| 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 | 40.5 | Very low | 43.5 | Very low | 234 Ų | 234 | 162.3 Ų | 162.3 | 100% | 1.153 | 83% | 0.833 | S | S | * | * | 0 | 106.9 | 0 | -78.8 | 158.5 | 75 | 0 | 0 | 108.1 | |||||
| 2 | K | 41.1 | Very low | 43.6 | Very low | 196 Ų | 196 | 155.8 Ų | 155.8 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -87.8 | 112.9 | 176.3 | -75 | -179.7 | 175.7 | 179.7 | 0 | 107.5 | H4 | K2-H4 PolarHBondContact O-N 3.11Š| ||
| 3 | L | 42.6 | Very low | 43.6 | Very low | 141 Ų | 141 | 151.9 Ų | 151.9 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | -78.3 | 108.1 | -175.6 | -144.6 | 79.8 | 0 | 0 | 0 | 108.6 | F5 | L3-F5 HydrophobicContact CD2-CD2 4.28Å; L3-F5 HydrophobicContact CD2-CE2 3.94Å; L3-F5 PolarHBondContact O-N 3.43Å | ||
| 4 | H | 43.3 | Very low | 43.8 | Very low | 180 Ų | 180 | 156.4 Ų | 156.4 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | trans | -77.7 | 99.6 | 175.1 | -71.6 | -83.1 | 0 | 0 | 0 | 109.1 | K2 A6 | K2-H4 PolarHBondContact O-N 3.11Å; H4-A6 PolarHBondContact O-N 2.95Å | ||
| 5 | F | 44.6 | Very low | 43.8 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 74% | 0.737 | 81% | 0.805 | S | S | * | * | trans | -75.1 | 102.3 | 166.7 | -103.8 | -93 | 0 | 0 | 0 | 108.5 | L3 W7 | L3-F5 HydrophobicContact CD2-CD2 4.28Å; L3-F5 HydrophobicContact CD2-CE2 3.94Å; L3-F5 PolarHBondContact O-N 3.43Å; F5-W7 PolarHBondContact O-N 2.98Å | ||
| 6 | A | 44.9 | Very low | 43.6 | Very low | 88 Ų | 88 | 148.3 Ų | 148.3 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -74.4 | 116 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | H4 L8 | H4-A6 PolarHBondContact O-N 2.95Å; A6-L8 PolarHBondContact O-N 3.45Å | ||
| 7 | W | 44.1 | Very low | 43.7 | Very low | 236 Ų | 236 | 145.9 Ų | 145.9 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | trans | -76.7 | 101.5 | 176.6 | -68.9 | 82.2 | 0 | 0 | 0 | 109.4 | F5 V9 | F5-W7 PolarHBondContact O-N 2.98Å; W7-V9 PolarHBondContact O-N 2.78Å | ||
| 8 | L | 42.3 | Very low | 43.7 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -75.8 | 99.5 | 168.5 | -80.6 | 161.6 | 0 | 0 | 0 | 108.7 | A6 A10 | A6-L8 PolarHBondContact O-N 3.45Å; L8-A10 PolarHBondContact O-N 2.64Å | ||
| 9 | V | 44.8 | Very low | 43.9 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | trans | -73.6 | 101.8 | 171.3 | 177 | 0 | 0 | 0 | 0 | 108 | W7 L11 | W7-V9 PolarHBondContact O-N 2.78Å; V9-L11 PolarHBondContact O-N 3.46Å; V9-L11 VanDerWaalsContact O-N 3.08Å | ||
| 10 | A | 46.3 | Very low | 44.6 | Very low | 95 Ų | 95 | 141.7 Ų | 141.7 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -71.3 | 97.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | L8 S12 | L8-A10 PolarHBondContact O-N 2.64Å; A10-S12 VanDerWaalsContact C-N 3.33Å; A10-S12 PolarHBondContact O-N 3.39Å | ||
| 11 | L | 43.8 | Very low | 45.7 | Very low | 152 Ų | 152 | 140 Ų | 140 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | -72.7 | 88.2 | 174.1 | -152.1 | 83.4 | 0 | 0 | 0 | 108.4 | V9 C13 | V9-L11 PolarHBondContact O-N 3.46Å; V9-L11 VanDerWaalsContact O-N 3.08Å; L11-C13 PolarHBondContact O-N 2.99Å | ||
| 12 | S | 45.4 | Very low | 48 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | trans | -65 | 99.5 | 173.6 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | A10 Y14 | A10-S12 VanDerWaalsContact C-N 3.33Å; A10-S12 PolarHBondContact O-N 3.39Å; S12-Y14 VanDerWaalsContact C-N 3.32Å; S12-Y14 WeakPolarHBondContact O-CD2 3.4Å; S12-Y14 PolarHBondContact O-N 2.98Å | ||
| 13 | C | 43.8 | Very low | 50.6 | Low | 105 Ų | 105 | 121.8 Ų | 121.8 | 71% | 0.709 | 67% | 0.674 | S | S | * | * | trans | -61.4 | 96.7 | 166.1 | -85.7 | 0 | 0 | 0 | 0 | 108.1 | L11 T15 | L11-C13 PolarHBondContact O-N 2.99Å; C13-T15 PolarHBondContact O-N 3.34Å | ||
| 14 | Y | 45.6 | Very low | 53.2 | Low | 215 Ų | 215 | 115 Ų | 115 | 84% | 0.843 | 64% | 0.639 | S | S | * | * | trans | -65.7 | 91.1 | 159.8 | -76.3 | -91 | 0 | 0 | 0 | 106.7 | S12 G16 | S12-Y14 VanDerWaalsContact C-N 3.32Å; S12-Y14 WeakPolarHBondContact O-CD2 3.4Å; S12-Y14 PolarHBondContact O-N 2.98Å; Y14-G16 PolarHBondContact O-N 3.21Å | ||
| 15 | T | 44.5 | Very low | 55.6 | Low | 124 Ų | 124 | 107.4 Ų | 107.4 | 76% | 0.761 | 60% | 0.603 | S | S | * | * | trans | -66.1 | 80.9 | 157.8 | 42.4 | 0 | 0 | 0 | 0 | 106.2 | C13 T17 | C13-T15 PolarHBondContact O-N 3.34Å; T15-T17 PolarHBondContact O-N 3.07Å | ||
| 16 | G | 40.8 | Very low | 58 | Low | 59 Ų | 59 | 100 Ų | 100 | 61% | 0.608 | 57% | 0.571 | S | S | * | * | trans | -55.1 | 109.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 105.6 | Y14 V18 | Y14-G16 PolarHBondContact O-N 3.21Å; G16-V18 PolarHBondContact O-N 3.2Å | ||
| 17 | T | 44.6 | Very low | 60.3 | Low | 107 Ų | 107 | 100.8 Ų | 100.8 | 66% | 0.656 | 56% | 0.56 | S | S | * | * | trans | -62.2 | 96 | 166.3 | 41.7 | 0 | 0 | 0 | 0 | 104.9 | T15 H19 | T15-T17 PolarHBondContact O-N 3.07Å; T17-H19 PolarHBondContact O-N 3.22Å; T17-H19 PolarHBondContact O-ND1 3.31Å; T17-H19 VanDerWaalsContact O-ND1 3.09Å; T17-H19 PolarHBondContact OG1-CE1 3.36Å | ||
| 18 | V | 43.1 | Very low | 62.6 | Low | 138 Ų | 138 | 92.5 Ų | 92.5 | 84% | 0.836 | 54% | 0.541 | S | S | * | . | trans | -60.7 | 93.4 | 167.1 | 178.3 | 0 | 0 | 0 | 0 | 104.1 | G16 A20 | G16-V18 PolarHBondContact O-N 3.2Å; V18-A20 PolarHBondContact O-N 2.95Å | ||
| 19 | H | 48.8 | Very low | 64.9 | Low | 142 Ų | 142 | 88.1 Ų | 88.1 | 66% | 0.657 | 52% | 0.515 | S | S | * | . | trans | -62.4 | 109.2 | 170 | -80.8 | 65.2 | 0 | 0 | 0 | 104.4 | T17 Q21 | T17-H19 PolarHBondContact O-N 3.22Å; T17-H19 PolarHBondContact O-ND1 3.31Å; T17-H19 VanDerWaalsContact O-ND1 3.09Å; T17-H19 PolarHBondContact OG1-CE1 3.36Å; H19-Q21 PolarHBondContact O-N 2.74Å | ||
| 20 | A | 56.4 | Low | 67.2 | Low | 73 Ų | 73 | 86.8 Ų | 86.8 | 60% | 0.603 | 50% | 0.504 | S | S | * | . | trans | -50.6 | 118.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | V18 | V18-A20 PolarHBondContact O-N 2.95Š| ||
| 21 | Q | 69 | Low | 69.5 | Low | 106 Ų | 106 | 85.1 Ų | 85.1 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | trans | -66.4 | 140.7 | -175.4 | -63.2 | -168.6 | -12.4 | 0 | 0 | 109.2 | H19 K23 | H19-Q21 PolarHBondContact O-N 2.74Å; Q21-K23 VanDerWaalsContact C-N 3.27Å; Q21-K23 HydrophobicContact CB-CD 4.03Å; Q21-K23 HydrophobicContact CB-CG 3.93Å; Q21-K23 PolarHBondContact O-N 3.35Å | ||
| 22 | V | 89 | Confident | 72 | Confident | 14 Ų | 14 | 77.9 Ų | 77.9 | 9% | 0.085 | 44% | 0.444 | C | S | . | . | trans | -84 | 76 | -178.4 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | Y86 K115 G119 W120 | V22-Y86 HydrophobicContact CG1-CE1 3.57Å; V22-Y86 VanDerWaalsContact CG1-OH 3.25Å; V22-Y86 WeakPolarHBondContact CG1-OH 2.84Å; V22-Y86 HydrophobicContact CG2-CE1 4.35Å; V22-Y86 WeakPolarHBondContact CG2-OH 3.47Å; V22-K115 HydrophobicContact CG2-CB 4.31Å; V22-K115 HydrophobicContact CG2-CD 3.81Å; V22-K115 HydrophobicContact CG2-CG 3.83Å; V22-G119 CarbonylContact O-C 3.51Å; V22-W120 HydrophobicContact CG1-CG 4.45Å | ||
| 23 | K | 94.8 | Very high | 74.4 | Confident | 34 Ų | 34 | 76.5 Ų | 76.5 | 15% | 0.148 | 43% | 0.43 | C | S | . | . | trans | -133.7 | 156.1 | -172.9 | -61.7 | -170.8 | 167.6 | 176.6 | 0 | 111.6 | Q21 K25 D31 L75 T151 | Q21-K23 VanDerWaalsContact C-N 3.27Å; Q21-K23 HydrophobicContact CB-CD 4.03Å; Q21-K23 HydrophobicContact CB-CG 3.93Å; Q21-K23 PolarHBondContact O-N 3.35Å; K23-K25 VanDerWaalsContact O-CE 3.29Å; K23-K25 WeakPolarHBondContact O-CE 3.47Å; K23-D31 HydrophobicContact CB-CB 4.14Å; K23-D31 HydrophobicContact CD-CB 3.84Å; K23-L75 WeakPolarHBondContact O-CD1 3.22Å; K23-T151 HydrophobicContact CB-CG2 3.98Å; K23-T151 HydrophobicContact CD-CG2 4.12Å; K23-T151 HydrophobicContact CG-CG2 3.65Å | ||
