| 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 | 38.2 | Very low | 66.2 | Low | 246 Ų | 246 | 124.9 Ų | 124.9 | 100% | 1.212 | 67% | 0.669 | S | S | * | * | 0 | 89.9 | 0 | -154 | 166.9 | -166.4 | 0 | 0 | 105.7 | A3 | M1-A3 PolarHBondContact O-N 3.24Š| |||
| 2 | A | 39.9 | Very low | 68.2 | Low | 98 Ų | 98 | 115.9 Ų | 115.9 | 81% | 0.81 | 62% | 0.623 | S | S | * | * | trans | -67.7 | 126.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | E4 | A2-E4 VanDerWaalsContact C-N 3.32Å; A2-E4 PolarHBondContact O-N 2.86Å | ||
| 3 | A | 44.8 | Very low | 70.1 | Confident | 94 Ų | 94 | 111.9 Ų | 111.9 | 78% | 0.777 | 61% | 0.605 | S | S | * | * | trans | -59.6 | 104.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | M1 L5 | M1-A3 PolarHBondContact O-N 3.24Å; A3-L5 PolarHBondContact O-N 2.94Å | ||
| 4 | E | 53.3 | Low | 71.7 | Confident | 182 Ų | 182 | 105.4 Ų | 105.4 | 85% | 0.85 | 57% | 0.568 | S | S | * | * | trans | -48.7 | 113.8 | 160.1 | -93.1 | -174 | 115.8 | 0 | 0 | 105.2 | A2 E6 | A2-E4 VanDerWaalsContact C-N 3.32Å; A2-E4 PolarHBondContact O-N 2.86Å; E4-E6 VanDerWaalsContact C-N 3.26Å; E4-E6 PolarHBondContact O-N 3.43Å | ||
| 5 | L | 53.7 | Low | 73 | Confident | 168 Ų | 168 | 102.8 Ų | 102.8 | 88% | 0.88 | 56% | 0.559 | S | S | * | * | trans | -56.4 | 100.6 | 169.6 | -77.5 | 160.1 | 0 | 0 | 0 | 105.2 | A3 Y7 | A3-L5 PolarHBondContact O-N 2.94Å; L5-Y7 PolarHBondContact O-N 3.12Å | ||
| 6 | E | 65.3 | Low | 74.2 | Confident | 136 Ų | 136 | 101.3 Ų | 101.3 | 64% | 0.636 | 55% | 0.55 | S | S | * | * | trans | -61.6 | 96.3 | 174 | -79.5 | 175.3 | 120 | 0 | 0 | 106.6 | E4 E8 K52 | E4-E6 VanDerWaalsContact C-N 3.26Å; E4-E6 PolarHBondContact O-N 3.43Å; E6-E8 PolarHBondContact O-N 3.46Å; E6-E8 VanDerWaalsContact O-N 3.15Å; E6-K52 HydrophobicContact CB-CD 4.49Å; E6-K52 HydrophobicContact CB-CG 4.18Å; E6-K52 VanDerWaalsContact OE1-CE 3.23Å; E6-K52 WeakPolarHBondContact OE1-CE 3.24Å; E6-K52 IonicContact OE1-NZ 2.67Å; E6-K52 PolarHBondContact OE1-NZ 3.5Å; E6-K52 WeakPolarHBondContact OE2-CE 3.31Å; E6-K52 IonicContact OE2-NZ 3.16Å; E6-K52 PolarHBondContact OE2-NZ 3.02Å | ||
| 7 | Y | 78.6 | Confident | 75.3 | Confident | 185 Ų | 185 | 95.5 Ų | 95.5 | 73% | 0.725 | 52% | 0.519 | S | S | * | . | trans | -63.9 | 116.4 | -177.3 | -170.4 | -97.3 | 0 | 0 | 0 | 108.1 | L5 | L5-Y7 PolarHBondContact O-N 3.12Š| ||
| 8 | E | 85.9 | Confident | 76.4 | Confident | 93 Ų | 93 | 91.2 Ų | 91.2 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 113 | 173.8 | -171 | 175.3 | 152.8 | 0 | 0 | 108.7 | E6 T50 S51 K59 | E6-E8 PolarHBondContact O-N 3.46Å; E6-E8 VanDerWaalsContact O-N 3.15Å; E8-T50 HydrophobicContact CG-CG2 4.46Å; E8-T50 VanDerWaalsContact OE1-CB 3.27Å; E8-T50 WeakPolarHBondContact OE1-CB 3.14Å; E8-T50 VanDerWaalsContact OE1-CG2 3.23Å; E8-T50 WeakPolarHBondContact OE1-CG2 3.41Å; E8-S51 CarbonylContact C-O 3.55Å; E8-S51 VanDerWaalsContact CA-O 3.23Å; E8-S51 WeakPolarHBondContact CA-O 3.42Å; E8-K59 IonicContact OE1-NZ 3.63Å; E8-K59 PolarHBondContact OE1-NZ 2.71Å; E8-K59 IonicContact OE2-NZ 3.23Å |
| 9 | S | 87.4 | Confident | 77.3 | Confident | 42 Ų | 42 | 86.6 Ų | 86.6 | 29% | 0.294 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 135.7 | 175.8 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | T50 S51 | S9-T50 CarbonylContact O-C 3.55Å; S9-T50 VanDerWaalsContact O-CA 3.3Å; S9-T50 WeakPolarHBondContact O-CA 3.17Å; S9-S51 PolarHBondContact N-O 3.26Å; S9-S51 WeakPolarHBondContact O-CB 3.33Å; S9-S51 PolarHBondContact O-N 2.77Å |
| 10 | V | 90.9 | Very high | 78 | Confident | 76 Ų | 76 | 83 Ų | 83 | 46% | 0.461 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 115.1 | 173.5 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | V13 R48 I49 T50 | V10-V13 HydrophobicContact CG1-CG2 3.55Å; V10-R48 HydrophobicContact CG1-CG 4.08Å; V10-I49 CarbonylContact C-O 3.51Å; V10-T50 HydrophobicContact CG2-CG2 4.26Å |
| 11 | L | 89.8 | Confident | 78.6 | Confident | 54 Ų | 54 | 88.6 Ų | 88.6 | 28% | 0.283 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -46 | -178.4 | -62 | 173.8 | 0 | 0 | 0 | 111.6 | I49 H126 | L11-I49 HydrophobicContact CB-CB 4.26Å; L11-I49 HydrophobicContact CB-CG2 4.28Å; L11-I49 HydrophobicContact CD1-CG2 3.81Å; L11-I49 HydrophobicContact CG-CG2 4.5Å; L11-I49 PolarHBondContact N-O 3.25Å; L11-H126 HydrophobicContact CD1-CB 3.47Å; L11-H126 VanDerWaalsContact CD1-CB 3.47Å; L11-H126 HydrophobicContact CD2-CB 4.09Å; L11-H126 HydrophobicContact CG-CB 4.44Å |
| 12 | C | 90.3 | Very high | 80.9 | Confident | 17 Ų | 17 | 77.5 Ų | 77.5 | 12% | 0.115 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 153.9 | 176.1 | 69.6 | 0 | 0 | 0 | 0 | 111.7 | I49 | C12-I49 PolarHBondContact O-N 3.41Å; C12-I49 WeakPolarHBondContact SG-CD1 3.49Å; C12-I49 WeakPolarHBondContact SG-CG1 3.18Å |
| 13 | V | 92.6 | Very high | 82.7 | Confident | 64 Ų | 64 | 77.5 Ų | 77.5 | 39% | 0.388 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 128 | 174.3 | -169.2 | 0 | 0 | 0 | 0 | 108.3 | V10 R46 L47 R48 | V10-V13 HydrophobicContact CG1-CG2 3.55Å; V13-R46 HydrophobicContact CG1-CG 3.92Å; V13-L47 CarbonylContact C-O 3.49Å; V13-L47 WeakPolarHBondContact CA-O 3.18Å; V13-R48 HydrophobicContact CG2-CG 4.1Å |
| 14 | K | 93.6 | Very high | 84 | Confident | 21 Ų | 21 | 78.5 Ų | 78.5 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 117.8 | 179.5 | -61.6 | -59.3 | -173.5 | 174.2 | 0 | 109.3 | D16 R46 L47 F110 D115 D118 | K14-D16 VanDerWaalsContact C-N 3.34Å; K14-R46 CarbonylContact O-C 3.51Å; K14-R46 WeakPolarHBondContact O-CA 3.27Å; K14-R46 WeakPolarHBondContact O-CG 3.23Å; K14-L47 HydrophobicContact CB-CB 4.45Å; K14-L47 PolarHBondContact N-O 3.49Å; K14-L47 PolarHBondContact O-N 3.01Å; K14-F110 HydrophobicContact CB-CE1 4.13Å; K14-F110 HydrophobicContact CG-CE1 4.15Å; K14-D115 HydrophobicContact CD-CB 4.1Å; K14-D115 WeakPolarHBondContact CD-OD1 3.29Å; K14-D115 WeakPolarHBondContact CE-OD1 3.36Å; K14-D115 IonicContact NZ-OD1 2.72Å; K14-D115 PolarHBondContact NZ-OD1 3.43Å; K14-D118 IonicContact NZ-OD2 2.69Å; K14-D118 PolarHBondContact NZ-OD2 3.22Å |
| 15 | P | 90.8 | Very high | 84.7 | Confident | 66 Ų | 66 | 74.6 Ų | 74.6 | 43% | 0.429 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -24.9 | -172.8 | 29.4 | -34.9 | 0 | 0 | 0 | 113.7 | G45 | P15-G45 CarbonylContact C-O 3.51Å; P15-G45 CarbonylContact O-C 3.57Å |
| 16 | D | 92.2 | Very high | 84.9 | Confident | 79 Ų | 79 | 71.7 Ų | 71.7 | 42% | 0.422 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 97.5 | -174.2 | -66.5 | -64.7 | 0 | 0 | 0 | 110.7 | K14 T111 | K14-D16 VanDerWaalsContact C-N 3.34Å; D16-T111 HydrophobicContact CB-CG2 4.45Å |
| 17 | V | 93.6 | Very high | 84.5 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.018 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 140.7 | 170.2 | 68.7 | 0 | 0 | 0 | 0 | 110.4 | W43 T44 G45 L47 L60 I108 F110 | V17-W43 HydrophobicContact CG1-CZ3 4.14Å; V17-T44 CarbonylContact O-C 3.56Å; V17-T44 VanDerWaalsContact O-CA 3.27Å; V17-T44 WeakPolarHBondContact O-CA 3.23Å; V17-G45 VanDerWaalsContact CG1-O 3.23Å; V17-G45 WeakPolarHBondContact CG1-O 2.99Å; V17-G45 PolarHBondContact N-O 2.84Å; V17-G45 PolarHBondContact O-N 2.69Å; V17-L47 HydrophobicContact CB-CB 4.13Å; V17-L47 HydrophobicContact CG1-CB 3.82Å; V17-L47 HydrophobicContact CG2-CB 4.48Å; V17-L47 HydrophobicContact CG2-CD1 4.29Å; V17-L60 HydrophobicContact CG1-CD2 3.83Å; V17-I108 HydrophobicContact CG2-CB 4.1Å; V17-F110 HydrophobicContact CG2-CE1 4.35Å |
| 18 | S | 93.8 | Very high | 83.9 | Confident | 18 Ų | 18 | 67.5 Ų | 67.5 | 13% | 0.126 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 134.9 | 171.8 | -65.6 | 0 | 0 | 0 | 0 | 109.6 | Y20 I108 G109 | S18-Y20 WeakPolarHBondContact CB-OH 3.3Å; S18-I108 CarbonylContact O-C 3.52Å; S18-I108 WeakPolarHBondContact O-CA 3.23Å; S18-G109 PolarHBondContact N-O 3.24Å; S18-G109 PolarHBondContact O-N 2.85Å |
| 19 | V | 93.6 | Very high | 83.1 | Confident | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.024 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 136.1 | 176.8 | 175.8 | 0 | 0 | 0 | 0 | 108.9 | D42 W43 L60 F69 I106 G107 I108 | V19-D42 PolarHBondContact O-N 2.85Å; V19-W43 HydrophobicContact CB-CB 4.2Å; V19-W43 HydrophobicContact CB-CE3 3.98Å; V19-W43 HydrophobicContact CG2-CD2 4.47Å; V19-W43 HydrophobicContact CG2-CE3 3.39Å; V19-W43 HydrophobicContact CG2-CZ3 3.81Å; V19-W43 PolarHBondContact N-O 3.23Å; V19-W43 PolarHBondContact O-N 3.3Å; V19-L60 HydrophobicContact CG2-CD1 3.86Å; V19-L60 HydrophobicContact CG2-CD2 4.14Å; V19-F69 HydrophobicContact CG1-CE1 4.41Å; V19-I106 HydrophobicContact CG1-CB 4.25Å; V19-I106 HydrophobicContact CG1-CD1 3.95Å; V19-G107 CarbonylContact C-O 3.48Å; V19-G107 VanDerWaalsContact CA-O 3.3Å; V19-G107 WeakPolarHBondContact CA-O 3.42Å; V19-I108 HydrophobicContact CG2-CG2 4.22Å |
| 20 | Y | 92.8 | Very high | 82.5 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 5% | 0.051 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.1 | -179.7 | -55.9 | -83.9 | 0 | 0 | 0 | 109 | S18 I22 W36 K37 L38 P41 Y91 G107 | S18-Y20 WeakPolarHBondContact CB-OH 3.3Å; Y20-I22 PolarHBondContact O-N 3.36Å; Y20-W36 HydrophobicContact CD2-CE3 4.36Å; Y20-W36 HydrophobicContact CG-CE3 4.45Å; Y20-K37 VanDerWaalsContact CD1-O 3.27Å; Y20-K37 WeakPolarHBondContact CD1-O 3.3Å; Y20-K37 WeakPolarHBondContact CE1-O 3.23Å; Y20-L38 HydrophobicContact CE1-CD2 4.29Å; Y20-L38 HydrophobicContact CE2-CD2 4.46Å; Y20-P41 HydrophobicContact CD1-CB 4.32Å; Y20-P41 HydrophobicContact CE1-CB 3.76Å; Y20-Y91 HydrophobicContact CE2-CD1 4.1Å; Y20-Y91 AromaticContact CE2-CE1 3.76Å; Y20-Y91 HydrophobicContact CE2-CE1 3.76Å; Y20-G107 PolarHBondContact N-O 2.9Å; Y20-G107 WeakPolarHBondContact O-CA 3.4Å; Y20-G107 PolarHBondContact O-N 2.8Å |
| 21 | R | 88.9 | Confident | 82.2 | Confident | 201 Ų | 201 | 68.5 Ų | 68.5 | 76% | 0.758 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 124.6 | 176.4 | -172.6 | 176 | -177.9 | 178.6 | 1.2 | 110 | D42 | R21-D42 WeakPolarHBondContact CB-OD2 3.5Å; R21-D42 PolarHBondContact N-OD2 3.22Å |
| 22 | I | 87.3 | Confident | 82.1 | Confident | 13 Ų | 13 | 72.4 Ų | 72.4 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | trans | -110.9 | 135.7 | 176.9 | -52.8 | 170.5 | 0 | 0 | 0 | 108.9 | Y20 Y31 W36 V93 | Y20-I22 PolarHBondContact O-N 3.36Å; I22-Y31 HydrophobicContact CG2-CD1 4.01Å; I22-Y31 HydrophobicContact CG2-CE1 3.84Å; I22-W36 HydrophobicContact CD1-CD2 3.97Å; I22-W36 HydrophobicContact CD1-CE3 4.29Å; I22-W36 HydrophobicContact CD1-CH2 3.54Å; I22-W36 HydrophobicContact CD1-CZ2 3.16Å; I22-W36 HydrophobicContact CD1-CZ3 4.08Å; I22-W36 HydrophobicContact CG1-CD2 3.97Å; I22-W36 HydrophobicContact CG1-CE3 4.48Å; I22-W36 HydrophobicContact CG1-CG 4.35Å; I22-W36 HydrophobicContact CG1-CZ2 4.04Å; I22-V93 HydrophobicContact CD1-CB 4.24Å; I22-V93 HydrophobicContact CD1-CG1 3.97Å; I22-V93 HydrophobicContact CD1-CG2 3.44Å; I22-V93 VanDerWaalsContact CD1-CG2 3.44Å | ||
| 23 | P | 77.4 | Confident | 81.8 | Confident | 98 Ų | 98 | 71.6 Ų | 71.6 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 145 | 170.9 | -22.8 | 33.1 | 0 | 0 | 0 | 111.9 | R25 | P23-R25 PolarHBondContact O-N 3.39Š|
| 24 | P | 72.4 | Confident | 81.5 | Confident | 115 Ų | 115 | 73 Ų | 73 | 75% | 0.747 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 133.5 | 171.8 | -23.1 | 32.9 | 0 | 0 | 0 | 110.9 | A26 | P24-A26 PolarHBondContact O-N 3.21Å; P24-A26 VanDerWaalsContact O-N 3.14Å |
| 25 | R | 68.2 | Low | 81 | Confident | 100 Ų | 100 | 77.3 Ų | 77.3 | 38% | 0.377 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 116.6 | -175.6 | -171.2 | 175.5 | -173.7 | 163.6 | 3.8 | 111.4 | P23 S27 N28 E83 | P23-R25 PolarHBondContact O-N 3.39Å; R25-S27 WeakPolarHBondContact CG-O 3.36Å; R25-S27 PolarHBondContact NE-O 3.32Å; R25-N28 PolarHBondContact NH2-O 3.32Å; R25-E83 IonicContact NH1-OE1 3.89Å; R25-E83 IonicContact NH1-OE2 3.22Å; R25-E83 PolarHBondContact NH1-OE2 3.42Å |
| 26 | A | 57.5 | Low | 80.8 | Confident | 108 Ų | 108 | 75.2 Ų | 75.2 | 89% | 0.893 | 40% | 0.401 | S | S | * | . | trans | -94.3 | -12.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P24 | P24-A26 PolarHBondContact O-N 3.21Å; P24-A26 VanDerWaalsContact O-N 3.14Å | ||
| 27 | S | 56.2 | Low | 80.3 | Confident | 82 Ų | 82 | 79 Ų | 79 | 57% | 0.573 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -154.2 | 160.8 | -175.5 | -168.5 | 0 | 0 | 0 | 0 | 112.4 | R25 R29 | R25-S27 WeakPolarHBondContact CG-O 3.36Å; R25-S27 PolarHBondContact NE-O 3.32Å; S27-R29 PolarHBondContact O-N 3.24Å |
| 28 | N | 66.2 | Low | 79.8 | Confident | 150 Ų | 150 | 81.8 Ų | 81.8 | 80% | 0.802 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -68.7 | 2 | 179.1 | -82.3 | -0.1 | 0 | 0 | 0 | 114.6 | R25 G30 | R25-N28 PolarHBondContact NH2-O 3.32Å; N28-G30 PolarHBondContact O-N 3.05Å |
| 29 | R | 70.5 | Confident | 79.3 | Confident | 185 Ų | 185 | 87.9 Ų | 87.9 | 70% | 0.698 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -62 | 131.3 | 173.8 | -164.3 | 160.9 | 73.2 | -165.1 | 7.1 | 110.2 | S27 | S27-R29 PolarHBondContact O-N 3.24Š|
| 30 | G | 75 | Confident | 78.8 | Confident | 29 Ų | 29 | 94.2 Ų | 94.2 | 30% | 0.299 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -64 | 154.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N28 | N28-G30 PolarHBondContact O-N 3.05Š|
| 31 | Y | 84.4 | Confident | 78.6 | Confident | 18 Ų | 18 | 95.9 Ų | 95.9 | 7% | 0.071 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 137.8 | -179.7 | -64 | -78.5 | 0 | 0 | 0 | 111.9 | I22 E83 T86 V93 | I22-Y31 HydrophobicContact CG2-CD1 4.01Å; I22-Y31 HydrophobicContact CG2-CE1 3.84Å; Y31-E83 HydrophobicContact CD2-CB 4.34Å; Y31-E83 VanDerWaalsContact CD2-CD 3.47Å; Y31-E83 HydrophobicContact CD2-CG 4.11Å; Y31-E83 VanDerWaalsContact CD2-OE1 3.26Å; Y31-E83 WeakPolarHBondContact CD2-OE1 3.39Å; Y31-E83 HydrophobicContact CE2-CB 4.46Å; Y31-E83 HydrophobicContact CE2-CG 4.46Å; Y31-T86 PolarHBondContact O-N 2.76Å; Y31-V93 HydrophobicContact CD1-CG2 3.96Å; Y31-V93 HydrophobicContact CD2-CB 3.99Å; Y31-V93 HydrophobicContact CD2-CG1 4.28Å; Y31-V93 HydrophobicContact CD2-CG2 3.57Å; Y31-V93 HydrophobicContact CE1-CG1 4.43Å; Y31-V93 HydrophobicContact CE1-CG2 4.41Å; Y31-V93 HydrophobicContact CE2-CB 4.08Å; Y31-V93 HydrophobicContact CE2-CG1 3.89Å; Y31-V93 HydrophobicContact CE2-CG2 4.06Å; Y31-V93 HydrophobicContact CG-CB 4.4Å; Y31-V93 HydrophobicContact CG-CG2 3.52Å |
