 PolarHBondContact O-N 3.49Å; L111-F115 HydrophobicContact CD2-CD2 4.37Å; L111-F115 HydrophobicContact CD2-CE2 3.77Å; L111-F115 VanDerWaalsContact O-CD2 3.3Å; L111-F115 WeakPolarHBondContact O-CD2 3.07Å; L111-F115 PolarHBondContact O-N 3.19Å |
| 112 | E | 93.1 | Very high | 91.2 | Very high | 47 Ų | 47 | 66.5 Ų | 66.5 | 22% | 0.22 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53.2 | -46.4 | 174.1 | -177.8 | -177.7 | -164.2 | 0 | 0 | 111.1 | L80 R108 R109 D116 V117 | L80-E112 HydrophobicContact CD1-CG 4.26Å; L80-E112 HydrophobicContact CD2-CB 4.07Å; L80-E112 HydrophobicContact CD2-CG 4.13Å; R108-E112 PolarHBondContact O-N 2.89Å; R108-E112 VanDerWaalsContact O-N 3.16Å; R109-E112 WeakPolarHBondContact CD-OE2 3.31Å; R109-E112 IonicContact CZ-OE2 3.78Å; R109-E112 IonicContact NE-OE2 2.96Å; R109-E112 IonicContact NH1-OE1 3.66Å; R109-E112 IonicContact NH1-OE2 2.83Å; R109-E112 PolarHBondContact NH1-OE2 3.05Å; E112-D116 PolarHBondContact O-N 2.75Å; E112-V117 HydrophobicContact CG-CB 4.24Å; E112-V117 PolarHBondContact O-N 3.21Å |
| 113 | T | 93.4 | Very high | 91.7 | Very high | 114 Ų | 114 | 65 Ų | 65 | 70% | 0.699 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -71.5 | -41.9 | 178.6 | -53.4 | 0 | 0 | 0 | 0 | 112 | R109 E110 L111 F115 D116 | R109-T113 PolarHBondContact O-N 3.26Å; R109-T113 VanDerWaalsContact O-N 3.11Å; R109-T113 PolarHBondContact O-OG1 3.07Å; E110-T113 PolarHBondContact O-N 3.4Å; L111-T113 VanDerWaalsContact C-N 3.26Å; L111-T113 PolarHBondContact O-N 3.25Å; T113-F115 VanDerWaalsContact C-N 3.28Å; T113-F115 PolarHBondContact O-N 3.39Å; T113-D116 PolarHBondContact O-N 3Å |
| 114 | M | 92.8 | Very high | 92.2 | Very high | 109 Ų | 109 | 62.2 Ų | 62.2 | 54% | 0.537 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.7 | -36.3 | -177.4 | -175.9 | 180 | -65.6 | 0 | 0 | 112.3 | L4 E110 L111 | L4-M114 HydrophobicContact CD1-CE 4.22Å; L4-M114 HydrophobicContact CD1-SD 3.56Å; L4-M114 VanDerWaalsContact CD1-SD 3.56Å; E110-M114 VanDerWaalsContact O-CB 3.24Å; E110-M114 WeakPolarHBondContact O-CB 3.32Å; E110-M114 PolarHBondContact O-N 2.78Å; L111-M114 PolarHBondContact O-N 3.49Å |
| 115 | F | 93.4 | Very high | 92.6 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 8.1 | -179.7 | -66.2 | -70.3 | 0 | 0 | 0 | 114 | L4 L37 F39 L111 T113 V117 V124 L126 V132 | L4-F115 HydrophobicContact CD2-CE2 4.22Å; L4-F115 HydrophobicContact CD2-CZ 3.98Å; L37-F115 HydrophobicContact CD1-CD2 3.91Å; L37-F115 HydrophobicContact CD1-CE2 3.35Å; L37-F115 HydrophobicContact CD1-CZ 3.8Å; F39-F115 HydrophobicContact CE2-CD2 4.45Å; F39-F115 AromaticContact CZ-CD2 3.98Å; F39-F115 HydrophobicContact CZ-CD2 3.98Å; L111-F115 HydrophobicContact CD2-CD2 4.37Å; L111-F115 HydrophobicContact CD2-CE2 3.77Å; L111-F115 VanDerWaalsContact O-CD2 3.3Å; L111-F115 WeakPolarHBondContact O-CD2 3.07Å; L111-F115 PolarHBondContact O-N 3.19Å; T113-F115 VanDerWaalsContact C-N 3.28Å; T113-F115 PolarHBondContact O-N 3.39Å; F115-V117 VanDerWaalsContact C-N 3.29Å; F115-V117 HydrophobicContact CB-CG2 4.02Å; F115-V117 PolarHBondContact O-N 2.82Å; F115-V124 HydrophobicContact CB-CG2 4.08Å; F115-V124 HydrophobicContact CD1-CG1 3.89Å; F115-V124 HydrophobicContact CE1-CG1 4.23Å; F115-V124 HydrophobicContact CG-CG1 4.4Å; F115-V124 HydrophobicContact CG-CG2 4.27Å; F115-L126 HydrophobicContact CE1-CD1 4.45Å; F115-L126 HydrophobicContact CE1-CD2 3.62Å; F115-L126 HydrophobicContact CZ-CD1 3.94Å; F115-L126 HydrophobicContact CZ-CD2 3.97Å; F115-V132 HydrophobicContact CD1-CG2 3.83Å; F115-V132 HydrophobicContact CE1-CG2 3.63Å |
| 116 | D | 93 | Very high | 92.9 | Very high | 96 Ų | 96 | 55 Ų | 55 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 49.5 | -177.7 | -170.6 | 25.8 | 0 | 0 | 0 | 112 | E112 T113 R118 | E112-D116 PolarHBondContact O-N 2.75Å; T113-D116 PolarHBondContact O-N 3Å; D116-R118 PolarHBondContact O-N 3.09Å; D116-R118 IonicContact OD1-CZ 3.07Å; D116-R118 IonicContact OD1-NE 3.79Å; D116-R118 PolarHBondContact OD1-NE 3.26Å; D116-R118 VanDerWaalsContact OD1-NE 3.15Å; D116-R118 IonicContact OD1-NH2 2.75Å; D116-R118 IonicContact OD2-CZ 3.62Å; D116-R118 IonicContact OD2-NE 2.89Å; D116-R118 PolarHBondContact OD2-NE 2.72Å; D116-R118 IonicContact OD2-NH2 3.25Å; D116-R118 PolarHBondContact OD2-NH2 2.72Å |
| 117 | V | 92.6 | Very high | 93 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | trans | -76.5 | 105.7 | -179.7 | -177.6 | 0 | 0 | 0 | 0 | 109 | F39 E112 F115 T122 | F39-V117 HydrophobicContact CB-CG1 4Å; F39-V117 HydrophobicContact CD1-CG2 4.1Å; F39-V117 HydrophobicContact CD2-CG2 3.79Å; F39-V117 HydrophobicContact CE1-CG2 4.16Å; F39-V117 HydrophobicContact CE2-CG2 3.86Å; F39-V117 HydrophobicContact CG-CG1 4.19Å; F39-V117 HydrophobicContact CG-CG2 3.91Å; F39-V117 HydrophobicContact CZ-CG2 4.03Å; E112-V117 HydrophobicContact CG-CB 4.24Å; E112-V117 PolarHBondContact O-N 3.21Å; F115-V117 VanDerWaalsContact C-N 3.29Å; F115-V117 HydrophobicContact CB-CG2 4.02Å; F115-V117 PolarHBondContact O-N 2.82Å; V117-T122 HydrophobicContact CG1-CG2 4.29Å; V117-T122 HydrophobicContact CG2-CG2 4.39Å | ||
| 118 | R | 89.4 | Confident | 92.8 | Very high | 198 Ų | 198 | 55.2 Ų | 55.2 | 75% | 0.747 | 26% | 0.262 | S | S | * | . | trans | -94.9 | -26.7 | -178 | -60.1 | -176.6 | -173.7 | -176.3 | 6 | 113.9 | D116 | D116-R118 PolarHBondContact O-N 3.09Å; D116-R118 IonicContact OD1-CZ 3.07Å; D116-R118 IonicContact OD1-NE 3.79Å; D116-R118 PolarHBondContact OD1-NE 3.26Å; D116-R118 VanDerWaalsContact OD1-NE 3.15Å; D116-R118 IonicContact OD1-NH2 2.75Å; D116-R118 IonicContact OD2-CZ 3.62Å; D116-R118 IonicContact OD2-NE 2.89Å; D116-R118 PolarHBondContact OD2-NE 2.72Å; D116-R118 IonicContact OD2-NH2 3.25Å; D116-R118 PolarHBondContact OD2-NH2 2.72Å | ||
| 119 | E | 90.6 | Very high | 92.5 | Very high | 155 Ų | 155 | 59.2 Ų | 59.2 | 72% | 0.724 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -139.1 | 150.5 | -172.4 | -63.1 | -177.5 | 174.9 | 0 | 0 | 110.2 | T122 | E119-T122 PolarHBondContact O-OG1 2.73Š|
| 120 | V | 92.6 | Very high | 92.3 | Very high | 46 Ų | 46 | 55.5 Ų | 55.5 | 28% | 0.279 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -119.7 | 143 | 174.7 | -67.4 | 0 | 0 | 0 | 0 | 110.7 | T46 L80 | T46-V120 PolarHBondContact OG1-O 3.09Å; L80-V120 HydrophobicContact CD1-CG1 3.7Å |
| 121 | P | 94.4 | Very high | 92.1 | Very high | 18 Ų | 18 | 53 Ų | 53 | 12% | 0.117 | 27% | 0.267 | C | S | . | . | S | Bend | cis | -74.2 | 144.2 | 0 | 28.4 | -33 | 0 | 0 | 0 | 113.1 | F38 T46 F50 V138 | F38-P121 HydrophobicContact CE2-CB 3.73Å; F38-P121 HydrophobicContact CZ-CB 4.37Å; T46-P121 WeakPolarHBondContact OG1-CD 3.49Å; F50-P121 HydrophobicContact CB-CG 3.97Å; F50-P121 HydrophobicContact CD1-CB 3.94Å; F50-P121 HydrophobicContact CD1-CG 4.11Å; F50-P121 HydrophobicContact CG-CB 4.46Å; F50-P121 HydrophobicContact CG-CG 4.14Å; P121-V138 HydrophobicContact CB-CG2 4.33Å; P121-V138 HydrophobicContact CG-CG1 4.42Å; P121-V138 HydrophobicContact CG-CG2 4.43Å |
| 122 | T | 96.7 | Very high | 92.2 | Very high | 10 Ų | 10 | 56.1 Ų | 56.1 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.5 | 169.2 | -73.8 | 0 | 0 | 0 | 0 | 109.8 | F39 V117 E119 V124 N136 | F39-T122 PolarHBondContact N-O 2.91Å; F39-T122 PolarHBondContact O-N 2.74Å; V117-T122 HydrophobicContact CG1-CG2 4.29Å; V117-T122 HydrophobicContact CG2-CG2 4.39Å; E119-T122 PolarHBondContact O-OG1 2.73Å; T122-V124 HydrophobicContact CG2-CG2 4.07Å; T122-N136 HydrophobicContact CG2-CB 4.23Å |