| 24 | C | 96.6 | Very high | 77 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 156.2 | 168.5 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | D31 A32 C149 I150 T151 | C24-D31 WeakPolarHBondContact O-CA 3.19Å; C24-A32 WeakPolarHBondContact CB-O 3.49Å; C24-A32 PolarHBondContact O-N 3.11Å; C24-C149 WeakPolarHBondContact CA-SG 3.49Å; C24-C149 HydrophobicContact CB-CB 3.68Å; C24-C149 WeakPolarHBondContact CB-SG 3.39Å; C24-C149 VanDerWaalsContact SG-CA 3.57Å; C24-C149 WeakPolarHBondContact SG-CB 3.35Å; C24-C149 PolarHBondContact SG-O 3.37Å; C24-C149 CovalentContact SG-SG 2.03Å; C24-C149 PolarHBondContact SG-SG 2.97Å; C24-I150 PolarHBondContact SG-N 2.83Å; C24-T151 WeakPolarHBondContact CB-OG1 3.21Å; C24-T151 PolarHBondContact N-OG1 2.91Å; C24-T151 PolarHBondContact SG-N 2.8Å; C24-T151 PolarHBondContact SG-OG1 3.41Å; C24-T151 VanDerWaalsContact SG-OG1 3.42Å |
| 25 | K | 95.2 | Very high | 79.5 | Confident | 20 Ų | 20 | 61.7 Ų | 61.7 | 9% | 0.087 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 139.3 | -172.6 | -57.7 | -60.7 | 176.9 | -180 | 0 | 111.2 | K23 N30 D31 S35 P71 E74 L75 | K23-K25 VanDerWaalsContact O-CE 3.29Å; K23-K25 WeakPolarHBondContact O-CE 3.47Å; K25-N30 CarbonylContact C-O 3.53Å; K25-N30 VanDerWaalsContact CA-O 3.3Å; K25-N30 WeakPolarHBondContact CA-O 3Å; K25-D31 IonicContact NZ-OD1 2.72Å; K25-D31 PolarHBondContact NZ-OD1 3.49Å; K25-S35 WeakPolarHBondContact O-CB 3.4Å; K25-S35 PolarHBondContact O-OG 2.82Å; K25-P71 HydrophobicContact CB-CB 3.72Å; K25-E74 HydrophobicContact CD-CG 4.42Å; K25-E74 HydrophobicContact CG-CB 4.42Å; K25-E74 HydrophobicContact CG-CG 4.42Å; K25-L75 HydrophobicContact CG-CB 4.29Å |
| 26 | D | 94.8 | Very high | 81.9 | Confident | 13 Ų | 13 | 56.1 Ų | 56.1 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | trans | -82.3 | 179.1 | 168 | 73.5 | 11 | 0 | 0 | 0 | 112 | A28 K29 N30 A32 F52 P71 | D26-A28 PolarHBondContact O-N 2.03Å; D26-A28 VanDerWaalsContact O-N 3.16Å; D26-A28 VanDerWaalsContact OD1-C 3.27Å; D26-A28 WeakPolarHBondContact OD1-CA 3Å; D26-A28 PolarHBondContact OD1-N 2.79Å; D26-K29 WeakPolarHBondContact O-CA 3.44Å; D26-K29 PolarHBondContact O-N 3.02Å; D26-K29 PolarHBondContact OD1-N 3.46Å; D26-N30 PolarHBondContact N-O 3.24Å; D26-N30 PolarHBondContact OD1-N 3.3Å; D26-N30 PolarHBondContact OD1-ND2 2.81Å; D26-N30 WeakPolarHBondContact OD2-CB 3.48Å; D26-N30 PolarHBondContact OD2-ND2 2.77Å; D26-N30 VanDerWaalsContact OD2-ND2 3.12Å; D26-A32 HydrophobicContact CB-CB 4.45Å; D26-F52 HydrophobicContact CB-CB 4.21Å; D26-F52 HydrophobicContact CB-CD1 3.9Å; D26-F52 HydrophobicContact CB-CD2 4.19Å; D26-F52 HydrophobicContact CB-CE1 4.3Å; D26-F52 HydrophobicContact CB-CG 3.83Å; D26-P71 WeakPolarHBondContact O-CB 3.41Å | ||
| 27 | E | 92.1 | Very high | 84.5 | Confident | 104 Ų | 104 | 53.4 Ų | 53.4 | 49% | 0.486 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29 | 179.2 | 64.1 | -179.9 | -177.6 | 0 | 0 | 114.1 | K29 F52 T59 V63 | E27-K29 VanDerWaalsContact C-N 3.31Å; E27-F52 HydrophobicContact CB-CE2 3.75Å; E27-F52 HydrophobicContact CB-CZ 3.82Å; E27-F52 HydrophobicContact CG-CE2 3.98Å; E27-T59 WeakPolarHBondContact OE2-CG2 3.42Å; E27-V63 HydrophobicContact CB-CG1 4.29Å; E27-V63 HydrophobicContact CB-CG2 3.85Å |
| 28 | A | 92 | Very high | 86.8 | Confident | 61 Ų | 61 | 48.3 Ų | 48.3 | 50% | 0.504 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 6.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D26 N30 | D26-A28 PolarHBondContact O-N 2.03Å; D26-A28 VanDerWaalsContact O-N 3.16Å; D26-A28 VanDerWaalsContact OD1-C 3.27Å; D26-A28 WeakPolarHBondContact OD1-CA 3Å; D26-A28 PolarHBondContact OD1-N 2.79Å; A28-N30 WeakPolarHBondContact CB-ND2 3.38Å; A28-N30 PolarHBondContact O-N 2.81Å |
| 29 | K | 91.8 | Very high | 89.2 | Confident | 82 Ų | 82 | 41.8 Ų | 41.8 | 36% | 0.357 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 65.8 | 19.5 | -178.4 | -57.4 | 175.7 | -75 | -168.5 | 0 | 114.6 | D26 E27 T69 E74 | D26-K29 WeakPolarHBondContact O-CA 3.44Å; D26-K29 PolarHBondContact O-N 3.02Å; D26-K29 PolarHBondContact OD1-N 3.46Å; E27-K29 VanDerWaalsContact C-N 3.31Å; K29-T69 WeakPolarHBondContact CD-O 3.17Å; K29-T69 PolarHBondContact NZ-O 2.67Å; K29-T69 VanDerWaalsContact NZ-O 3.11Å; K29-E74 HydrophobicContact CB-CG 4.3Å; K29-E74 HydrophobicContact CD-CB 3.99Å; K29-E74 HydrophobicContact CD-CG 4.25Å; K29-E74 HydrophobicContact CG-CB 4.26Å; K29-E74 HydrophobicContact CG-CG 4.5Å |
| 30 | N | 93.6 | Very high | 91 | Very high | 93 Ų | 93 | 35.3 Ų | 35.3 | 50% | 0.497 | 19% | 0.194 | S | C | . | . | trans | -74.5 | 157.6 | 167.9 | -48.3 | -63.8 | 0 | 0 | 0 | 109.8 | K25 D26 A28 A32 | K25-N30 CarbonylContact C-O 3.53Å; K25-N30 VanDerWaalsContact CA-O 3.3Å; K25-N30 WeakPolarHBondContact CA-O 3Å; D26-N30 PolarHBondContact N-O 3.24Å; D26-N30 PolarHBondContact OD1-N 3.3Å; D26-N30 PolarHBondContact OD1-ND2 2.81Å; D26-N30 WeakPolarHBondContact OD2-CB 3.48Å; D26-N30 PolarHBondContact OD2-ND2 2.77Å; D26-N30 VanDerWaalsContact OD2-ND2 3.12Å; A28-N30 WeakPolarHBondContact CB-ND2 3.38Å; A28-N30 PolarHBondContact O-N 2.81Å; N30-A32 PolarHBondContact O-N 2.86Å | ||
| 31 | D | 94.3 | Very high | 92.4 | Very high | 60 Ų | 60 | 32.4 Ų | 32.4 | 32% | 0.321 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 131.5 | 174.7 | -68 | -21.9 | 0 | 0 | 0 | 110.8 | K23 C24 K25 | K23-D31 HydrophobicContact CB-CB 4.14Å; K23-D31 HydrophobicContact CD-CB 3.84Å; C24-D31 WeakPolarHBondContact O-CA 3.19Å; K25-D31 IonicContact NZ-OD1 2.72Å; K25-D31 PolarHBondContact NZ-OD1 3.49Å |
| 32 | A | 95.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 150.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | C24 D26 N30 W34 T151 | C24-A32 WeakPolarHBondContact CB-O 3.49Å; C24-A32 PolarHBondContact O-N 3.11Å; D26-A32 HydrophobicContact CB-CB 4.45Å; N30-A32 PolarHBondContact O-N 2.86Å; A32-W34 VanDerWaalsContact C-N 3.34Å; A32-T151 PolarHBondContact O-OG1 2.89Å |
| 33 | D | 96.8 | Very high | 92 | Very high | 56 Ų | 56 | 31.6 Ų | 31.6 | 30% | 0.299 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -78.3 | -29.3 | 177.2 | -50.8 | -48 | 0 | 0 | 0 | 110.9 | S53 T151 N212 I213 | D33-S53 PolarHBondContact N-OG 2.75Å; D33-S53 PolarHBondContact OD2-OG 2.76Å; D33-T151 WeakPolarHBondContact O-CB 3.33Å; D33-T151 PolarHBondContact O-N 3.43Å; D33-N212 VanDerWaalsContact C-ND2 3.35Å; D33-N212 VanDerWaalsContact CB-ND2 3.28Å; D33-N212 WeakPolarHBondContact CB-ND2 3.24Å; D33-N212 PolarHBondContact O-ND2 2.78Å; D33-I213 HydrophobicContact CB-CG2 4.02Å; D33-I213 WeakPolarHBondContact OD1-CG2 3.27Å |
| 34 | W | 97.2 | Very high | 90.9 | Very high | 9 Ų | 9 | 37 Ų | 37 | 3% | 0.034 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 154.6 | 167 | 55.5 | -103.3 | 0 | 0 | 0 | 110.3 | A32 V36 A51 F52 S53 V56 C149 I150 L324 D326 L329 | A32-W34 VanDerWaalsContact C-N 3.34Å; W34-V36 HydrophobicContact CE3-CG2 4.1Å; W34-V36 HydrophobicContact CZ3-CG2 4.16Å; W34-A51 WeakPolarHBondContact CZ3-O 3.49Å; W34-F52 VanDerWaalsContact CH2-C 3.44Å; W34-F52 WeakPolarHBondContact CH2-O 3.3Å; W34-F52 VanDerWaalsContact CZ3-C 3.42Å; W34-S53 PolarHBondContact O-N 2.68Å; W34-V56 HydrophobicContact CH2-CB 4.26Å; W34-V56 HydrophobicContact CH2-CG1 3.88Å; W34-V56 HydrophobicContact CH2-CG2 3.76Å; W34-V56 HydrophobicContact CZ2-CG1 4.29Å; W34-V56 HydrophobicContact CZ2-CG2 3.69Å; W34-C149 CarbonylContact C-O 3.42Å; W34-C149 WeakPolarHBondContact CA-O 3.33Å; W34-C149 WeakPolarHBondContact CB-O 3.29Å; W34-I150 HydrophobicContact CB-CD1 3.63Å; W34-L324 HydrophobicContact CD2-CD2 3.72Å; W34-L324 HydrophobicContact CE3-CD2 4.09Å; W34-L324 HydrophobicContact CG-CD2 3.92Å; W34-L324 HydrophobicContact CZ2-CD2 4.43Å; W34-D326 WeakPolarHBondContact CZ2-OD2 3.46Å; W34-L329 HydrophobicContact CH2-CD1 4.15Å; W34-L329 HydrophobicContact CH2-CD2 4.29Å; W34-L329 HydrophobicContact CZ3-CD1 4.18Å; W34-L329 HydrophobicContact CZ3-CD2 4.26Å |
| 35 | S | 97.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 135.2 | 177.5 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | K25 V148 C149 | K25-S35 WeakPolarHBondContact O-CB 3.4Å; K25-S35 PolarHBondContact O-OG 2.82Å; S35-V148 CarbonylContact O-C 3.48Å; S35-V148 VanDerWaalsContact O-CA 3.3Å; S35-V148 WeakPolarHBondContact O-CA 3.17Å; S35-C149 PolarHBondContact N-O 3.13Å; S35-C149 PolarHBondContact O-N 3.24Å |