| 32 | R | 86.6 | Confident | 78.7 | Confident | 136 Ų | 136 | 90.9 Ų | 90.9 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | trans | -119 | 130 | 171.8 | -64.5 | -174.4 | 175.6 | -146.6 | -2.1 | 109.5 | S34 D35 W36 D87 | R32-S34 PolarHBondContact O-N 2.83Å; R32-D35 PolarHBondContact O-N 2.94Å; R32-W36 PolarHBondContact O-NE1 2.77Å; R32-W36 VanDerWaalsContact O-NE1 3.17Å; R32-D87 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 33 | A | 85.4 | Confident | 79 | Confident | 1 Ų | 1 | 92.3 Ų | 92.3 | 1% | 0.008 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -67.3 | -27.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D35 W36 L38 V85 D87 Y91 | A33-D35 PolarHBondContact O-N 2.97Å; A33-W36 WeakPolarHBondContact O-CB 3.41Å; A33-W36 PolarHBondContact O-N 2.81Å; A33-L38 HydrophobicContact CB-CD1 4.31Å; A33-L38 HydrophobicContact CB-CD2 4.41Å; A33-V85 HydrophobicContact CB-CG1 3.73Å; A33-D87 PolarHBondContact N-OD1 2.8Å; A33-D87 PolarHBondContact N-OD2 2.93Å; A33-Y91 HydrophobicContact CB-CD2 3.37Å; A33-Y91 HydrophobicContact CB-CE2 4.03Å; A33-Y91 HydrophobicContact CB-CG 3.89Å |
| 34 | S | 85.7 | Confident | 79.7 | Confident | 93 Ų | 93 | 90.5 Ų | 90.5 | 65% | 0.65 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -59.8 | -24.3 | 174.4 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | R32 W36 D87 | R32-S34 PolarHBondContact O-N 2.83Å; S34-W36 VanDerWaalsContact C-N 3.26Å; S34-D87 PolarHBondContact N-OD2 2.73Å; S34-D87 VanDerWaalsContact N-OD2 3.07Å; S34-D87 PolarHBondContact OG-OD2 2.67Å |
| 35 | D | 83.7 | Confident | 80.7 | Confident | 111 Ų | 111 | 85.1 Ų | 85.1 | 59% | 0.594 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -81.7 | -6.3 | 176.5 | -65.5 | -33.4 | 0 | 0 | 0 | 112.1 | R32 A33 | R32-D35 PolarHBondContact O-N 2.94Å; A33-D35 PolarHBondContact O-N 2.97Å |
| 36 | W | 85.5 | Confident | 81.9 | Confident | 23 Ų | 23 | 84.7 Ų | 84.7 | 9% | 0.087 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -99.8 | 159.5 | -175.5 | -52.9 | -5.1 | 0 | 0 | 0 | 111.3 | Y20 I22 R32 A33 S34 L38 V85 Y91 V93 | Y20-W36 HydrophobicContact CD2-CE3 4.36Å; Y20-W36 HydrophobicContact CG-CE3 4.45Å; I22-W36 HydrophobicContact CD1-CD2 3.97Å; I22-W36 HydrophobicContact CD1-CE3 4.29Å; I22-W36 HydrophobicContact CD1-CH2 3.54Å; I22-W36 HydrophobicContact CD1-CZ2 3.16Å; I22-W36 HydrophobicContact CD1-CZ3 4.08Å; I22-W36 HydrophobicContact CG1-CD2 3.97Å; I22-W36 HydrophobicContact CG1-CE3 4.48Å; I22-W36 HydrophobicContact CG1-CG 4.35Å; I22-W36 HydrophobicContact CG1-CZ2 4.04Å; R32-W36 PolarHBondContact O-NE1 2.77Å; R32-W36 VanDerWaalsContact O-NE1 3.17Å; A33-W36 WeakPolarHBondContact O-CB 3.41Å; A33-W36 PolarHBondContact O-N 2.81Å; S34-W36 VanDerWaalsContact C-N 3.26Å; W36-L38 VanDerWaalsContact C-N 3.26Å; W36-L38 HydrophobicContact CB-CD2 4.25Å; W36-L38 PolarHBondContact O-N 3.15Å; W36-V85 HydrophobicContact CH2-CG2 3.28Å; W36-V85 HydrophobicContact CZ2-CG2 3.59Å; W36-V85 HydrophobicContact CZ3-CG2 4.16Å; W36-Y91 HydrophobicContact CZ3-CD1 4.43Å; W36-Y91 HydrophobicContact CZ3-CG 4.39Å; W36-V93 HydrophobicContact CH2-CG2 3.43Å; W36-V93 VanDerWaalsContact CH2-CG2 3.43Å; W36-V93 HydrophobicContact CZ2-CG2 3.31Å |
| 37 | K | 82 | Confident | 83.7 | Confident | 158 Ų | 158 | 79.5 Ų | 79.5 | 69% | 0.687 | 40% | 0.402 | S | S | * | . | trans | -78.6 | 71.3 | 175.1 | -67.1 | -176.4 | 178.2 | -175.7 | 0 | 111.3 | Y20 D39 Q40 | Y20-K37 VanDerWaalsContact CD1-O 3.27Å; Y20-K37 WeakPolarHBondContact CD1-O 3.3Å; Y20-K37 WeakPolarHBondContact CE1-O 3.23Å; K37-D39 PolarHBondContact O-N 2.93Å; K37-Q40 CarbonylContact O-C 3.47Å; K37-Q40 PolarHBondContact O-N 3.45Å; K37-Q40 VanDerWaalsContact O-O 3.1Å | ||
| 38 | L | 82.4 | Confident | 85.5 | Confident | 61 Ų | 61 | 79.2 Ų | 79.2 | 32% | 0.319 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24.5 | -179.1 | -60.4 | -177.1 | 0 | 0 | 0 | 113.7 | Y20 A33 W36 Y91 | Y20-L38 HydrophobicContact CE1-CD2 4.29Å; Y20-L38 HydrophobicContact CE2-CD2 4.46Å; A33-L38 HydrophobicContact CB-CD1 4.31Å; A33-L38 HydrophobicContact CB-CD2 4.41Å; W36-L38 VanDerWaalsContact C-N 3.26Å; W36-L38 HydrophobicContact CB-CD2 4.25Å; W36-L38 PolarHBondContact O-N 3.15Å; L38-Y91 HydrophobicContact CD1-CE2 4.01Å; L38-Y91 HydrophobicContact CD2-CD1 4.21Å; L38-Y91 HydrophobicContact CD2-CD2 4.48Å; L38-Y91 HydrophobicContact CD2-CE1 3.69Å; L38-Y91 HydrophobicContact CD2-CE2 4Å |
| 39 | D | 83.6 | Confident | 86.8 | Confident | 146 Ų | 146 | 72.1 Ų | 72.1 | 78% | 0.781 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -33.6 | 179 | -171.7 | 73.7 | 0 | 0 | 0 | 113 | K37 | K37-D39 PolarHBondContact O-N 2.93Š|
| 40 | Q | 84.3 | Confident | 87.8 | Confident | 137 Ų | 137 | 63.3 Ų | 63.3 | 64% | 0.64 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -130.7 | 95.7 | -178.3 | -68.8 | -170.2 | -4.9 | 0 | 0 | 109.7 | K37 D42 | K37-Q40 CarbonylContact O-C 3.47Å; K37-Q40 PolarHBondContact O-N 3.45Å; K37-Q40 VanDerWaalsContact O-O 3.1Å; Q40-D42 PolarHBondContact O-N 2.8Å |
| 41 | P | 88.4 | Confident | 88.4 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 32% | 0.318 | 31% | 0.308 | S | S | . | . | trans | -62.3 | 132.9 | 171.7 | 27.7 | -33.3 | 0 | 0 | 0 | 109.6 | Y20 W43 T44 | Y20-P41 HydrophobicContact CD1-CB 4.32Å; Y20-P41 HydrophobicContact CE1-CB 3.76Å; P41-W43 PolarHBondContact O-N 2.9Å; P41-T44 HydrophobicContact CB-CG2 3.94Å; P41-T44 HydrophobicContact CG-CG2 3.7Å | ||
| 42 | D | 90.9 | Very high | 88.6 | Confident | 96 Ų | 96 | 64.6 Ų | 64.6 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -63.3 | -31.8 | 176.7 | -70 | -100.3 | 0 | 0 | 0 | 111.1 | V19 R21 Q40 | V19-D42 PolarHBondContact O-N 2.85Å; R21-D42 WeakPolarHBondContact CB-OD2 3.5Å; R21-D42 PolarHBondContact N-OD2 3.22Å; Q40-D42 PolarHBondContact O-N 2.8Å |
| 43 | W | 92.8 | Very high | 88.4 | Confident | 42 Ų | 42 | 60.4 Ų | 60.4 | 16% | 0.159 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 152.7 | 177.4 | 178.9 | 92.5 | 0 | 0 | 0 | 110.8 | V17 V19 P41 L60 E61 D62 F69 | V17-W43 HydrophobicContact CG1-CZ3 4.14Å; V19-W43 HydrophobicContact CB-CB 4.2Å; V19-W43 HydrophobicContact CB-CE3 3.98Å; V19-W43 HydrophobicContact CG2-CD2 4.47Å; V19-W43 HydrophobicContact CG2-CE3 3.39Å; V19-W43 HydrophobicContact CG2-CZ3 3.81Å; V19-W43 PolarHBondContact N-O 3.23Å; V19-W43 PolarHBondContact O-N 3.3Å; P41-W43 PolarHBondContact O-N 2.9Å; W43-L60 HydrophobicContact CH2-CB 4.01Å; W43-L60 HydrophobicContact CZ3-CB 4.09Å; W43-L60 HydrophobicContact CZ3-CD2 4.1Å; W43-E61 VanDerWaalsContact CH2-O 3.23Å; W43-E61 WeakPolarHBondContact CH2-O 3.41Å; W43-D62 HydrophobicContact CZ2-CB 4.22Å; W43-F69 HydrophobicContact CB-CE1 4.44Å; W43-F69 HydrophobicContact CB-CZ 4.24Å; W43-F69 AromaticContact CD1-CD2 3.89Å; W43-F69 AromaticContact CD1-CE2 3.98Å; W43-F69 HydrophobicContact CD2-CD1 4.15Å; W43-F69 HydrophobicContact CD2-CD2 4.45Å; W43-F69 HydrophobicContact CD2-CE1 4.5Å; W43-F69 HydrophobicContact CD2-CG 4.12Å; W43-F69 AromaticContact CE2-CG 3.85Å; W43-F69 HydrophobicContact CE3-CD1 4.41Å; W43-F69 HydrophobicContact CG-CD1 4.42Å; W43-F69 HydrophobicContact CG-CD2 4.27Å; W43-F69 HydrophobicContact CG-CE1 4.37Å; W43-F69 HydrophobicContact CG-CE2 4.22Å; W43-F69 HydrophobicContact CG-CG 4.36Å; W43-F69 HydrophobicContact CG-CZ 4.27Å; W43-F69 HydrophobicContact CH2-CB 4.2Å; W43-F69 HydrophobicContact CZ2-CB 3.67Å; W43-F69 HydrophobicContact CZ2-CG 4.16Å; W43-F69 AromaticContact NE1-CD2 3.81Å |
| 44 | T | 92.6 | Very high | 88.2 | Confident | 61 Ų | 61 | 66 Ų | 66 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 140.7 | 174.1 | 62.9 | 0 | 0 | 0 | 0 | 110 | V17 P41 | V17-T44 CarbonylContact O-C 3.56Å; V17-T44 VanDerWaalsContact O-CA 3.27Å; V17-T44 WeakPolarHBondContact O-CA 3.23Å; P41-T44 HydrophobicContact CB-CG2 3.94Å; P41-T44 HydrophobicContact CG-CG2 3.7Å |
| 45 | G | 93.4 | Very high | 88.2 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174 | -149.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P15 V17 | P15-G45 CarbonylContact C-O 3.51Å; P15-G45 CarbonylContact O-C 3.57Å; V17-G45 VanDerWaalsContact CG1-O 3.23Å; V17-G45 WeakPolarHBondContact CG1-O 2.99Å; V17-G45 PolarHBondContact N-O 2.84Å; V17-G45 PolarHBondContact O-N 2.69Å |
| 46 | R | 93.6 | Very high | 88.5 | Confident | 90 Ų | 90 | 58.5 Ų | 58.5 | 34% | 0.34 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.3 | 179.8 | 179.8 | -176.5 | -61.1 | -162.2 | 4.9 | 110.2 | V13 K14 E61 | V13-R46 HydrophobicContact CG1-CG 3.92Å; K14-R46 CarbonylContact O-C 3.51Å; K14-R46 WeakPolarHBondContact O-CA 3.27Å; K14-R46 WeakPolarHBondContact O-CG 3.23Å; R46-E61 WeakPolarHBondContact CA-O 3.41Å; R46-E61 PolarHBondContact N-O 3.27Å; R46-E61 PolarHBondContact O-N 2.66Å; R46-E61 VanDerWaalsContact O-O 3.06Å |
| 47 | L | 94.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134.2 | 171.2 | -177.7 | 143.6 | 0 | 0 | 0 | 109.8 | V13 K14 V17 I49 I58 L60 I108 F110 F119 | V13-L47 CarbonylContact C-O 3.49Å; V13-L47 WeakPolarHBondContact CA-O 3.18Å; K14-L47 HydrophobicContact CB-CB 4.45Å; K14-L47 PolarHBondContact N-O 3.49Å; K14-L47 PolarHBondContact O-N 3.01Å; V17-L47 HydrophobicContact CB-CB 4.13Å; V17-L47 HydrophobicContact CG1-CB 3.82Å; V17-L47 HydrophobicContact CG2-CB 4.48Å; V17-L47 HydrophobicContact CG2-CD1 4.29Å; L47-I49 HydrophobicContact CD2-CD1 4.22Å; L47-I49 HydrophobicContact CD2-CG1 3.64Å; L47-I58 HydrophobicContact CD1-CG2 3.73Å; L47-I58 HydrophobicContact CD2-CG2 4.33Å; L47-I58 HydrophobicContact CG-CG2 3.93Å; L47-L60 HydrophobicContact CB-CD2 4.2Å; L47-L60 HydrophobicContact CD1-CD2 3.93Å; L47-L60 HydrophobicContact CG-CD2 4.31Å; L47-I108 HydrophobicContact CD1-CD1 3.86Å; L47-F110 HydrophobicContact CD1-CZ 4.21Å; L47-F119 HydrophobicContact CD1-CD2 4.24Å; L47-F119 HydrophobicContact CD1-CE2 4.06Å; L47-F119 HydrophobicContact CD2-CD2 3.81Å; L47-F119 HydrophobicContact CD2-CE2 4.13Å |
| 48 | R | 93.8 | Very high | 89.3 | Confident | 76 Ų | 76 | 52.3 Ų | 52.3 | 29% | 0.287 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 121.9 | 176.7 | -174 | 177.8 | -50.8 | -164.2 | 8.2 | 109.3 | V10 V13 T50 K59 E61 | V10-R48 HydrophobicContact CG1-CG 4.08Å; V13-R48 HydrophobicContact CG2-CG 4.1Å; R48-T50 HydrophobicContact CG-CG2 3.95Å; R48-K59 HydrophobicContact CB-CB 4.42Å; R48-K59 PolarHBondContact N-O 3.44Å; R48-K59 PolarHBondContact O-N 2.78Å; R48-E61 IonicContact CZ-OE1 3.78Å; R48-E61 IonicContact CZ-OE2 2.67Å; R48-E61 IonicContact NE-OE1 2.75Å; R48-E61 PolarHBondContact NE-OE1 3.18Å; R48-E61 IonicContact NE-OE2 3.59Å; R48-E61 PolarHBondContact NE-OE2 2.89Å; R48-E61 IonicContact NH2-OE1 3.45Å; R48-E61 IonicContact NH2-OE2 3.18Å; R48-E61 PolarHBondContact NH2-OE2 3.43Å |
| 49 | I | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 123.9 | 173.2 | -48 | -175.3 | 0 | 0 | 0 | 108.2 | V10 L11 C12 L47 I58 F119 L123 | V10-I49 CarbonylContact C-O 3.51Å; L11-I49 HydrophobicContact CB-CB 4.26Å; L11-I49 HydrophobicContact CB-CG2 4.28Å; L11-I49 HydrophobicContact CD1-CG2 3.81Å; L11-I49 HydrophobicContact CG-CG2 4.5Å; L11-I49 PolarHBondContact N-O 3.25Å; C12-I49 PolarHBondContact O-N 3.41Å; C12-I49 WeakPolarHBondContact SG-CD1 3.49Å; C12-I49 WeakPolarHBondContact SG-CG1 3.18Å; L47-I49 HydrophobicContact CD2-CD1 4.22Å; L47-I49 HydrophobicContact CD2-CG1 3.64Å; I49-I58 HydrophobicContact CG1-CG1 4.33Å; I49-I58 HydrophobicContact CG2-CG1 4.35Å; I49-F119 HydrophobicContact CD1-CD2 3.48Å; I49-F119 VanDerWaalsContact CD1-CD2 3.48Å; I49-F119 HydrophobicContact CD1-CE2 3.69Å; I49-F119 HydrophobicContact CD1-CG 4.43Å; I49-F119 HydrophobicContact CG1-CD2 4.32Å; I49-F119 HydrophobicContact CG1-CE2 4.38Å; I49-L123 HydrophobicContact CD1-CD1 4.37Å; I49-L123 HydrophobicContact CD1-CD2 4.06Å; I49-L123 HydrophobicContact CD1-CG 3.87Å; I49-L123 HydrophobicContact CG2-CD2 3.86Å |
| 50 | T | 91.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.5 | 178.7 | 55 | 0 | 0 | 0 | 0 | 108.6 | E8 S9 V10 R48 A56 Y57 K59 | E8-T50 HydrophobicContact CG-CG2 4.46Å; E8-T50 VanDerWaalsContact OE1-CB 3.27Å; E8-T50 WeakPolarHBondContact OE1-CB 3.14Å; E8-T50 VanDerWaalsContact OE1-CG2 3.23Å; E8-T50 WeakPolarHBondContact OE1-CG2 3.41Å; S9-T50 CarbonylContact O-C 3.55Å; S9-T50 VanDerWaalsContact O-CA 3.3Å; S9-T50 WeakPolarHBondContact O-CA 3.17Å; V10-T50 HydrophobicContact CG2-CG2 4.26Å; R48-T50 HydrophobicContact CG-CG2 3.95Å; T50-A56 CarbonylContact O-C 3.53Å; T50-A56 WeakPolarHBondContact O-CA 3.2Å; T50-Y57 PolarHBondContact N-O 3.38Å; T50-Y57 PolarHBondContact O-N 2.96Å; T50-Y57 WeakPolarHBondContact OG1-CB 3.34Å; T50-Y57 PolarHBondContact OG1-O 2.99Å; T50-K59 HydrophobicContact CG2-CD 4.23Å; T50-K59 WeakPolarHBondContact OG1-CE 3.4Å |
| 51 | S | 88.9 | Confident | 90.7 | Very high | 14 Ų | 14 | 39 Ų | 39 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.2 | -177.9 | 144.9 | 0 | 0 | 0 | 0 | 105.7 | E8 S9 H126 | E8-S51 CarbonylContact C-O 3.55Å; E8-S51 VanDerWaalsContact CA-O 3.23Å; E8-S51 WeakPolarHBondContact CA-O 3.42Å; S9-S51 PolarHBondContact N-O 3.26Å; S9-S51 WeakPolarHBondContact O-CB 3.33Å; S9-S51 PolarHBondContact O-N 2.77Å; S51-H126 WeakPolarHBondContact CB-NE2 3.4Å; S51-H126 PolarHBondContact OG-CD2 2.84Å; S51-H126 PolarHBondContact OG-NE2 2.77Å |
| 52 | K | 87.3 | Confident | 90.9 | Very high | 60 Ų | 60 | 38.5 Ų | 38.5 | 26% | 0.261 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 97.9 | 178.3 | -173.4 | -173 | -179.5 | -164.4 | 0 | 108.1 | E6 K54 I55 Y57 | E6-K52 HydrophobicContact CB-CD 4.49Å; E6-K52 HydrophobicContact CB-CG 4.18Å; E6-K52 VanDerWaalsContact OE1-CE 3.23Å; E6-K52 WeakPolarHBondContact OE1-CE 3.24Å; E6-K52 IonicContact OE1-NZ 2.67Å; E6-K52 PolarHBondContact OE1-NZ 3.5Å; E6-K52 WeakPolarHBondContact OE2-CE 3.31Å; E6-K52 IonicContact OE2-NZ 3.16Å; E6-K52 PolarHBondContact OE2-NZ 3.02Å; K52-K54 PolarHBondContact O-N 2.71Å; K52-K54 VanDerWaalsContact O-N 3.11Å; K52-I55 PolarHBondContact N-O 2.79Å; K52-I55 PolarHBondContact O-N 2.8Å; K52-I55 VanDerWaalsContact O-N 3.15Å; K52-Y57 HydrophobicContact CB-CD2 3.91Å; K52-Y57 HydrophobicContact CB-CE2 3.74Å; K52-Y57 HydrophobicContact CD-CE2 4.06Å; K52-Y57 HydrophobicContact CG-CE2 4.47Å |
| 53 | G | 82.9 | Confident | 90.8 | Very high | 49 Ų | 49 | 39.4 Ų | 39.4 | 51% | 0.505 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | -113.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 54 | K | 81.3 | Confident | 90.6 | Very high | 119 Ų | 119 | 43.3 Ų | 43.3 | 52% | 0.517 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -9.2 | -175.9 | -57.1 | 179.1 | -174.1 | 179.6 | 0 | 114 | K52 V130 | K52-K54 PolarHBondContact O-N 2.71Å; K52-K54 VanDerWaalsContact O-N 3.11Å; K54-V130 HydrophobicContact CB-CG1 3.81Å; K54-V130 HydrophobicContact CG-CG1 4.12Å |