| 123 | V | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 105.7 | 175 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | M36 L37 F38 F50 V125 N136 A137 V138 I141 | M36-V123 HydrophobicContact CB-CG1 4.25Å; M36-V123 HydrophobicContact CE-CG1 3.54Å; M36-V123 HydrophobicContact CG-CG1 4.5Å; L37-V123 CarbonylContact O-C 3.55Å; L37-V123 WeakPolarHBondContact O-CA 3.35Å; F38-V123 HydrophobicContact CD2-CG2 3.6Å; F38-V123 HydrophobicContact CE2-CG2 4.2Å; F38-V123 HydrophobicContact CG-CG2 4.44Å; F50-V123 HydrophobicContact CE1-CG2 3.72Å; F50-V123 HydrophobicContact CZ-CG2 4.09Å; V123-V125 HydrophobicContact CG1-CG2 4.49Å; V123-N136 PolarHBondContact N-OD1 3.29Å; V123-N136 CarbonylContact O-C 3.53Å; V123-N136 WeakPolarHBondContact O-CA 3.45Å; V123-A137 HydrophobicContact CB-CB 4.2Å; V123-A137 HydrophobicContact CG1-CB 4.13Å; V123-A137 WeakPolarHBondContact O-CB 3.44Å; V123-A137 PolarHBondContact O-N 2.93Å; V123-V138 HydrophobicContact CB-CG2 4.22Å; V123-V138 HydrophobicContact CG2-CG2 3.82Å; V123-I141 HydrophobicContact CB-CD1 4.34Å; V123-I141 HydrophobicContact CG1-CD1 4.07Å; V123-I141 HydrophobicContact CG2-CD1 4.29Å |
| 124 | V | 96.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 127.5 | 174.1 | -172.3 | 0 | 0 | 0 | 0 | 108.3 | M36 L37 F39 F115 T122 L126 V132 P135 | M36-V124 CarbonylContact C-O 3.5Å; M36-V124 WeakPolarHBondContact CA-O 3.48Å; L37-V124 HydrophobicContact CB-CB 4.19Å; L37-V124 PolarHBondContact N-O 2.64Å; L37-V124 PolarHBondContact O-N 3.1Å; F39-V124 HydrophobicContact CD2-CG2 4.1Å; F39-V124 HydrophobicContact CE2-CB 4.42Å; F39-V124 HydrophobicContact CE2-CG2 3.65Å; F115-V124 HydrophobicContact CB-CG2 4.08Å; F115-V124 HydrophobicContact CD1-CG1 3.89Å; F115-V124 HydrophobicContact CE1-CG1 4.23Å; F115-V124 HydrophobicContact CG-CG1 4.4Å; F115-V124 HydrophobicContact CG-CG2 4.27Å; T122-V124 HydrophobicContact CG2-CG2 4.07Å; V124-L126 HydrophobicContact CG1-CD2 3.68Å; V124-L126 HydrophobicContact CG1-CG 4.43Å; V124-V132 HydrophobicContact CG1-CG1 4.28Å; V124-P135 WeakPolarHBondContact CG2-O 3.29Å |
| 125 | V | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.5 | 174.4 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | L35 M36 V123 L133 I134 A137 W152 | L35-V125 CarbonylContact O-C 3.59Å; L35-V125 WeakPolarHBondContact O-CA 3.37Å; M36-V125 HydrophobicContact CG-CG2 4.47Å; V123-V125 HydrophobicContact CG1-CG2 4.49Å; V125-L133 HydrophobicContact CG1-CB 4.35Å; V125-L133 HydrophobicContact CG1-CD2 4Å; V125-L133 WeakPolarHBondContact O-CA 3.42Å; V125-L133 WeakPolarHBondContact O-CB 3.48Å; V125-L133 PolarHBondContact O-N 2.86Å; V125-I134 HydrophobicContact CB-CB 4.19Å; V125-I134 HydrophobicContact CG2-CB 4.43Å; V125-I134 PolarHBondContact N-O 3.49Å; V125-I134 PolarHBondContact O-N 3.4Å; V125-I134 VanDerWaalsContact O-N 3.1Å; V125-A137 HydrophobicContact CG2-CB 3.62Å; V125-W152 HydrophobicContact CG1-CD2 4.35Å; V125-W152 HydrophobicContact CG1-CE3 4.14Å; V125-W152 HydrophobicContact CG2-CD2 4.35Å; V125-W152 HydrophobicContact CG2-CE3 4.14Å; V125-W152 HydrophobicContact CG2-CH2 3.9Å; V125-W152 HydrophobicContact CG2-CZ2 4.14Å; V125-W152 HydrophobicContact CG2-CZ3 3.92Å |
| 126 | L | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 146.2 | 177.7 | -49.4 | 179.2 | 0 | 0 | 0 | 110.9 | L4 L34 L35 L37 F115 V124 S131 V132 | L4-L126 HydrophobicContact CD2-CD1 3.71Å; L34-L126 WeakPolarHBondContact CA-O 3.36Å; L35-L126 HydrophobicContact CB-CB 4.16Å; L35-L126 PolarHBondContact N-O 3.25Å; L35-L126 PolarHBondContact O-N 2.92Å; L37-L126 HydrophobicContact CD1-CD1 3.76Å; L37-L126 HydrophobicContact CD1-CG 4.43Å; L37-L126 HydrophobicContact CG-CD1 4.02Å; L37-L126 HydrophobicContact CG-CG 4.43Å; F115-L126 HydrophobicContact CE1-CD1 4.45Å; F115-L126 HydrophobicContact CE1-CD2 3.62Å; F115-L126 HydrophobicContact CZ-CD1 3.94Å; F115-L126 HydrophobicContact CZ-CD2 3.97Å; V124-L126 HydrophobicContact CG1-CD2 3.68Å; V124-L126 HydrophobicContact CG1-CG 4.43Å; L126-S131 WeakPolarHBondContact CA-O 3.32Å; L126-V132 HydrophobicContact CD2-CB 4.36Å; L126-V132 HydrophobicContact CD2-CG2 3.87Å |
| 127 | R | 91.4 | Very high | 92.6 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 27% | 0.268 | 24% | 0.244 | S | C | . | . | trans | -71.9 | 165.9 | 166.3 | -66 | -169.6 | -166.1 | 77.1 | 4.3 | 110.3 | D129 C130 S131 V132 L133 A156 | R127-D129 WeakPolarHBondContact CB-OD1 3.4Å; R127-D129 PolarHBondContact O-N 2.87Å; R127-D129 VanDerWaalsContact O-N 3.12Å; R127-C130 WeakPolarHBondContact O-CA 3.33Å; R127-C130 PolarHBondContact O-N 2.78Å; R127-S131 WeakPolarHBondContact CD-OG 3.46Å; R127-S131 PolarHBondContact N-O 2.85Å; R127-S131 PolarHBondContact NH1-OG 2.84Å; R127-V132 PolarHBondContact NH1-O 2.79Å; R127-L133 HydrophobicContact CG-CB 4.04Å; R127-L133 HydrophobicContact CG-CD1 4.22Å; R127-L133 VanDerWaalsContact NH2-CD1 3.3Å; R127-A156 HydrophobicContact CG-CB 4.02Å | ||
| 128 | P | 86.3 | Confident | 92.7 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 20% | 0.195 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -18.4 | 177.4 | -21.6 | 31.5 | 0 | 0 | 0 | 115 | L158 | P128-L158 HydrophobicContact CG-CD2 3.38Å; P128-L158 HydrophobicContact CG-CG 4.43Å |
| 129 | D | 84.2 | Confident | 92.9 | Very high | 100 Ų | 100 | 45.3 Ų | 45.3 | 54% | 0.535 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 5.1 | 173.1 | 68.9 | -11.1 | 0 | 0 | 0 | 113.1 | R127 S131 | R127-D129 WeakPolarHBondContact CB-OD1 3.4Å; R127-D129 PolarHBondContact O-N 2.87Å; R127-D129 VanDerWaalsContact O-N 3.12Å; D129-S131 VanDerWaalsContact CG-OG 3.31Å; D129-S131 PolarHBondContact O-N 3.42Å; D129-S131 VanDerWaalsContact OD1-CB 3.27Å; D129-S131 WeakPolarHBondContact OD1-CB 3.07Å; D129-S131 PolarHBondContact OD1-N 3.14Å; D129-S131 PolarHBondContact OD1-OG 3.2Å; D129-S131 PolarHBondContact OD2-OG 2.88Å |
| 130 | C | 86.5 | Confident | 93.1 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 17% | 0.169 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 65.4 | 13.3 | -174 | -56 | 0 | 0 | 0 | 0 | 114.7 | L4 R127 | L4-C130 HydrophobicContact CB-CB 4.14Å; R127-C130 WeakPolarHBondContact O-CA 3.33Å; R127-C130 PolarHBondContact O-N 2.78Å |
| 131 | S | 90.1 | Very high | 93.2 | Very high | 38 Ų | 38 | 38.5 Ų | 38.5 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | trans | -75.2 | 145.5 | 169.9 | 68.5 | 0 | 0 | 0 | 0 | 111.1 | L126 R127 D129 L133 | L126-S131 WeakPolarHBondContact CA-O 3.32Å; R127-S131 WeakPolarHBondContact CD-OG 3.46Å; R127-S131 PolarHBondContact N-O 2.85Å; R127-S131 PolarHBondContact NH1-OG 2.84Å; D129-S131 VanDerWaalsContact CG-OG 3.31Å; D129-S131 PolarHBondContact O-N 3.42Å; D129-S131 VanDerWaalsContact OD1-CB 3.27Å; D129-S131 WeakPolarHBondContact OD1-CB 3.07Å; D129-S131 PolarHBondContact OD1-N 3.14Å; D129-S131 PolarHBondContact OD1-OG 3.2Å; D129-S131 PolarHBondContact OD2-OG 2.88Å; S131-L133 PolarHBondContact O-N 3.06Å | ||
| 132 | V | 93.3 | Very high | 93.2 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 39% | 0.394 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 121.1 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | F115 V124 L126 R127 P135 | F115-V132 HydrophobicContact CD1-CG2 3.83Å; F115-V132 HydrophobicContact CE1-CG2 3.63Å; V124-V132 HydrophobicContact CG1-CG1 4.28Å; L126-V132 HydrophobicContact CD2-CB 4.36Å; L126-V132 HydrophobicContact CD2-CG2 3.87Å; R127-V132 PolarHBondContact NH1-O 2.79Å; V132-P135 HydrophobicContact CG1-CB 4.41Å |