| 36 | V | 96.3 | Very high | 89.6 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.2 | 175.5 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | W34 G50 A51 W58 L146 V148 L329 W333 | W34-V36 HydrophobicContact CE3-CG2 4.1Å; W34-V36 HydrophobicContact CZ3-CG2 4.16Å; V36-G50 CarbonylContact O-C 3.47Å; V36-G50 VanDerWaalsContact O-CA 3.29Å; V36-G50 WeakPolarHBondContact O-CA 3.37Å; V36-A51 HydrophobicContact CB-CB 4.42Å; V36-A51 PolarHBondContact N-O 3.33Å; V36-A51 PolarHBondContact O-N 3.46Å; V36-W58 HydrophobicContact CG1-CH2 4.11Å; V36-W58 HydrophobicContact CG1-CZ3 4.27Å; V36-L146 HydrophobicContact CG1-CD2 4.01Å; V36-V148 HydrophobicContact CB-CG2 4.12Å; V36-V148 HydrophobicContact CG1-CG2 3.83Å; V36-V148 HydrophobicContact CG2-CB 4.48Å; V36-V148 HydrophobicContact CG2-CG1 3.97Å; V36-V148 HydrophobicContact CG2-CG2 3.83Å; V36-L329 HydrophobicContact CG2-CD2 4.14Å; V36-W333 HydrophobicContact CG1-CH2 3.93Å; V36-W333 HydrophobicContact CG1-CZ2 4.22Å |
| 37 | F | 95 | Very high | 89.4 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.2 | 175.7 | -53.9 | -83.2 | 0 | 0 | 0 | 108.6 | A48 Y49 F52 V63 L65 P71 L72 L146 I147 | F37-A48 HydrophobicContact CB-CB 3.89Å; F37-Y49 WeakPolarHBondContact CA-O 3.48Å; F37-F52 HydrophobicContact CD1-CE1 4.44Å; F37-F52 AromaticContact CE1-CE1 3.6Å; F37-F52 HydrophobicContact CE1-CE1 3.6Å; F37-F52 AromaticContact CE1-CZ 3.94Å; F37-F52 HydrophobicContact CE1-CZ 3.94Å; F37-F52 AromaticContact CZ-CE1 3.8Å; F37-F52 HydrophobicContact CZ-CE1 3.8Å; F37-V63 HydrophobicContact CD1-CG1 4.45Å; F37-V63 HydrophobicContact CE1-CG1 4.15Å; F37-L65 HydrophobicContact CD1-CD2 3.97Å; F37-L65 HydrophobicContact CE1-CD2 4.43Å; F37-L65 HydrophobicContact CG-CD2 4.33Å; F37-P71 HydrophobicContact CE1-CB 4.26Å; F37-P71 HydrophobicContact CE1-CG 3.58Å; F37-P71 HydrophobicContact CZ-CB 3.96Å; F37-P71 HydrophobicContact CZ-CG 3.78Å; F37-L72 HydrophobicContact CD2-CD2 4.07Å; F37-L72 HydrophobicContact CD2-CG 4.42Å; F37-L72 HydrophobicContact CE2-CD2 3.74Å; F37-L72 HydrophobicContact CE2-CG 4.23Å; F37-L72 HydrophobicContact CZ-CD2 4.44Å; F37-L146 WeakPolarHBondContact O-CA 3.4Å; F37-I147 HydrophobicContact CB-CB 4.3Å; F37-I147 HydrophobicContact CD2-CB 4.44Å; F37-I147 HydrophobicContact CD2-CG2 4.43Å; F37-I147 PolarHBondContact N-O 3.16Å; F37-I147 PolarHBondContact O-N 3.46Å |
| 38 | Y | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 101.6 | 168 | -165.7 | -71.4 | 0 | 0 | 0 | 108.8 | I40 A48 Y49 W58 A144 G145 L146 V278 V283 D288 | Y38-I40 HydrophobicContact CD1-CD1 4.01Å; Y38-I40 PolarHBondContact O-N 2.93Å; Y38-A48 CarbonylContact O-C 3.57Å; Y38-A48 WeakPolarHBondContact O-CA 3.26Å; Y38-A48 WeakPolarHBondContact O-CB 3.27Å; Y38-Y49 PolarHBondContact N-O 2.89Å; Y38-Y49 PolarHBondContact O-N 3.13Å; Y38-W58 HydrophobicContact CD2-CH2 4.38Å; Y38-W58 HydrophobicContact CG-CH2 4.38Å; Y38-A144 HydrophobicContact CE1-CB 4.37Å; Y38-G145 CarbonylContact C-O 3.53Å; Y38-G145 WeakPolarHBondContact CA-O 3.47Å; Y38-L146 HydrophobicContact CD2-CD2 3.59Å; Y38-L146 HydrophobicContact CD2-CG 3.99Å; Y38-L146 HydrophobicContact CE2-CD2 4.42Å; Y38-L146 HydrophobicContact CE2-CG 4.37Å; Y38-L146 HydrophobicContact CG-CD2 4.2Å; Y38-V278 HydrophobicContact CD1-CB 4.4Å; Y38-V278 HydrophobicContact CD1-CG1 4.1Å; Y38-V278 HydrophobicContact CD1-CG2 4.29Å; Y38-V278 HydrophobicContact CD2-CG1 4.06Å; Y38-V278 HydrophobicContact CD2-CG2 3.95Å; Y38-V278 HydrophobicContact CE1-CB 4.47Å; Y38-V278 HydrophobicContact CE1-CG2 4.02Å; Y38-V278 HydrophobicContact CE2-CG2 3.65Å; Y38-V278 HydrophobicContact CG-CB 4.47Å; Y38-V278 HydrophobicContact CG-CG1 3.81Å; Y38-V278 HydrophobicContact CG-CG2 4.28Å; Y38-V283 HydrophobicContact CE1-CG2 4Å; Y38-D288 PolarHBondContact OH-OD2 3.32Å; Y38-D288 VanDerWaalsContact OH-OD2 3.14Å |
| 39 | V | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 131.9 | 179.8 | -169.7 | 0 | 0 | 0 | 0 | 109.1 | L65 D143 A144 G145 I147 | V39-L65 HydrophobicContact CG1-CD1 4.45Å; V39-L65 HydrophobicContact CG2-CD1 3.79Å; V39-D143 VanDerWaalsContact CG1-O 3.28Å; V39-D143 WeakPolarHBondContact CG1-O 3.4Å; V39-A144 VanDerWaalsContact O-CA 3.26Å; V39-A144 WeakPolarHBondContact O-CA 3.17Å; V39-G145 PolarHBondContact N-O 2.78Å; V39-G145 PolarHBondContact O-N 3.4Å; V39-I147 HydrophobicContact CG2-CD1 3.89Å; V39-I147 HydrophobicContact CG2-CG1 4.21Å |
| 40 | I | 87.6 | Confident | 89.7 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -92.7 | 130.4 | -176.3 | -58.9 | -60 | 0 | 0 | 0 | 109.8 | Y38 Q47 Y49 L62 K281 | Y38-I40 HydrophobicContact CD1-CD1 4.01Å; Y38-I40 PolarHBondContact O-N 2.93Å; I40-Q47 PolarHBondContact N-O 2.66Å; I40-Y49 HydrophobicContact CD1-CD2 3.51Å; I40-Y49 HydrophobicContact CD1-CE2 3.73Å; I40-Y49 HydrophobicContact CG1-CD2 4.28Å; I40-Y49 HydrophobicContact CG1-CE2 4.44Å; I40-L62 HydrophobicContact CG1-CD2 3.87Å; I40-K281 HydrophobicContact CD1-CB 4.27Å; I40-K281 HydrophobicContact CD1-CG 4.27Å; I40-K281 HydrophobicContact CG2-CD 4.2Å; I40-K281 HydrophobicContact CG2-CG 4.12Å |
| 41 | P | 84.2 | Confident | 89.8 | Confident | 12 Ų | 12 | 26.5 Ų | 26.5 | 8% | 0.078 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 144.9 | -178.7 | 28.8 | -30.1 | 0 | 0 | 0 | 111.3 | S43 A142 A144 V283 Q287 | P41-S43 VanDerWaalsContact C-N 3.34Å; P41-S43 PolarHBondContact O-N 3.25Å; P41-A142 WeakPolarHBondContact CA-O 3.41Å; P41-A144 HydrophobicContact CB-CB 3.78Å; P41-A144 HydrophobicContact CG-CB 3.69Å; P41-V283 HydrophobicContact CG-CG1 4.45Å; P41-Q287 HydrophobicContact CB-CB 4.2Å; P41-Q287 HydrophobicContact CB-CG 4.41Å; P41-Q287 HydrophobicContact CG-CB 4.19Å; P41-Q287 HydrophobicContact CG-CG 4.5Å |
| 42 | G | 77.4 | Confident | 90 | Very high | 75 Ų | 75 | 23.8 Ų | 23.8 | 77% | 0.773 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 9.7 | 168 | 0 | 0 | 0 | 0 | 0 | 115.2 | A142 | G42-A142 PolarHBondContact N-O 3.44Š|
| 43 | S | 72.7 | Confident | 90 | Very high | 29 Ų | 29 | 25.1 Ų | 25.1 | 20% | 0.203 | 16% | 0.159 | C | C | . | . | trans | -76.3 | 140.3 | 168.1 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | P41 D45 A142 | P41-S43 VanDerWaalsContact C-N 3.34Å; P41-S43 PolarHBondContact O-N 3.25Å; S43-D45 VanDerWaalsContact C-N 3.27Å; S43-D45 WeakPolarHBondContact CB-O 3.39Å; S43-A142 WeakPolarHBondContact O-CB 3.49Å | ||
| 44 | V | 72.7 | Confident | 89.7 | Confident | 148 Ų | 148 | 26.6 Ų | 26.6 | 90% | 0.897 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -64.1 | -40.1 | 174.5 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 45 | D | 79.3 | Confident | 89.6 | Confident | 68 Ų | 68 | 28.3 Ų | 28.3 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -103.8 | 136.2 | 173 | -67.3 | -46.8 | 0 | 0 | 0 | 109.6 | S43 Q47 K66 | S43-D45 VanDerWaalsContact C-N 3.27Å; S43-D45 WeakPolarHBondContact CB-O 3.39Å; D45-Q47 PolarHBondContact O-N 3.31Å; D45-K66 HydrophobicContact CB-CG 4.47Å; D45-K66 VanDerWaalsContact CG-NZ 3.32Å; D45-K66 VanDerWaalsContact OD1-CE 3.29Å; D45-K66 WeakPolarHBondContact OD1-CE 3.22Å; D45-K66 IonicContact OD1-NZ 3.25Å; D45-K66 WeakPolarHBondContact OD2-CE 3.45Å; D45-K66 IonicContact OD2-NZ 2.69Å; D45-K66 PolarHBondContact OD2-NZ 2.83Å |
| 46 | P | 84.6 | Confident | 89.4 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | trans | -66.4 | 121 | -179.6 | 25 | -29.5 | 0 | 0 | 0 | 109.8 | L65 P139 P140 | P46-L65 HydrophobicContact CB-CB 4.23Å; P46-L65 WeakPolarHBondContact O-CB 3.09Å; P46-L65 PolarHBondContact O-N 2.74Å; P46-P139 HydrophobicContact CG-CB 3.62Å; P46-P139 HydrophobicContact CG-CG 4.1Å; P46-P140 HydrophobicContact CB-CG 4.48Å; P46-P140 VanDerWaalsContact CB-O 3.28Å; P46-P140 WeakPolarHBondContact CB-O 3.33Å; P46-P140 WeakPolarHBondContact CG-O 3.48Å | ||
| 47 | Q | 91 | Very high | 89.3 | Confident | 46 Ų | 46 | 34 Ų | 34 | 22% | 0.215 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 152.3 | -176.2 | -76.9 | -178 | -37.6 | 0 | 0 | 109.3 | I40 D45 L62 V63 | I40-Q47 PolarHBondContact N-O 2.66Å; D45-Q47 PolarHBondContact O-N 3.31Å; Q47-L62 HydrophobicContact CB-CB 4.15Å; Q47-L62 HydrophobicContact CB-CD1 4.16Å; Q47-L62 HydrophobicContact CG-CB 4.47Å; Q47-V63 CarbonylContact C-O 3.54Å; Q47-V63 VanDerWaalsContact CA-O 3.32Å; Q47-V63 WeakPolarHBondContact CA-O 3.19Å |