| 55 | I | 86 | Confident | 90.3 | Very high | 45 Ų | 45 | 44 Ų | 44 | 23% | 0.231 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.2 | -173.2 | -54.6 | 178.9 | 0 | 0 | 0 | 108.5 | K52 Y57 P73 V74 E75 | K52-I55 PolarHBondContact N-O 2.79Å; K52-I55 PolarHBondContact O-N 2.8Å; K52-I55 VanDerWaalsContact O-N 3.15Å; I55-Y57 HydrophobicContact CB-CE2 3.89Å; I55-Y57 HydrophobicContact CG2-CD2 4.17Å; I55-Y57 HydrophobicContact CG2-CE1 4.29Å; I55-Y57 HydrophobicContact CG2-CE2 3.67Å; I55-P73 HydrophobicContact CG2-CB 4.3Å; I55-V74 WeakPolarHBondContact CG2-O 3.4Å; I55-E75 HydrophobicContact CD1-CG 4.18Å; I55-E75 HydrophobicContact CG1-CG 4.17Å; I55-E75 HydrophobicContact CG2-CG 4.19Å |
| 56 | A | 89.4 | Confident | 90 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 135.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T50 V74 L123 F127 | T50-A56 CarbonylContact O-C 3.53Å; T50-A56 WeakPolarHBondContact O-CA 3.2Å; A56-V74 HydrophobicContact CB-CB 4.33Å; A56-V74 PolarHBondContact N-O 2.78Å; A56-V74 WeakPolarHBondContact O-CA 3.29Å; A56-V74 WeakPolarHBondContact O-CB 3.22Å; A56-V74 PolarHBondContact O-N 3.35Å; A56-L123 HydrophobicContact CB-CD2 4.1Å; A56-F127 HydrophobicContact CB-CE2 3.96Å; A56-F127 HydrophobicContact CB-CZ 3.75Å |
| 57 | Y | 91.1 | Very high | 89.9 | Confident | 50 Ų | 50 | 48.5 Ų | 48.5 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 116.4 | 177.4 | -68 | -86.8 | 0 | 0 | 0 | 109.5 | T50 K52 I55 Q71 P73 | T50-Y57 PolarHBondContact N-O 3.38Å; T50-Y57 PolarHBondContact O-N 2.96Å; T50-Y57 WeakPolarHBondContact OG1-CB 3.34Å; T50-Y57 PolarHBondContact OG1-O 2.99Å; K52-Y57 HydrophobicContact CB-CD2 3.91Å; K52-Y57 HydrophobicContact CB-CE2 3.74Å; K52-Y57 HydrophobicContact CD-CE2 4.06Å; K52-Y57 HydrophobicContact CG-CE2 4.47Å; I55-Y57 HydrophobicContact CB-CE2 3.89Å; I55-Y57 HydrophobicContact CG2-CD2 4.17Å; I55-Y57 HydrophobicContact CG2-CE1 4.29Å; I55-Y57 HydrophobicContact CG2-CE2 3.67Å; Y57-Q71 HydrophobicContact CD1-CG 4.12Å; Y57-P73 HydrophobicContact CD1-CB 3.82Å; Y57-P73 HydrophobicContact CE1-CB 3.68Å |
| 58 | I | 93.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 115.4 | 171.5 | -55.6 | 162.2 | 0 | 0 | 0 | 107 | L47 I49 Q71 A72 V74 V82 I94 F119 L123 | L47-I58 HydrophobicContact CD1-CG2 3.73Å; L47-I58 HydrophobicContact CD2-CG2 4.33Å; L47-I58 HydrophobicContact CG-CG2 3.93Å; I49-I58 HydrophobicContact CG1-CG1 4.33Å; I49-I58 HydrophobicContact CG2-CG1 4.35Å; I58-Q71 CarbonylContact O-C 3.59Å; I58-Q71 WeakPolarHBondContact O-CA 3.13Å; I58-A72 HydrophobicContact CB-CB 4.19Å; I58-A72 PolarHBondContact N-O 2.75Å; I58-A72 PolarHBondContact O-N 2.7Å; I58-V74 HydrophobicContact CD1-CG2 3.7Å; I58-V74 HydrophobicContact CG1-CG2 4.22Å; I58-V82 HydrophobicContact CD1-CG2 3.85Å; I58-I94 HydrophobicContact CD1-CG2 4.25Å; I58-I94 HydrophobicContact CG2-CD1 4.19Å; I58-F119 HydrophobicContact CD1-CE2 3.93Å; I58-F119 HydrophobicContact CD1-CZ 3.86Å; I58-F119 HydrophobicContact CG1-CE2 4.32Å; I58-F119 HydrophobicContact CG2-CE2 4.34Å; I58-L123 HydrophobicContact CD1-CD1 4.12Å; I58-L123 HydrophobicContact CD1-CD2 4.4Å; I58-L123 HydrophobicContact CG1-CD2 4.36Å |
| 59 | K | 93 | Very high | 89.5 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 17% | 0.17 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 125.7 | 178.9 | -65.4 | 175.2 | -178 | 172.8 | 0 | 108.6 | E8 R48 T50 L68 Q71 | E8-K59 IonicContact OE1-NZ 3.63Å; E8-K59 PolarHBondContact OE1-NZ 2.71Å; E8-K59 IonicContact OE2-NZ 3.23Å; R48-K59 HydrophobicContact CB-CB 4.42Å; R48-K59 PolarHBondContact N-O 3.44Å; R48-K59 PolarHBondContact O-N 2.78Å; T50-K59 HydrophobicContact CG2-CD 4.23Å; T50-K59 WeakPolarHBondContact OG1-CE 3.4Å; K59-L68 HydrophobicContact CB-CD1 3.67Å; K59-L68 HydrophobicContact CD-CD1 4.48Å; K59-L68 HydrophobicContact CG-CD1 3.98Å; K59-Q71 HydrophobicContact CG-CG 4.29Å |
| 60 | L | 93.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.4 | 171.7 | -69.7 | 165.7 | 0 | 0 | 0 | 107.4 | V17 V19 W43 L47 L68 F69 A70 I94 I106 I108 | V17-L60 HydrophobicContact CG1-CD2 3.83Å; V19-L60 HydrophobicContact CG2-CD1 3.86Å; V19-L60 HydrophobicContact CG2-CD2 4.14Å; W43-L60 HydrophobicContact CH2-CB 4.01Å; W43-L60 HydrophobicContact CZ3-CB 4.09Å; W43-L60 HydrophobicContact CZ3-CD2 4.1Å; L47-L60 HydrophobicContact CB-CD2 4.2Å; L47-L60 HydrophobicContact CD1-CD2 3.93Å; L47-L60 HydrophobicContact CG-CD2 4.31Å; L60-L68 CarbonylContact O-C 3.56Å; L60-F69 HydrophobicContact CB-CB 4.38Å; L60-F69 PolarHBondContact O-N 3.15Å; L60-A70 HydrophobicContact CD1-CB 4.19Å; L60-A70 PolarHBondContact N-O 2.85Å; L60-A70 PolarHBondContact O-N 3.11Å; L60-I94 HydrophobicContact CD1-CD1 4.22Å; L60-I106 HydrophobicContact CD1-CD1 3.44Å; L60-I106 VanDerWaalsContact CD1-CD1 3.44Å; L60-I108 HydrophobicContact CD1-CG2 4.4Å; L60-I108 HydrophobicContact CD2-CG2 4.49Å |
| 61 | E | 93.8 | Very high | 89.3 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 11% | 0.112 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 142.3 | -175.9 | -64.6 | 171.8 | 176.3 | 0 | 0 | 109.9 | W43 R46 R48 E67 L68 | W43-E61 VanDerWaalsContact CH2-O 3.23Å; W43-E61 WeakPolarHBondContact CH2-O 3.41Å; R46-E61 WeakPolarHBondContact CA-O 3.41Å; R46-E61 PolarHBondContact N-O 3.27Å; R46-E61 PolarHBondContact O-N 2.66Å; R46-E61 VanDerWaalsContact O-O 3.06Å; R48-E61 IonicContact CZ-OE1 3.78Å; R48-E61 IonicContact CZ-OE2 2.67Å; R48-E61 IonicContact NE-OE1 2.75Å; R48-E61 PolarHBondContact NE-OE1 3.18Å; R48-E61 IonicContact NE-OE2 3.59Å; R48-E61 PolarHBondContact NE-OE2 2.89Å; R48-E61 IonicContact NH2-OE1 3.45Å; R48-E61 IonicContact NH2-OE2 3.18Å; R48-E61 PolarHBondContact NH2-OE2 3.43Å; E61-E67 CarbonylContact C-O 3.5Å; E61-E67 VanDerWaalsContact CA-O 3.24Å; E61-E67 WeakPolarHBondContact CA-O 3.49Å; E61-L68 HydrophobicContact CG-CD1 4.33Å |
| 62 | D | 93 | Very high | 89.4 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 21% | 0.214 | 31% | 0.305 | C | S | . | . | trans | -66.7 | 139.6 | 173.3 | 173.7 | 34.5 | 0 | 0 | 0 | 110.7 | W43 V64 S65 G66 E67 | W43-D62 HydrophobicContact CZ2-CB 4.22Å; D62-V64 VanDerWaalsContact C-N 3.26Å; D62-V64 PolarHBondContact O-N 3.39Å; D62-V64 PolarHBondContact OD1-N 3.37Å; D62-S65 WeakPolarHBondContact CB-OG 3.05Å; D62-S65 WeakPolarHBondContact OD2-CB 3.3Å; D62-S65 PolarHBondContact OD2-N 2.98Å; D62-S65 PolarHBondContact OD2-OG 2.67Å; D62-G66 VanDerWaalsContact O-CA 3.22Å; D62-G66 WeakPolarHBondContact O-CA 3.32Å; D62-G66 PolarHBondContact O-N 3.45Å; D62-E67 PolarHBondContact N-O 2.69Å | ||
| 63 | K | 88.4 | Confident | 89.6 | Confident | 115 Ų | 115 | 54.6 Ų | 54.6 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -24.7 | -178.2 | 72 | -174.7 | -179.6 | -168.1 | 0 | 112.9 | ||
| 64 | V | 88.5 | Confident | 89.8 | Confident | 124 Ų | 124 | 52.3 Ų | 52.3 | 75% | 0.752 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -55.3 | -176.2 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | D62 | D62-V64 VanDerWaalsContact C-N 3.26Å; D62-V64 PolarHBondContact O-N 3.39Å; D62-V64 PolarHBondContact OD1-N 3.37Å |
| 65 | S | 86.9 | Confident | 89.9 | Confident | 74 Ų | 74 | 52.7 Ų | 52.7 | 52% | 0.517 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -22.9 | -176 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | D62 E67 | D62-S65 WeakPolarHBondContact CB-OG 3.05Å; D62-S65 WeakPolarHBondContact OD2-CB 3.3Å; D62-S65 PolarHBondContact OD2-N 2.98Å; D62-S65 PolarHBondContact OD2-OG 2.67Å; S65-E67 PolarHBondContact O-N 3.03Å; S65-E67 WeakPolarHBondContact OG-CB 3.37Å; S65-E67 PolarHBondContact OG-N 3.18Å |
| 66 | G | 86.1 | Confident | 89.4 | Confident | 45 Ų | 45 | 57.3 Ų | 57.3 | 46% | 0.464 | 30% | 0.297 | S | S | . | . | trans | 71.3 | 12 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D62 | D62-G66 VanDerWaalsContact O-CA 3.22Å; D62-G66 WeakPolarHBondContact O-CA 3.32Å; D62-G66 PolarHBondContact O-N 3.45Å | ||
| 67 | E | 91.3 | Very high | 88.7 | Confident | 142 Ų | 142 | 59.3 Ų | 59.3 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | trans | -67.5 | 130.9 | 178.8 | -173.8 | 175.9 | -178.3 | 0 | 0 | 110.9 | E61 D62 S65 F69 | E61-E67 CarbonylContact C-O 3.5Å; E61-E67 VanDerWaalsContact CA-O 3.24Å; E61-E67 WeakPolarHBondContact CA-O 3.49Å; D62-E67 PolarHBondContact N-O 2.69Å; S65-E67 PolarHBondContact O-N 3.03Å; S65-E67 WeakPolarHBondContact OG-CB 3.37Å; S65-E67 PolarHBondContact OG-N 3.18Å; E67-F69 PolarHBondContact O-N 2.87Å | ||
| 68 | L | 90.3 | Very high | 88 | Confident | 80 Ų | 80 | 62.1 Ų | 62.1 | 42% | 0.419 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 109.1 | 175.6 | -177.4 | 76.2 | 0 | 0 | 0 | 109.3 | K59 L60 E61 | K59-L68 HydrophobicContact CB-CD1 3.67Å; K59-L68 HydrophobicContact CD-CD1 4.48Å; K59-L68 HydrophobicContact CG-CD1 3.98Å; L60-L68 CarbonylContact O-C 3.56Å; E61-L68 HydrophobicContact CG-CD1 4.33Å |
| 69 | F | 89.1 | Confident | 87.2 | Confident | 109 Ų | 109 | 63.4 Ų | 63.4 | 48% | 0.478 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -47.9 | 176.4 | 179.8 | -104.6 | 0 | 0 | 0 | 111.8 | V19 W43 L60 E67 | V19-F69 HydrophobicContact CG1-CE1 4.41Å; W43-F69 HydrophobicContact CB-CE1 4.44Å; W43-F69 HydrophobicContact CB-CZ 4.24Å; W43-F69 AromaticContact CD1-CD2 3.89Å; W43-F69 AromaticContact CD1-CE2 3.98Å; W43-F69 HydrophobicContact CD2-CD1 4.15Å; W43-F69 HydrophobicContact CD2-CD2 4.45Å; W43-F69 HydrophobicContact CD2-CE1 4.5Å; W43-F69 HydrophobicContact CD2-CG 4.12Å; W43-F69 AromaticContact CE2-CG 3.85Å; W43-F69 HydrophobicContact CE3-CD1 4.41Å; W43-F69 HydrophobicContact CG-CD1 4.42Å; W43-F69 HydrophobicContact CG-CD2 4.27Å; W43-F69 HydrophobicContact CG-CE1 4.37Å; W43-F69 HydrophobicContact CG-CE2 4.22Å; W43-F69 HydrophobicContact CG-CG 4.36Å; W43-F69 HydrophobicContact CG-CZ 4.27Å; W43-F69 HydrophobicContact CH2-CB 4.2Å; W43-F69 HydrophobicContact CZ2-CB 3.67Å; W43-F69 HydrophobicContact CZ2-CG 4.16Å; W43-F69 AromaticContact NE1-CD2 3.81Å; L60-F69 HydrophobicContact CB-CB 4.38Å; L60-F69 PolarHBondContact O-N 3.15Å; E67-F69 PolarHBondContact O-N 2.87Å |
| 70 | A | 90.5 | Very high | 86.5 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 154.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | L60 I96 | L60-A70 HydrophobicContact CD1-CB 4.19Å; L60-A70 PolarHBondContact N-O 2.85Å; L60-A70 PolarHBondContact O-N 3.11Å; A70-I96 HydrophobicContact CB-CB 4.32Å; A70-I96 HydrophobicContact CB-CD1 4.05Å; A70-I96 HydrophobicContact CB-CG2 3.85Å |
| 71 | Q | 91.6 | Very high | 86 | Confident | 64 Ų | 64 | 66.5 Ų | 66.5 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.4 | 175.9 | -172.4 | 174.6 | 4.5 | 0 | 0 | 110 | Y57 I58 K59 I96 Q97 | Y57-Q71 HydrophobicContact CD1-CG 4.12Å; I58-Q71 CarbonylContact O-C 3.59Å; I58-Q71 WeakPolarHBondContact O-CA 3.13Å; K59-Q71 HydrophobicContact CG-CG 4.29Å; Q71-I96 WeakPolarHBondContact O-CA 3.25Å; Q71-Q97 PolarHBondContact O-N 2.76Å |
| 72 | A | 91.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 105.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | I58 I94 R95 I96 | I58-A72 HydrophobicContact CB-CB 4.19Å; I58-A72 PolarHBondContact N-O 2.75Å; I58-A72 PolarHBondContact O-N 2.7Å; A72-I94 HydrophobicContact CB-CB 4.41Å; A72-I94 HydrophobicContact CB-CD1 4.03Å; A72-I94 HydrophobicContact CB-CG1 4.46Å; A72-R95 WeakPolarHBondContact CA-O 3.43Å; A72-R95 WeakPolarHBondContact CB-O 3.34Å; A72-I96 HydrophobicContact CB-CG2 3.94Å |
| 73 | P | 90.1 | Very high | 85.5 | Confident | 14 Ų | 14 | 66 Ų | 66 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 130.9 | 169.3 | 27.4 | -28.3 | 0 | 0 | 0 | 110.7 | I55 Y57 Q97 | I55-P73 HydrophobicContact CG2-CB 4.3Å; Y57-P73 HydrophobicContact CD1-CB 3.82Å; Y57-P73 HydrophobicContact CE1-CB 3.68Å; P73-Q97 HydrophobicContact CG-CB 4.03Å; P73-Q97 HydrophobicContact CG-CG 3.84Å |
| 74 | V | 87.8 | Confident | 85.6 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 111.8 | 178.9 | -171.8 | 0 | 0 | 0 | 0 | 106.9 | I55 A56 I58 A81 V82 F127 | I55-V74 WeakPolarHBondContact CG2-O 3.4Å; A56-V74 HydrophobicContact CB-CB 4.33Å; A56-V74 PolarHBondContact N-O 2.78Å; A56-V74 WeakPolarHBondContact O-CA 3.29Å; A56-V74 WeakPolarHBondContact O-CB 3.22Å; A56-V74 PolarHBondContact O-N 3.35Å; I58-V74 HydrophobicContact CD1-CG2 3.7Å; I58-V74 HydrophobicContact CG1-CG2 4.22Å; V74-A81 HydrophobicContact CB-CB 4.28Å; V74-A81 HydrophobicContact CG1-CB 3.93Å; V74-A81 HydrophobicContact CG2-CB 4.17Å; V74-V82 HydrophobicContact CG1-CG2 4.33Å; V74-V82 HydrophobicContact CG2-CG2 3.83Å; V74-F127 HydrophobicContact CB-CE2 4.29Å; V74-F127 HydrophobicContact CB-CZ 3.87Å; V74-F127 HydrophobicContact CG1-CE1 4.49Å; V74-F127 HydrophobicContact CG1-CE2 3.62Å; V74-F127 HydrophobicContact CG1-CZ 3.43Å; V74-F127 VanDerWaalsContact CG1-CZ 3.43Å; V74-F127 VanDerWaalsContact O-CZ 3.25Å; V74-F127 WeakPolarHBondContact O-CZ 3.46Å |
| 75 | E | 82.4 | Confident | 85.6 | Confident | 128 Ų | 128 | 58.3 Ų | 58.3 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | trans | -97.1 | -25.3 | -179.7 | -62.7 | 171.6 | 108 | 0 | 0 | 112 | I55 F127 | I55-E75 HydrophobicContact CD1-CG 4.18Å; I55-E75 HydrophobicContact CG1-CG 4.17Å; I55-E75 HydrophobicContact CG2-CG 4.19Å; E75-F127 WeakPolarHBondContact O-CE1 3.3Å | ||
| 76 | Q | 76.1 | Confident | 85.6 | Confident | 142 Ų | 142 | 60 Ų | 60 | 66% | 0.664 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -144.8 | 134.6 | -177.2 | -175.5 | 173 | 76.1 | 0 | 0 | 110.6 | ||
| 77 | Y | 74.7 | Confident | 85.7 | Confident | 42 Ų | 42 | 61.4 Ų | 61.4 | 17% | 0.165 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -133.5 | 135.1 | 172.2 | -172.2 | -76.7 | 0 | 0 | 0 | 109.9 | V82 N120 L123 Q124 F127 | Y77-V82 HydrophobicContact CD2-CB 4.48Å; Y77-V82 HydrophobicContact CE2-CB 4.39Å; Y77-V82 HydrophobicContact CE2-CG1 4.44Å; Y77-N120 PolarHBondContact OH-OD1 2.94Å; Y77-L123 HydrophobicContact CD2-CB 4.35Å; Y77-Q124 HydrophobicContact CD1-CG 3.63Å; Y77-Q124 HydrophobicContact CE1-CB 4.34Å; Y77-Q124 HydrophobicContact CE1-CG 3.07Å; Y77-Q124 PolarHBondContact OH-NE2 2.78Å; Y77-F127 HydrophobicContact CG-CD2 4.06Å |
| 78 | P | 76.6 | Confident | 85.5 | Confident | 109 Ų | 109 | 55.8 Ų | 55.8 | 71% | 0.708 | 30% | 0.302 | S | S | * | . | S | Bend | cis | -69.6 | 141.5 | -5.3 | 28.9 | -34.1 | 0 | 0 | 0 | 111.7 | ||
| 79 | G | 77.3 | Confident | 85.5 | Confident | 27 Ų | 27 | 54.9 Ų | 54.9 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -166.2 | 176.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A81 V82 | G79-A81 PolarHBondContact O-N 3.12Å; G79-A81 VanDerWaalsContact O-N 3.14Å; G79-V82 CarbonylContact O-C 3.6Å; G79-V82 PolarHBondContact O-N 2.99Å; G79-V82 VanDerWaalsContact O-O 3.05Å |
| 80 | I | 77.4 | Confident | 85.6 | Confident | 97 Ų | 97 | 54.3 Ų | 54.3 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -8.4 | -177.6 | 60.3 | 91.8 | 0 | 0 | 0 | 114.3 | V82 | I80-V82 VanDerWaalsContact C-N 3.34Š|