| 133 | L | 93.6 | Very high | 93.1 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 14% | 0.141 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -53.8 | 168.8 | -175.9 | 62.6 | 0 | 0 | 0 | 109.2 | L34 V125 R127 S131 W152 A155 A156 | L34-L133 HydrophobicContact CD2-CD2 4.42Å; V125-L133 HydrophobicContact CG1-CB 4.35Å; V125-L133 HydrophobicContact CG1-CD2 4Å; V125-L133 WeakPolarHBondContact O-CA 3.42Å; V125-L133 WeakPolarHBondContact O-CB 3.48Å; V125-L133 PolarHBondContact O-N 2.86Å; R127-L133 HydrophobicContact CG-CB 4.04Å; R127-L133 HydrophobicContact CG-CD1 4.22Å; R127-L133 VanDerWaalsContact NH2-CD1 3.3Å; S131-L133 PolarHBondContact O-N 3.06Å; L133-W152 HydrophobicContact CD2-CB 3.8Å; L133-W152 HydrophobicContact CD2-CG 4.35Å; L133-W152 WeakPolarHBondContact CD2-O 3.24Å; L133-A155 HydrophobicContact CD1-CB 3.87Å; L133-A156 HydrophobicContact CD2-CB 4.27Å |
| 134 | I | 94.9 | Very high | 92.8 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 12% | 0.118 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 126.7 | 179.4 | -67.9 | 161.5 | 0 | 0 | 0 | 108.9 | V125 A137 W152 | V125-I134 HydrophobicContact CB-CB 4.19Å; V125-I134 HydrophobicContact CG2-CB 4.43Å; V125-I134 PolarHBondContact N-O 3.49Å; V125-I134 PolarHBondContact O-N 3.4Å; V125-I134 VanDerWaalsContact O-N 3.1Å; I134-A137 HydrophobicContact CG2-CB 4.05Å; I134-W152 HydrophobicContact CD1-CD2 4.36Å; I134-W152 HydrophobicContact CD1-CG 4.08Å; I134-W152 HydrophobicContact CD1-CZ2 4.44Å |
| 135 | P | 94.1 | Very high | 92.6 | Very high | 92 Ų | 92 | 52.3 Ų | 52.3 | 60% | 0.597 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -73.2 | -34.8 | -179.4 | 28.1 | -33.9 | 0 | 0 | 0 | 113.1 | V124 V132 | V124-P135 WeakPolarHBondContact CG2-O 3.29Å; V132-P135 HydrophobicContact CG1-CB 4.41Å |
| 136 | N | 95.9 | Very high | 92.3 | Very high | 74 Ų | 74 | 54.1 Ų | 54.1 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | trans | -144.5 | 110.5 | 173.6 | -169.9 | -2.8 | 0 | 0 | 0 | 111.5 | T122 V123 V138 | T122-N136 HydrophobicContact CG2-CB 4.23Å; V123-N136 PolarHBondContact N-OD1 3.29Å; V123-N136 CarbonylContact O-C 3.53Å; V123-N136 WeakPolarHBondContact O-CA 3.45Å; N136-V138 WeakPolarHBondContact OD1-CB 3.35Å; N136-V138 VanDerWaalsContact OD1-CG2 3.29Å; N136-V138 WeakPolarHBondContact OD1-CG2 3.38Å; N136-V138 PolarHBondContact OD1-N 3.05Å; N136-V138 VanDerWaalsContact OD1-N 3.14Å | ||
| 137 | A | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -96.7 | 2.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V123 V125 I134 E139 E140 I141 W152 | V123-A137 HydrophobicContact CB-CB 4.2Å; V123-A137 HydrophobicContact CG1-CB 4.13Å; V123-A137 WeakPolarHBondContact O-CB 3.44Å; V123-A137 PolarHBondContact O-N 2.93Å; V125-A137 HydrophobicContact CG2-CB 3.62Å; I134-A137 HydrophobicContact CG2-CB 4.05Å; A137-E139 VanDerWaalsContact C-N 3.32Å; A137-E139 PolarHBondContact O-N 2.82Å; A137-E140 PolarHBondContact O-N 2.83Å; A137-E140 VanDerWaalsContact O-N 3.16Å; A137-I141 HydrophobicContact CB-CD1 4.16Å; A137-I141 HydrophobicContact CB-CG1 4.47Å; A137-I141 VanDerWaalsContact O-CG1 3.27Å; A137-I141 WeakPolarHBondContact O-CG1 3.46Å; A137-I141 PolarHBondContact O-N 2.83Å; A137-W152 HydrophobicContact CB-CH2 3.83Å; A137-W152 HydrophobicContact CB-CZ2 3.6Å | ||
| 138 | V | 95.4 | Very high | 92.2 | Very high | 25 Ų | 25 | 55.5 Ų | 55.5 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.3 | -45.1 | -176.8 | 169.4 | 0 | 0 | 0 | 0 | 112 | F50 P121 V123 N136 T142 | F50-V138 HydrophobicContact CD1-CG2 4.49Å; F50-V138 HydrophobicContact CD2-CG1 3.98Å; F50-V138 HydrophobicContact CE1-CG2 3.97Å; F50-V138 HydrophobicContact CE2-CB 4.38Å; F50-V138 HydrophobicContact CE2-CG1 3.84Å; F50-V138 HydrophobicContact CE2-CG2 4.42Å; F50-V138 HydrophobicContact CG-CG1 4.45Å; F50-V138 HydrophobicContact CZ-CB 4.29Å; F50-V138 HydrophobicContact CZ-CG1 4.19Å; F50-V138 HydrophobicContact CZ-CG2 3.93Å; P121-V138 HydrophobicContact CB-CG2 4.33Å; P121-V138 HydrophobicContact CG-CG1 4.42Å; P121-V138 HydrophobicContact CG-CG2 4.43Å; V123-V138 HydrophobicContact CB-CG2 4.22Å; V123-V138 HydrophobicContact CG2-CG2 3.82Å; N136-V138 WeakPolarHBondContact OD1-CB 3.35Å; N136-V138 VanDerWaalsContact OD1-CG2 3.29Å; N136-V138 WeakPolarHBondContact OD1-CG2 3.38Å; N136-V138 PolarHBondContact OD1-N 3.05Å; N136-V138 VanDerWaalsContact OD1-N 3.14Å; V138-T142 WeakPolarHBondContact O-CB 3.42Å; V138-T142 PolarHBondContact O-N 2.85Å; V138-T142 PolarHBondContact O-OG1 2.81Å |
| 139 | E | 93.8 | Very high | 92.4 | Very high | 150 Ų | 150 | 55.6 Ų | 55.6 | 70% | 0.701 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.7 | -42 | 178.4 | -171 | -178.7 | 171.2 | 0 | 0 | 111.8 | A137 T142 R143 | A137-E139 VanDerWaalsContact C-N 3.32Å; A137-E139 PolarHBondContact O-N 2.82Å; E139-T142 PolarHBondContact O-N 3.14Å; E139-R143 VanDerWaalsContact O-CB 3.22Å; E139-R143 WeakPolarHBondContact O-CB 3.4Å; E139-R143 PolarHBondContact O-N 3.41Å |
| 140 | E | 94.6 | Very high | 92.5 | Very high | 56 Ų | 56 | 57.5 Ų | 57.5 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 178.3 | -72.7 | -166.3 | -152.5 | 0 | 0 | 112.2 | A137 R143 M144 C148 W152 | A137-E140 PolarHBondContact O-N 2.83Å; A137-E140 VanDerWaalsContact O-N 3.16Å; E140-R143 PolarHBondContact O-N 3.17Å; E140-M144 HydrophobicContact CB-CE 3.82Å; E140-M144 HydrophobicContact CG-CE 3.81Å; E140-M144 WeakPolarHBondContact O-CB 3.47Å; E140-M144 PolarHBondContact O-N 3.12Å; E140-C148 HydrophobicContact CB-CB 4.38Å; E140-W152 HydrophobicContact CB-CZ2 4.28Å; E140-W152 PolarHBondContact OE2-NE1 3.38Å |
| 141 | I | 94.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 177 | -66.5 | 164 | 0 | 0 | 0 | 110 | M36 F50 T53 L54 F57 V123 A137 R143 G145 W152 | M36-I141 HydrophobicContact CE-CD1 3.64Å; F50-I141 HydrophobicContact CE2-CB 4.43Å; F50-I141 HydrophobicContact CE2-CG2 4.21Å; F50-I141 HydrophobicContact CZ-CB 4.38Å; F50-I141 HydrophobicContact CZ-CD1 4.1Å; F50-I141 HydrophobicContact CZ-CG2 4.22Å; T53-I141 HydrophobicContact CG2-CG2 4.37Å; L54-I141 HydrophobicContact CD1-CD1 4.2Å; F57-I141 HydrophobicContact CB-CG2 3.99Å; F57-I141 HydrophobicContact CD1-CG2 4.32Å; F57-I141 HydrophobicContact CD2-CG2 4Å; F57-I141 HydrophobicContact CE1-CG1 4.38Å; F57-I141 HydrophobicContact CE2-CG1 4.42Å; F57-I141 HydrophobicContact CG-CG2 3.84Å; F57-I141 HydrophobicContact CZ-CG1 4.29Å; V123-I141 HydrophobicContact CB-CD1 4.34Å; V123-I141 HydrophobicContact CG1-CD1 4.07Å; V123-I141 HydrophobicContact CG2-CD1 4.29Å; A137-I141 HydrophobicContact CB-CD1 4.16Å; A137-I141 HydrophobicContact CB-CG1 4.47Å; A137-I141 VanDerWaalsContact O-CG1 3.27Å; A137-I141 WeakPolarHBondContact O-CG1 3.46Å; A137-I141 PolarHBondContact O-N 2.83Å; I141-R143 PolarHBondContact O-N 3.38Å; I141-G145 WeakPolarHBondContact O-CA 3.42Å; I141-G145 PolarHBondContact O-N 3.39Å; I141-W152 HydrophobicContact CD1-CH2 3.98Å; I141-W152 HydrophobicContact CG1-CH2 3.64Å; I141-W152 HydrophobicContact CG1-CZ2 4.19Å |
| 142 | T | 94.1 | Very high | 92.9 | Very high | 88 Ų | 88 | 58 Ų | 58 | 54% | 0.54 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.7 | -38.6 | -177.6 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | V138 E139 | V138-T142 WeakPolarHBondContact O-CB 3.42Å; V138-T142 PolarHBondContact O-N 2.85Å; V138-T142 PolarHBondContact O-OG1 2.81Å; E139-T142 PolarHBondContact O-N 3.14Å |