| 48 | A | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 154.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | F37 Y38 L62 V63 L65 | F37-A48 HydrophobicContact CB-CB 3.89Å; Y38-A48 CarbonylContact O-C 3.57Å; Y38-A48 WeakPolarHBondContact O-CA 3.26Å; Y38-A48 WeakPolarHBondContact O-CB 3.27Å; A48-L62 CarbonylContact O-C 3.55Å; A48-L62 WeakPolarHBondContact O-CA 3.18Å; A48-V63 PolarHBondContact N-O 2.75Å; A48-V63 PolarHBondContact O-N 3.09Å; A48-L65 HydrophobicContact CB-CD1 3.89Å; A48-L65 HydrophobicContact CB-CD2 4.3Å; A48-L65 HydrophobicContact CB-CG 4.16Å |
| 49 | Y | 93.7 | Very high | 89.3 | Confident | 24 Ų | 24 | 34.5 Ų | 34.5 | 9% | 0.094 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 132.8 | 152.3 | -70.7 | -64.4 | 0 | 0 | 0 | 108.4 | F37 Y38 I40 W58 T59 L62 V278 K279 K281 | F37-Y49 WeakPolarHBondContact CA-O 3.48Å; Y38-Y49 PolarHBondContact N-O 2.89Å; Y38-Y49 PolarHBondContact O-N 3.13Å; I40-Y49 HydrophobicContact CD1-CD2 3.51Å; I40-Y49 HydrophobicContact CD1-CE2 3.73Å; I40-Y49 HydrophobicContact CG1-CD2 4.28Å; I40-Y49 HydrophobicContact CG1-CE2 4.44Å; Y49-W58 WeakPolarHBondContact O-CZ3 3.35Å; Y49-T59 WeakPolarHBondContact CD1-O 3.45Å; Y49-L62 HydrophobicContact CD1-CD2 3.84Å; Y49-L62 HydrophobicContact CD2-CD2 4.29Å; Y49-L62 HydrophobicContact CE1-CD2 3.72Å; Y49-L62 HydrophobicContact CE2-CD2 4.16Å; Y49-L62 HydrophobicContact CG-CD2 4.11Å; Y49-V278 HydrophobicContact CD2-CG1 4.13Å; Y49-V278 WeakPolarHBondContact CE2-O 3.25Å; Y49-K279 HydrophobicContact CD1-CB 4.05Å; Y49-K279 HydrophobicContact CD1-CG 4.16Å; Y49-K279 HydrophobicContact CD2-CB 3.9Å; Y49-K279 HydrophobicContact CE1-CB 3.87Å; Y49-K279 HydrophobicContact CE1-CG 3.72Å; Y49-K279 HydrophobicContact CE2-CB 3.74Å; Y49-K279 HydrophobicContact CE2-CG 4.41Å; Y49-K279 HydrophobicContact CG-CB 4.07Å; Y49-K281 HydrophobicContact CE2-CB 3.95Å |
| 50 | G | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 149.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V36 W58 T59 | V36-G50 CarbonylContact O-C 3.47Å; V36-G50 VanDerWaalsContact O-CA 3.29Å; V36-G50 WeakPolarHBondContact O-CA 3.37Å; G50-W58 CarbonylContact O-C 3.52Å; G50-W58 VanDerWaalsContact O-CA 3.3Å; G50-W58 WeakPolarHBondContact O-CA 3.34Å; G50-T59 PolarHBondContact N-OG1 2.96Å; G50-T59 WeakPolarHBondContact O-CG2 3.48Å; G50-T59 PolarHBondContact O-N 3.31Å |
| 51 | A | 96.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 138 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | W34 V36 W58 L329 | W34-A51 WeakPolarHBondContact CZ3-O 3.49Å; V36-A51 HydrophobicContact CB-CB 4.42Å; V36-A51 PolarHBondContact N-O 3.33Å; V36-A51 PolarHBondContact O-N 3.46Å; A51-W58 HydrophobicContact CB-CE3 4.02Å; A51-W58 HydrophobicContact CB-CZ3 4.2Å; A51-L329 HydrophobicContact CB-CD1 3.7Å |
| 52 | F | 96.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 156.5 | -167.3 | -50.7 | -72.4 | 0 | 0 | 0 | 111.4 | D26 E27 W34 F37 T54 A55 V56 T59 V63 | D26-F52 HydrophobicContact CB-CB 4.21Å; D26-F52 HydrophobicContact CB-CD1 3.9Å; D26-F52 HydrophobicContact CB-CD2 4.19Å; D26-F52 HydrophobicContact CB-CE1 4.3Å; D26-F52 HydrophobicContact CB-CG 3.83Å; E27-F52 HydrophobicContact CB-CE2 3.75Å; E27-F52 HydrophobicContact CB-CZ 3.82Å; E27-F52 HydrophobicContact CG-CE2 3.98Å; W34-F52 VanDerWaalsContact CH2-C 3.44Å; W34-F52 WeakPolarHBondContact CH2-O 3.3Å; W34-F52 VanDerWaalsContact CZ3-C 3.42Å; F37-F52 HydrophobicContact CD1-CE1 4.44Å; F37-F52 AromaticContact CE1-CE1 3.6Å; F37-F52 HydrophobicContact CE1-CE1 3.6Å; F37-F52 AromaticContact CE1-CZ 3.94Å; F37-F52 HydrophobicContact CE1-CZ 3.94Å; F37-F52 AromaticContact CZ-CE1 3.8Å; F37-F52 HydrophobicContact CZ-CE1 3.8Å; F52-T54 PolarHBondContact O-N 2.78Å; F52-T54 VanDerWaalsContact O-N 3.14Å; F52-A55 PolarHBondContact N-O 2.83Å; F52-A55 CarbonylContact O-C 3.53Å; F52-A55 PolarHBondContact O-N 2.76Å; F52-A55 VanDerWaalsContact O-O 3.05Å; F52-V56 PolarHBondContact O-N 3.39Å; F52-T59 HydrophobicContact CD2-CG2 4.38Å; F52-T59 HydrophobicContact CE2-CG2 3.59Å; F52-T59 HydrophobicContact CZ-CG2 4.44Å; F52-V63 HydrophobicContact CZ-CG2 4.23Å |
| 53 | S | 95.8 | Very high | 90.4 | Very high | 28 Ų | 28 | 44.2 Ų | 44.2 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -24.8 | 174.4 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | D33 W34 | D33-S53 PolarHBondContact N-OG 2.75Å; D33-S53 PolarHBondContact OD2-OG 2.76Å; W34-S53 PolarHBondContact O-N 2.68Å |
| 54 | T | 92.2 | Very high | 91.3 | Very high | 88 Ų | 88 | 46.9 Ų | 46.9 | 54% | 0.54 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -22.5 | 175.8 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | F52 | F52-T54 PolarHBondContact O-N 2.78Å; F52-T54 VanDerWaalsContact O-N 3.14Å |
| 55 | A | 94 | Very high | 92.1 | Very high | 45 Ų | 45 | 39.8 Ų | 39.8 | 37% | 0.372 | 22% | 0.215 | S | C | . | . | B | Isolated β-bridge | trans | -153.8 | 92.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110 | F52 K57 | F52-A55 PolarHBondContact N-O 2.83Å; F52-A55 CarbonylContact O-C 3.53Å; F52-A55 PolarHBondContact O-N 2.76Å; F52-A55 VanDerWaalsContact O-O 3.05Å; A55-K57 PolarHBondContact O-N 3.08Å |
| 56 | V | 93.9 | Very high | 92.1 | Very high | 26 Ų | 26 | 39.3 Ų | 39.3 | 16% | 0.158 | 21% | 0.21 | C | C | . | . | trans | -81.6 | 67.3 | -174.5 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | W34 F52 Q328 L329 | W34-V56 HydrophobicContact CH2-CB 4.26Å; W34-V56 HydrophobicContact CH2-CG1 3.88Å; W34-V56 HydrophobicContact CH2-CG2 3.76Å; W34-V56 HydrophobicContact CZ2-CG1 4.29Å; W34-V56 HydrophobicContact CZ2-CG2 3.69Å; F52-V56 PolarHBondContact O-N 3.39Å; V56-Q328 HydrophobicContact CB-CB 4.08Å; V56-Q328 HydrophobicContact CG1-CB 3.57Å; V56-L329 HydrophobicContact CG1-CB 3.75Å; V56-L329 HydrophobicContact CG1-CD1 4.36Å; V56-L329 VanDerWaalsContact CG1-N 3.29Å | ||
| 57 | K | 93.5 | Very high | 91.4 | Very high | 100 Ų | 100 | 44.5 Ų | 44.5 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -154.5 | 157 | 171.5 | 63.5 | 172 | -172 | 156.7 | 0 | 108.8 | A55 T59 D60 | A55-K57 PolarHBondContact O-N 3.08Å; K57-T59 PolarHBondContact O-N 2.81Å; K57-D60 IonicContact NZ-OD2 3.61Å; K57-D60 PolarHBondContact NZ-OD2 3.34Å; K57-D60 VanDerWaalsContact NZ-OD2 3.1Å |
| 58 | W | 93.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | trans | -61.6 | 131 | 168.8 | -67.9 | 121.1 | 0 | 0 | 0 | 111.4 | V36 Y38 Y49 G50 A51 V278 K279 E332 W333 | V36-W58 HydrophobicContact CG1-CH2 4.11Å; V36-W58 HydrophobicContact CG1-CZ3 4.27Å; Y38-W58 HydrophobicContact CD2-CH2 4.38Å; Y38-W58 HydrophobicContact CG-CH2 4.38Å; Y49-W58 WeakPolarHBondContact O-CZ3 3.35Å; G50-W58 CarbonylContact O-C 3.52Å; G50-W58 VanDerWaalsContact O-CA 3.3Å; G50-W58 WeakPolarHBondContact O-CA 3.34Å; A51-W58 HydrophobicContact CB-CE3 4.02Å; A51-W58 HydrophobicContact CB-CZ3 4.2Å; W58-V278 HydrophobicContact CD2-CG1 4.26Å; W58-V278 HydrophobicContact CH2-CG1 4.23Å; W58-V278 HydrophobicContact CZ2-CG1 3.6Å; W58-K279 HydrophobicContact CB-CB 4.04Å; W58-K279 HydrophobicContact CB-CD 3.54Å; W58-K279 HydrophobicContact CB-CG 4.35Å; W58-K279 HydrophobicContact CG-CB 4.32Å; W58-K279 PolarHBondContact O-NZ 2.81Å; W58-E332 PolarHBondContact N-OE2 3.35Å; W58-W333 HydrophobicContact CD2-CZ3 4.47Å; W58-W333 AromaticContact CE2-CH2 3.72Å; W58-W333 AromaticContact CE2-CZ3 3.56Å; W58-W333 AromaticContact CH2-CH2 2.98Å; W58-W333 HydrophobicContact CH2-CH2 2.98Å; W58-W333 AromaticContact CH2-CZ2 3.26Å; W58-W333 HydrophobicContact CH2-CZ2 3.26Å; W58-W333 AromaticContact CH2-CZ3 3.75Å; W58-W333 HydrophobicContact CH2-CZ3 3.75Å; W58-W333 HydrophobicContact CZ2-CD2 4.01Å; W58-W333 AromaticContact CZ2-CE2 3.65Å; W58-W333 AromaticContact CZ2-CE3 3.78Å; W58-W333 HydrophobicContact CZ2-CE3 3.78Å; W58-W333 AromaticContact CZ2-CH2 2.89Å; W58-W333 HydrophobicContact CZ2-CH2 2.89Å; W58-W333 AromaticContact CZ2-CZ2 3.12Å; W58-W333 HydrophobicContact CZ2-CZ2 3.12Å; W58-W333 AromaticContact CZ2-CZ3 3.21Å; W58-W333 HydrophobicContact CZ2-CZ3 3.21Å; W58-W333 AromaticContact CZ3-CH2 3.92Å; W58-W333 HydrophobicContact CZ3-CH2 3.92Å; W58-W333 HydrophobicContact CZ3-CZ2 4.49Å; W58-W333 AromaticContact NE1-CZ3 3.9Å | ||