| 81 | A | 83 | Confident | 85.7 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -30 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V74 G79 I94 R95 | V74-A81 HydrophobicContact CB-CB 4.28Å; V74-A81 HydrophobicContact CG1-CB 3.93Å; V74-A81 HydrophobicContact CG2-CB 4.17Å; G79-A81 PolarHBondContact O-N 3.12Å; G79-A81 VanDerWaalsContact O-N 3.14Å; A81-I94 CarbonylContact O-C 3.44Å; A81-I94 VanDerWaalsContact O-CA 3.31Å; A81-I94 WeakPolarHBondContact O-CA 3.49Å; A81-R95 PolarHBondContact O-N 3.28Å |
| 82 | V | 88 | Confident | 85.8 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 107.9 | 176.2 | -177 | 0 | 0 | 0 | 0 | 108.3 | I58 V74 Y77 G79 I80 V93 I94 F119 L123 | I58-V82 HydrophobicContact CD1-CG2 3.85Å; V74-V82 HydrophobicContact CG1-CG2 4.33Å; V74-V82 HydrophobicContact CG2-CG2 3.83Å; Y77-V82 HydrophobicContact CD2-CB 4.48Å; Y77-V82 HydrophobicContact CE2-CB 4.39Å; Y77-V82 HydrophobicContact CE2-CG1 4.44Å; G79-V82 CarbonylContact O-C 3.6Å; G79-V82 PolarHBondContact O-N 2.99Å; G79-V82 VanDerWaalsContact O-O 3.05Å; I80-V82 VanDerWaalsContact C-N 3.34Å; V82-V93 CarbonylContact C-O 3.5Å; V82-V93 WeakPolarHBondContact CA-O 3.49Å; V82-I94 HydrophobicContact CG1-CG2 4.23Å; V82-I94 HydrophobicContact CG2-CG2 4.09Å; V82-F119 HydrophobicContact CG1-CE1 3.91Å; V82-F119 HydrophobicContact CG1-CZ 4.15Å; V82-L123 HydrophobicContact CG1-CD1 4.35Å; V82-L123 HydrophobicContact CG2-CD1 4.1Å |
| 83 | E | 88.5 | Confident | 85.8 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 20% | 0.201 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.4 | 179.1 | -165.6 | 173.1 | 142.4 | 0 | 0 | 109.6 | R25 Y31 F92 V93 | R25-E83 IonicContact NH1-OE1 3.89Å; R25-E83 IonicContact NH1-OE2 3.22Å; R25-E83 PolarHBondContact NH1-OE2 3.42Å; Y31-E83 HydrophobicContact CD2-CB 4.34Å; Y31-E83 VanDerWaalsContact CD2-CD 3.47Å; Y31-E83 HydrophobicContact CD2-CG 4.11Å; Y31-E83 VanDerWaalsContact CD2-OE1 3.26Å; Y31-E83 WeakPolarHBondContact CD2-OE1 3.39Å; Y31-E83 HydrophobicContact CE2-CB 4.46Å; Y31-E83 HydrophobicContact CE2-CG 4.46Å; E83-F92 CarbonylContact O-C 3.55Å; E83-F92 WeakPolarHBondContact O-CA 3.46Å; E83-V93 HydrophobicContact CB-CB 4.36Å; E83-V93 PolarHBondContact N-O 2.84Å; E83-V93 PolarHBondContact O-N 2.98Å |
| 84 | T | 89.8 | Confident | 85.9 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 43% | 0.429 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 142.4 | 175.9 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | F92 | T84-F92 HydrophobicContact CG2-CD1 3.82Å; T84-F92 HydrophobicContact CG2-CE1 3.79Å |
| 85 | V | 89.4 | Confident | 86 | Confident | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | trans | -75.1 | 144.2 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | A33 W36 D87 S88 Y91 V93 | A33-V85 HydrophobicContact CB-CG1 3.73Å; W36-V85 HydrophobicContact CH2-CG2 3.28Å; W36-V85 HydrophobicContact CZ2-CG2 3.59Å; W36-V85 HydrophobicContact CZ3-CG2 4.16Å; V85-D87 WeakPolarHBondContact CG1-OD1 3.49Å; V85-S88 VanDerWaalsContact O-O 3.09Å; V85-Y91 WeakPolarHBondContact CB-O 3.27Å; V85-Y91 VanDerWaalsContact CG2-O 3.32Å; V85-Y91 WeakPolarHBondContact CG2-O 3.4Å; V85-Y91 PolarHBondContact N-O 3.48Å; V85-V93 HydrophobicContact CG2-CG2 4.44Å | ||
| 86 | T | 87.3 | Confident | 86.5 | Confident | 109 Ų | 109 | 49.3 Ų | 49.3 | 67% | 0.669 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -77.5 | -35.4 | -173.7 | -51.1 | 0 | 0 | 0 | 0 | 113.5 | Y31 | Y31-T86 PolarHBondContact O-N 2.76Š|
| 87 | D | 88.2 | Confident | 87.1 | Confident | 75 Ų | 75 | 45.9 Ų | 45.9 | 40% | 0.401 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -88.5 | -12.2 | -178.2 | 56.5 | -40.3 | 0 | 0 | 0 | 113.5 | R32 A33 S34 V85 | R32-D87 WeakPolarHBondContact CA-OD1 3.48Å; A33-D87 PolarHBondContact N-OD1 2.8Å; A33-D87 PolarHBondContact N-OD2 2.93Å; S34-D87 PolarHBondContact N-OD2 2.73Å; S34-D87 VanDerWaalsContact N-OD2 3.07Å; S34-D87 PolarHBondContact OG-OD2 2.67Å; V85-D87 WeakPolarHBondContact CG1-OD1 3.49Å |
| 88 | S | 87.1 | Confident | 87.6 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | trans | -148.8 | 133.9 | -177.4 | -178.5 | 0 | 0 | 0 | 0 | 112 | V85 R90 Y91 | V85-S88 VanDerWaalsContact O-O 3.09Å; S88-R90 VanDerWaalsContact C-N 3.33Å; S88-R90 PolarHBondContact OG-N 2.84Å; S88-Y91 WeakPolarHBondContact OG-CD2 3.38Å | ||
| 89 | S | 88.9 | Confident | 87.6 | Confident | 61 Ų | 61 | 47.8 Ų | 47.8 | 43% | 0.427 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -85.7 | -4 | 173.2 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | F92 R113 A116 | S89-F92 VanDerWaalsContact O-CZ 3.32Å; S89-F92 WeakPolarHBondContact O-CZ 3.23Å; S89-R113 PolarHBondContact OG-NE 3.36Å; S89-A116 WeakPolarHBondContact O-CB 3.18Å |
| 90 | R | 91.6 | Very high | 87.7 | Confident | 97 Ų | 97 | 51.2 Ų | 51.2 | 37% | 0.366 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -90.2 | -15.2 | 176.9 | -65.8 | -167.6 | -62.9 | 172.9 | 0 | 113.7 | S88 G109 F110 T111 R113 A116 | S88-R90 VanDerWaalsContact C-N 3.33Å; S88-R90 PolarHBondContact OG-N 2.84Å; R90-G109 WeakPolarHBondContact O-CA 3.4Å; R90-F110 PolarHBondContact O-N 3.05Å; R90-T111 PolarHBondContact NH1-O 3.41Å; R90-R113 HydrophobicContact CG-CB 4.2Å; R90-R113 HydrophobicContact CG-CG 4.37Å; R90-A116 HydrophobicContact CB-CB 4.49Å |
| 91 | Y | 92.6 | Very high | 87.7 | Confident | 28 Ų | 28 | 49.2 Ų | 49.2 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.6 | -176.5 | -60.6 | -69.2 | 0 | 0 | 0 | 110.2 | Y20 A33 W36 L38 V85 S88 I108 | Y20-Y91 HydrophobicContact CE2-CD1 4.1Å; Y20-Y91 AromaticContact CE2-CE1 3.76Å; Y20-Y91 HydrophobicContact CE2-CE1 3.76Å; A33-Y91 HydrophobicContact CB-CD2 3.37Å; A33-Y91 HydrophobicContact CB-CE2 4.03Å; A33-Y91 HydrophobicContact CB-CG 3.89Å; W36-Y91 HydrophobicContact CZ3-CD1 4.43Å; W36-Y91 HydrophobicContact CZ3-CG 4.39Å; L38-Y91 HydrophobicContact CD1-CE2 4.01Å; L38-Y91 HydrophobicContact CD2-CD1 4.21Å; L38-Y91 HydrophobicContact CD2-CD2 4.48Å; L38-Y91 HydrophobicContact CD2-CE1 3.69Å; L38-Y91 HydrophobicContact CD2-CE2 4Å; V85-Y91 WeakPolarHBondContact CB-O 3.27Å; V85-Y91 VanDerWaalsContact CG2-O 3.32Å; V85-Y91 WeakPolarHBondContact CG2-O 3.4Å; V85-Y91 PolarHBondContact N-O 3.48Å; S88-Y91 WeakPolarHBondContact OG-CD2 3.38Å; Y91-I108 CarbonylContact C-O 3.55Å; Y91-I108 VanDerWaalsContact CA-O 3.3Å; Y91-I108 WeakPolarHBondContact CA-O 3.27Å |
| 92 | F | 92.9 | Very high | 87.9 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 153.2 | 179.3 | -54.3 | -96.8 | 0 | 0 | 0 | 108.8 | E83 T84 S89 G107 I108 F110 A116 F119 N120 | E83-F92 CarbonylContact O-C 3.55Å; E83-F92 WeakPolarHBondContact O-CA 3.46Å; T84-F92 HydrophobicContact CG2-CD1 3.82Å; T84-F92 HydrophobicContact CG2-CE1 3.79Å; S89-F92 VanDerWaalsContact O-CZ 3.32Å; S89-F92 WeakPolarHBondContact O-CZ 3.23Å; F92-G107 CarbonylContact O-C 3.57Å; F92-G107 WeakPolarHBondContact O-CA 3.1Å; F92-I108 HydrophobicContact CB-CD1 4.22Å; F92-I108 HydrophobicContact CB-CG1 3.8Å; F92-I108 HydrophobicContact CD2-CG1 4.49Å; F92-I108 PolarHBondContact N-O 2.79Å; F92-I108 PolarHBondContact O-N 2.79Å; F92-F110 HydrophobicContact CD2-CD2 4.02Å; F92-F110 AromaticContact CD2-CE2 3.72Å; F92-F110 HydrophobicContact CD2-CE2 3.72Å; F92-F110 AromaticContact CE2-CD2 3.8Å; F92-F110 HydrophobicContact CE2-CD2 3.8Å; F92-F110 AromaticContact CE2-CE2 3.71Å; F92-F110 HydrophobicContact CE2-CE2 3.71Å; F92-A116 HydrophobicContact CE2-CB 3.72Å; F92-A116 HydrophobicContact CZ-CB 4.12Å; F92-A116 WeakPolarHBondContact CZ-O 3.46Å; F92-F119 HydrophobicContact CB-CE1 4.37Å; F92-F119 HydrophobicContact CD1-CD1 4.34Å; F92-F119 HydrophobicContact CD1-CE1 4.1Å; F92-F119 HydrophobicContact CD2-CD1 4.14Å; F92-F119 HydrophobicContact CD2-CE1 4.24Å; F92-F119 HydrophobicContact CE1-CD1 4.29Å; F92-F119 HydrophobicContact CE1-CE1 4.47Å; F92-F119 HydrophobicContact CE2-CD1 4.1Å; F92-F119 HydrophobicContact CG-CD1 4.27Å; F92-F119 AromaticContact CG-CE1 3.98Å; F92-F119 HydrophobicContact CG-CE1 3.98Å; F92-F119 HydrophobicContact CZ-CD1 4.18Å; F92-N120 HydrophobicContact CE1-CB 4.26Å; F92-N120 HydrophobicContact CZ-CB 4.37Å |
| 93 | V | 91.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.1 | 169.1 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | I22 Y31 W36 V82 E83 V85 F105 I106 | I22-V93 HydrophobicContact CD1-CB 4.24Å; I22-V93 HydrophobicContact CD1-CG1 3.97Å; I22-V93 HydrophobicContact CD1-CG2 3.44Å; I22-V93 VanDerWaalsContact CD1-CG2 3.44Å; Y31-V93 HydrophobicContact CD1-CG2 3.96Å; Y31-V93 HydrophobicContact CD2-CB 3.99Å; Y31-V93 HydrophobicContact CD2-CG1 4.28Å; Y31-V93 HydrophobicContact CD2-CG2 3.57Å; Y31-V93 HydrophobicContact CE1-CG1 4.43Å; Y31-V93 HydrophobicContact CE1-CG2 4.41Å; Y31-V93 HydrophobicContact CE2-CB 4.08Å; Y31-V93 HydrophobicContact CE2-CG1 3.89Å; Y31-V93 HydrophobicContact CE2-CG2 4.06Å; Y31-V93 HydrophobicContact CG-CB 4.4Å; Y31-V93 HydrophobicContact CG-CG2 3.52Å; W36-V93 HydrophobicContact CH2-CG2 3.43Å; W36-V93 VanDerWaalsContact CH2-CG2 3.43Å; W36-V93 HydrophobicContact CZ2-CG2 3.31Å; V82-V93 CarbonylContact C-O 3.5Å; V82-V93 WeakPolarHBondContact CA-O 3.49Å; E83-V93 HydrophobicContact CB-CB 4.36Å; E83-V93 PolarHBondContact N-O 2.84Å; E83-V93 PolarHBondContact O-N 2.98Å; V85-V93 HydrophobicContact CG2-CG2 4.44Å; V93-F105 HydrophobicContact CG1-CB 3.98Å; V93-F105 HydrophobicContact CG1-CD1 4Å; V93-F105 HydrophobicContact CG1-CG 4.42Å; V93-I106 CarbonylContact C-O 3.56Å; V93-I106 WeakPolarHBondContact CA-O 3.23Å |
| 94 | I | 92.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 144.6 | 175.1 | 65.2 | 171.7 | 0 | 0 | 0 | 110.3 | I58 L60 A72 A81 V82 I96 I106 I108 F119 | I58-I94 HydrophobicContact CD1-CG2 4.25Å; I58-I94 HydrophobicContact CG2-CD1 4.19Å; L60-I94 HydrophobicContact CD1-CD1 4.22Å; A72-I94 HydrophobicContact CB-CB 4.41Å; A72-I94 HydrophobicContact CB-CD1 4.03Å; A72-I94 HydrophobicContact CB-CG1 4.46Å; A81-I94 CarbonylContact O-C 3.44Å; A81-I94 VanDerWaalsContact O-CA 3.31Å; A81-I94 WeakPolarHBondContact O-CA 3.49Å; V82-I94 HydrophobicContact CG1-CG2 4.23Å; V82-I94 HydrophobicContact CG2-CG2 4.09Å; I94-I96 HydrophobicContact CD1-CG2 4.24Å; I94-I96 HydrophobicContact CG1-CG2 4.34Å; I94-I96 PolarHBondContact O-N 2.93Å; I94-I106 HydrophobicContact CD1-CD1 4.08Å; I94-I106 HydrophobicContact CD1-CG1 4.22Å; I94-I106 HydrophobicContact CG1-CD1 4.04Å; I94-I106 HydrophobicContact CG1-CG1 3.6Å; I94-I106 PolarHBondContact N-O 2.76Å; I94-I106 PolarHBondContact O-N 2.81Å; I94-I108 HydrophobicContact CD1-CD1 4.33Å; I94-I108 HydrophobicContact CD1-CG2 3.77Å; I94-I108 HydrophobicContact CG1-CG2 4Å; I94-I108 HydrophobicContact CG2-CD1 3.8Å; I94-I108 HydrophobicContact CG2-CG1 4.18Å; I94-F119 HydrophobicContact CG2-CZ 4.28Å |
| 95 | R | 90.4 | Very high | 87.8 | Confident | 50 Ų | 50 | 60.2 Ų | 60.2 | 19% | 0.189 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 102.1 | 173.4 | -168.8 | -176.6 | 75.6 | 171.1 | 1.4 | 109.3 | A72 A81 A104 F105 | A72-R95 WeakPolarHBondContact CA-O 3.43Å; A72-R95 WeakPolarHBondContact CB-O 3.34Å; A81-R95 PolarHBondContact O-N 3.28Å; R95-A104 CarbonylContact C-O 3.6Å; R95-A104 WeakPolarHBondContact CA-O 3.39Å; R95-F105 HydrophobicContact CB-CD1 4.01Å; R95-F105 HydrophobicContact CB-CE1 3.74Å; R95-F105 HydrophobicContact CG-CD1 4.25Å; R95-F105 HydrophobicContact CG-CE1 3.85Å; R95-F105 HydrophobicContact CG-CZ 4.14Å |
| 96 | I | 91.9 | Very high | 88 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 149.7 | 170.8 | 57 | 166.2 | 0 | 0 | 0 | 110.3 | A70 Q71 A72 I94 S103 A104 I106 | A70-I96 HydrophobicContact CB-CB 4.32Å; A70-I96 HydrophobicContact CB-CD1 4.05Å; A70-I96 HydrophobicContact CB-CG2 3.85Å; Q71-I96 WeakPolarHBondContact O-CA 3.25Å; A72-I96 HydrophobicContact CB-CG2 3.94Å; I94-I96 HydrophobicContact CD1-CG2 4.24Å; I94-I96 HydrophobicContact CG1-CG2 4.34Å; I94-I96 PolarHBondContact O-N 2.93Å; I96-S103 CarbonylContact O-C 3.59Å; I96-S103 VanDerWaalsContact O-CA 3.26Å; I96-S103 WeakPolarHBondContact O-CA 3.35Å; I96-A104 HydrophobicContact CD1-CB 4.18Å; I96-A104 HydrophobicContact CG1-CB 3.93Å; I96-A104 VanDerWaalsContact CG1-O 3.29Å; I96-A104 WeakPolarHBondContact CG1-O 3.42Å; I96-A104 PolarHBondContact N-O 2.81Å; I96-A104 PolarHBondContact O-N 2.73Å; I96-I106 HydrophobicContact CD1-CD1 4.29Å; I96-I106 HydrophobicContact CD1-CG1 4.46Å; I96-I106 HydrophobicContact CD1-CG2 3.73Å; I96-I106 HydrophobicContact CG1-CG1 4.36Å; I96-I106 HydrophobicContact CG1-CG2 4.16Å; I96-I106 HydrophobicContact CG2-CD1 3.5Å; I96-I106 VanDerWaalsContact CG2-CD1 3.5Å; I96-I106 HydrophobicContact CG2-CG1 3.79Å |
| 97 | Q | 89.2 | Confident | 88.2 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 33% | 0.327 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.2 | 170.5 | -69.5 | -167.8 | -30.6 | 0 | 0 | 109.2 | Q71 P73 R102 S103 | Q71-Q97 PolarHBondContact O-N 2.76Å; P73-Q97 HydrophobicContact CG-CB 4.03Å; P73-Q97 HydrophobicContact CG-CG 3.84Å; Q97-R102 WeakPolarHBondContact CA-O 3.41Å; Q97-S103 PolarHBondContact NE2-OG 2.86Å |
| 98 | D | 85.2 | Confident | 88.5 | Confident | 106 Ų | 106 | 51.8 Ų | 51.8 | 57% | 0.567 | 30% | 0.298 | S | S | * | . | trans | -80.8 | 159.7 | 171.2 | -169 | 9.7 | 0 | 0 | 0 | 110.3 | T100 G101 R102 | D98-T100 PolarHBondContact O-N 2.81Å; D98-G101 PolarHBondContact O-N 3.46Å; D98-R102 PolarHBondContact N-O 2.89Å | ||
| 99 | G | 77.2 | Confident | 88.8 | Confident | 85 Ų | 85 | 50.7 Ų | 50.7 | 88% | 0.876 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -15.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 100 | T | 79.6 | Confident | 89 | Confident | 100 Ų | 100 | 48 Ų | 48 | 61% | 0.613 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 6 | 173.5 | 76.8 | 0 | 0 | 0 | 0 | 113.8 | D98 R102 | D98-T100 PolarHBondContact O-N 2.81Å; T100-R102 VanDerWaalsContact C-N 3.28Å; T100-R102 PolarHBondContact O-N 2.72Å |
| 101 | G | 77.8 | Confident | 89 | Confident | 54 Ų | 54 | 47.2 Ų | 47.2 | 56% | 0.557 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 77.2 | 5.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D98 | D98-G101 PolarHBondContact O-N 3.46Š|
| 102 | R | 85.4 | Confident | 88.9 | Confident | 196 Ų | 196 | 50.1 Ų | 50.1 | 74% | 0.74 | 30% | 0.295 | S | S | * | . | trans | -76.6 | 130.9 | 174.8 | -71.1 | 179.6 | -179.9 | 178.1 | 1.7 | 109.2 | Q97 D98 T100 | Q97-R102 WeakPolarHBondContact CA-O 3.41Å; D98-R102 PolarHBondContact N-O 2.89Å; T100-R102 VanDerWaalsContact C-N 3.28Å; T100-R102 PolarHBondContact O-N 2.72Å | ||
| 103 | S | 86.6 | Confident | 88.7 | Confident | 59 Ų | 59 | 58 Ų | 58 | 41% | 0.413 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.8 | 177.1 | -57.1 | 0 | 0 | 0 | 0 | 110.4 | I96 Q97 | I96-S103 CarbonylContact O-C 3.59Å; I96-S103 VanDerWaalsContact O-CA 3.26Å; I96-S103 WeakPolarHBondContact O-CA 3.35Å; Q97-S103 PolarHBondContact NE2-OG 2.86Å |