| 143 | R | 94.1 | Very high | 92.6 | Very high | 171 Ų | 171 | 57 Ų | 57 | 65% | 0.645 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -85 | -41.8 | -174.6 | -170.7 | -179.6 | 66.5 | 76.8 | 0.8 | 113.4 | E139 E140 I141 | E139-R143 VanDerWaalsContact O-CB 3.22Å; E139-R143 WeakPolarHBondContact O-CB 3.4Å; E139-R143 PolarHBondContact O-N 3.41Å; E140-R143 PolarHBondContact O-N 3.17Å; I141-R143 PolarHBondContact O-N 3.38Å |
| 144 | M | 91.8 | Very high | 92.3 | Very high | 43 Ų | 43 | 61.6 Ų | 61.6 | 21% | 0.212 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -105.3 | -16.2 | -173.7 | -61.4 | -170.8 | -71.8 | 0 | 0 | 113.1 | E140 D147 C148 | E140-M144 HydrophobicContact CB-CE 3.82Å; E140-M144 HydrophobicContact CG-CE 3.81Å; E140-M144 WeakPolarHBondContact O-CB 3.47Å; E140-M144 PolarHBondContact O-N 3.12Å; M144-D147 PolarHBondContact O-N 3.3Å; M144-C148 HydrophobicContact CB-CB 4.12Å; M144-C148 HydrophobicContact CE-CB 3.72Å |
| 145 | G | 91.5 | Very high | 92 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 19% | 0.186 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | 58.5 | -144.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F57 I141 D147 C148 | F57-G145 VanDerWaalsContact CE2-O 3.31Å; F57-G145 WeakPolarHBondContact CE2-O 3.21Å; I141-G145 WeakPolarHBondContact O-CA 3.42Å; I141-G145 PolarHBondContact O-N 3.39Å; G145-D147 PolarHBondContact O-N 3.33Å; G145-D147 VanDerWaalsContact O-N 3.07Å; G145-C148 PolarHBondContact O-N 3.14Å; G145-C148 PolarHBondContact O-SG 3Å |
| 146 | P | 89.6 | Confident | 91.6 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 25% | 0.253 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -57.5 | -23.3 | -177.8 | -22.3 | 31.1 | 0 | 0 | 0 | 115 | Q60 L61 C148 Y149 | Q60-P146 HydrophobicContact CB-CG 3.92Å; L61-P146 HydrophobicContact CD2-CB 3.94Å; L61-P146 HydrophobicContact CG-CB 4.32Å; P146-C148 PolarHBondContact O-N 2.6Å; P146-Y149 WeakPolarHBondContact O-CB 3.44Å; P146-Y149 PolarHBondContact O-N 2.89Å; P146-Y149 VanDerWaalsContact O-N 3.15Å |
| 147 | D | 89.1 | Confident | 90.8 | Very high | 99 Ų | 99 | 64.1 Ų | 64.1 | 53% | 0.529 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -64.4 | -24.5 | -178.9 | -73.7 | -46 | 0 | 0 | 0 | 112.9 | M144 G145 Y149 R150 | M144-D147 PolarHBondContact O-N 3.3Å; G145-D147 PolarHBondContact O-N 3.33Å; G145-D147 VanDerWaalsContact O-N 3.07Å; D147-Y149 PolarHBondContact O-N 2.89Å; D147-R150 PolarHBondContact O-N 2.89Å |
| 148 | C | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.3 | -30.1 | 176.4 | 71.5 | 0 | 0 | 0 | 0 | 112.2 | F57 E140 M144 G145 P146 R150 N151 W152 | F57-C148 WeakPolarHBondContact CE2-SG 3.29Å; E140-C148 HydrophobicContact CB-CB 4.38Å; M144-C148 HydrophobicContact CB-CB 4.12Å; M144-C148 HydrophobicContact CE-CB 3.72Å; G145-C148 PolarHBondContact O-N 3.14Å; G145-C148 PolarHBondContact O-SG 3Å; P146-C148 PolarHBondContact O-N 2.6Å; C148-R150 PolarHBondContact O-N 3.36Å; C148-N151 WeakPolarHBondContact O-CB 3.11Å; C148-N151 PolarHBondContact O-N 3.23Å; C148-N151 VanDerWaalsContact O-N 3.07Å; C148-W152 HydrophobicContact CB-CZ2 3.96Å; C148-W152 VanDerWaalsContact O-CD1 3.3Å; C148-W152 PolarHBondContact O-N 3.36Å; C148-W152 WeakPolarHBondContact SG-CH2 3.49Å; C148-W152 WeakPolarHBondContact SG-CZ2 3.43Å |
| 149 | Y | 90.6 | Very high | 88.2 | Confident | 32 Ų | 32 | 69.4 Ų | 69.4 | 13% | 0.125 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.4 | -34.8 | 179.8 | 175.6 | -98.1 | 0 | 0 | 0 | 112 | L34 L61 A71 Q72 L73 P146 D147 N151 W152 H153 | L34-Y149 HydrophobicContact CD1-CD2 4.25Å; L34-Y149 HydrophobicContact CD1-CE2 3.93Å; L61-Y149 HydrophobicContact CD1-CD2 4.24Å; L61-Y149 HydrophobicContact CD1-CG 4.1Å; L61-Y149 HydrophobicContact CD2-CD1 4.16Å; L61-Y149 HydrophobicContact CD2-CG 4.03Å; A71-Y149 HydrophobicContact CB-CD1 4.35Å; A71-Y149 HydrophobicContact CB-CD2 4.38Å; A71-Y149 HydrophobicContact CB-CE1 3.81Å; A71-Y149 HydrophobicContact CB-CE2 3.83Å; Q72-Y149 PolarHBondContact N-OH 3.42Å; L73-Y149 HydrophobicContact CB-CE2 4.36Å; L73-Y149 HydrophobicContact CD1-CD2 4.48Å; L73-Y149 HydrophobicContact CD1-CE2 4.4Å; P146-Y149 WeakPolarHBondContact O-CB 3.44Å; P146-Y149 PolarHBondContact O-N 2.89Å; P146-Y149 VanDerWaalsContact O-N 3.15Å; D147-Y149 PolarHBondContact O-N 2.89Å; Y149-N151 VanDerWaalsContact C-N 3.33Å; Y149-N151 PolarHBondContact O-N 2.88Å; Y149-W152 PolarHBondContact O-N 2.99Å; Y149-H153 HydrophobicContact CE1-CB 4.24Å; Y149-H153 WeakPolarHBondContact O-CB 3.32Å; Y149-H153 PolarHBondContact O-N 3.29Å |
| 150 | R | 87.9 | Confident | 86.6 | Confident | 141 Ų | 141 | 65.9 Ų | 65.9 | 53% | 0.532 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 176.3 | -176.6 | 175.7 | 64 | -128.5 | -6 | 111 | D147 C148 W152 H153 E154 | D147-R150 PolarHBondContact O-N 2.89Å; C148-R150 PolarHBondContact O-N 3.36Å; R150-W152 VanDerWaalsContact C-N 3.33Å; R150-W152 PolarHBondContact O-N 3.03Å; R150-H153 PolarHBondContact O-N 3.45Å; R150-E154 WeakPolarHBondContact CG-OE1 3.19Å; R150-E154 WeakPolarHBondContact O-CG 3.4Å; R150-E154 PolarHBondContact O-N 2.7Å |
| 151 | N | 90.9 | Very high | 84.9 | Confident | 69 Ų | 69 | 70.6 Ų | 70.6 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 178.2 | -57.9 | -22.8 | 0 | 0 | 0 | 110.9 | C148 Y149 A155 | C148-N151 WeakPolarHBondContact O-CB 3.11Å; C148-N151 PolarHBondContact O-N 3.23Å; C148-N151 VanDerWaalsContact O-N 3.07Å; Y149-N151 VanDerWaalsContact C-N 3.33Å; Y149-N151 PolarHBondContact O-N 2.88Å; N151-A155 WeakPolarHBondContact O-CB 3.49Å; N151-A155 PolarHBondContact O-N 2.86Å |
| 152 | W | 92.3 | Very high | 82.9 | Confident | 3 Ų | 3 | 72.7 Ų | 72.7 | 1% | 0.011 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 178.5 | -56.9 | -11.8 | 0 | 0 | 0 | 112 | L34 M36 F57 V125 L133 I134 A137 E140 I141 C148 Y149 R150 A155 A156 | L34-W152 HydrophobicContact CD1-CB 3.7Å; M36-W152 HydrophobicContact CE-CH2 4.43Å; M36-W152 HydrophobicContact CE-CZ3 4.3Å; M36-W152 HydrophobicContact SD-CZ3 4.3Å; F57-W152 HydrophobicContact CE1-CH2 4.47Å; F57-W152 HydrophobicContact CE1-CZ3 4.18Å; F57-W152 AromaticContact CZ-CH2 3.97Å; F57-W152 HydrophobicContact CZ-CH2 3.97Å; F57-W152 AromaticContact CZ-CZ3 3.72Å; F57-W152 HydrophobicContact CZ-CZ3 3.72Å; V125-W152 HydrophobicContact CG1-CD2 4.35Å; V125-W152 HydrophobicContact CG1-CE3 4.14Å; V125-W152 HydrophobicContact CG2-CD2 4.35Å; V125-W152 HydrophobicContact CG2-CE3 4.14Å; V125-W152 HydrophobicContact CG2-CH2 3.9Å; V125-W152 HydrophobicContact CG2-CZ2 4.14Å; V125-W152 HydrophobicContact CG2-CZ3 3.92Å; L133-W152 HydrophobicContact CD2-CB 3.8Å; L133-W152 HydrophobicContact CD2-CG 4.35Å; L133-W152 WeakPolarHBondContact CD2-O 3.24Å; I134-W152 HydrophobicContact CD1-CD2 4.36Å; I134-W152 HydrophobicContact CD1-CG 4.08Å; I134-W152 HydrophobicContact CD1-CZ2 4.44Å; A137-W152 HydrophobicContact CB-CH2 3.83Å; A137-W152 HydrophobicContact CB-CZ2 3.6Å; E140-W152 HydrophobicContact CB-CZ2 4.28Å; E140-W152 PolarHBondContact OE2-NE1 3.38Å; I141-W152 HydrophobicContact CD1-CH2 3.98Å; I141-W152 HydrophobicContact CG1-CH2 3.64Å; I141-W152 HydrophobicContact CG1-CZ2 4.19Å; C148-W152 HydrophobicContact CB-CZ2 3.96Å; C148-W152 VanDerWaalsContact O-CD1 3.3Å; C148-W152 PolarHBondContact O-N 3.36Å; C148-W152 WeakPolarHBondContact SG-CH2 3.49Å; C148-W152 WeakPolarHBondContact SG-CZ2 3.43Å; Y149-W152 PolarHBondContact O-N 2.99Å; R150-W152 VanDerWaalsContact C-N 3.33Å; R150-W152 PolarHBondContact O-N 3.03Å; W152-A155 PolarHBondContact O-N 3.13Å; W152-A156 WeakPolarHBondContact O-CB 3.35Å; W152-A156 PolarHBondContact O-N 3.36Å |