| 59 | T | 94.6 | Very high | 89.8 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | trans | -54.2 | 144.3 | 176.6 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | E27 Y49 G50 F52 K57 N61 V63 | E27-T59 WeakPolarHBondContact OE2-CG2 3.42Å; Y49-T59 WeakPolarHBondContact CD1-O 3.45Å; G50-T59 PolarHBondContact N-OG1 2.96Å; G50-T59 WeakPolarHBondContact O-CG2 3.48Å; G50-T59 PolarHBondContact O-N 3.31Å; F52-T59 HydrophobicContact CD2-CG2 4.38Å; F52-T59 HydrophobicContact CE2-CG2 3.59Å; F52-T59 HydrophobicContact CZ-CG2 4.44Å; K57-T59 PolarHBondContact O-N 2.81Å; T59-N61 WeakPolarHBondContact CB-O 3.09Å; T59-N61 PolarHBondContact OG1-O 3.45Å; T59-V63 HydrophobicContact CG2-CG2 4.06Å | ||
| 60 | D | 90.9 | Very high | 89.6 | Confident | 101 Ų | 101 | 49.1 Ų | 49.1 | 54% | 0.54 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -75.5 | -31.1 | 178 | -63.1 | -47.4 | 0 | 0 | 0 | 111 | K57 K279 | K57-D60 IonicContact NZ-OD2 3.61Å; K57-D60 PolarHBondContact NZ-OD2 3.34Å; K57-D60 VanDerWaalsContact NZ-OD2 3.1Å; D60-K279 IonicContact OD1-NZ 3.57Å; D60-K279 PolarHBondContact OD1-NZ 2.82Å |
| 61 | N | 91.2 | Very high | 89.6 | Confident | 128 Ų | 128 | 49.3 Ų | 49.3 | 68% | 0.684 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -106.5 | 154.3 | 172.5 | -62.2 | -55 | 0 | 0 | 0 | 110.8 | T59 | T59-N61 WeakPolarHBondContact CB-O 3.09Å; T59-N61 PolarHBondContact OG1-O 3.45Å |
| 62 | L | 91.2 | Very high | 89.4 | Confident | 61 Ų | 61 | 49.3 Ų | 49.3 | 32% | 0.319 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 133.8 | 173.7 | -67 | 177.2 | 0 | 0 | 0 | 110.7 | I40 Q47 A48 Y49 | I40-L62 HydrophobicContact CG1-CD2 3.87Å; Q47-L62 HydrophobicContact CB-CB 4.15Å; Q47-L62 HydrophobicContact CB-CD1 4.16Å; Q47-L62 HydrophobicContact CG-CB 4.47Å; A48-L62 CarbonylContact O-C 3.55Å; A48-L62 WeakPolarHBondContact O-CA 3.18Å; Y49-L62 HydrophobicContact CD1-CD2 3.84Å; Y49-L62 HydrophobicContact CD2-CD2 4.29Å; Y49-L62 HydrophobicContact CE1-CD2 3.72Å; Y49-L62 HydrophobicContact CE2-CD2 4.16Å; Y49-L62 HydrophobicContact CG-CD2 4.11Å |
| 63 | V | 92.7 | Very high | 89.2 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 124.5 | 173.4 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | E27 F37 Q47 A48 F52 T59 L65 P71 | E27-V63 HydrophobicContact CB-CG1 4.29Å; E27-V63 HydrophobicContact CB-CG2 3.85Å; F37-V63 HydrophobicContact CD1-CG1 4.45Å; F37-V63 HydrophobicContact CE1-CG1 4.15Å; Q47-V63 CarbonylContact C-O 3.54Å; Q47-V63 VanDerWaalsContact CA-O 3.32Å; Q47-V63 WeakPolarHBondContact CA-O 3.19Å; A48-V63 PolarHBondContact N-O 2.75Å; A48-V63 PolarHBondContact O-N 3.09Å; F52-V63 HydrophobicContact CZ-CG2 4.23Å; T59-V63 HydrophobicContact CG2-CG2 4.06Å; V63-L65 HydrophobicContact CG1-CD2 4.49Å; V63-L65 PolarHBondContact O-N 2.74Å; V63-P71 HydrophobicContact CG1-CG 3.62Å |
| 64 | E | 90.2 | Very high | 89 | Confident | 84 Ų | 84 | 51 Ų | 51 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 126.3 | 174.9 | -62.7 | -164.4 | 157.3 | 0 | 0 | 110.5 | K66 G70 P71 | E64-K66 VanDerWaalsContact C-N 3.34Å; E64-K66 IonicContact OE1-NZ 3.05Å; E64-G70 WeakPolarHBondContact O-CA 3.26Å; E64-P71 WeakPolarHBondContact O-CD 3.41Å |
| 65 | L | 89.7 | Confident | 89.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -98.8 | 14.9 | 173.5 | -54 | -175.3 | 0 | 0 | 0 | 112 | F37 V39 P46 A48 V63 L72 P139 P140 I147 | F37-L65 HydrophobicContact CD1-CD2 3.97Å; F37-L65 HydrophobicContact CE1-CD2 4.43Å; F37-L65 HydrophobicContact CG-CD2 4.33Å; V39-L65 HydrophobicContact CG1-CD1 4.45Å; V39-L65 HydrophobicContact CG2-CD1 3.79Å; P46-L65 HydrophobicContact CB-CB 4.23Å; P46-L65 WeakPolarHBondContact O-CB 3.09Å; P46-L65 PolarHBondContact O-N 2.74Å; A48-L65 HydrophobicContact CB-CD1 3.89Å; A48-L65 HydrophobicContact CB-CD2 4.3Å; A48-L65 HydrophobicContact CB-CG 4.16Å; V63-L65 HydrophobicContact CG1-CD2 4.49Å; V63-L65 PolarHBondContact O-N 2.74Å; L65-L72 HydrophobicContact CD1-CD1 4.27Å; L65-L72 HydrophobicContact CD2-CD1 3.92Å; L65-L72 HydrophobicContact CD2-CG 4.25Å; L65-P139 WeakPolarHBondContact O-CB 3.09Å; L65-P140 HydrophobicContact CB-CG 4.35Å; L65-P140 HydrophobicContact CD1-CG 4.02Å; L65-I147 HydrophobicContact CD1-CD1 4.41Å | ||
| 66 | K | 79.5 | Confident | 89 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | trans | -56.7 | 162.1 | 173.3 | -71.8 | -177.6 | 178.4 | 172 | 0 | 111.3 | D45 E64 G70 | D45-K66 HydrophobicContact CB-CG 4.47Å; D45-K66 VanDerWaalsContact CG-NZ 3.32Å; D45-K66 VanDerWaalsContact OD1-CE 3.29Å; D45-K66 WeakPolarHBondContact OD1-CE 3.22Å; D45-K66 IonicContact OD1-NZ 3.25Å; D45-K66 WeakPolarHBondContact OD2-CE 3.45Å; D45-K66 IonicContact OD2-NZ 2.69Å; D45-K66 PolarHBondContact OD2-NZ 2.83Å; E64-K66 VanDerWaalsContact C-N 3.34Å; E64-K66 IonicContact OE1-NZ 3.05Å; K66-G70 PolarHBondContact O-N 2.56Å | ||
| 67 | E | 70.9 | Confident | 88.8 | Confident | 122 Ų | 122 | 46.8 Ų | 46.8 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -29 | -125.3 | -173.2 | -63.7 | -176.6 | 177.5 | 0 | 0 | 115.9 | T69 G73 F137 | E67-T69 PolarHBondContact O-N 3.5Å; E67-G73 WeakPolarHBondContact O-CA 3.18Å; E67-F137 WeakPolarHBondContact O-CD1 3.05Å; E67-F137 WeakPolarHBondContact O-CE1 3.25Å |
| 68 | D | 70.8 | Confident | 88.6 | Confident | 84 Ų | 84 | 43.5 Ų | 43.5 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 7.5 | -172.7 | 65.5 | -12.5 | 0 | 0 | 0 | 113.7 | K77 | D68-K77 HydrophobicContact CB-CD 4.15Š|
| 69 | T | 79.9 | Confident | 88.6 | Confident | 79 Ų | 79 | 43.3 Ų | 43.3 | 49% | 0.485 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -26.1 | -175.1 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | K29 E67 | K29-T69 WeakPolarHBondContact CD-O 3.17Å; K29-T69 PolarHBondContact NZ-O 2.67Å; K29-T69 VanDerWaalsContact NZ-O 3.11Å; E67-T69 PolarHBondContact O-N 3.5Å |
| 70 | G | 89.8 | Confident | 88.4 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -89.6 | 173.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E64 K66 L72 G73 E74 | E64-G70 WeakPolarHBondContact O-CA 3.26Å; K66-G70 PolarHBondContact O-N 2.56Å; G70-L72 PolarHBondContact O-N 3.13Å; G70-G73 WeakPolarHBondContact O-CA 3.43Å; G70-G73 PolarHBondContact O-N 2.71Å; G70-G73 VanDerWaalsContact O-N 3.16Å; G70-E74 PolarHBondContact O-N 2.88Å |
| 71 | P | 93.2 | Very high | 88.4 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.019 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.5 | -38.8 | -176.1 | 20.9 | -31 | 0 | 0 | 0 | 114.6 | K25 D26 F37 V63 E64 G73 L75 | K25-P71 HydrophobicContact CB-CB 3.72Å; D26-P71 WeakPolarHBondContact O-CB 3.41Å; F37-P71 HydrophobicContact CE1-CB 4.26Å; F37-P71 HydrophobicContact CE1-CG 3.58Å; F37-P71 HydrophobicContact CZ-CB 3.96Å; F37-P71 HydrophobicContact CZ-CG 3.78Å; V63-P71 HydrophobicContact CG1-CG 3.62Å; E64-P71 WeakPolarHBondContact O-CD 3.41Å; P71-G73 VanDerWaalsContact C-N 3.32Å; P71-L75 WeakPolarHBondContact O-CB 3.29Å; P71-L75 PolarHBondContact O-N 3.03Å |
| 72 | L | 93.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.1 | -33.8 | 174.9 | -65.3 | -179.6 | 0 | 0 | 0 | 111.8 | F37 L65 G70 L76 L122 W129 F137 I147 | F37-L72 HydrophobicContact CD2-CD2 4.07Å; F37-L72 HydrophobicContact CD2-CG 4.42Å; F37-L72 HydrophobicContact CE2-CD2 3.74Å; F37-L72 HydrophobicContact CE2-CG 4.23Å; F37-L72 HydrophobicContact CZ-CD2 4.44Å; L65-L72 HydrophobicContact CD1-CD1 4.27Å; L65-L72 HydrophobicContact CD2-CD1 3.92Å; L65-L72 HydrophobicContact CD2-CG 4.25Å; G70-L72 PolarHBondContact O-N 3.13Å; L72-L76 PolarHBondContact O-N 3.38Å; L72-L122 HydrophobicContact CD2-CD2 4.25Å; L72-W129 HydrophobicContact CD1-CH2 4.29Å; L72-W129 HydrophobicContact CD1-CZ2 4.32Å; L72-F137 HydrophobicContact CB-CZ 3.96Å; L72-I147 HydrophobicContact CD1-CD1 3.67Å; L72-I147 HydrophobicContact CD1-CG2 4.08Å; L72-I147 HydrophobicContact CD2-CG2 4.08Å |