| 104 | A | 89.3 | Confident | 88.8 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 38% | 0.38 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 155.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R95 I96 | R95-A104 CarbonylContact C-O 3.6Å; R95-A104 WeakPolarHBondContact CA-O 3.39Å; I96-A104 HydrophobicContact CD1-CB 4.18Å; I96-A104 HydrophobicContact CG1-CB 3.93Å; I96-A104 VanDerWaalsContact CG1-O 3.29Å; I96-A104 WeakPolarHBondContact CG1-O 3.42Å; I96-A104 PolarHBondContact N-O 2.81Å; I96-A104 PolarHBondContact O-N 2.73Å |
| 105 | F | 90.1 | Very high | 88.8 | Confident | 61 Ų | 61 | 61.1 Ų | 61.1 | 27% | 0.268 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.8 | 175.2 | -66.8 | -80.5 | 0 | 0 | 0 | 109.1 | V93 R95 | V93-F105 HydrophobicContact CG1-CB 3.98Å; V93-F105 HydrophobicContact CG1-CD1 4Å; V93-F105 HydrophobicContact CG1-CG 4.42Å; R95-F105 HydrophobicContact CB-CD1 4.01Å; R95-F105 HydrophobicContact CB-CE1 3.74Å; R95-F105 HydrophobicContact CG-CD1 4.25Å; R95-F105 HydrophobicContact CG-CE1 3.85Å; R95-F105 HydrophobicContact CG-CZ 4.14Å |
| 106 | I | 92 | Very high | 88.8 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 146.7 | 174.5 | 61.2 | 167.3 | 0 | 0 | 0 | 109.3 | V19 L60 V93 I94 I96 I108 | V19-I106 HydrophobicContact CG1-CB 4.25Å; V19-I106 HydrophobicContact CG1-CD1 3.95Å; L60-I106 HydrophobicContact CD1-CD1 3.44Å; L60-I106 VanDerWaalsContact CD1-CD1 3.44Å; V93-I106 CarbonylContact C-O 3.56Å; V93-I106 WeakPolarHBondContact CA-O 3.23Å; I94-I106 HydrophobicContact CD1-CD1 4.08Å; I94-I106 HydrophobicContact CD1-CG1 4.22Å; I94-I106 HydrophobicContact CG1-CD1 4.04Å; I94-I106 HydrophobicContact CG1-CG1 3.6Å; I94-I106 PolarHBondContact N-O 2.76Å; I94-I106 PolarHBondContact O-N 2.81Å; I96-I106 HydrophobicContact CD1-CD1 4.29Å; I96-I106 HydrophobicContact CD1-CG1 4.46Å; I96-I106 HydrophobicContact CD1-CG2 3.73Å; I96-I106 HydrophobicContact CG1-CG1 4.36Å; I96-I106 HydrophobicContact CG1-CG2 4.16Å; I96-I106 HydrophobicContact CG2-CD1 3.5Å; I96-I106 VanDerWaalsContact CG2-CD1 3.5Å; I96-I106 HydrophobicContact CG2-CG1 3.79Å; I106-I108 HydrophobicContact CD1-CG2 4.39Å |
| 107 | G | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109 | V19 Y20 F92 | V19-G107 CarbonylContact C-O 3.48Å; V19-G107 VanDerWaalsContact CA-O 3.3Å; V19-G107 WeakPolarHBondContact CA-O 3.42Å; Y20-G107 PolarHBondContact N-O 2.9Å; Y20-G107 WeakPolarHBondContact O-CA 3.4Å; Y20-G107 PolarHBondContact O-N 2.8Å; F92-G107 CarbonylContact O-C 3.57Å; F92-G107 WeakPolarHBondContact O-CA 3.1Å |
| 108 | I | 93.9 | Very high | 89 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 143.9 | 165.9 | 62.5 | 169.6 | 0 | 0 | 0 | 108.4 | V17 S18 V19 L47 L60 Y91 F92 I94 I106 F110 F119 | V17-I108 HydrophobicContact CG2-CB 4.1Å; S18-I108 CarbonylContact O-C 3.52Å; S18-I108 WeakPolarHBondContact O-CA 3.23Å; V19-I108 HydrophobicContact CG2-CG2 4.22Å; L47-I108 HydrophobicContact CD1-CD1 3.86Å; L60-I108 HydrophobicContact CD1-CG2 4.4Å; L60-I108 HydrophobicContact CD2-CG2 4.49Å; Y91-I108 CarbonylContact C-O 3.55Å; Y91-I108 VanDerWaalsContact CA-O 3.3Å; Y91-I108 WeakPolarHBondContact CA-O 3.27Å; F92-I108 HydrophobicContact CB-CD1 4.22Å; F92-I108 HydrophobicContact CB-CG1 3.8Å; F92-I108 HydrophobicContact CD2-CG1 4.49Å; F92-I108 PolarHBondContact N-O 2.79Å; F92-I108 PolarHBondContact O-N 2.79Å; I94-I108 HydrophobicContact CD1-CD1 4.33Å; I94-I108 HydrophobicContact CD1-CG2 3.77Å; I94-I108 HydrophobicContact CG1-CG2 4Å; I94-I108 HydrophobicContact CG2-CD1 3.8Å; I94-I108 HydrophobicContact CG2-CG1 4.18Å; I106-I108 HydrophobicContact CD1-CG2 4.39Å; I108-F110 HydrophobicContact CD1-CE2 4.18Å; I108-F110 HydrophobicContact CD1-CZ 4.28Å; I108-F119 HydrophobicContact CD1-CE1 4.13Å; I108-F119 HydrophobicContact CD1-CE2 4.02Å; I108-F119 HydrophobicContact CD1-CZ 3.73Å |
| 109 | G | 93.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 138.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S18 R90 | S18-G109 PolarHBondContact N-O 3.24Å; S18-G109 PolarHBondContact O-N 2.85Å; R90-G109 WeakPolarHBondContact O-CA 3.4Å |
| 110 | F | 93.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143.9 | 171.8 | -60.4 | -87.3 | 0 | 0 | 0 | 109.6 | K14 V17 L47 R90 F92 I108 D112 D115 A116 F119 | K14-F110 HydrophobicContact CB-CE1 4.13Å; K14-F110 HydrophobicContact CG-CE1 4.15Å; V17-F110 HydrophobicContact CG2-CE1 4.35Å; L47-F110 HydrophobicContact CD1-CZ 4.21Å; R90-F110 PolarHBondContact O-N 3.05Å; F92-F110 HydrophobicContact CD2-CD2 4.02Å; F92-F110 AromaticContact CD2-CE2 3.72Å; F92-F110 HydrophobicContact CD2-CE2 3.72Å; F92-F110 AromaticContact CE2-CD2 3.8Å; F92-F110 HydrophobicContact CE2-CD2 3.8Å; F92-F110 AromaticContact CE2-CE2 3.71Å; F92-F110 HydrophobicContact CE2-CE2 3.71Å; I108-F110 HydrophobicContact CD1-CE2 4.18Å; I108-F110 HydrophobicContact CD1-CZ 4.28Å; F110-D112 WeakPolarHBondContact CB-O 3.38Å; F110-D115 HydrophobicContact CB-CB 4.28Å; F110-D115 HydrophobicContact CD1-CB 3.93Å; F110-D115 HydrophobicContact CG-CB 4.33Å; F110-A116 HydrophobicContact CB-CB 4.01Å; F110-A116 VanDerWaalsContact CD2-CA 3.5Å; F110-A116 HydrophobicContact CD2-CB 3.64Å; F110-A116 HydrophobicContact CE2-CB 4.44Å; F110-A116 HydrophobicContact CG-CB 4.03Å; F110-F119 HydrophobicContact CE1-CB 4.32Å; F110-F119 HydrophobicContact CE2-CB 3.89Å; F110-F119 HydrophobicContact CE2-CD1 4Å; F110-F119 HydrophobicContact CE2-CD2 4.37Å; F110-F119 AromaticContact CE2-CG 3.83Å; F110-F119 HydrophobicContact CE2-CG 3.83Å; F110-F119 HydrophobicContact CZ-CB 3.56Å; F110-F119 HydrophobicContact CZ-CD1 4.19Å; F110-F119 AromaticContact CZ-CD2 3.75Å; F110-F119 HydrophobicContact CZ-CD2 3.75Å; F110-F119 AromaticContact CZ-CG 3.56Å; F110-F119 HydrophobicContact CZ-CG 3.56Å |
| 111 | T | 90.7 | Very high | 90.4 | Very high | 81 Ų | 81 | 54 Ų | 54 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -64.6 | -48.5 | 172.5 | 49.7 | 0 | 0 | 0 | 0 | 109.6 | D16 R90 | D16-T111 HydrophobicContact CB-CG2 4.45Å; R90-T111 PolarHBondContact NH1-O 3.41Å |
| 112 | D | 91.3 | Very high | 91 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -96.8 | 148.7 | 179.7 | -169.1 | 60.5 | 0 | 0 | 0 | 113.4 | F110 G114 D115 A116 | F110-D112 WeakPolarHBondContact CB-O 3.38Å; D112-G114 VanDerWaalsContact OD2-CA 3.25Å; D112-G114 WeakPolarHBondContact OD2-CA 3.42Å; D112-G114 PolarHBondContact OD2-N 3.24Å; D112-D115 HydrophobicContact CB-CB 4.44Å; D112-A116 PolarHBondContact O-N 3.34Å |
| 113 | R | 89.7 | Confident | 91.2 | Very high | 170 Ų | 170 | 43.4 Ų | 43.4 | 64% | 0.642 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -77.1 | -31.6 | 178.7 | -172.2 | 176.8 | -178.2 | 176.1 | -1.7 | 112.6 | S89 R90 A116 F117 | S89-R113 PolarHBondContact OG-NE 3.36Å; R90-R113 HydrophobicContact CG-CB 4.2Å; R90-R113 HydrophobicContact CG-CG 4.37Å; R113-A116 PolarHBondContact O-N 3.28Å; R113-F117 WeakPolarHBondContact O-CB 3.38Å; R113-F117 PolarHBondContact O-N 2.93Å |
| 114 | G | 92.4 | Very high | 91.3 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D112 A116 F117 D118 | D112-G114 VanDerWaalsContact OD2-CA 3.25Å; D112-G114 WeakPolarHBondContact OD2-CA 3.42Å; D112-G114 PolarHBondContact OD2-N 3.24Å; G114-A116 PolarHBondContact O-N 3.36Å; G114-F117 WeakPolarHBondContact O-CB 3.26Å; G114-F117 PolarHBondContact O-N 3.31Å; G114-F117 VanDerWaalsContact O-N 3.11Å; G114-D118 PolarHBondContact O-N 3.25Å |
| 115 | D | 92.1 | Very high | 91.2 | Very high | 35 Ų | 35 | 45 Ų | 45 | 19% | 0.187 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 177.5 | -75.1 | -28.3 | 0 | 0 | 0 | 113.3 | K14 F110 D112 F117 D118 F119 | K14-D115 HydrophobicContact CD-CB 4.1Å; K14-D115 WeakPolarHBondContact CD-OD1 3.29Å; K14-D115 WeakPolarHBondContact CE-OD1 3.36Å; K14-D115 IonicContact NZ-OD1 2.72Å; K14-D115 PolarHBondContact NZ-OD1 3.43Å; F110-D115 HydrophobicContact CB-CB 4.28Å; F110-D115 HydrophobicContact CD1-CB 3.93Å; F110-D115 HydrophobicContact CG-CB 4.33Å; D112-D115 HydrophobicContact CB-CB 4.44Å; D115-F117 VanDerWaalsContact C-N 3.32Å; D115-D118 PolarHBondContact O-N 3.11Å; D115-F119 WeakPolarHBondContact O-CB 3.23Å; D115-F119 PolarHBondContact O-N 2.99Å |
| 116 | A | 92.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S89 R90 F92 F110 D112 R113 G114 N120 | S89-A116 WeakPolarHBondContact O-CB 3.18Å; R90-A116 HydrophobicContact CB-CB 4.49Å; F92-A116 HydrophobicContact CE2-CB 3.72Å; F92-A116 HydrophobicContact CZ-CB 4.12Å; F92-A116 WeakPolarHBondContact CZ-O 3.46Å; F110-A116 HydrophobicContact CB-CB 4.01Å; F110-A116 VanDerWaalsContact CD2-CA 3.5Å; F110-A116 HydrophobicContact CD2-CB 3.64Å; F110-A116 HydrophobicContact CE2-CB 4.44Å; F110-A116 HydrophobicContact CG-CB 4.03Å; D112-A116 PolarHBondContact O-N 3.34Å; R113-A116 PolarHBondContact O-N 3.28Å; G114-A116 PolarHBondContact O-N 3.36Å; A116-N120 PolarHBondContact O-N 3.33Å |
| 117 | F | 91.8 | Very high | 90.5 | Very high | 130 Ų | 130 | 42.6 Ų | 42.6 | 57% | 0.57 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -67.5 | -46.9 | 177.5 | -179.2 | -100.3 | 0 | 0 | 0 | 111.3 | R113 G114 D115 F119 N120 V121 | R113-F117 WeakPolarHBondContact O-CB 3.38Å; R113-F117 PolarHBondContact O-N 2.93Å; G114-F117 WeakPolarHBondContact O-CB 3.26Å; G114-F117 PolarHBondContact O-N 3.31Å; G114-F117 VanDerWaalsContact O-N 3.11Å; D115-F117 VanDerWaalsContact C-N 3.32Å; F117-F119 VanDerWaalsContact C-N 3.33Å; F117-F119 PolarHBondContact O-N 3.21Å; F117-N120 WeakPolarHBondContact O-CB 3.31Å; F117-N120 PolarHBondContact O-N 2.95Å; F117-N120 VanDerWaalsContact O-N 3.13Å; F117-V121 HydrophobicContact CD1-CG2 4.02Å; F117-V121 HydrophobicContact CD2-CG2 4.31Å; F117-V121 HydrophobicContact CE1-CG2 3.6Å; F117-V121 HydrophobicContact CE2-CG2 3.91Å; F117-V121 HydrophobicContact CG-CG2 4.37Å; F117-V121 HydrophobicContact CZ-CG2 3.54Å; F117-V121 WeakPolarHBondContact O-CG2 3.27Å; F117-V121 PolarHBondContact O-N 3.02Å |
| 118 | D | 92 | Very high | 90.1 | Very high | 69 Ų | 69 | 48.2 Ų | 48.2 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.8 | -45.5 | 176 | -73.6 | -6.4 | 0 | 0 | 0 | 111.2 | K14 G114 D115 N120 V121 S122 | K14-D118 IonicContact NZ-OD2 2.69Å; K14-D118 PolarHBondContact NZ-OD2 3.22Å; G114-D118 PolarHBondContact O-N 3.25Å; D115-D118 PolarHBondContact O-N 3.11Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.11Å; D118-V121 PolarHBondContact O-N 2.89Å; D118-S122 VanDerWaalsContact O-CB 3.27Å; D118-S122 WeakPolarHBondContact O-CB 3.41Å; D118-S122 PolarHBondContact O-N 2.91Å; D118-S122 PolarHBondContact O-OG 3.49Å |
| 119 | F | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.4 | -47.6 | 175.1 | 167.7 | -95.7 | 0 | 0 | 0 | 111.9 | L47 I49 I58 V82 F92 I94 I108 F110 D115 F117 L123 | L47-F119 HydrophobicContact CD1-CD2 4.24Å; L47-F119 HydrophobicContact CD1-CE2 4.06Å; L47-F119 HydrophobicContact CD2-CD2 3.81Å; L47-F119 HydrophobicContact CD2-CE2 4.13Å; I49-F119 HydrophobicContact CD1-CD2 3.48Å; I49-F119 VanDerWaalsContact CD1-CD2 3.48Å; I49-F119 HydrophobicContact CD1-CE2 3.69Å; I49-F119 HydrophobicContact CD1-CG 4.43Å; I49-F119 HydrophobicContact CG1-CD2 4.32Å; I49-F119 HydrophobicContact CG1-CE2 4.38Å; I58-F119 HydrophobicContact CD1-CE2 3.93Å; I58-F119 HydrophobicContact CD1-CZ 3.86Å; I58-F119 HydrophobicContact CG1-CE2 4.32Å; I58-F119 HydrophobicContact CG2-CE2 4.34Å; V82-F119 HydrophobicContact CG1-CE1 3.91Å; V82-F119 HydrophobicContact CG1-CZ 4.15Å; F92-F119 HydrophobicContact CB-CE1 4.37Å; F92-F119 HydrophobicContact CD1-CD1 4.34Å; F92-F119 HydrophobicContact CD1-CE1 4.1Å; F92-F119 HydrophobicContact CD2-CD1 4.14Å; F92-F119 HydrophobicContact CD2-CE1 4.24Å; F92-F119 HydrophobicContact CE1-CD1 4.29Å; F92-F119 HydrophobicContact CE1-CE1 4.47Å; F92-F119 HydrophobicContact CE2-CD1 4.1Å; F92-F119 HydrophobicContact CG-CD1 4.27Å; F92-F119 AromaticContact CG-CE1 3.98Å; F92-F119 HydrophobicContact CG-CE1 3.98Å; F92-F119 HydrophobicContact CZ-CD1 4.18Å; I94-F119 HydrophobicContact CG2-CZ 4.28Å; I108-F119 HydrophobicContact CD1-CE1 4.13Å; I108-F119 HydrophobicContact CD1-CE2 4.02Å; I108-F119 HydrophobicContact CD1-CZ 3.73Å; F110-F119 HydrophobicContact CE1-CB 4.32Å; F110-F119 HydrophobicContact CE2-CB 3.89Å; F110-F119 HydrophobicContact CE2-CD1 4Å; F110-F119 HydrophobicContact CE2-CD2 4.37Å; F110-F119 AromaticContact CE2-CG 3.83Å; F110-F119 HydrophobicContact CE2-CG 3.83Å; F110-F119 HydrophobicContact CZ-CB 3.56Å; F110-F119 HydrophobicContact CZ-CD1 4.19Å; F110-F119 AromaticContact CZ-CD2 3.75Å; F110-F119 HydrophobicContact CZ-CD2 3.75Å; F110-F119 AromaticContact CZ-CG 3.56Å; F110-F119 HydrophobicContact CZ-CG 3.56Å; D115-F119 WeakPolarHBondContact O-CB 3.23Å; D115-F119 PolarHBondContact O-N 2.99Å; F117-F119 VanDerWaalsContact C-N 3.33Å; F117-F119 PolarHBondContact O-N 3.21Å; F119-L123 HydrophobicContact CD1-CD1 4.37Å; F119-L123 HydrophobicContact CD2-CD1 4.43Å; F119-L123 HydrophobicContact CE1-CD1 3.78Å; F119-L123 HydrophobicContact CE2-CD1 3.82Å; F119-L123 HydrophobicContact CZ-CD1 3.46Å; F119-L123 VanDerWaalsContact CZ-CD1 3.46Å; F119-L123 WeakPolarHBondContact O-CG 3.37Å; F119-L123 PolarHBondContact O-N 2.9Å |
| 120 | N | 90.3 | Very high | 88.7 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 17% | 0.166 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.9 | -42.2 | -178.3 | -164 | 34.2 | 0 | 0 | 0 | 112 | Y77 F92 A116 F117 D118 Q124 | Y77-N120 PolarHBondContact OH-OD1 2.94Å; F92-N120 HydrophobicContact CE1-CB 4.26Å; F92-N120 HydrophobicContact CZ-CB 4.37Å; A116-N120 PolarHBondContact O-N 3.33Å; F117-N120 WeakPolarHBondContact O-CB 3.31Å; F117-N120 PolarHBondContact O-N 2.95Å; F117-N120 VanDerWaalsContact O-N 3.13Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.11Å; N120-Q124 PolarHBondContact ND2-NE2 2.81Å; N120-Q124 WeakPolarHBondContact O-CB 3.44Å; N120-Q124 WeakPolarHBondContact O-CG 3.5Å; N120-Q124 PolarHBondContact O-N 3.37Å; N120-Q124 VanDerWaalsContact O-N 3.08Å |
| 121 | V | 91.1 | Very high | 87.8 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 35% | 0.345 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.5 | -43.1 | 179.7 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | F117 D118 L123 Q124 D125 | F117-V121 HydrophobicContact CD1-CG2 4.02Å; F117-V121 HydrophobicContact CD2-CG2 4.31Å; F117-V121 HydrophobicContact CE1-CG2 3.6Å; F117-V121 HydrophobicContact CE2-CG2 3.91Å; F117-V121 HydrophobicContact CG-CG2 4.37Å; F117-V121 HydrophobicContact CZ-CG2 3.54Å; F117-V121 WeakPolarHBondContact O-CG2 3.27Å; F117-V121 PolarHBondContact O-N 3.02Å; D118-V121 PolarHBondContact O-N 2.89Å; V121-L123 VanDerWaalsContact C-N 3.3Å; V121-L123 PolarHBondContact O-N 2.94Å; V121-Q124 PolarHBondContact O-N 3.16Å; V121-Q124 VanDerWaalsContact O-N 3.16Å; V121-D125 WeakPolarHBondContact O-CB 3.47Å; V121-D125 PolarHBondContact O-N 3.08Å |