| 153 | H | 88.6 | Confident | 80.8 | Confident | 45 Ų | 45 | 78.2 Ų | 78.2 | 21% | 0.208 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 178.4 | -176.4 | -82.6 | 0 | 0 | 0 | 111.5 | Y149 R150 L158 | Y149-H153 HydrophobicContact CE1-CB 4.24Å; Y149-H153 WeakPolarHBondContact O-CB 3.32Å; Y149-H153 PolarHBondContact O-N 3.29Å; R150-H153 PolarHBondContact O-N 3.45Å; H153-L158 PolarHBondContact O-N 3.33Å |
| 154 | E | 86.9 | Confident | 78.6 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 58% | 0.579 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.3 | -46.6 | 175.5 | -71.9 | 174.6 | -168 | 0 | 0 | 111.7 | R150 A156 E157 | R150-E154 WeakPolarHBondContact CG-OE1 3.19Å; R150-E154 WeakPolarHBondContact O-CG 3.4Å; R150-E154 PolarHBondContact O-N 2.7Å; E154-A156 VanDerWaalsContact C-N 3.26Å; E154-A156 PolarHBondContact O-N 3.05Å; E154-E157 PolarHBondContact O-N 2.91Å |
| 155 | A | 87.4 | Confident | 76.5 | Confident | 56 Ų | 56 | 81 Ų | 81 | 46% | 0.463 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.7 | -19.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L133 N151 W152 E157 | L133-A155 HydrophobicContact CD1-CB 3.87Å; N151-A155 WeakPolarHBondContact O-CB 3.49Å; N151-A155 PolarHBondContact O-N 2.86Å; W152-A155 PolarHBondContact O-N 3.13Å; A155-E157 VanDerWaalsContact C-N 3.28Å |
| 156 | A | 85.9 | Confident | 74.5 | Confident | 12 Ų | 12 | 85.4 Ų | 85.4 | 10% | 0.099 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L34 R127 L133 W152 E154 L158 | L34-A156 HydrophobicContact CD2-CB 3.57Å; R127-A156 HydrophobicContact CG-CB 4.02Å; L133-A156 HydrophobicContact CD2-CB 4.27Å; W152-A156 WeakPolarHBondContact O-CB 3.35Å; W152-A156 PolarHBondContact O-N 3.36Å; E154-A156 VanDerWaalsContact C-N 3.26Å; E154-A156 PolarHBondContact O-N 3.05Å; A156-L158 HydrophobicContact CB-CD1 4.26Å; A156-L158 HydrophobicContact CB-CG 3.97Å; A156-L158 PolarHBondContact O-N 3.08Å; A156-L158 VanDerWaalsContact O-N 3.08Å |
| 157 | E | 79.6 | Confident | 72.5 | Confident | 173 Ų | 173 | 89.5 Ų | 89.5 | 81% | 0.808 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 37.5 | -175.4 | -60.7 | -175.7 | 175.1 | 0 | 0 | 112 | E154 A155 I159 | E154-E157 PolarHBondContact O-N 2.91Å; A155-E157 VanDerWaalsContact C-N 3.28Å; E157-I159 PolarHBondContact O-N 3.32Å |
| 158 | L | 71.3 | Confident | 70.1 | Confident | 14 Ų | 14 | 91.2 Ų | 91.2 | 7% | 0.073 | 44% | 0.441 | C | S | . | . | trans | -61.9 | 109.8 | -177.1 | -87.4 | 171.4 | 0 | 0 | 0 | 109.1 | L34 P128 H153 A156 D160 | L34-L158 HydrophobicContact CD1-CD1 4.34Å; L34-L158 HydrophobicContact CD2-CD1 3.77Å; L34-L158 HydrophobicContact CD2-CG 4.49Å; L34-L158 HydrophobicContact CG-CD1 3.72Å; P128-L158 HydrophobicContact CG-CD2 3.38Å; P128-L158 HydrophobicContact CG-CG 4.43Å; H153-L158 PolarHBondContact O-N 3.33Å; A156-L158 HydrophobicContact CB-CD1 4.26Å; A156-L158 HydrophobicContact CB-CG 3.97Å; A156-L158 PolarHBondContact O-N 3.08Å; A156-L158 VanDerWaalsContact O-N 3.08Å; L158-D160 PolarHBondContact O-N 3.43Å; L158-D160 VanDerWaalsContact O-N 3.14Å | ||
| 159 | I | 64.8 | Low | 67.8 | Low | 123 Ų | 123 | 95.5 Ų | 95.5 | 63% | 0.631 | 46% | 0.46 | S | S | * | . | trans | -63.8 | 120.4 | 172.7 | -60.7 | 175.8 | 0 | 0 | 0 | 106.5 | E157 R161 | E157-I159 PolarHBondContact O-N 3.32Å; I159-R161 VanDerWaalsContact C-N 3.29Å; I159-R161 HydrophobicContact CG2-CG 4.5Å; I159-R161 PolarHBondContact O-N 2.91Å | ||
| 160 | D | 61.5 | Low | 65.4 | Low | 75 Ų | 75 | 101 Ų | 101 | 40% | 0.401 | 49% | 0.487 | S | S | . | . | trans | -71.3 | 89.8 | 179 | -157.7 | 8.5 | 0 | 0 | 0 | 109.7 | L158 N162 | L158-D160 PolarHBondContact O-N 3.43Å; L158-D160 VanDerWaalsContact O-N 3.14Å; D160-N162 VanDerWaalsContact CG-CB 3.48Å; D160-N162 VanDerWaalsContact CG-CG 3.42Å; D160-N162 PolarHBondContact O-N 3.16Å; D160-N162 WeakPolarHBondContact OD1-CB 3.27Å; D160-N162 PolarHBondContact OD1-ND2 3.09Å; D160-N162 PolarHBondContact OD1-OD1 3.48Å; D160-N162 WeakPolarHBondContact OD2-CB 3.4Å; D160-N162 PolarHBondContact OD2-ND2 2.96Å | ||
| 161 | R | 58.3 | Low | 63.2 | Low | 156 Ų | 156 | 101 Ų | 101 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | trans | -72 | 16 | 174.9 | -63.9 | -163.3 | -177.1 | -154.9 | 0.4 | 112.4 | I159 F163 L164 | I159-R161 VanDerWaalsContact C-N 3.29Å; I159-R161 HydrophobicContact CG2-CG 4.5Å; I159-R161 PolarHBondContact O-N 2.91Å; R161-F163 PolarHBondContact O-N 3.06Å; R161-L164 PolarHBondContact O-N 2.94Å; R161-L164 VanDerWaalsContact O-N 3.11Å | ||
| 162 | N | 51.8 | Low | 60.7 | Low | 45 Ų | 45 | 106.2 Ų | 106.2 | 24% | 0.241 | 52% | 0.517 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 3.1 | 177.5 | -85.8 | -16.1 | 0 | 0 | 0 | 115.9 | R69 D160 L164 | R69-N162 WeakPolarHBondContact CD-ND2 3.47Å; R69-N162 VanDerWaalsContact CZ-CG 3.42Å; R69-N162 VanDerWaalsContact CZ-ND2 3.34Å; R69-N162 PolarHBondContact NE-ND2 3.48Å; R69-N162 PolarHBondContact NH1-ND2 3.02Å; R69-N162 PolarHBondContact NH1-OD1 2.94Å; D160-N162 VanDerWaalsContact CG-CB 3.48Å; D160-N162 VanDerWaalsContact CG-CG 3.42Å; D160-N162 PolarHBondContact O-N 3.16Å; D160-N162 WeakPolarHBondContact OD1-CB 3.27Å; D160-N162 PolarHBondContact OD1-ND2 3.09Å; D160-N162 PolarHBondContact OD1-OD1 3.48Å; D160-N162 WeakPolarHBondContact OD2-CB 3.4Å; D160-N162 PolarHBondContact OD2-ND2 2.96Å; N162-L164 VanDerWaalsContact C-N 3.27Å |
| 163 | F | 50.8 | Low | 58.2 | Low | 204 Ų | 204 | 108.9 Ų | 108.9 | 90% | 0.895 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14.1 | 165.2 | -65.4 | -76.5 | 0 | 0 | 0 | 113 | R161 | R161-F163 PolarHBondContact O-N 3.06Š|
| 164 | L | 48 | Very low | 56.1 | Low | 117 Ų | 117 | 115.5 Ų | 115.5 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -86.5 | 126.1 | 163.5 | -105.7 | 68 | 0 | 0 | 0 | 108.7 | R161 N162 | R161-L164 PolarHBondContact O-N 2.94Å; R161-L164 VanDerWaalsContact O-N 3.11Å; N162-L164 VanDerWaalsContact C-N 3.27Å |
| 165 | N | 48 | Very low | 54.5 | Low | 155 Ų | 155 | 117 Ų | 117 | 83% | 0.829 | 57% | 0.569 | S | S | * | * | trans | -51.1 | 147.7 | 170 | -76.1 | -38.5 | 0 | 0 | 0 | 110.3 | E167 | N165-E167 PolarHBondContact O-N 3.02Š| ||
| 166 | K | 49.6 | Very low | 52.9 | Low | 111 Ų | 111 | 117.3 Ų | 117.3 | 48% | 0.483 | 57% | 0.568 | S | S | . | * | trans | -30.1 | 105.4 | 176.6 | -84.4 | -176.8 | 175.2 | -178.2 | 0 | 108.9 | E64 D168 | E64-K166 IonicContact OE1-NZ 3.81Å; E64-K166 PolarHBondContact OE1-NZ 3.06Å; K166-D168 VanDerWaalsContact C-N 3.3Å; K166-D168 PolarHBondContact O-N 2.8Å | ||
| 167 | E | 47.6 | Very low | 51.4 | Low | 125 Ų | 125 | 126.3 Ų | 126.3 | 58% | 0.584 | 61% | 0.605 | S | S | * | * | trans | -61.2 | 107.8 | 165.9 | -75.6 | -174.7 | 164.8 | 0 | 0 | 104.8 | N165 F169 | N165-E167 PolarHBondContact O-N 3.02Å; E167-F169 PolarHBondContact O-N 2.85Å | ||
| 168 | D | 39 | Very low | 50.6 | Low | 136 Ų | 136 | 119.7 Ų | 119.7 | 73% | 0.727 | 58% | 0.578 | S | S | * | * | trans | -52.4 | 85.1 | 176.7 | -70.2 | -56.5 | 0 | 0 | 0 | 109 | K166 E170 | K166-D168 VanDerWaalsContact C-N 3.3Å; K166-D168 PolarHBondContact O-N 2.8Å; D168-E170 PolarHBondContact O-N 2.95Å | ||