| 73 | G | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.6 | -56 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E67 G70 P71 L75 L76 K77 | E67-G73 WeakPolarHBondContact O-CA 3.18Å; G70-G73 WeakPolarHBondContact O-CA 3.43Å; G70-G73 PolarHBondContact O-N 2.71Å; G70-G73 VanDerWaalsContact O-N 3.16Å; P71-G73 VanDerWaalsContact C-N 3.32Å; G73-L75 VanDerWaalsContact C-N 3.3Å; G73-L75 PolarHBondContact O-N 2.77Å; G73-L76 PolarHBondContact O-N 2.81Å; G73-K77 WeakPolarHBondContact O-CA 3.44Å; G73-K77 WeakPolarHBondContact O-CB 3.31Å; G73-K77 PolarHBondContact O-N 3.18Å |
| 74 | E | 91.6 | Very high | 88.2 | Confident | 67 Ų | 67 | 44 Ų | 44 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.7 | -44.3 | 177.3 | -172.6 | 69.6 | -147.8 | 0 | 0 | 111.6 | K25 K29 G70 A78 | K25-E74 HydrophobicContact CD-CG 4.42Å; K25-E74 HydrophobicContact CG-CB 4.42Å; K25-E74 HydrophobicContact CG-CG 4.42Å; K29-E74 HydrophobicContact CB-CG 4.3Å; K29-E74 HydrophobicContact CD-CB 3.99Å; K29-E74 HydrophobicContact CD-CG 4.25Å; K29-E74 HydrophobicContact CG-CB 4.26Å; K29-E74 HydrophobicContact CG-CG 4.5Å; G70-E74 PolarHBondContact O-N 2.88Å; E74-A78 PolarHBondContact O-N 3.47Å |
| 75 | L | 94 | Very high | 88.3 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.8 | -53 | 177.9 | -177.5 | 71 | 0 | 0 | 0 | 112.1 | K23 K25 P71 G73 W120 L122 | K23-L75 WeakPolarHBondContact O-CD1 3.22Å; K25-L75 HydrophobicContact CG-CB 4.29Å; P71-L75 WeakPolarHBondContact O-CB 3.29Å; P71-L75 PolarHBondContact O-N 3.03Å; G73-L75 VanDerWaalsContact C-N 3.3Å; G73-L75 PolarHBondContact O-N 2.77Å; L75-W120 HydrophobicContact CD1-CB 4.16Å; L75-W120 HydrophobicContact CD1-CD2 4.01Å; L75-W120 HydrophobicContact CD1-CG 3.58Å; L75-W120 HydrophobicContact CD2-CD2 4.15Å; L75-W120 HydrophobicContact CD2-CE3 4.32Å; L75-W120 HydrophobicContact CD2-CG 4.38Å; L75-W120 HydrophobicContact CG-CD2 4.12Å; L75-W120 HydrophobicContact CG-CG 4.22Å; L75-L122 HydrophobicContact CD2-CD1 4.03Å; L75-L122 HydrophobicContact CD2-CD2 3.8Å; L75-L122 HydrophobicContact CD2-CG 4.1Å |
| 76 | L | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -81.5 | -24 | -175.2 | -71 | 167.6 | 0 | 0 | 0 | 112.5 | L72 G73 A78 F79 Y80 W120 L122 W129 P130 L132 F137 | L72-L76 PolarHBondContact O-N 3.38Å; G73-L76 PolarHBondContact O-N 2.81Å; L76-A78 VanDerWaalsContact C-N 3.25Å; L76-A78 PolarHBondContact O-N 2.77Å; L76-F79 WeakPolarHBondContact O-CA 3.3Å; L76-F79 WeakPolarHBondContact O-CB 3.46Å; L76-F79 PolarHBondContact O-N 3.39Å; L76-Y80 HydrophobicContact CB-CD2 4.18Å; L76-Y80 HydrophobicContact CB-CE2 3.83Å; L76-Y80 WeakPolarHBondContact O-CD2 3.47Å; L76-Y80 PolarHBondContact O-N 2.77Å; L76-W120 HydrophobicContact CD2-CH2 3.45Å; L76-W120 VanDerWaalsContact CD2-CH2 3.45Å; L76-W120 HydrophobicContact CD2-CZ2 3.83Å; L76-W120 HydrophobicContact CD2-CZ3 4.32Å; L76-L122 HydrophobicContact CD2-CD1 4.42Å; L76-W129 HydrophobicContact CD1-CZ2 4.25Å; L76-P130 HydrophobicContact CD1-CB 4.42Å; L76-L132 HydrophobicContact CD2-CD2 4.39Å; L76-F137 HydrophobicContact CB-CB 4.46Å; L76-F137 HydrophobicContact CB-CD2 3.97Å; L76-F137 HydrophobicContact CB-CG 4.45Å; L76-F137 HydrophobicContact CD1-CD2 3.38Å; L76-F137 HydrophobicContact CD1-CE2 3.43Å; L76-F137 VanDerWaalsContact CD1-CE2 3.43Å; L76-F137 HydrophobicContact CG-CD2 4.3Å |
| 77 | K | 90 | Very high | 89.3 | Confident | 66 Ų | 66 | 40.5 Ų | 40.5 | 29% | 0.287 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.6 | -41.4 | 172.6 | 175.3 | 168.4 | 178.1 | 54.5 | 0 | 111.3 | D68 G73 F79 Y80 D81 | D68-K77 HydrophobicContact CB-CD 4.15Å; G73-K77 WeakPolarHBondContact O-CA 3.44Å; G73-K77 WeakPolarHBondContact O-CB 3.31Å; G73-K77 PolarHBondContact O-N 3.18Å; K77-F79 PolarHBondContact O-N 3.15Å; K77-Y80 PolarHBondContact O-N 3.14Å; K77-Y80 VanDerWaalsContact O-N 3.11Å; K77-D81 WeakPolarHBondContact CE-OD2 3.45Å; K77-D81 VanDerWaalsContact CG-OD2 3.28Å; K77-D81 WeakPolarHBondContact CG-OD2 3.16Å; K77-D81 VanDerWaalsContact NZ-CG 3.29Å; K77-D81 IonicContact NZ-OD1 2.7Å; K77-D81 PolarHBondContact NZ-OD1 2.91Å; K77-D81 IonicContact NZ-OD2 2.74Å; K77-D81 PolarHBondContact NZ-OD2 2.83Å; K77-D81 WeakPolarHBondContact O-CB 3.35Å; K77-D81 PolarHBondContact O-N 2.83Å |
| 78 | A | 88.8 | Confident | 90.5 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 26% | 0.264 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.8 | -34.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E74 L76 Y86 | E74-A78 PolarHBondContact O-N 3.47Å; L76-A78 VanDerWaalsContact C-N 3.25Å; L76-A78 PolarHBondContact O-N 2.77Å; A78-Y86 VanDerWaalsContact C-CE2 3.49Å; A78-Y86 HydrophobicContact CB-CE2 4.32Å; A78-Y86 WeakPolarHBondContact CB-OH 3.4Å; A78-Y86 WeakPolarHBondContact O-CE2 3.45Å |
| 79 | F | 92.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.9 | -50.9 | 171.9 | 162 | -103.3 | 0 | 0 | 0 | 112 | L76 K77 D81 A82 K83 Y86 I88 L132 Y173 | L76-F79 WeakPolarHBondContact O-CA 3.3Å; L76-F79 WeakPolarHBondContact O-CB 3.46Å; L76-F79 PolarHBondContact O-N 3.39Å; K77-F79 PolarHBondContact O-N 3.15Å; F79-D81 VanDerWaalsContact C-N 3.31Å; F79-D81 PolarHBondContact O-N 3.26Å; F79-A82 CarbonylContact O-C 3.37Å; F79-A82 PolarHBondContact O-N 2.85Å; F79-A82 VanDerWaalsContact O-N 3.15Å; F79-K83 HydrophobicContact CE1-CG 4.37Å; F79-K83 HydrophobicContact CE2-CB 4.37Å; F79-K83 HydrophobicContact CE2-CG 4.07Å; F79-K83 HydrophobicContact CZ-CD 4.27Å; F79-K83 HydrophobicContact CZ-CG 4.01Å; F79-K83 WeakPolarHBondContact O-CA 3.38Å; F79-K83 WeakPolarHBondContact O-CG 3.42Å; F79-K83 PolarHBondContact O-N 2.91Å; F79-Y86 HydrophobicContact CB-CD1 4.43Å; F79-Y86 HydrophobicContact CB-CD2 4.37Å; F79-Y86 HydrophobicContact CB-CE1 4.46Å; F79-Y86 HydrophobicContact CB-CE2 4.41Å; F79-Y86 HydrophobicContact CB-CG 4.37Å; F79-Y86 HydrophobicContact CD2-CD1 4.39Å; F79-Y86 HydrophobicContact CD2-CG 4.01Å; F79-I88 HydrophobicContact CD1-CD1 4.15Å; F79-I88 HydrophobicContact CD2-CD1 3.76Å; F79-I88 HydrophobicContact CE1-CD1 4.14Å; F79-I88 HydrophobicContact CE2-CB 4.32Å; F79-I88 HydrophobicContact CE2-CD1 3.74Å; F79-I88 HydrophobicContact CE2-CG2 3.94Å; F79-I88 HydrophobicContact CG-CD1 3.96Å; F79-I88 HydrophobicContact CZ-CD1 3.93Å; F79-I88 HydrophobicContact CZ-CG2 4.33Å; F79-L132 HydrophobicContact CD1-CD2 4.2Å; F79-L132 HydrophobicContact CE1-CB 4.3Å; F79-L132 HydrophobicContact CE1-CD2 3.89Å; F79-Y173 AromaticContact CZ-CE1 4Å; F79-Y173 HydrophobicContact CZ-CE1 4Å |
| 80 | Y | 91.8 | Very high | 92.7 | Very high | 19 Ų | 19 | 27 Ų | 27 | 8% | 0.075 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.2 | -38.1 | -177.1 | -71.3 | -68.5 | 0 | 0 | 0 | 113 | L76 K77 A82 D131 E134 F137 | L76-Y80 HydrophobicContact CB-CD2 4.18Å; L76-Y80 HydrophobicContact CB-CE2 3.83Å; L76-Y80 WeakPolarHBondContact O-CD2 3.47Å; L76-Y80 PolarHBondContact O-N 2.77Å; K77-Y80 PolarHBondContact O-N 3.14Å; K77-Y80 VanDerWaalsContact O-N 3.11Å; Y80-A82 VanDerWaalsContact C-N 3.28Å; Y80-A82 PolarHBondContact O-N 3.2Å; Y80-D131 PolarHBondContact OH-O 3.17Å; Y80-E134 WeakPolarHBondContact CD1-O 3Å; Y80-E134 VanDerWaalsContact CE1-O 3.25Å; Y80-E134 WeakPolarHBondContact CE1-O 2.79Å; Y80-F137 HydrophobicContact CD2-CB 4.01Å; Y80-F137 HydrophobicContact CE2-CB 3.67Å; Y80-F137 HydrophobicContact CE2-CD2 4.47Å; Y80-F137 VanDerWaalsContact CE2-N 3.35Å |
| 81 | D | 90.4 | Very high | 92.9 | Very high | 108 Ų | 108 | 26.8 Ų | 26.8 | 58% | 0.578 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -22.1 | 179.6 | -70.9 | -9.1 | 0 | 0 | 0 | 112.7 | K77 F79 | K77-D81 WeakPolarHBondContact CE-OD2 3.45Å; K77-D81 VanDerWaalsContact CG-OD2 3.28Å; K77-D81 WeakPolarHBondContact CG-OD2 3.16Å; K77-D81 VanDerWaalsContact NZ-CG 3.29Å; K77-D81 IonicContact NZ-OD1 2.7Å; K77-D81 PolarHBondContact NZ-OD1 2.91Å; K77-D81 IonicContact NZ-OD2 2.74Å; K77-D81 PolarHBondContact NZ-OD2 2.83Å; K77-D81 WeakPolarHBondContact O-CB 3.35Å; K77-D81 PolarHBondContact O-N 2.83Å; F79-D81 VanDerWaalsContact C-N 3.31Å; F79-D81 PolarHBondContact O-N 3.26Å |