| 122 | S | 90.4 | Very high | 86.7 | Confident | 28 Ų | 28 | 63.4 Ų | 63.4 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.2 | -40.6 | 177.9 | -67 | 0 | 0 | 0 | 0 | 111.9 | D118 H126 | D118-S122 VanDerWaalsContact O-CB 3.27Å; D118-S122 WeakPolarHBondContact O-CB 3.41Å; D118-S122 PolarHBondContact O-N 2.91Å; D118-S122 PolarHBondContact O-OG 3.49Å; S122-H126 WeakPolarHBondContact O-CB 3.39Å; S122-H126 PolarHBondContact O-N 2.89Å |
| 123 | L | 88.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.7 | -50.9 | 172.6 | -72.8 | 170.5 | 0 | 0 | 0 | 111.1 | I49 A56 I58 Y77 V82 F119 V121 D125 H126 F127 | I49-L123 HydrophobicContact CD1-CD1 4.37Å; I49-L123 HydrophobicContact CD1-CD2 4.06Å; I49-L123 HydrophobicContact CD1-CG 3.87Å; I49-L123 HydrophobicContact CG2-CD2 3.86Å; A56-L123 HydrophobicContact CB-CD2 4.1Å; I58-L123 HydrophobicContact CD1-CD1 4.12Å; I58-L123 HydrophobicContact CD1-CD2 4.4Å; I58-L123 HydrophobicContact CG1-CD2 4.36Å; Y77-L123 HydrophobicContact CD2-CB 4.35Å; V82-L123 HydrophobicContact CG1-CD1 4.35Å; V82-L123 HydrophobicContact CG2-CD1 4.1Å; F119-L123 HydrophobicContact CD1-CD1 4.37Å; F119-L123 HydrophobicContact CD2-CD1 4.43Å; F119-L123 HydrophobicContact CE1-CD1 3.78Å; F119-L123 HydrophobicContact CE2-CD1 3.82Å; F119-L123 HydrophobicContact CZ-CD1 3.46Å; F119-L123 VanDerWaalsContact CZ-CD1 3.46Å; F119-L123 WeakPolarHBondContact O-CG 3.37Å; F119-L123 PolarHBondContact O-N 2.9Å; V121-L123 VanDerWaalsContact C-N 3.3Å; V121-L123 PolarHBondContact O-N 2.94Å; L123-D125 VanDerWaalsContact C-N 3.33Å; L123-D125 PolarHBondContact O-N 2.87Å; L123-H126 PolarHBondContact O-N 3.27Å; L123-F127 HydrophobicContact CD2-CE2 4.29Å; L123-F127 WeakPolarHBondContact O-CD2 3.39Å; L123-F127 PolarHBondContact O-N 3.25Å |
| 124 | Q | 88.1 | Confident | 84.8 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 27% | 0.271 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.9 | -46.2 | -179.9 | -81.5 | 179.5 | 38.2 | 0 | 0 | 113.3 | Y77 N120 V121 F127 K128 | Y77-Q124 HydrophobicContact CD1-CG 3.63Å; Y77-Q124 HydrophobicContact CE1-CB 4.34Å; Y77-Q124 HydrophobicContact CE1-CG 3.07Å; Y77-Q124 PolarHBondContact OH-NE2 2.78Å; N120-Q124 PolarHBondContact ND2-NE2 2.81Å; N120-Q124 WeakPolarHBondContact O-CB 3.44Å; N120-Q124 WeakPolarHBondContact O-CG 3.5Å; N120-Q124 PolarHBondContact O-N 3.37Å; N120-Q124 VanDerWaalsContact O-N 3.08Å; V121-Q124 PolarHBondContact O-N 3.16Å; V121-Q124 VanDerWaalsContact O-N 3.16Å; Q124-F127 PolarHBondContact O-N 2.89Å; Q124-K128 VanDerWaalsContact O-CG 3.26Å; Q124-K128 WeakPolarHBondContact O-CG 3.32Å; Q124-K128 PolarHBondContact O-N 3.13Å |
| 125 | D | 88.3 | Confident | 83.7 | Confident | 80 Ų | 80 | 62 Ų | 62 | 43% | 0.428 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.2 | -46.8 | -179.2 | -167.4 | 60.7 | 0 | 0 | 0 | 110.5 | V121 L123 F127 K128 W129 | V121-D125 WeakPolarHBondContact O-CB 3.47Å; V121-D125 PolarHBondContact O-N 3.08Å; L123-D125 VanDerWaalsContact C-N 3.33Å; L123-D125 PolarHBondContact O-N 2.87Å; D125-F127 PolarHBondContact O-N 3.32Å; D125-K128 WeakPolarHBondContact O-CB 3.49Å; D125-K128 PolarHBondContact O-N 2.75Å; D125-K128 VanDerWaalsContact O-N 3.11Å; D125-W129 PolarHBondContact O-N 2.72Å; D125-W129 PolarHBondContact OD2-NE1 2.96Å |
| 126 | H | 84 | Confident | 82.6 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.9 | -46.3 | 176.1 | 177.6 | -103.3 | 0 | 0 | 0 | 112.6 | L11 S51 S122 L123 K128 W129 V130 | L11-H126 HydrophobicContact CD1-CB 3.47Å; L11-H126 VanDerWaalsContact CD1-CB 3.47Å; L11-H126 HydrophobicContact CD2-CB 4.09Å; L11-H126 HydrophobicContact CG-CB 4.44Å; S51-H126 WeakPolarHBondContact CB-NE2 3.4Å; S51-H126 PolarHBondContact OG-CD2 2.84Å; S51-H126 PolarHBondContact OG-NE2 2.77Å; S122-H126 WeakPolarHBondContact O-CB 3.39Å; S122-H126 PolarHBondContact O-N 2.89Å; L123-H126 PolarHBondContact O-N 3.27Å; H126-K128 VanDerWaalsContact C-N 3.33Å; H126-K128 PolarHBondContact O-N 3.42Å; H126-W129 PolarHBondContact O-N 3.47Å; H126-V130 WeakPolarHBondContact CE1-CG2 3.26Å; H126-V130 WeakPolarHBondContact NE2-CG2 3.45Å; H126-V130 WeakPolarHBondContact O-CB 3.5Å; H126-V130 VanDerWaalsContact O-CG2 3.29Å; H126-V130 WeakPolarHBondContact O-CG2 3.33Å; H126-V130 PolarHBondContact O-N 2.84Å |
| 127 | F | 82.9 | Confident | 81.1 | Confident | 17 Ų | 17 | 68 Ų | 68 | 8% | 0.075 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.1 | -27.9 | 178.7 | -73.3 | -74.8 | 0 | 0 | 0 | 113.6 | A56 V74 E75 Y77 L123 Q124 D125 K131 | A56-F127 HydrophobicContact CB-CE2 3.96Å; A56-F127 HydrophobicContact CB-CZ 3.75Å; V74-F127 HydrophobicContact CB-CE2 4.29Å; V74-F127 HydrophobicContact CB-CZ 3.87Å; V74-F127 HydrophobicContact CG1-CE1 4.49Å; V74-F127 HydrophobicContact CG1-CE2 3.62Å; V74-F127 HydrophobicContact CG1-CZ 3.43Å; V74-F127 VanDerWaalsContact CG1-CZ 3.43Å; V74-F127 VanDerWaalsContact O-CZ 3.25Å; V74-F127 WeakPolarHBondContact O-CZ 3.46Å; E75-F127 WeakPolarHBondContact O-CE1 3.3Å; Y77-F127 HydrophobicContact CG-CD2 4.06Å; L123-F127 HydrophobicContact CD2-CE2 4.29Å; L123-F127 WeakPolarHBondContact O-CD2 3.39Å; L123-F127 PolarHBondContact O-N 3.25Å; Q124-F127 PolarHBondContact O-N 2.89Å; D125-F127 PolarHBondContact O-N 3.32Å; F127-K131 VanDerWaalsContact O-CB 3.23Å; F127-K131 WeakPolarHBondContact O-CB 3.36Å; F127-K131 PolarHBondContact O-N 3.27Å |
| 128 | K | 83.4 | Confident | 79.8 | Confident | 118 Ų | 118 | 68.3 Ų | 68.3 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 170.4 | -72.2 | 168.3 | -175.1 | 175.9 | 0 | 111 | Q124 D125 H126 Q132 | Q124-K128 VanDerWaalsContact O-CG 3.26Å; Q124-K128 WeakPolarHBondContact O-CG 3.32Å; Q124-K128 PolarHBondContact O-N 3.13Å; D125-K128 WeakPolarHBondContact O-CB 3.49Å; D125-K128 PolarHBondContact O-N 2.75Å; D125-K128 VanDerWaalsContact O-N 3.11Å; H126-K128 VanDerWaalsContact C-N 3.33Å; H126-K128 PolarHBondContact O-N 3.42Å; K128-Q132 WeakPolarHBondContact O-CG 3.36Å; K128-Q132 PolarHBondContact O-N 3.42Å; K128-Q132 PolarHBondContact O-NE2 3.21Å |
| 129 | W | 78.4 | Confident | 78.2 | Confident | 140 Ų | 140 | 70.5 Ų | 70.5 | 53% | 0.53 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.7 | -48.9 | 175.3 | -78.3 | 104.9 | 0 | 0 | 0 | 111.7 | D125 H126 K131 Q132 E133 | D125-W129 PolarHBondContact O-N 2.72Å; D125-W129 PolarHBondContact OD2-NE1 2.96Å; H126-W129 PolarHBondContact O-N 3.47Å; W129-K131 VanDerWaalsContact C-N 3.31Å; W129-K131 PolarHBondContact O-N 2.91Å; W129-Q132 WeakPolarHBondContact O-CB 3.36Å; W129-Q132 PolarHBondContact O-N 2.76Å; W129-Q132 VanDerWaalsContact O-N 3.11Å; W129-E133 PolarHBondContact O-N 2.88Å |
| 130 | V | 80.3 | Confident | 76.6 | Confident | 15 Ų | 15 | 73.2 Ų | 73.2 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.5 | -40.2 | 177.4 | 166.1 | 0 | 0 | 0 | 0 | 112.1 | K54 H126 S134 | K54-V130 HydrophobicContact CB-CG1 3.81Å; K54-V130 HydrophobicContact CG-CG1 4.12Å; H126-V130 WeakPolarHBondContact CE1-CG2 3.26Å; H126-V130 WeakPolarHBondContact NE2-CG2 3.45Å; H126-V130 WeakPolarHBondContact O-CB 3.5Å; H126-V130 VanDerWaalsContact O-CG2 3.29Å; H126-V130 WeakPolarHBondContact O-CG2 3.33Å; H126-V130 PolarHBondContact O-N 2.84Å; V130-S134 WeakPolarHBondContact O-CA 3.3Å; V130-S134 WeakPolarHBondContact O-CB 3.38Å; V130-S134 PolarHBondContact O-N 3.36Å |
| 131 | K | 74.8 | Confident | 75 | Confident | 151 Ų | 151 | 78.5 Ų | 78.5 | 66% | 0.657 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 177.3 | -173.9 | 178.8 | 177.4 | -175.9 | 0 | 111.1 | F127 W129 S134 E135 | F127-K131 VanDerWaalsContact O-CB 3.23Å; F127-K131 WeakPolarHBondContact O-CB 3.36Å; F127-K131 PolarHBondContact O-N 3.27Å; W129-K131 VanDerWaalsContact C-N 3.31Å; W129-K131 PolarHBondContact O-N 2.91Å; K131-S134 PolarHBondContact O-N 2.75Å; K131-E135 WeakPolarHBondContact O-CB 3.37Å; K131-E135 PolarHBondContact O-N 2.75Å |
| 132 | Q | 68.2 | Low | 73.2 | Confident | 98 Ų | 98 | 81.8 Ų | 81.8 | 46% | 0.458 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.4 | -47.7 | 176.2 | -74.1 | 169.4 | 73.5 | 0 | 0 | 111.6 | K128 W129 S134 E135 I136 | K128-Q132 WeakPolarHBondContact O-CG 3.36Å; K128-Q132 PolarHBondContact O-N 3.42Å; K128-Q132 PolarHBondContact O-NE2 3.21Å; W129-Q132 WeakPolarHBondContact O-CB 3.36Å; W129-Q132 PolarHBondContact O-N 2.76Å; W129-Q132 VanDerWaalsContact O-N 3.11Å; Q132-S134 VanDerWaalsContact C-N 3.31Å; Q132-S134 PolarHBondContact O-N 2.86Å; Q132-E135 PolarHBondContact O-N 2.84Å; Q132-E135 VanDerWaalsContact O-N 3.12Å; Q132-I136 VanDerWaalsContact O-CG1 3.27Å; Q132-I136 WeakPolarHBondContact O-CG1 3.47Å; Q132-I136 PolarHBondContact O-N 2.79Å |
| 133 | E | 68 | Low | 71.2 | Confident | 110 Ų | 110 | 86.4 Ų | 86.4 | 51% | 0.514 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.6 | -37 | 176.4 | -75.8 | -177.9 | 172.1 | 0 | 0 | 112.3 | W129 E135 S137 | W129-E133 PolarHBondContact O-N 2.88Å; E133-E135 VanDerWaalsContact C-N 3.31Å; E133-E135 PolarHBondContact O-N 3.01Å; E133-S137 WeakPolarHBondContact O-CB 3.45Å; E133-S137 PolarHBondContact O-N 3.14Å; E133-S137 PolarHBondContact O-OG 2.81Å |
| 134 | S | 71.5 | Confident | 69.4 | Low | 29 Ų | 29 | 93.4 Ų | 93.4 | 20% | 0.203 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 172.6 | 165.2 | 0 | 0 | 0 | 0 | 111.6 | V130 K131 Q132 K138 | V130-S134 WeakPolarHBondContact O-CA 3.3Å; V130-S134 WeakPolarHBondContact O-CB 3.38Å; V130-S134 PolarHBondContact O-N 3.36Å; K131-S134 PolarHBondContact O-N 2.75Å; Q132-S134 VanDerWaalsContact C-N 3.31Å; Q132-S134 PolarHBondContact O-N 2.86Å; S134-K138 WeakPolarHBondContact O-CB 3.32Å; S134-K138 WeakPolarHBondContact O-CG 3.44Å; S134-K138 PolarHBondContact O-N 3.37Å |
| 135 | E | 69.6 | Low | 67.6 | Low | 124 Ų | 124 | 94.5 Ų | 94.5 | 58% | 0.579 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -72.7 | -44.3 | 179.3 | -165.8 | 159.9 | -158.5 | 0 | 0 | 110.9 | K131 Q132 E133 S137 K138 E139 | K131-E135 WeakPolarHBondContact O-CB 3.37Å; K131-E135 PolarHBondContact O-N 2.75Å; Q132-E135 PolarHBondContact O-N 2.84Å; Q132-E135 VanDerWaalsContact O-N 3.12Å; E133-E135 VanDerWaalsContact C-N 3.31Å; E133-E135 PolarHBondContact O-N 3.01Å; E135-S137 VanDerWaalsContact C-N 3.34Å; E135-S137 PolarHBondContact O-N 2.76Å; E135-K138 PolarHBondContact O-N 3.04Å; E135-E139 WeakPolarHBondContact O-CB 3.49Å; E135-E139 PolarHBondContact O-N 2.57Å |
| 136 | I | 68.5 | Low | 65.6 | Low | 107 Ų | 107 | 98.7 Ų | 98.7 | 55% | 0.549 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 173.3 | -65.5 | 162.1 | 0 | 0 | 0 | 111.2 | Q132 E139 S140 | Q132-I136 VanDerWaalsContact O-CG1 3.27Å; Q132-I136 WeakPolarHBondContact O-CG1 3.47Å; Q132-I136 PolarHBondContact O-N 2.79Å; I136-E139 PolarHBondContact O-N 3.06Å; I136-S140 WeakPolarHBondContact O-CB 3.48Å; I136-S140 PolarHBondContact O-N 3.43Å; I136-S140 PolarHBondContact O-OG 3.11Å |
| 137 | S | 62.1 | Low | 64 | Low | 56 Ų | 56 | 103.7 Ų | 103.7 | 39% | 0.392 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.9 | -34.6 | 178 | -59 | 0 | 0 | 0 | 0 | 112.2 | E133 E135 S140 Q141 | E133-S137 WeakPolarHBondContact O-CB 3.45Å; E133-S137 PolarHBondContact O-N 3.14Å; E133-S137 PolarHBondContact O-OG 2.81Å; E135-S137 VanDerWaalsContact C-N 3.34Å; E135-S137 PolarHBondContact O-N 2.76Å; S137-S140 WeakPolarHBondContact CA-OG 3.25Å; S137-S140 PolarHBondContact O-OG 2.77Å; S137-Q141 WeakPolarHBondContact O-CB 3.42Å; S137-Q141 PolarHBondContact O-N 3.49Å |
| 138 | K | 63.4 | Low | 62.2 | Low | 135 Ų | 135 | 111.4 Ų | 111.4 | 59% | 0.587 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.3 | -39.7 | 171.7 | -85.7 | -178.8 | 173.3 | -175.8 | 0 | 111.1 | S134 E135 Q141 E142 | S134-K138 WeakPolarHBondContact O-CB 3.32Å; S134-K138 WeakPolarHBondContact O-CG 3.44Å; S134-K138 PolarHBondContact O-N 3.37Å; E135-K138 PolarHBondContact O-N 3.04Å; K138-Q141 PolarHBondContact O-N 3.43Å; K138-E142 WeakPolarHBondContact O-CB 3.36Å; K138-E142 PolarHBondContact O-N 2.72Å |
| 139 | E | 59.1 | Low | 60.6 | Low | 115 Ų | 115 | 112.5 Ų | 112.5 | 54% | 0.537 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.9 | -42.2 | 176.3 | -175.8 | 171.8 | -168.8 | 0 | 0 | 111.1 | E135 I136 Q141 E142 M143 | E135-E139 WeakPolarHBondContact O-CB 3.49Å; E135-E139 PolarHBondContact O-N 2.57Å; I136-E139 PolarHBondContact O-N 3.06Å; E139-Q141 VanDerWaalsContact C-N 3.34Å; E139-Q141 PolarHBondContact O-N 3.36Å; E139-E142 CarbonylContact O-C 3.6Å; E139-E142 PolarHBondContact O-N 3.48Å; E139-M143 HydrophobicContact CG-CG 4.41Å; E139-M143 VanDerWaalsContact O-CB 3.3Å; E139-M143 WeakPolarHBondContact O-CB 3.27Å; E139-M143 WeakPolarHBondContact O-CG 3.26Å; E139-M143 PolarHBondContact O-N 3.36Å |
| 140 | S | 58 | Low | 59.3 | Low | 57 Ų | 57 | 111.8 Ų | 111.8 | 40% | 0.399 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.6 | -40.3 | 174.5 | 64.2 | 0 | 0 | 0 | 0 | 111.6 | I136 S137 M143 D144 | I136-S140 WeakPolarHBondContact O-CB 3.48Å; I136-S140 PolarHBondContact O-N 3.43Å; I136-S140 PolarHBondContact O-OG 3.11Å; S137-S140 WeakPolarHBondContact CA-OG 3.25Å; S137-S140 PolarHBondContact O-OG 2.77Å; S140-M143 PolarHBondContact O-N 3.02Å; S140-D144 PolarHBondContact O-N 2.77Å |
| 141 | Q | 56.2 | Low | 58.4 | Low | 142 Ų | 142 | 117.8 Ų | 117.8 | 66% | 0.664 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70 | -30.6 | 175.4 | -164.4 | 168 | 8.8 | 0 | 0 | 112.7 | S137 K138 E139 A145 | S137-Q141 WeakPolarHBondContact O-CB 3.42Å; S137-Q141 PolarHBondContact O-N 3.49Å; K138-Q141 PolarHBondContact O-N 3.43Å; E139-Q141 VanDerWaalsContact C-N 3.34Å; E139-Q141 PolarHBondContact O-N 3.36Å; Q141-A145 VanDerWaalsContact O-CB 3.3Å; Q141-A145 WeakPolarHBondContact O-CB 3.32Å; Q141-A145 PolarHBondContact O-N 3.24Å |
| 142 | E | 52.7 | Low | 57.5 | Low | 126 Ų | 126 | 113.1 Ų | 113.1 | 59% | 0.589 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -78.7 | -27.4 | 172.8 | -168.7 | 174.4 | 169.6 | 0 | 0 | 112.1 | K138 E139 A145 R146 | K138-E142 WeakPolarHBondContact O-CB 3.36Å; K138-E142 PolarHBondContact O-N 2.72Å; E139-E142 CarbonylContact O-C 3.6Å; E139-E142 PolarHBondContact O-N 3.48Å; E142-A145 CarbonylContact O-C 3.54Å; E142-A145 PolarHBondContact O-N 3.3Å; E142-R146 WeakPolarHBondContact O-CB 3.37Å; E142-R146 WeakPolarHBondContact O-CG 3.16Å; E142-R146 PolarHBondContact O-N 3.22Å |
| 143 | M | 49.9 | Very low | 56.8 | Low | 125 Ų | 125 | 114 Ų | 114 | 62% | 0.616 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.8 | -34.2 | 168.4 | -76.3 | -171.5 | 119.2 | 0 | 0 | 111.6 | E139 S140 | E139-M143 HydrophobicContact CG-CG 4.41Å; E139-M143 VanDerWaalsContact O-CB 3.3Å; E139-M143 WeakPolarHBondContact O-CB 3.27Å; E139-M143 WeakPolarHBondContact O-CG 3.26Å; E139-M143 PolarHBondContact O-N 3.36Å; S140-M143 PolarHBondContact O-N 3.02Å |