| 169 | F | 42.8 | Very low | 50.2 | Low | 90 Ų | 90 | 121 Ų | 121 | 40% | 0.395 | 59% | 0.585 | S | S | . | * | trans | -83.6 | 24.8 | 167.9 | -115.5 | -77.6 | 0 | 0 | 0 | 110.8 | T28 R29 E167 | T28-F169 HydrophobicContact CG2-CE2 4.16Å; T28-F169 HydrophobicContact CG2-CZ 4.16Å; R29-F169 HydrophobicContact CB-CZ 4.36Å; R29-F169 HydrophobicContact CG-CE1 3.56Å; R29-F169 HydrophobicContact CG-CZ 3.58Å; R29-F169 VanDerWaalsContact NH1-CE1 3.28Å; E167-F169 PolarHBondContact O-N 2.85Å | ||
| 170 | E | 40.3 | Very low | 50.2 | Low | 148 Ų | 148 | 119.3 Ų | 119.3 | 69% | 0.692 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -102 | 126.7 | 157.4 | -71.9 | -156.9 | 160.1 | 0 | 0 | 109.4 | D168 K172 | D168-E170 PolarHBondContact O-N 2.95Å; E170-K172 PolarHBondContact O-N 3.03Å |
| 171 | D | 42.4 | Very low | 50.5 | Low | 141 Ų | 141 | 120.1 Ų | 120.1 | 75% | 0.754 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -53.1 | 65.9 | 170 | -173.4 | 21.8 | 0 | 0 | 0 | 113.5 | ||
| 172 | K | 38.1 | Very low | 50.8 | Low | 178 Ų | 178 | 119.2 Ų | 119.2 | 77% | 0.774 | 59% | 0.586 | S | S | * | * | trans | -112 | 86.1 | 143.6 | -71.9 | 171.5 | -172 | 151.8 | 0 | 104.1 | E170 M174 | E170-K172 PolarHBondContact O-N 3.03Å; K172-M174 PolarHBondContact O-N 2.93Å | ||
| 173 | S | 40.7 | Very low | 51.4 | Low | 59 Ų | 59 | 124.3 Ų | 124.3 | 41% | 0.413 | 60% | 0.602 | S | S | . | * | trans | -43.2 | 118.4 | 154 | 76 | 0 | 0 | 0 | 0 | 106.2 | R175 | S173-R175 PolarHBondContact O-N 3.49Å; S173-R175 WeakPolarHBondContact OG-CB 3.36Å; S173-R175 WeakPolarHBondContact OG-CD 3.43Å; S173-R175 WeakPolarHBondContact OG-CG 3.49Å; S173-R175 PolarHBondContact OG-NE 3.34Å | ||
| 174 | M | 43.9 | Very low | 51.7 | Low | 183 Ų | 183 | 120.1 Ų | 120.1 | 90% | 0.901 | 59% | 0.588 | S | S | * | * | trans | -66.1 | 56.5 | 156.2 | -70 | -166.6 | -117.2 | 0 | 0 | 107.1 | K172 S176 | K172-M174 PolarHBondContact O-N 2.93Å; M174-S176 PolarHBondContact O-N 3.28Å; M174-S176 VanDerWaalsContact O-N 3.09Å | ||
| 175 | R | 52.1 | Low | 52.4 | Low | 157 Ų | 157 | 120.6 Ų | 120.6 | 59% | 0.592 | 59% | 0.585 | S | S | * | * | trans | -56.2 | 115.9 | 152.2 | -83.6 | 168.8 | -163.2 | -179.4 | 7.3 | 103.1 | S173 F177 D179 | S173-R175 PolarHBondContact O-N 3.49Å; S173-R175 WeakPolarHBondContact OG-CB 3.36Å; S173-R175 WeakPolarHBondContact OG-CD 3.43Å; S173-R175 WeakPolarHBondContact OG-CG 3.49Å; S173-R175 PolarHBondContact OG-NE 3.34Å; R175-F177 PolarHBondContact O-N 2.87Å; R175-D179 HydrophobicContact CB-CB 3.83Å; R175-D179 WeakPolarHBondContact CD-OD2 3.41Å; R175-D179 HydrophobicContact CG-CB 4.28Å; R175-D179 WeakPolarHBondContact CG-OD2 3.36Å | ||
| 176 | S | 53.8 | Low | 52.7 | Low | 61 Ų | 61 | 120.1 Ų | 120.1 | 43% | 0.427 | 57% | 0.573 | S | S | . | * | trans | -38 | 139.5 | 172.2 | 172.3 | 0 | 0 | 0 | 0 | 108.6 | M174 S178 D179 | M174-S176 PolarHBondContact O-N 3.28Å; M174-S176 VanDerWaalsContact O-N 3.09Å; S176-S178 PolarHBondContact O-N 3.43Å; S176-S178 PolarHBondContact OG-N 2.89Å; S176-S178 PolarHBondContact OG-OG 2.94Å; S176-D179 WeakPolarHBondContact O-CB 3.47Å; S176-D179 PolarHBondContact O-N 3Å | ||
| 177 | F | 55.4 | Low | 53 | Low | 201 Ų | 201 | 122 Ų | 122 | 88% | 0.882 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.5 | -21.7 | 170.8 | 176.1 | -101.6 | 0 | 0 | 0 | 112.6 | R175 | R175-F177 PolarHBondContact O-N 2.87Š|
| 178 | S | 62.1 | Low | 53.3 | Low | 35 Ų | 35 | 119.8 Ų | 119.8 | 25% | 0.245 | 58% | 0.576 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | -5 | 173.4 | 73.3 | 0 | 0 | 0 | 0 | 116.3 | S176 V181 R182 | S176-S178 PolarHBondContact O-N 3.43Å; S176-S178 PolarHBondContact OG-N 2.89Å; S176-S178 PolarHBondContact OG-OG 2.94Å; S178-V181 CarbonylContact O-C 3.54Å; S178-V181 WeakPolarHBondContact O-CA 3.47Å; S178-V181 WeakPolarHBondContact O-CB 3.16Å; S178-V181 PolarHBondContact O-N 2.69Å; S178-V181 VanDerWaalsContact O-N 3.09Å; S178-R182 WeakPolarHBondContact O-CB 3.4Å; S178-R182 WeakPolarHBondContact O-CG 3.49Å; S178-R182 PolarHBondContact O-N 2.88Å; S178-R182 PolarHBondContact OG-NE 3.07Å |
| 179 | D | 64.4 | Low | 53.9 | Low | 40 Ų | 40 | 117 Ų | 117 | 21% | 0.214 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -64.1 | -42.6 | -175.5 | -161.6 | 46.9 | 0 | 0 | 0 | 113.2 | R175 S176 V181 R182 R183 | R175-D179 HydrophobicContact CB-CB 3.83Å; R175-D179 WeakPolarHBondContact CD-OD2 3.41Å; R175-D179 HydrophobicContact CG-CB 4.28Å; R175-D179 WeakPolarHBondContact CG-OD2 3.36Å; S176-D179 WeakPolarHBondContact O-CB 3.47Å; S176-D179 PolarHBondContact O-N 3Å; D179-V181 VanDerWaalsContact C-N 3.26Å; D179-V181 PolarHBondContact O-N 3.36Å; D179-R182 PolarHBondContact O-N 3.47Å; D179-R183 WeakPolarHBondContact O-CB 3.2Å; D179-R183 PolarHBondContact O-N 3.46Å; D179-R183 IonicContact OD2-NH2 3.88Å; D179-R183 PolarHBondContact OD2-NH2 3.05Å |
| 180 | P | 64.5 | Low | 54.5 | Low | 88 Ų | 88 | 118.4 Ų | 118.4 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -58.8 | -39.1 | 170 | -23.3 | 34.5 | 0 | 0 | 0 | 112.3 | L184 | P180-L184 PolarHBondContact O-N 3.26Å |
| 181 | V | 66.7 | Low | 55.6 | Low | 93 Ų | 93 | 116 Ų | 116 | 56% | 0.564 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.2 | -40.4 | -179.7 | -178 | 0 | 0 | 0 | 0 | 111.4 | S178 D179 L184 K185 | S178-V181 CarbonylContact O-C 3.54Å; S178-V181 WeakPolarHBondContact O-CA 3.47Å; S178-V181 WeakPolarHBondContact O-CB 3.16Å; S178-V181 PolarHBondContact O-N 2.69Å; S178-V181 VanDerWaalsContact O-N 3.09Å; D179-V181 VanDerWaalsContact C-N 3.26Å; D179-V181 PolarHBondContact O-N 3.36Å; V181-L184 PolarHBondContact O-N 2.8Å; V181-K185 WeakPolarHBondContact O-CB 3.38Å; V181-K185 PolarHBondContact O-N 3.35Å |
| 182 | R | 65.4 | Low | 56.5 | Low | 136 Ų | 136 | 114.1 Ų | 114.1 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 175.3 | -76.7 | 178 | -175.9 | -169.3 | -1.3 | 110.4 | S178 D179 L184 K185 Y186 | S178-R182 WeakPolarHBondContact O-CB 3.4Å; S178-R182 WeakPolarHBondContact O-CG 3.49Å; S178-R182 PolarHBondContact O-N 2.88Å; S178-R182 PolarHBondContact OG-NE 3.07Å; D179-R182 PolarHBondContact O-N 3.47Å; R182-L184 VanDerWaalsContact C-N 3.34Å; R182-L184 PolarHBondContact O-N 3.27Å; R182-K185 PolarHBondContact O-N 3.02Å; R182-Y186 HydrophobicContact CB-CD2 4.38Å; R182-Y186 HydrophobicContact CB-CE2 4.18Å; R182-Y186 WeakPolarHBondContact O-CD2 3.22Å; R182-Y186 PolarHBondContact O-N 3.47Å |
| 183 | R | 64.1 | Low | 57.6 | Low | 152 Ų | 152 | 112.6 Ų | 112.6 | 57% | 0.574 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.3 | -39.4 | 178.4 | -145.6 | 177.4 | -72.2 | -168 | -0.8 | 111.6 | D179 K187 | D179-R183 WeakPolarHBondContact O-CB 3.2Å; D179-R183 PolarHBondContact O-N 3.46Å; D179-R183 IonicContact OD2-NH2 3.88Å; D179-R183 PolarHBondContact OD2-NH2 3.05Å; R183-K187 WeakPolarHBondContact O-CB 3.38Å; R183-K187 PolarHBondContact O-N 3.14Å |
| 184 | L | 57.8 | Low | 58.7 | Low | 117 Ų | 117 | 114.7 Ų | 114.7 | 61% | 0.613 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 170.3 | -96.6 | 146.5 | 0 | 0 | 0 | 112.3 | P180 V181 R182 K187 V188 | P180-L184 PolarHBondContact O-N 3.26Å; V181-L184 PolarHBondContact O-N 2.8Å; R182-L184 VanDerWaalsContact C-N 3.34Å; R182-L184 PolarHBondContact O-N 3.27Å; L184-K187 PolarHBondContact O-N 2.81Å; L184-V188 WeakPolarHBondContact O-CB 3.42Å; L184-V188 WeakPolarHBondContact O-CG2 3.37Å; L184-V188 PolarHBondContact O-N 3.13Å |