| 82 | A | 89 | Confident | 92.9 | Very high | 31 Ų | 31 | 26.6 Ų | 26.6 | 26% | 0.256 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -144.4 | 44.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F79 Y80 D84 T85 | F79-A82 CarbonylContact O-C 3.37Å; F79-A82 PolarHBondContact O-N 2.85Å; F79-A82 VanDerWaalsContact O-N 3.15Å; Y80-A82 VanDerWaalsContact C-N 3.28Å; Y80-A82 PolarHBondContact O-N 3.2Å; A82-D84 VanDerWaalsContact C-N 3.25Å; A82-D84 PolarHBondContact O-N 3.49Å; A82-D84 VanDerWaalsContact O-N 3.1Å; A82-T85 WeakPolarHBondContact CB-OG1 3.21Å; A82-T85 PolarHBondContact O-N 2.91Å; A82-T85 PolarHBondContact O-OG1 2.92Å |
| 83 | K | 91.7 | Very high | 92.7 | Very high | 40 Ų | 40 | 27.2 Ų | 27.2 | 17% | 0.174 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -49.2 | -41.3 | -173.9 | -67.1 | -173.5 | 177.3 | -172.7 | 0 | 113.8 | F79 T85 Y86 E134 K175 | F79-K83 HydrophobicContact CE1-CG 4.37Å; F79-K83 HydrophobicContact CE2-CB 4.37Å; F79-K83 HydrophobicContact CE2-CG 4.07Å; F79-K83 HydrophobicContact CZ-CD 4.27Å; F79-K83 HydrophobicContact CZ-CG 4.01Å; F79-K83 WeakPolarHBondContact O-CA 3.38Å; F79-K83 WeakPolarHBondContact O-CG 3.42Å; F79-K83 PolarHBondContact O-N 2.91Å; K83-T85 PolarHBondContact O-N 2.9Å; K83-Y86 PolarHBondContact O-N 3.04Å; K83-E134 PolarHBondContact NZ-O 3.44Å; K83-K175 HydrophobicContact CB-CD 4.44Å; K83-K175 WeakPolarHBondContact O-CD 3.29Å; K83-K175 WeakPolarHBondContact O-CE 3.43Å |
| 84 | D | 90.9 | Very high | 92.7 | Very high | 122 Ų | 122 | 28.4 Ų | 28.4 | 65% | 0.652 | 15% | 0.153 | S | C | * | . | G | 310 helix | trans | -70.8 | -12.1 | -177.2 | -67.1 | -35.9 | 0 | 0 | 0 | 114.5 | A82 K175 | A82-D84 VanDerWaalsContact C-N 3.25Å; A82-D84 PolarHBondContact O-N 3.49Å; A82-D84 VanDerWaalsContact O-N 3.1Å; D84-K175 VanDerWaalsContact OD1-CE 3.23Å; D84-K175 WeakPolarHBondContact OD1-CE 3.48Å; D84-K175 IonicContact OD1-NZ 3.99Å; D84-K175 PolarHBondContact OD1-NZ 2.73Å |
| 85 | T | 91.4 | Very high | 92.9 | Very high | 67 Ų | 67 | 25.3 Ų | 25.3 | 41% | 0.411 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -103 | 3.8 | 177 | 67 | 0 | 0 | 0 | 0 | 112.9 | A82 K83 K115 | A82-T85 WeakPolarHBondContact CB-OG1 3.21Å; A82-T85 PolarHBondContact O-N 2.91Å; A82-T85 PolarHBondContact O-OG1 2.92Å; K83-T85 PolarHBondContact O-N 2.9Å; T85-K115 WeakPolarHBondContact O-CE 3.41Å; T85-K115 WeakPolarHBondContact O-CG 3.46Å; T85-K115 WeakPolarHBondContact OG1-CE 3.26Å; T85-K115 PolarHBondContact OG1-NZ 3.41Å |
| 86 | Y | 93.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | trans | -113.4 | 136 | -176.9 | -102.4 | -90.3 | 0 | 0 | 0 | 111.8 | V22 A78 F79 K83 K115 | V22-Y86 HydrophobicContact CG1-CE1 3.57Å; V22-Y86 VanDerWaalsContact CG1-OH 3.25Å; V22-Y86 WeakPolarHBondContact CG1-OH 2.84Å; V22-Y86 HydrophobicContact CG2-CE1 4.35Å; V22-Y86 WeakPolarHBondContact CG2-OH 3.47Å; A78-Y86 VanDerWaalsContact C-CE2 3.49Å; A78-Y86 HydrophobicContact CB-CE2 4.32Å; A78-Y86 WeakPolarHBondContact CB-OH 3.4Å; A78-Y86 WeakPolarHBondContact O-CE2 3.45Å; F79-Y86 HydrophobicContact CB-CD1 4.43Å; F79-Y86 HydrophobicContact CB-CD2 4.37Å; F79-Y86 HydrophobicContact CB-CE1 4.46Å; F79-Y86 HydrophobicContact CB-CE2 4.41Å; F79-Y86 HydrophobicContact CB-CG 4.37Å; F79-Y86 HydrophobicContact CD2-CD1 4.39Å; F79-Y86 HydrophobicContact CD2-CG 4.01Å; K83-Y86 PolarHBondContact O-N 3.04Å; Y86-K115 HydrophobicContact CD1-CG 4.31Å; Y86-K115 HydrophobicContact CD2-CD 4.32Å; Y86-K115 VanDerWaalsContact CD2-CE 3.47Å; Y86-K115 HydrophobicContact CD2-CG 4.08Å; Y86-K115 HydrophobicContact CE1-CG 4.3Å; Y86-K115 HydrophobicContact CE2-CD 4.06Å; Y86-K115 VanDerWaalsContact CE2-CE 3.43Å; Y86-K115 HydrophobicContact CE2-CG 4.05Å; Y86-K115 HydrophobicContact CG-CG 4.22Å | ||
| 87 | N | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 133.2 | 159.4 | -61.4 | -66.6 | 0 | 0 | 0 | 108.4 | G113 Y114 K115 K175 S176 V177 T182 L184 | N87-G113 WeakPolarHBondContact O-CA 3.37Å; N87-Y114 HydrophobicContact CB-CD1 3.76Å; N87-Y114 HydrophobicContact CB-CD2 4.11Å; N87-Y114 HydrophobicContact CB-CE1 3.37Å; N87-Y114 HydrophobicContact CB-CE2 3.73Å; N87-Y114 HydrophobicContact CB-CG 4.1Å; N87-Y114 PolarHBondContact N-O 2.6Å; N87-Y114 WeakPolarHBondContact ND2-CE2 3.07Å; N87-Y114 PolarHBondContact O-N 3.18Å; N87-K115 PolarHBondContact ND2-O 3.18Å; N87-K175 CarbonylContact C-O 3.54Å; N87-K175 WeakPolarHBondContact CA-O 3.45Å; N87-S176 WeakPolarHBondContact OD1-CA 3.43Å; N87-V177 PolarHBondContact OD1-N 3.05Å; N87-T182 PolarHBondContact ND2-O 3.23Å; N87-L184 HydrophobicContact CB-CD2 4.16Å; N87-L184 HydrophobicContact CB-CG 4.35Å |
| 88 | I | 97.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 137.6 | 179.1 | -158.7 | 163.8 | 0 | 0 | 0 | 110.9 | F79 V111 L112 W120 L132 Y173 F174 K175 | F79-I88 HydrophobicContact CD1-CD1 4.15Å; F79-I88 HydrophobicContact CD2-CD1 3.76Å; F79-I88 HydrophobicContact CE1-CD1 4.14Å; F79-I88 HydrophobicContact CE2-CB 4.32Å; F79-I88 HydrophobicContact CE2-CD1 3.74Å; F79-I88 HydrophobicContact CE2-CG2 3.94Å; F79-I88 HydrophobicContact CG-CD1 3.96Å; F79-I88 HydrophobicContact CZ-CD1 3.93Å; F79-I88 HydrophobicContact CZ-CG2 4.33Å; I88-V111 HydrophobicContact CD1-CG1 3.82Å; I88-V111 HydrophobicContact CG1-CG1 3.7Å; I88-L112 CarbonylContact C-O 3.39Å; I88-L112 WeakPolarHBondContact CA-O 3.48Å; I88-L112 WeakPolarHBondContact CG1-O 3.3Å; I88-W120 HydrophobicContact CD1-CH2 4.34Å; I88-L132 HydrophobicContact CD1-CD1 3.67Å; I88-L132 HydrophobicContact CD1-CD2 4.13Å; I88-L132 HydrophobicContact CG1-CD1 4.18Å; I88-Y173 HydrophobicContact CG2-CD1 3.87Å; I88-Y173 HydrophobicContact CG2-CE1 3.59Å; I88-F174 CarbonylContact O-C 3.56Å; I88-F174 WeakPolarHBondContact O-CA 3.47Å; I88-F174 WeakPolarHBondContact O-CB 3.28Å; I88-K175 HydrophobicContact CG2-CB 3.81Å; I88-K175 PolarHBondContact N-O 2.89Å; I88-K175 PolarHBondContact O-N 2.84Å |
| 89 | I | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 123.7 | 166.6 | -66.2 | 168.1 | 0 | 0 | 0 | 106.8 | Y91 V111 L112 V171 F174 L184 L190 L193 T194 | I89-Y91 HydrophobicContact CG2-CD1 4.4Å; I89-V111 CarbonylContact O-C 3.54Å; I89-V111 WeakPolarHBondContact O-CA 3.48Å; I89-L112 PolarHBondContact N-O 3Å; I89-L112 PolarHBondContact O-N 3.3Å; I89-V171 HydrophobicContact CG2-CG1 4.07Å; I89-V171 HydrophobicContact CG2-CG2 4.09Å; I89-F174 HydrophobicContact CG1-CB 4.26Å; I89-L184 HydrophobicContact CD1-CD1 4.12Å; I89-L184 HydrophobicContact CD1-CD2 3.63Å; I89-L184 HydrophobicContact CD1-CG 4.46Å; I89-L184 HydrophobicContact CG1-CD1 3.68Å; I89-L184 HydrophobicContact CG1-CD2 3.82Å; I89-L184 HydrophobicContact CG1-CG 4.43Å; I89-L190 HydrophobicContact CD1-CD2 4.09Å; I89-L193 HydrophobicContact CD1-CB 4.3Å; I89-L193 HydrophobicContact CD1-CD1 4.3Å; I89-T194 HydrophobicContact CD1-CG2 4.19Å; I89-T194 HydrophobicContact CG1-CG2 4.22Å |
| 90 | A | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 129.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G110 V111 L132 V171 Y172 Y173 | A90-G110 WeakPolarHBondContact CA-O 3.02Å; A90-V111 HydrophobicContact CB-CB 4.4Å; A90-V111 HydrophobicContact CB-CG1 4.13Å; A90-V111 HydrophobicContact CB-CG2 3.85Å; A90-L132 HydrophobicContact CB-CD1 3.35Å; A90-V171 WeakPolarHBondContact O-CA 3.29Å; A90-Y172 HydrophobicContact CB-CD1 4.26Å; A90-Y172 HydrophobicContact CB-CE1 3.49Å; A90-Y172 VanDerWaalsContact CB-CE1 3.49Å; A90-Y172 HydrophobicContact CB-CE2 4.25Å; A90-Y172 VanDerWaalsContact CB-CZ 3.47Å; A90-Y172 WeakPolarHBondContact CB-OH 3.46Å; A90-Y172 WeakPolarHBondContact O-CD1 3.38Å; A90-Y172 PolarHBondContact O-N 2.93Å; A90-Y173 PolarHBondContact N-O 2.83Å; A90-Y173 PolarHBondContact O-N 3.35Å |