| 144 | D | 50.7 | Low | 56.4 | Low | 147 Ų | 147 | 117.3 Ų | 117.3 | 79% | 0.786 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75.9 | -28 | 170.7 | -89.2 | -50.5 | 0 | 0 | 0 | 112.9 | S140 | S140-D144 PolarHBondContact O-N 2.77Å |
| 145 | A | 50.1 | Low | 55.4 | Low | 81 Ų | 81 | 125.9 Ų | 125.9 | 67% | 0.669 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -86.8 | -9.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q141 E142 | Q141-A145 VanDerWaalsContact O-CB 3.3Å; Q141-A145 WeakPolarHBondContact O-CB 3.32Å; Q141-A145 PolarHBondContact O-N 3.24Å; E142-A145 CarbonylContact O-C 3.54Å; E142-A145 PolarHBondContact O-N 3.3Å |
| 146 | R | 45.5 | Very low | 55 | Low | 169 Ų | 169 | 123.7 Ų | 123.7 | 64% | 0.638 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -71.8 | 123.2 | 166.3 | -94.8 | -179 | 173.4 | 165.3 | 2.4 | 107.5 | E142 K148 | E142-R146 WeakPolarHBondContact O-CB 3.37Å; E142-R146 WeakPolarHBondContact O-CG 3.16Å; E142-R146 PolarHBondContact O-N 3.22Å; R146-K148 PolarHBondContact O-N 2.89Å |
| 147 | P | 51.3 | Low | 54.5 | Low | 116 Ų | 116 | 124.6 Ų | 124.6 | 75% | 0.753 | 66% | 0.655 | S | S | * | * | trans | -55.1 | 119.1 | 175.8 | 21.9 | -30.7 | 0 | 0 | 0 | 107.6 | L149 | P147-L149 PolarHBondContact O-N 3.29Š| ||
| 148 | K | 45.5 | Very low | 54.5 | Low | 178 Ų | 178 | 128 Ų | 128 | 77% | 0.774 | 67% | 0.674 | S | S | * | * | trans | -38.1 | 102 | 176.7 | -175.7 | 172.1 | 177.8 | 175.6 | 0 | 108.4 | R146 D150 | R146-K148 PolarHBondContact O-N 2.89Å; K148-D150 PolarHBondContact O-N 3.4Å | ||
| 149 | L | 49.1 | Very low | 54.4 | Low | 141 Ų | 141 | 126.2 Ų | 126.2 | 74% | 0.738 | 67% | 0.67 | S | S | * | * | trans | -68.7 | 94.4 | 173 | -155.6 | 82.6 | 0 | 0 | 0 | 103.8 | P147 L151 | P147-L149 PolarHBondContact O-N 3.29Å; L149-L151 HydrophobicContact CD2-CD1 4.34Å; L149-L151 HydrophobicContact CD2-CD2 3.8Å; L149-L151 HydrophobicContact CD2-CG 4.06Å; L149-L151 HydrophobicContact CG-CD2 4.3Å; L149-L151 HydrophobicContact CG-CG 4.42Å; L149-L151 PolarHBondContact O-N 3.43Å | ||
| 150 | D | 51.4 | Low | 54.5 | Low | 126 Ų | 126 | 129.5 Ų | 129.5 | 67% | 0.674 | 68% | 0.682 | S | S | * | * | trans | -63 | 86.7 | 174.2 | -95.5 | -22.7 | 0 | 0 | 0 | 107.4 | K148 | K148-D150 PolarHBondContact O-N 3.4Š| ||
| 151 | L | 60.4 | Low | 54.5 | Low | 141 Ų | 141 | 133 Ų | 133 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | trans | -82.3 | 7.4 | 164.9 | -62.9 | 178.8 | 0 | 0 | 0 | 110.9 | L149 F153 | L149-L151 HydrophobicContact CD2-CD1 4.34Å; L149-L151 HydrophobicContact CD2-CD2 3.8Å; L149-L151 HydrophobicContact CD2-CG 4.06Å; L149-L151 HydrophobicContact CG-CD2 4.3Å; L149-L151 HydrophobicContact CG-CG 4.42Å; L149-L151 PolarHBondContact O-N 3.43Å; L151-F153 PolarHBondContact O-N 3.14Å | ||
| 152 | G | 56.8 | Low | 54.4 | Low | 53 Ų | 53 | 131.2 Ų | 131.2 | 55% | 0.546 | 70% | 0.699 | S | S | . | * | S | Bend | trans | -65.3 | 118.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | K154 | G152-K154 PolarHBondContact O-N 2.97Š|
| 153 | F | 53.2 | Low | 54.7 | Low | 117 Ų | 117 | 131.7 Ų | 131.7 | 51% | 0.513 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -46.9 | 128.5 | 170.9 | -85.7 | -99.6 | 0 | 0 | 0 | 109 | L151 E155 Q157 I159 | L151-F153 PolarHBondContact O-N 3.14Å; F153-E155 PolarHBondContact O-N 3.04Å; F153-Q157 HydrophobicContact CD1-CB 3.81Å; F153-Q157 HydrophobicContact CD1-CG 3.71Å; F153-Q157 VanDerWaalsContact CD1-O 3.31Å; F153-Q157 WeakPolarHBondContact CD1-O 3.11Å; F153-Q157 HydrophobicContact CE1-CG 3.96Å; F153-I159 HydrophobicContact CD1-CD1 4.49Å; F153-I159 HydrophobicContact CD1-CG1 4.05Å; F153-I159 HydrophobicContact CD2-CD1 3.91Å; F153-I159 HydrophobicContact CD2-CG1 4.36Å; F153-I159 HydrophobicContact CE1-CD1 4.01Å; F153-I159 HydrophobicContact CE1-CG1 3.47Å; F153-I159 VanDerWaalsContact CE1-CG1 3.47Å; F153-I159 HydrophobicContact CE2-CD1 3.35Å; F153-I159 HydrophobicContact CE2-CG1 3.82Å; F153-I159 HydrophobicContact CG-CD1 4.46Å; F153-I159 HydrophobicContact CG-CG1 4.47Å; F153-I159 HydrophobicContact CZ-CD1 3.42Å; F153-I159 VanDerWaalsContact CZ-CD1 3.42Å; F153-I159 HydrophobicContact CZ-CG1 3.35Å |
| 154 | K | 59.6 | Low | 54.4 | Low | 178 Ų | 178 | 129.1 Ų | 129.1 | 77% | 0.774 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 131.1 | 172.3 | -68.2 | -167.6 | 171.5 | -169.7 | 0 | 107.8 | G152 G156 Q157 | G152-K154 PolarHBondContact O-N 2.97Å; K154-G156 PolarHBondContact O-N 2.93Å; K154-Q157 PolarHBondContact O-N 3.17Å |
| 155 | E | 51.1 | Low | 54.4 | Low | 210 Ų | 210 | 128.1 Ų | 128.1 | 98% | 0.981 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.8 | 102.6 | -178 | -155.2 | 173.8 | -175.7 | 0 | 0 | 109 | F153 | F153-E155 PolarHBondContact O-N 3.04Š|
| 156 | G | 60 | Low | 54.4 | Low | 77 Ų | 77 | 131.6 Ų | 131.6 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 124.1 | -7.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | K154 T158 | K154-G156 PolarHBondContact O-N 2.93Å; G156-T158 PolarHBondContact O-N 2.98Å |
| 157 | Q | 58.8 | Low | 54.4 | Low | 126 Ų | 126 | 128.9 Ų | 128.9 | 59% | 0.589 | 71% | 0.712 | S | S | * | * | trans | -92.3 | 97.4 | 175.5 | -173.9 | 176.2 | 16.4 | 0 | 0 | 111.4 | F153 K154 I159 | F153-Q157 HydrophobicContact CD1-CB 3.81Å; F153-Q157 HydrophobicContact CD1-CG 3.71Å; F153-Q157 VanDerWaalsContact CD1-O 3.31Å; F153-Q157 WeakPolarHBondContact CD1-O 3.11Å; F153-Q157 HydrophobicContact CE1-CG 3.96Å; K154-Q157 PolarHBondContact O-N 3.17Å; Q157-I159 PolarHBondContact O-N 2.97Å | ||
| 158 | T | 62.8 | Low | 54.3 | Low | 129 Ų | 129 | 129.8 Ų | 129.8 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | -71.1 | 119 | 179.5 | -58.9 | 0 | 0 | 0 | 0 | 112 | G156 K160 | G156-T158 PolarHBondContact O-N 2.98Å; T158-K160 PolarHBondContact O-N 3.43Å | ||
| 159 | I | 60.4 | Low | 54.1 | Low | 97 Ų | 97 | 130.9 Ų | 130.9 | 50% | 0.497 | 72% | 0.72 | S | S | . | * | trans | -74.8 | 107 | 168.2 | -55.2 | 172.2 | 0 | 0 | 0 | 108.1 | F153 Q157 L161 | F153-I159 HydrophobicContact CD1-CD1 4.49Å; F153-I159 HydrophobicContact CD1-CG1 4.05Å; F153-I159 HydrophobicContact CD2-CD1 3.91Å; F153-I159 HydrophobicContact CD2-CG1 4.36Å; F153-I159 HydrophobicContact CE1-CD1 4.01Å; F153-I159 HydrophobicContact CE1-CG1 3.47Å; F153-I159 VanDerWaalsContact CE1-CG1 3.47Å; F153-I159 HydrophobicContact CE2-CD1 3.35Å; F153-I159 HydrophobicContact CE2-CG1 3.82Å; F153-I159 HydrophobicContact CG-CD1 4.46Å; F153-I159 HydrophobicContact CG-CG1 4.47Å; F153-I159 HydrophobicContact CZ-CD1 3.42Å; F153-I159 VanDerWaalsContact CZ-CD1 3.42Å; F153-I159 HydrophobicContact CZ-CG1 3.35Å; Q157-I159 PolarHBondContact O-N 2.97Å; I159-L161 HydrophobicContact CG2-CD1 4.14Å; I159-L161 HydrophobicContact CG2-CG 4.21Å; I159-L161 PolarHBondContact O-N 3.07Å | ||
| 160 | K | 61.4 | Low | 53.7 | Low | 183 Ų | 183 | 133.4 Ų | 133.4 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | trans | -73.5 | 91.9 | 173.2 | -173.5 | 178.2 | 179.2 | 177.9 | 0 | 109.6 | T158 S162 | T158-K160 PolarHBondContact O-N 3.43Å; K160-S162 PolarHBondContact O-N 3.22Å | ||
| 161 | L | 56.9 | Low | 53 | Low | 130 Ų | 130 | 131 Ų | 131 | 68% | 0.681 | 73% | 0.731 | S | S | * | * | trans | -77.7 | 102.4 | 168.5 | -74.7 | 122.8 | 0 | 0 | 0 | 109.8 | I159 I163 | I159-L161 HydrophobicContact CG2-CD1 4.14Å; I159-L161 HydrophobicContact CG2-CG 4.21Å; I159-L161 PolarHBondContact O-N 3.07Å; L161-I163 HydrophobicContact CB-CD1 3.94Å; L161-I163 HydrophobicContact CB-CG1 4.45Å; L161-I163 PolarHBondContact O-N 3.37Å; L161-I163 VanDerWaalsContact O-N 3.12Å | ||
| 162 | S | 54.9 | Low | 51.8 | Low | 106 Ų | 106 | 128.1 Ų | 128.1 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | -78 | 86.2 | 167.1 | -67.7 | 0 | 0 | 0 | 0 | 109.5 | K160 G164 | K160-S162 PolarHBondContact O-N 3.22Å; S162-G164 VanDerWaalsContact C-N 3.33Å; S162-G164 PolarHBondContact O-N 2.84Å | ||
| 163 | I | 58.7 | Low | 51.2 | Low | 136 Ų | 136 | 130.7 Ų | 130.7 | 70% | 0.697 | 75% | 0.751 | S | S | * | * | trans | -77.7 | 86.8 | 171 | -64.3 | 127.6 | 0 | 0 | 0 | 108.3 | L161 | L161-I163 HydrophobicContact CB-CD1 3.94Å; L161-I163 HydrophobicContact CB-CG1 4.45Å; L161-I163 PolarHBondContact O-N 3.37Å; L161-I163 VanDerWaalsContact O-N 3.12Å | ||
| 164 | G | 44.5 | Very low | 50.8 | Low | 70 Ų | 70 | 131.1 Ų | 131.1 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -86.4 | 123 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | S162 | S162-G164 VanDerWaalsContact C-N 3.33Å; S162-G164 PolarHBondContact O-N 2.84Å | ||
| 165 | N | 49.8 | Very low | 50.2 | Low | 127 Ų | 127 | 132.1 Ų | 132.1 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | trans | 78.4 | 69.2 | 161.3 | -154.5 | 13.2 | 0 | 0 | 0 | 118.7 | T167 | N165-T167 WeakPolarHBondContact OD1-CB 3.36Å; N165-T167 WeakPolarHBondContact OD1-CG2 2.88Å; N165-T167 PolarHBondContact OD1-N 3.37Å; N165-T167 PolarHBondContact OD1-OG1 3.18Å | ||
| 166 | I | 50.5 | Low | 50.5 | Low | 154 Ų | 154 | 126.7 Ų | 126.7 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -90.7 | 76.1 | 149.3 | 55.7 | 154.5 | 0 | 0 | 0 | 109.7 | T168 | I166-T168 PolarHBondContact O-N 3.23Š| ||
| 167 | T | 45.3 | Very low | 49.4 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | trans | -81.2 | 100.8 | 166.9 | 36.6 | 0 | 0 | 0 | 0 | 109.8 | N165 K169 | N165-T167 WeakPolarHBondContact OD1-CB 3.36Å; N165-T167 WeakPolarHBondContact OD1-CG2 2.88Å; N165-T167 PolarHBondContact OD1-N 3.37Å; N165-T167 PolarHBondContact OD1-OG1 3.18Å; T167-K169 PolarHBondContact O-N 3.19Å | ||
| 168 | T | 48.4 | Very low | 48.5 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | trans | -33.7 | 113.4 | 152 | -32.6 | 0 | 0 | 0 | 0 | 111.2 | I166 | I166-T168 PolarHBondContact O-N 3.23Š| ||
| 169 | K | 43 | Very low | 47.3 | Very low | 201 Ų | 201 | 133.4 Ų | 133.4 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -141.2 | 96 | 156.2 | -155 | 172.8 | -177.3 | 179.5 | 0 | 112.6 | T167 | T167-K169 PolarHBondContact O-N 3.19Š| ||
| 170 | K | 39.2 | Very low | 46.2 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -48.2 | 134.1 | 156.5 | -179.9 | 179.3 | -177 | 177.4 | 0 | 111.9 | ||||
| 171 | G | 37 | Very low | 45.1 | Very low | 77 Ų | 77 | 135.8 Ų | 135.8 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 79.6 | 119.7 | 139.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 172 | G | 36.6 | Very low | 44.1 | Very low | 80 Ų | 80 | 133.7 Ų | 133.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -175.9 | 97.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 173 | A | 43.8 | Very low | 43.4 | Very low | 107 Ų | 107 | 132 Ų | 132 | 88% | 0.884 | 80% | 0.804 | S | S | * | * | trans | -73.1 | 142.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 174 | S | 44 | Very low | 43 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -153.2 | 128.9 | 143.8 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 175 | K | 46.4 | Very low | 43.3 | Very low | 199 Ų | 199 | 135.7 Ų | 135.7 | 87% | 0.865 | 82% | 0.818 | S | S | * | * | trans | -89.8 | -175.2 | -171.5 | -135.4 | -179 | 155.4 | 136.7 | 0 | 110.5 | ||||
| 176 | P | 58.3 | Low | 43.7 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 62% | 0.623 | 82% | 0.82 | S | S | * | * | trans | -104.3 | 173.8 | -131.6 | 29.5 | -6.9 | 0 | 0 | 0 | 112.5 | ||||
| 177 | R | 36.9 | Very low | 43.8 | Very low | 244 Ų | 244 | 136.4 Ų | 136.4 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -168.3 | 139.6 | 138.8 | -110.5 | 170.7 | -83.2 | 161.2 | -9.6 | 113.8 | ||||
| 178 | T | 40.3 | Very low | 44.1 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 83% | 0.828 | 83% | 0.826 | S | S | * | * | trans | -69.9 | 143.6 | 174.3 | 45.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 179 | A | 37.4 | Very low | 44.1 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | trans | 175 | 112.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 180 | R | 36.1 | Very low | 44.3 | Very low | 254 Ų | 254 | 131.9 Ų | 131.9 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | 87.2 | 127.2 | 79.2 | -174 | 154.7 | 166.3 | 151.9 | -10.6 | 112.3 | |||||
| 181 | G | 38.5 | Very low | 44.7 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | 107 | 112.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 182 | G | 36.5 | Very low | 44.8 | Very low | 85 Ų | 85 | 129 Ų | 129 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | cis | 93.3 | 99.2 | 43.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 183 | G | 40.8 | Very low | 45.2 | Very low | 72 Ų | 72 | 129.1 Ų | 129.1 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | 108.1 | 127.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 184 | L | 50.2 | Low | 45.3 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | trans | 71.8 | 91 | 141.1 | -46.5 | 178.4 | 0 | 0 | 0 | 117.9 | L186 | L184-L186 HydrophobicContact CD2-CD1 4.06Š| ||
| 185 | S | 50.5 | Low | 45.4 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | trans | -104 | 66 | 148.8 | -51.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 186 | L | 57.1 | Low | 45 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -72 | 117.7 | 162.6 | -87.6 | 154.1 | 0 | 0 | 0 | 107.4 | L184 | L184-L186 HydrophobicContact CD2-CD1 4.06Š| ||
| 187 | L | 52.6 | Low | 44.4 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | -44.7 | 133.8 | 166.2 | -76.7 | 149.6 | 0 | 0 | 0 | 110.2 | P189 | L187-P189 WeakPolarHBondContact O-CD 3.19Š| ||
| 188 | P | 52 | Low | 44.9 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 123.9 | 172.8 | 26.2 | -31.4 | 0 | 0 | 0 | 109.7 | ||
| 189 | P | 48.8 | Very low | 45.3 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 145.3 | 170.8 | 28.6 | -32.1 | 0 | 0 | 0 | 110.4 | L187 | L187-P189 WeakPolarHBondContact O-CD 3.19Š|
| 190 | P | 47.5 | Very low | 45.7 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65 | 136.3 | 179 | 25.1 | -31.8 | 0 | 0 | 0 | 111.1 | G192 | P190-G192 PolarHBondContact O-N 2.69Š|
| 191 | P | 48.3 | Very low | 45.9 | Very low | 132 Ų | 132 | 120.5 Ų | 120.5 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 123.3 | -179.1 | 24.9 | -31.5 | 0 | 0 | 0 | 111.7 | ||
| 192 | G | 39 | Very low | 46 | Very low | 80 Ų | 80 | 122.2 Ų | 122.2 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 125 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P190 | P190-G192 PolarHBondContact O-N 2.69Š|
| 193 | G | 43.9 | Very low | 46.1 | Very low | 81 Ų | 81 | 123 Ų | 123 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -108.9 | 121.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 194 | K | 46.3 | Very low | 46.1 | Very low | 201 Ų | 201 | 126.5 Ų | 126.5 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -105.4 | 117.5 | 175.2 | -44.9 | -175.2 | -176.5 | -174.8 | 0 | 107.9 | ||||