| 185 | K | 61.8 | Low | 59.6 | Low | 126 Ų | 126 | 112.7 Ų | 112.7 | 55% | 0.548 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 179.3 | -170.1 | 178.1 | 178.7 | -176.8 | 0 | 111.8 | V181 R182 K187 V188 E189 | V181-K185 WeakPolarHBondContact O-CB 3.38Å; V181-K185 PolarHBondContact O-N 3.35Å; R182-K185 PolarHBondContact O-N 3.02Å; K185-K187 PolarHBondContact O-N 3.15Å; K185-V188 PolarHBondContact O-N 2.91Å; K185-E189 VanDerWaalsContact CE-OE1 3.3Å; K185-E189 WeakPolarHBondContact CE-OE1 3.2Å; K185-E189 WeakPolarHBondContact O-CG 3.31Å; K185-E189 PolarHBondContact O-N 2.86Å |
| 186 | Y | 54.9 | Low | 60.3 | Low | 145 Ų | 145 | 111.4 Ų | 111.4 | 57% | 0.569 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.5 | -36.3 | 179.2 | -66.7 | -59.4 | 0 | 0 | 0 | 112.5 | R182 V188 E189 E190 | R182-Y186 HydrophobicContact CB-CD2 4.38Å; R182-Y186 HydrophobicContact CB-CE2 4.18Å; R182-Y186 WeakPolarHBondContact O-CD2 3.22Å; R182-Y186 PolarHBondContact O-N 3.47Å; Y186-V188 VanDerWaalsContact C-N 3.34Å; Y186-V188 PolarHBondContact O-N 2.9Å; Y186-E189 PolarHBondContact O-N 2.74Å; Y186-E190 PolarHBondContact O-N 2.82Å |
| 187 | K | 56 | Low | 60.8 | Low | 151 Ų | 151 | 113.8 Ų | 113.8 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -37 | 174.4 | -166.1 | 166.1 | -176.5 | 174.2 | 0 | 112.1 | R183 L184 K185 E191 | R183-K187 WeakPolarHBondContact O-CB 3.38Å; R183-K187 PolarHBondContact O-N 3.14Å; L184-K187 PolarHBondContact O-N 2.81Å; K185-K187 PolarHBondContact O-N 3.15Å; K187-E191 WeakPolarHBondContact O-CB 3.35Å; K187-E191 WeakPolarHBondContact O-CG 3.39Å; K187-E191 PolarHBondContact O-N 3.36Å; K187-E191 VanDerWaalsContact O-N 3.15Å |
| 188 | V | 53.8 | Low | 61.2 | Low | 78 Ų | 78 | 111.8 Ų | 111.8 | 47% | 0.473 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.9 | -42.5 | 173.8 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | L184 K185 Y186 E190 E191 E192 | L184-V188 WeakPolarHBondContact O-CB 3.42Å; L184-V188 WeakPolarHBondContact O-CG2 3.37Å; L184-V188 PolarHBondContact O-N 3.13Å; K185-V188 PolarHBondContact O-N 2.91Å; Y186-V188 VanDerWaalsContact C-N 3.34Å; Y186-V188 PolarHBondContact O-N 2.9Å; V188-E190 PolarHBondContact O-N 3.4Å; V188-E191 PolarHBondContact O-N 3.39Å; V188-E192 WeakPolarHBondContact O-CB 3.24Å; V188-E192 WeakPolarHBondContact O-CG 3.41Å; V188-E192 PolarHBondContact O-N 3.43Å |
| 189 | E | 51.7 | Low | 61.3 | Low | 79 Ų | 79 | 118 Ų | 118 | 37% | 0.369 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 178.6 | -73.8 | -179.9 | -171.5 | 0 | 0 | 112.6 | K185 Y186 K193 | K185-E189 VanDerWaalsContact CE-OE1 3.3Å; K185-E189 WeakPolarHBondContact CE-OE1 3.2Å; K185-E189 WeakPolarHBondContact O-CG 3.31Å; K185-E189 PolarHBondContact O-N 2.86Å; Y186-E189 PolarHBondContact O-N 2.74Å; E189-K193 WeakPolarHBondContact O-CB 3.2Å; E189-K193 VanDerWaalsContact O-CG 3.3Å; E189-K193 WeakPolarHBondContact O-CG 3.42Å; E189-K193 PolarHBondContact O-N 2.98Å |
| 190 | E | 55.2 | Low | 61.2 | Low | 119 Ų | 119 | 124.1 Ų | 124.1 | 56% | 0.556 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.4 | -43.4 | 173.2 | -76.7 | -163.1 | 169.1 | 0 | 0 | 113.1 | Y186 V188 E192 K193 K194 | Y186-E190 PolarHBondContact O-N 2.82Å; V188-E190 PolarHBondContact O-N 3.4Å; E190-E192 VanDerWaalsContact C-N 3.33Å; E190-E192 PolarHBondContact O-N 2.68Å; E190-K193 PolarHBondContact O-N 3.24Å; E190-K194 WeakPolarHBondContact O-CB 3.47Å; E190-K194 WeakPolarHBondContact O-CG 3.14Å; E190-K194 PolarHBondContact O-N 3.2Å |
| 191 | E | 62.8 | Low | 61 | Low | 98 Ų | 98 | 126.8 Ų | 126.8 | 46% | 0.458 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64 | -38.6 | 176.5 | -77.6 | -64.4 | 137.6 | 0 | 0 | 111.7 | K187 V188 K195 | K187-E191 WeakPolarHBondContact O-CB 3.35Å; K187-E191 WeakPolarHBondContact O-CG 3.39Å; K187-E191 PolarHBondContact O-N 3.36Å; K187-E191 VanDerWaalsContact O-N 3.15Å; V188-E191 PolarHBondContact O-N 3.39Å; E191-K195 WeakPolarHBondContact O-CB 3.26Å; E191-K195 WeakPolarHBondContact O-CG 3.45Å; E191-K195 PolarHBondContact O-N 2.92Å |
| 192 | E | 61.1 | Low | 60.6 | Low | 100 Ų | 100 | 130.1 Ų | 130.1 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.4 | -44.4 | 172.4 | -83.2 | -145.2 | 171.4 | 0 | 0 | 112.5 | V188 E190 K195 K196 | V188-E192 WeakPolarHBondContact O-CB 3.24Å; V188-E192 WeakPolarHBondContact O-CG 3.41Å; V188-E192 PolarHBondContact O-N 3.43Å; E190-E192 VanDerWaalsContact C-N 3.33Å; E190-E192 PolarHBondContact O-N 2.68Å; E192-K195 PolarHBondContact O-N 3.35Å; E192-K196 WeakPolarHBondContact O-CB 3.17Å; E192-K196 WeakPolarHBondContact O-CG 3.25Å; E192-K196 PolarHBondContact O-N 3.4Å; E192-K196 IonicContact OE2-NZ 3.01Å; E192-K196 PolarHBondContact OE2-NZ 2.96Å |
| 193 | K | 61.9 | Low | 60.2 | Low | 146 Ų | 146 | 130.9 Ų | 130.9 | 64% | 0.635 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61 | -46.8 | 176 | -79.2 | 174.6 | -179 | 174 | 0 | 110.6 | E189 E190 K195 K196 E197 | E189-K193 WeakPolarHBondContact O-CB 3.2Å; E189-K193 VanDerWaalsContact O-CG 3.3Å; E189-K193 WeakPolarHBondContact O-CG 3.42Å; E189-K193 PolarHBondContact O-N 2.98Å; E190-K193 PolarHBondContact O-N 3.24Å; K193-K195 PolarHBondContact O-N 2.95Å; K193-K196 PolarHBondContact O-N 3.49Å; K193-E197 WeakPolarHBondContact O-CB 3.32Å; K193-E197 PolarHBondContact O-N 3.11Å |
| 194 | K | 63.7 | Low | 59.8 | Low | 103 Ų | 103 | 131 Ų | 131 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.7 | -40 | 176.1 | -75.9 | 173.2 | -179.9 | 164.3 | 0 | 112.4 | E190 E197 K198 | E190-K194 WeakPolarHBondContact O-CB 3.47Å; E190-K194 WeakPolarHBondContact O-CG 3.14Å; E190-K194 PolarHBondContact O-N 3.2Å; K194-E197 PolarHBondContact O-N 2.82Å; K194-K198 WeakPolarHBondContact O-CB 3.22Å; K194-K198 WeakPolarHBondContact O-CG 3.49Å; K194-K198 PolarHBondContact O-N 2.8Å |
| 195 | K | 63.2 | Low | 59.7 | Low | 142 Ų | 142 | 133.7 Ų | 133.7 | 62% | 0.617 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.5 | -41.3 | 174.2 | -84.3 | 179.2 | 179.8 | 171.8 | 0 | 112.5 | E191 E192 K193 K198 K199 | E191-K195 WeakPolarHBondContact O-CB 3.26Å; E191-K195 WeakPolarHBondContact O-CG 3.45Å; E191-K195 PolarHBondContact O-N 2.92Å; E192-K195 PolarHBondContact O-N 3.35Å; K193-K195 PolarHBondContact O-N 2.95Å; K195-K198 PolarHBondContact O-N 2.9Å; K195-K199 WeakPolarHBondContact O-CB 3.44Å; K195-K199 PolarHBondContact O-N 2.71Å |
| 196 | K | 65.9 | Low | 59.2 | Low | 129 Ų | 129 | 134.8 Ų | 134.8 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.3 | -39.2 | 175.7 | -78.3 | 168.4 | 178.1 | 153.3 | 0 | 111.3 | E192 K193 K199 K200 | E192-K196 WeakPolarHBondContact O-CB 3.17Å; E192-K196 WeakPolarHBondContact O-CG 3.25Å; E192-K196 PolarHBondContact O-N 3.4Å; E192-K196 IonicContact OE2-NZ 3.01Å; E192-K196 PolarHBondContact OE2-NZ 2.96Å; K193-K196 PolarHBondContact O-N 3.49Å; K196-K199 PolarHBondContact O-N 2.95Å; K196-K200 WeakPolarHBondContact O-CB 3.38Å; K196-K200 PolarHBondContact O-N 2.89Å |
| 197 | E | 65.3 | Low | 58.9 | Low | 112 Ų | 112 | 132.7 Ų | 132.7 | 52% | 0.523 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.3 | -44.3 | 174.2 | -118.3 | -165.7 | 135.8 | 0 | 0 | 112.6 | K193 K194 K199 K200 K201 | K193-E197 WeakPolarHBondContact O-CB 3.32Å; K193-E197 PolarHBondContact O-N 3.11Å; K194-E197 PolarHBondContact O-N 2.82Å; E197-K199 PolarHBondContact O-N 3.38Å; E197-K200 PolarHBondContact O-N 3.26Å; E197-K201 WeakPolarHBondContact O-CB 3.2Å; E197-K201 PolarHBondContact O-N 2.92Å |