| 195 | V | 46.8 | Very low | 45.4 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -149.6 | 143.9 | 155.2 | -166.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 196 | T | 37.7 | Very low | 44.8 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | trans | -104.7 | 162.5 | -160.4 | -48.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 197 | I | 44.7 | Very low | 44.1 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 92.6 | 144 | 151.6 | -45.5 | 173.9 | 0 | 0 | 0 | 117 | ||||
| 198 | P | 48.4 | Very low | 43.8 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | cis | -126 | 174.1 | -4.2 | 19.7 | 4.7 | 0 | 0 | 0 | 116.6 | ||||
| 199 | P | 48 | Very low | 43.5 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 158.5 | 176.2 | 37.5 | -33.1 | 0 | 0 | 0 | 113.6 | ||
| 200 | P | 45.8 | Very low | 43.3 | Very low | 132 Ų | 132 | 127 Ų | 127 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90 | 123.4 | 153.3 | 32.3 | -26.9 | 0 | 0 | 0 | 110.1 | ||
| 201 | S | 41 | Very low | 43.1 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 150.8 | 176.4 | -101 | 0 | 0 | 0 | 0 | 112.9 | ||
| 202 | S | 40 | Very low | 42.9 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 82.9 | 135.8 | 157.2 | 77.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 203 | S | 39.5 | Very low | 43.4 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | cis | 176.7 | 122 | -14.4 | 40.9 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 204 | V | 40.3 | Very low | 43.1 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | -176.7 | 123.6 | 137.9 | -99.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 205 | A | 35.2 | Very low | 42.7 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -76.8 | 129.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 206 | I | 38.3 | Very low | 42.5 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | -104.1 | 95.1 | 162.8 | -59.6 | 174.5 | 0 | 0 | 0 | 106 | ||||
| 207 | S | 42.3 | Very low | 42.3 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -80.2 | 117.3 | 166.2 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | H209 | S207-H209 PolarHBondContact O-N 3.12Å; S207-H209 VanDerWaalsContact O-N 3.12Å | ||
| 208 | N | 45.4 | Very low | 41.7 | Very low | 161 Ų | 161 | 128.1 Ų | 128.1 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -68.4 | 100.2 | 164.4 | -87.4 | -7.2 | 0 | 0 | 0 | 108.3 | ||||
| 209 | H | 45.3 | Very low | 41 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 70% | 0.704 | 78% | 0.782 | S | S | * | * | trans | -132.3 | 119.6 | 159 | -162.8 | -82.4 | 0 | 0 | 0 | 109.4 | S207 T211 | S207-H209 PolarHBondContact O-N 3.12Å; S207-H209 VanDerWaalsContact O-N 3.12Å; H209-T211 PolarHBondContact ND1-OG1 3.46Å; H209-T211 PolarHBondContact O-N 2.96Å | ||
| 210 | V | 44.5 | Very low | 40.2 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -71.8 | 115.9 | 172.4 | 165.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 211 | T | 43.4 | Very low | 39.5 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -151.1 | 139.1 | 164.6 | -33.5 | 0 | 0 | 0 | 0 | 108.5 | H209 | H209-T211 PolarHBondContact ND1-OG1 3.46Å; H209-T211 PolarHBondContact O-N 2.96Å | ||
| 212 | P | 44 | Very low | 39.1 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78 | 162.9 | -162.4 | 31.5 | -36.8 | 0 | 0 | 0 | 114.1 | ||
| 213 | P | 51 | Low | 38.9 | Very low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79 | 150.5 | -178.8 | 31.2 | -32.9 | 0 | 0 | 0 | 113.2 | ||
| 214 | P | 37.9 | Very low | 38.9 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 155.8 | -177.5 | 34.6 | -34.3 | 0 | 0 | 0 | 113.8 | ||
| 215 | I | 37.1 | Very low | 39.1 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 138.5 | 174.9 | -48.5 | 141.4 | 0 | 0 | 0 | 110.8 | ||
| 216 | P | 42.3 | Very low | 39.4 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -109.1 | 128.6 | 151 | 18 | -1.2 | 0 | 0 | 0 | 111.4 | ||||
| 217 | K | 33.9 | Very low | 39.9 | Very low | 203 Ų | 203 | 130.9 Ų | 130.9 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -82.7 | 130 | 166.2 | -67.6 | 178.8 | 178 | 176 | 0 | 109.4 | ||||
| 218 | S | 32.9 | Very low | 40.1 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -178.8 | 104.6 | 132.6 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 219 | N | 32.5 | Very low | 40 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | 38.9 | 106.6 | 130.4 | -116.1 | 52.4 | 0 | 0 | 0 | 120.9 | ||||
| 220 | H | 32.4 | Very low | 39.8 | Very low | 181 Ų | 181 | 132.3 Ų | 132.3 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | 179.2 | 125.9 | 105.5 | -101.2 | 73 | 0 | 0 | 0 | 112.1 | |||||
| 221 | G | 31.1 | Very low | 39.6 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 90.2 | 103.4 | 133.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 222 | G | 32.3 | Very low | 39.3 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | 116 | 107.4 | 134.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 223 | S | 35.6 | Very low | 39.2 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | 48.4 | 143.7 | 139.2 | 49.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 224 | D | 39.6 | Very low | 39.4 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | cis | 176.8 | 168.6 | -4.7 | -174 | -105.8 | 0 | 0 | 0 | 102.6 | ||||
| 225 | A | 43 | Very low | 39.6 | Very low | 77 Ų | 77 | 132.8 Ų | 132.8 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | 86.1 | 86.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 226 | D | 42.7 | Very low | 40.1 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | 43.8 | 113 | 109.2 | -59.5 | -62.5 | 0 | 0 | 0 | 119.9 | |||||
| 227 | I | 49.2 | Very low | 40 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 93% | 0.933 | 78% | 0.781 | S | S | * | * | -148.9 | 94.5 | 123.8 | -41.3 | -82 | 0 | 0 | 0 | 108.4 | |||||
| 228 | L | 45.9 | Very low | 40 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | -124.7 | 116.5 | 168.6 | -150.8 | -167 | 0 | 0 | 0 | 106.2 | D230 | L228-D230 HydrophobicContact CD2-CB 4.47Š| ||
| 229 | L | 43.4 | Very low | 40.6 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -178.1 | 109.8 | 165.3 | -124.9 | 69.4 | 0 | 0 | 0 | 104.6 | ||||
| 230 | D | 41.6 | Very low | 41 | Very low | 142 Ų | 142 | 127 Ų | 127 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | cis | 47.8 | 87.6 | 35.8 | -155.4 | 43.3 | 0 | 0 | 0 | 115 | L228 | L228-D230 HydrophobicContact CD2-CB 4.47Š| ||
| 231 | L | 39.5 | Very low | 41.3 | Very low | 155 Ų | 155 | 122.6 Ų | 122.6 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -158.7 | 101.5 | 151.3 | -154.7 | 60 | 0 | 0 | 0 | 112.8 | ||||
| 232 | D | 37.8 | Very low | 41.9 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | 79.7 | 135.7 | 127.5 | -148.7 | 41.1 | 0 | 0 | 0 | 122.5 | |||||
| 233 | S | 42.2 | Very low | 42.2 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -78.9 | -177.6 | -176 | -89.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 234 | P | 53.8 | Low | 42.7 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | cis | -145.1 | 175.9 | 27.9 | 37.9 | -13.7 | 0 | 0 | 0 | 119.1 | ||||
| 235 | A | 42.1 | Very low | 42.7 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -69 | 178.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 236 | P | 47.2 | Very low | 42.3 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -146.4 | 150.7 | 73.5 | 41.9 | -23.6 | 0 | 0 | 0 | 117.3 | |||||
| 237 | V | 40.9 | Very low | 42.1 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | trans | 46.4 | 140.8 | 138.9 | -57.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 238 | T | 35.2 | Very low | 41.6 | Very low | 116 Ų | 116 | 124 Ų | 124 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | cis | -176 | 162.4 | 16.5 | 10.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 239 | T | 43.8 | Very low | 41.4 | Very low | 136 Ų | 136 | 123.9 Ų | 123.9 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | 95.6 | 144.9 | 156 | 58.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 240 | P | 41.8 | Very low | 41.9 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -127.3 | 165 | -130.1 | 42.5 | -28.7 | 0 | 0 | 0 | 118.2 | ||||
| 241 | A | 39.5 | Very low | 42.4 | Very low | 88 Ų | 88 | 125 Ų | 125 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 63.9 | 134.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 242 | P | 41.9 | Very low | 43 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | -126.2 | 141.1 | 123.3 | 34.9 | -26.3 | 0 | 0 | 0 | 112.8 | |||||
| 243 | T | 40.1 | Very low | 43.6 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -86 | 165.2 | 173.5 | 36.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 244 | P | 45.6 | Very low | 43.9 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -109.8 | 158.7 | -156.1 | 40 | -30.7 | 0 | 0 | 0 | 115.9 | ||||
| 245 | V | 38.5 | Very low | 43.7 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | 49.8 | 133 | 150.2 | -58.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 246 | S | 35.9 | Very low | 44.1 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | -167 | 146.3 | 116.8 | -82.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 247 | A | 37.2 | Very low | 43.9 | Very low | 96 Ų | 96 | 133.3 Ų | 133.3 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -67 | 139.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 248 | S | 39.5 | Very low | 43.8 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -95.3 | 106.2 | 164.6 | -34.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 249 | N | 42.5 | Very low | 44 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | -126.3 | 81.7 | 170.7 | -153.1 | 64.7 | 0 | 0 | 0 | 107.3 | ||||
| 250 | D | 52.4 | Low | 44 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | -139.4 | 80 | 163.6 | -82.9 | -51.3 | 0 | 0 | 0 | 109.1 | ||||
| 251 | L | 52.8 | Low | 44 | Very low | 152 Ų | 152 | 131 Ų | 131 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | trans | -86.4 | 110.2 | 163.4 | -178.5 | 79.1 | 0 | 0 | 0 | 105.7 | ||||
| 252 | W | 53.2 | Low | 44.1 | Very low | 251 Ų | 251 | 133.5 Ų | 133.5 | 95% | 0.951 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 111.4 | 81.1 | 174.4 | -75.8 | 71.4 | 0 | 0 | 0 | 117.4 | ||
| 253 | G | 48.9 | Very low | 44.3 | Very low | 81 Ų | 81 | 133 Ų | 133 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | 168.5 | 61.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 254 | D | 50 | Low | 44.3 | Very low | 147 Ų | 147 | 134 Ų | 134 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | -151.5 | 80.9 | 156.2 | -164.1 | 14 | 0 | 0 | 0 | 112 | ||||
| 255 | F | 48 | Very low | 44.1 | Very low | 204 Ų | 204 | 138.2 Ų | 138.2 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -127.6 | 75.2 | 166.1 | -178.7 | -96.6 | 0 | 0 | 0 | 107 | ||||
| 256 | S | 50.5 | Low | 44.5 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 69% | 0.692 | 82% | 0.819 | S | S | * | * | trans | 172.9 | 86.5 | 152.9 | -79 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 257 | T | 43.2 | Very low | 44.9 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -155.7 | 101.8 | 146.2 | -60 | 0 | 0 | 0 | 0 | 109 | ||||
| 258 | A | 40 | Very low | 45.5 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -79.9 | 128 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 259 | S | 38.2 | Very low | 46.1 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | -137 | 102.8 | 166.2 | -72.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 260 | S | 45.2 | Very low | 46.5 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -53.6 | 131.7 | 171.9 | 47.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 261 | S | 40.1 | Very low | 46.2 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -154.9 | 107.6 | 143.2 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 262 | V | 43.2 | Very low | 45.6 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -118.6 | 127.4 | 165.8 | -171.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 263 | P | 45.4 | Very low | 45.5 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -97.6 | 107.3 | 160.3 | 28.4 | -18 | 0 | 0 | 0 | 110.6 | ||||
| 264 | N | 39.2 | Very low | 45.2 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | 46.1 | 106.4 | 128.2 | -157.5 | 36 | 0 | 0 | 0 | 119.9 | |||||
| 265 | Q | 41.3 | Very low | 44.7 | Very low | 198 Ų | 198 | 146.6 Ų | 146.6 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | -146 | 145.2 | 144.1 | -131.7 | 178.4 | 22.6 | 0 | 0 | 111.6 | ||||
| 266 | A | 47.3 | Very low | 44.5 | Very low | 82 Ų | 82 | 143.7 Ų | 143.7 | 68% | 0.678 | 83% | 0.825 | S | S | * | * | trans | -65.1 | 161.4 | -156.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 267 | P | 45.7 | Very low | 44.2 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -80.4 | 130.1 | -173.6 | 30.7 | -32.2 | 0 | 0 | 0 | 113.2 | ||||
| 268 | Q | 48.5 | Very low | 44.2 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 84% | 0.836 | 84% | 0.837 | S | S | * | * | trans | -105.7 | 133.6 | 165.4 | -73 | -67.6 | -30.4 | 0 | 0 | 109.4 | ||||
| 269 | P | 52.6 | Low | 44.5 | Very low | 117 Ų | 117 | 150.1 Ų | 150.1 | 76% | 0.76 | 84% | 0.837 | S | S | * | * | trans | -79 | 141.5 | -175.6 | 30.5 | -33 | 0 | 0 | 0 | 113.1 | ||||
| 270 | S | 51.7 | Low | 44.9 | Very low | 121 Ų | 121 | 152.9 Ų | 152.9 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | trans | -56 | 135.9 | 178.2 | -33.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 271 | N | 44.4 | Very low | 44.8 | Very low | 141 Ų | 141 | 154.9 Ų | 154.9 | 75% | 0.754 | 84% | 0.842 | S | S | * | * | trans | -150 | 91.2 | 161.2 | -141.8 | -2.7 | 0 | 0 | 0 | 111.2 | ||||
| 272 | W | 40 | Very low | 45.2 | Very low | 258 Ų | 258 | 157.7 Ų | 157.7 | 98% | 0.977 | 84% | 0.844 | S | S | * | * | trans | -117.4 | 109.5 | 162.1 | -85.9 | 85.7 | 0 | 0 | 0 | 107.4 | ||||
| 273 | V | 52.8 | Low | 45.3 | Very low | 123 Ų | 123 | 158.9 Ų | 158.9 | 75% | 0.745 | 84% | 0.843 | S | S | * | * | trans | -91.8 | 126.5 | 169.7 | 173.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 274 | Q | 41.5 | Very low | 45.3 | Very low | 167 Ų | 167 | 161.9 Ų | 161.9 | 78% | 0.78 | 85% | 0.847 | S | S | * | * | trans | -91 | 120.5 | 169.8 | 179.5 | 178.7 | -22.7 | 0 | 0 | 108.1 | ||||
| 275 | F | 39.1 | Very low | 45.9 | Very low | 276 Ų | 276 | 162.6 Ų | 162.6 | 100% | 1.211 | 85% | 0.849 | S | S | * | * | trans | -174 | 0 | 136.6 | -93.3 | -67.4 | 0 | 0 | 0 | 109.3 |
Retrieved 275 of 275 residues in 480.7 ms
(Link to these results)