| 198 | K | 64.1 | Low | 58.6 | Low | 159 Ų | 159 | 136 Ų | 136 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62 | -41.1 | 174.1 | -78.1 | 179.4 | 178.6 | 177 | 0 | 111.6 | K194 K195 K201 K202 | K194-K198 WeakPolarHBondContact O-CB 3.22Å; K194-K198 WeakPolarHBondContact O-CG 3.49Å; K194-K198 PolarHBondContact O-N 2.8Å; K195-K198 PolarHBondContact O-N 2.9Å; K198-K201 PolarHBondContact O-N 3.26Å; K198-K202 WeakPolarHBondContact O-CB 3.37Å; K198-K202 PolarHBondContact O-N 3.28Å |
| 199 | K | 62.7 | Low | 58.2 | Low | 165 Ų | 165 | 135 Ų | 135 | 72% | 0.717 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.4 | -42.6 | 173.5 | -85.9 | -175.3 | 175.3 | 179.2 | 0 | 112 | K195 K196 E197 K202 K203 | K195-K199 WeakPolarHBondContact O-CB 3.44Å; K195-K199 PolarHBondContact O-N 2.71Å; K196-K199 PolarHBondContact O-N 2.95Å; E197-K199 PolarHBondContact O-N 3.38Å; K199-K202 PolarHBondContact O-N 3.14Å; K199-K203 WeakPolarHBondContact O-CB 3.47Å; K199-K203 PolarHBondContact O-N 3.1Å |
| 200 | K | 62.6 | Low | 57.8 | Low | 168 Ų | 168 | 143.2 Ų | 143.2 | 73% | 0.73 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -61.6 | -44.9 | 173.7 | -86.9 | -174.4 | 174.4 | -179.5 | 0 | 111.9 | K196 E197 K203 K204 | K196-K200 WeakPolarHBondContact O-CB 3.38Å; K196-K200 PolarHBondContact O-N 2.89Å; E197-K200 PolarHBondContact O-N 3.26Å; K200-K203 PolarHBondContact O-N 2.75Å; K200-K204 WeakPolarHBondContact O-CB 3.42Å; K200-K204 PolarHBondContact O-N 3.07Å |
| 201 | K | 61.3 | Low | 57.2 | Low | 144 Ų | 144 | 141.2 Ų | 141.2 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63 | -40.5 | 175.7 | -79.8 | -179.9 | 176.4 | 170.7 | 0 | 112.2 | E197 K198 K204 K205 | E197-K201 WeakPolarHBondContact O-CB 3.2Å; E197-K201 PolarHBondContact O-N 2.92Å; K198-K201 PolarHBondContact O-N 3.26Å; K201-K204 PolarHBondContact O-N 3.44Å; K201-K205 PolarHBondContact O-N 3.26Å |
| 202 | K | 57.6 | Low | 56 | Low | 164 Ų | 164 | 141.8 Ų | 141.8 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -68 | -41.9 | 177.7 | -157.7 | 172.8 | -175.5 | 178.5 | 0 | 112 | K198 K199 K205 Q206 | K198-K202 WeakPolarHBondContact O-CB 3.37Å; K198-K202 PolarHBondContact O-N 3.28Å; K199-K202 PolarHBondContact O-N 3.14Å; K202-K205 PolarHBondContact O-N 3.18Å; K202-Q206 PolarHBondContact O-N 3.48Å |
| 203 | K | 56.8 | Low | 54.7 | Low | 152 Ų | 152 | 141.1 Ų | 141.1 | 66% | 0.661 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -67.2 | -37.9 | 176.1 | -150.3 | 173.4 | -174.5 | -179.1 | 0 | 112 | K199 K200 Q206 C207 | K199-K203 WeakPolarHBondContact O-CB 3.47Å; K199-K203 PolarHBondContact O-N 3.1Å; K200-K203 PolarHBondContact O-N 2.75Å; K203-Q206 PolarHBondContact O-N 3.24Å; K203-C207 PolarHBondContact O-N 3.22Å; K203-C207 PolarHBondContact O-SG 3.5Å; K203-C207 VanDerWaalsContact O-SG 3.41Å |
| 204 | K | 55.3 | Low | 53.4 | Low | 153 Ų | 153 | 137.6 Ų | 137.6 | 67% | 0.665 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -67.8 | -32.3 | 174.1 | -161.8 | 173.5 | -175.7 | 177.1 | 0 | 112.9 | K200 K201 | K200-K204 WeakPolarHBondContact O-CB 3.42Å; K200-K204 PolarHBondContact O-N 3.07Å; K201-K204 PolarHBondContact O-N 3.44Å |
| 205 | K | 55.7 | Low | 52 | Low | 174 Ų | 174 | 140.5 Ų | 140.5 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -68.3 | -39.5 | 169.4 | -100.7 | -174.2 | 173.9 | -175.7 | 0 | 112.1 | K201 K202 R208 | K201-K205 PolarHBondContact O-N 3.26Å; K202-K205 PolarHBondContact O-N 3.18Å; K205-R208 PolarHBondContact O-N 3.02Å |
| 206 | Q | 51.8 | Low | 50.9 | Low | 149 Ų | 149 | 142.6 Ų | 142.6 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -70 | -37.9 | -179.5 | -159.5 | 171.2 | 12.4 | 0 | 0 | 112.6 | K202 K203 R208 G209 | K202-Q206 PolarHBondContact O-N 3.48Å; K203-Q206 PolarHBondContact O-N 3.24Å; Q206-R208 VanDerWaalsContact C-N 3.26Å; Q206-R208 PolarHBondContact O-N 3.05Å; Q206-G209 PolarHBondContact O-N 3.13Å |
| 207 | C | 47.9 | Very low | 49.3 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -13.9 | 174.8 | -65.3 | 0 | 0 | 0 | 0 | 114.4 | K203 | K203-C207 PolarHBondContact O-N 3.22Å; K203-C207 PolarHBondContact O-SG 3.5Å; K203-C207 VanDerWaalsContact O-SG 3.41Å |
| 208 | R | 49.3 | Very low | 48 | Very low | 220 Ų | 220 | 143.2 Ų | 143.2 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -5.8 | 172.9 | -82.9 | -175.7 | 152.1 | -174.6 | -7.7 | 113.4 | K205 Q206 | K205-R208 PolarHBondContact O-N 3.02Å; Q206-R208 VanDerWaalsContact C-N 3.26Å; Q206-R208 PolarHBondContact O-N 3.05Å |
| 209 | G | 47.2 | Very low | 46.8 | Very low | 58 Ų | 58 | 144 Ų | 144 | 60% | 0.598 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -95.8 | -6.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q206 | Q206-G209 PolarHBondContact O-N 3.13Š|
| 210 | W | 42.5 | Very low | 45.7 | Very low | 252 Ų | 252 | 140.9 Ų | 140.9 | 96% | 0.955 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -126.5 | 93.2 | 175.8 | -77.1 | -18.8 | 0 | 0 | 0 | 109.6 | ||
| 211 | G | 42.7 | Very low | 44.5 | Very low | 76 Ų | 76 | 136.2 Ų | 136.2 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | 167 | 66.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 212 | A | 36.7 | Very low | 43.6 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | 173.3 | 124.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 213 | G | 34.9 | Very low | 42.9 | Very low | 85 Ų | 85 | 132.1 Ų | 132.1 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | 142.5 | 61.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 214 | G | 33.9 | Very low | 42.2 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -103.7 | 139.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 215 | D | 34.7 | Very low | 41.6 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | 74.7 | 153.8 | 149.6 | -121.5 | -84.2 | 0 | 0 | 0 | 122.7 | ||||
| 216 | E | 39.6 | Very low | 40.8 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | 80.4 | 118.2 | -175.1 | -52.8 | -175.1 | 174.2 | 0 | 0 | 115.7 | ||||
| 217 | G | 33.1 | Very low | 40.2 | Very low | 69 Ų | 69 | 137.7 Ų | 137.7 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | cis | 111.2 | 120.3 | 18.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 218 | E | 36.7 | Very low | 39.8 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | trans | 67.2 | 151 | 164.8 | -71.6 | 178.6 | 137.6 | 0 | 0 | 117.8 | ||||
| 219 | E | 38.7 | Very low | 39.2 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 82% | 0.822 | 84% | 0.841 | S | S | * | * | cis | -161.4 | -179.8 | -9.9 | -128.8 | -166.8 | 168.6 | 0 | 0 | 107.5 | ||||
| 220 | A | 39.8 | Very low | 38.6 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 83% | 0.826 | 86% | 0.857 | S | S | * | * | trans | -54.6 | 165.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 221 | G | 38.9 | Very low | 38.3 | Very low | 69 Ų | 69 | 131.9 Ų | 131.9 | 71% | 0.711 | 85% | 0.85 | S | S | * | * | trans | 142.5 | 84.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 222 | V | 42.5 | Very low | 38 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 93% | 0.927 | 86% | 0.855 | S | S | * | * | 49.9 | 116.5 | 91.7 | -178 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 223 | G | 42.8 | Very low | 38.1 | Very low | 69 Ų | 69 | 138.3 Ų | 138.3 | 71% | 0.711 | 85% | 0.85 | S | S | * | * | trans | 120.1 | 101.9 | 134.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 224 | R | 41.8 | Very low | 38.4 | Very low | 332 Ų | 332 | 143.2 Ų | 143.2 | 100% | 1.253 | 85% | 0.847 | S | S | * | * | trans | 49.4 | 0 | 148 | -75 | -173.2 | -179.3 | -159.8 | 0.2 | 120.6 |
Retrieved 224 of 224 residues in 130.9 ms
(Link to these results)