| 91 | Y | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.3 | 178.4 | 51.4 | -89.8 | 0 | 0 | 0 | 110.3 | I89 V108 K109 G110 W121 W160 V164 P169 V170 | I89-Y91 HydrophobicContact CG2-CD1 4.4Å; Y91-V108 HydrophobicContact CD2-CG1 3.91Å; Y91-V108 HydrophobicContact CE2-CG1 3.38Å; Y91-K109 VanDerWaalsContact CE2-C 3.46Å; Y91-K109 CarbonylContact O-C 3.54Å; Y91-K109 VanDerWaalsContact O-CA 3.27Å; Y91-K109 WeakPolarHBondContact O-CA 3.49Å; Y91-G110 PolarHBondContact N-O 2.6Å; Y91-G110 PolarHBondContact O-N 3.21Å; Y91-G110 VanDerWaalsContact O-O 3.11Å; Y91-W121 PolarHBondContact OH-NE1 3.29Å; Y91-W160 HydrophobicContact CE1-CH2 4.08Å; Y91-W160 AromaticContact CE1-CZ2 3.77Å; Y91-W160 HydrophobicContact CE1-CZ2 3.77Å; Y91-V164 HydrophobicContact CE1-CG1 4.25Å; Y91-P169 HydrophobicContact CD2-CB 4.32Å; Y91-P169 HydrophobicContact CG-CB 4.12Å; Y91-V170 CarbonylContact C-O 3.57Å; Y91-V170 WeakPolarHBondContact CA-O 3.17Å; Y91-V170 WeakPolarHBondContact CB-O 3.44Å |
| 92 | N | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -165.7 | 128 | 179.7 | -172 | -27.3 | 0 | 0 | 0 | 106.5 | F94 P95 K109 V126 W129 V170 Y172 | N92-F94 PolarHBondContact O-N 2.91Å; N92-F94 WeakPolarHBondContact OD1-CA 3.22Å; N92-F94 PolarHBondContact OD1-N 3.48Å; N92-F94 PolarHBondContact OD1-O 2.73Å; N92-P95 HydrophobicContact CB-CB 4.11Å; N92-P95 VanDerWaalsContact O-CD 3.27Å; N92-P95 WeakPolarHBondContact O-CD 3.08Å; N92-K109 HydrophobicContact CB-CB 4.2Å; N92-K109 HydrophobicContact CB-CG 4.25Å; N92-K109 WeakPolarHBondContact OD1-CD 3.34Å; N92-K109 WeakPolarHBondContact OD1-CE 3.34Å; N92-K109 WeakPolarHBondContact OD1-CG 3.49Å; N92-V126 PolarHBondContact ND2-O 3.02Å; N92-W129 PolarHBondContact ND2-O 3.09Å; N92-V170 PolarHBondContact N-O 3.19Å; N92-V170 WeakPolarHBondContact O-CB 3.4Å; N92-Y172 HydrophobicContact CB-CD1 3.81Å; N92-Y172 HydrophobicContact CB-CE1 3.74Å | ||
| 93 | D | 90.6 | Very high | 91.8 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -68.9 | -22.9 | 175.3 | 67.7 | -41.5 | 0 | 0 | 0 | 112.7 | P101 S102 P107 K109 | D93-P101 CarbonylContact O-C 2.98Å; D93-P101 WeakPolarHBondContact O-CA 3.28Å; D93-S102 PolarHBondContact O-N 2.87Å; D93-P107 VanDerWaalsContact CG-CA 3.47Å; D93-K109 WeakPolarHBondContact OD1-CE 3.49Å; D93-K109 IonicContact OD1-NZ 2.77Å; D93-K109 PolarHBondContact OD1-NZ 3.37Å; D93-K109 IonicContact OD2-NZ 2.71Å |
| 94 | F | 92 | Very high | 91 | Very high | 26 Ų | 26 | 56 Ų | 56 | 11% | 0.114 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -124.7 | 67.9 | 171.8 | -158.8 | -176 | 0 | 0 | 0 | 111.1 | N92 F98 P101 D127 K128 | N92-F94 PolarHBondContact O-N 2.91Å; N92-F94 WeakPolarHBondContact OD1-CA 3.22Å; N92-F94 PolarHBondContact OD1-N 3.48Å; N92-F94 PolarHBondContact OD1-O 2.73Å; F94-F98 HydrophobicContact CD2-CB 3.84Å; F94-F98 HydrophobicContact CE2-CB 3.99Å; F94-F98 VanDerWaalsContact CE2-O 3.29Å; F94-F98 WeakPolarHBondContact CE2-O 3.28Å; F94-P101 HydrophobicContact CB-CB 3.97Å; F94-P101 HydrophobicContact CD1-CB 4.28Å; F94-P101 HydrophobicContact CG-CB 4.06Å; F94-D127 HydrophobicContact CB-CB 4.41Å; F94-D127 HydrophobicContact CD1-CB 3.82Å; F94-D127 HydrophobicContact CG-CB 4.4Å; F94-K128 HydrophobicContact CD2-CG 4.24Å; F94-K128 VanDerWaalsContact CE2-CE 3.44Å; F94-K128 HydrophobicContact CE2-CG 4.29Å; F94-K128 HydrophobicContact CG-CG 4.39Å; F94-K128 HydrophobicContact CZ-CD 4.42Å; F94-K128 HydrophobicContact CZ-CG 4.44Å; F94-K128 VanDerWaalsContact O-CA 3.29Å; F94-K128 WeakPolarHBondContact O-CA 3.01Å; F94-K128 PolarHBondContact O-N 3.04Å |
| 95 | P | 94.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | trans | -69.9 | 168.9 | -175.1 | 32.4 | -34.1 | 0 | 0 | 0 | 111.3 | N92 F98 Y172 | N92-P95 HydrophobicContact CB-CB 4.11Å; N92-P95 VanDerWaalsContact O-CD 3.27Å; N92-P95 WeakPolarHBondContact O-CD 3.08Å; P95-F98 HydrophobicContact CG-CB 4.27Å; P95-F98 HydrophobicContact CG-CD1 3.71Å; P95-F98 HydrophobicContact CG-CD2 3.47Å; P95-F98 VanDerWaalsContact CG-CD2 3.47Å; P95-F98 HydrophobicContact CG-CE1 3.78Å; P95-F98 HydrophobicContact CG-CE2 3.54Å; P95-F98 HydrophobicContact CG-CG 3.55Å; P95-F98 HydrophobicContact CG-CZ 3.69Å; P95-F98 WeakPolarHBondContact O-CB 3.5Å; P95-F98 PolarHBondContact O-N 3.48Å; P95-Y172 HydrophobicContact CB-CD1 3.65Å; P95-Y172 HydrophobicContact CB-CD2 3.85Å; P95-Y172 HydrophobicContact CB-CE1 4.3Å; P95-Y172 HydrophobicContact CB-CE2 4.5Å; P95-Y172 HydrophobicContact CB-CG 3.39Å; P95-Y172 HydrophobicContact CG-CG 4.26Å | ||
| 96 | P | 94.5 | Very high | 89.6 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 8% | 0.078 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 145.4 | 172.4 | -22.6 | 26.8 | 0 | 0 | 0 | 112.2 | F98 P130 D131 Y172 | P96-F98 PolarHBondContact O-N 2.85Å; P96-P130 WeakPolarHBondContact CG-O 3.34Å; P96-D131 HydrophobicContact CB-CB 3.86Å; P96-D131 HydrophobicContact CG-CB 3.78Å; P96-Y172 HydrophobicContact CG-CE2 4.37Å |
| 97 | N | 92 | Very high | 89 | Confident | 132 Ų | 132 | 48.8 Ų | 48.8 | 71% | 0.706 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | -6 | 177.7 | -51.2 | -57.1 | 0 | 0 | 0 | 116.3 | D131 | N97-D131 PolarHBondContact ND2-OD2 3.25Š|
| 98 | F | 92.1 | Very high | 88.3 | Confident | 99 Ų | 99 | 49.1 Ų | 49.1 | 43% | 0.434 | 24% | 0.244 | S | C | . | . | trans | -70.5 | 146.5 | 172.7 | -85.4 | -142.8 | 0 | 0 | 0 | 110.9 | F94 P95 P96 | F94-F98 HydrophobicContact CD2-CB 3.84Å; F94-F98 HydrophobicContact CE2-CB 3.99Å; F94-F98 VanDerWaalsContact CE2-O 3.29Å; F94-F98 WeakPolarHBondContact CE2-O 3.28Å; P95-F98 HydrophobicContact CG-CB 4.27Å; P95-F98 HydrophobicContact CG-CD1 3.71Å; P95-F98 HydrophobicContact CG-CD2 3.47Å; P95-F98 VanDerWaalsContact CG-CD2 3.47Å; P95-F98 HydrophobicContact CG-CE1 3.78Å; P95-F98 HydrophobicContact CG-CE2 3.54Å; P95-F98 HydrophobicContact CG-CG 3.55Å; P95-F98 HydrophobicContact CG-CZ 3.69Å; P95-F98 WeakPolarHBondContact O-CB 3.5Å; P95-F98 PolarHBondContact O-N 3.48Å; P96-F98 PolarHBondContact O-N 2.85Å | ||
| 99 | R | 91.8 | Very high | 88 | Confident | 238 Ų | 238 | 49.8 Ų | 49.8 | 90% | 0.898 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -84.3 | -32 | 177 | -65.8 | -177.5 | -177.8 | 172.2 | 0.8 | 112.5 | ||
| 100 | Q | 89.3 | Confident | 87.9 | Confident | 126 Ų | 126 | 49.8 Ų | 49.8 | 59% | 0.589 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -145.2 | 151.5 | -178.6 | -66.1 | -175.1 | 0 | 0 | 0 | 109.9 | ||
| 101 | P | 86.8 | Confident | 87.9 | Confident | 60 Ų | 60 | 49.8 Ų | 49.8 | 39% | 0.39 | 25% | 0.247 | S | C | . | . | trans | -64.6 | 151.9 | 173.3 | 27.3 | -35.1 | 0 | 0 | 0 | 111.7 | D93 F94 K103 | D93-P101 CarbonylContact O-C 2.98Å; D93-P101 WeakPolarHBondContact O-CA 3.28Å; F94-P101 HydrophobicContact CB-CB 3.97Å; F94-P101 HydrophobicContact CD1-CB 4.28Å; F94-P101 HydrophobicContact CG-CB 4.06Å; P101-K103 PolarHBondContact O-N 2.94Å | ||
| 102 | S | 85 | Confident | 88 | Confident | 40 Ų | 40 | 49.8 Ų | 49.8 | 28% | 0.28 | 25% | 0.247 | S | C | . | . | trans | -63 | 129.5 | 167.4 | -175 | 0 | 0 | 0 | 0 | 109.5 | D93 S105 | D93-S102 PolarHBondContact O-N 2.87Å; S102-S105 WeakPolarHBondContact OG-CB 3.4Å; S102-S105 PolarHBondContact OG-OG 2.87Å; S102-S105 VanDerWaalsContact OG-OG 3.06Å | ||
| 103 | K | 75.8 | Confident | 88.2 | Confident | 150 Ų | 150 | 49.8 Ų | 49.8 | 65% | 0.652 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -89.8 | -24.6 | -176.2 | -63.5 | -176.8 | -178.1 | 177.8 | 0 | 113.6 | P101 | P101-K103 PolarHBondContact O-N 2.94Š|
| 104 | C | 73.5 | Confident | 88.5 | Confident | 87 Ų | 87 | 49.2 Ų | 49.2 | 59% | 0.588 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -114.1 | 6.1 | -168.3 | -59.3 | 0 | 0 | 0 | 0 | 114 | M314 | C104-M314 HydrophobicContact CB-CE 4.42Š|
| 105 | S | 75.5 | Confident | 88.5 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -115.3 | 170.7 | -176.6 | -54.2 | 0 | 0 | 0 | 0 | 110.6 | S102 | S102-S105 WeakPolarHBondContact OG-CB 3.4Å; S102-S105 PolarHBondContact OG-OG 2.87Å; S102-S105 VanDerWaalsContact OG-OG 3.06Å |
| 106 | S | 79 | Confident | 88.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -59.2 | 134 | 173.3 | 160.6 | 0 | 0 | 0 | 0 | 111 | V108 Q167 D168 | S106-V108 PolarHBondContact O-N 3.19Å; S106-V108 PolarHBondContact OG-N 2.73Å; S106-V108 VanDerWaalsContact OG-N 3.14Å; S106-Q167 WeakPolarHBondContact CB-O 3.31Å; S106-Q167 PolarHBondContact N-O 3.43Å; S106-D168 PolarHBondContact N-O 2.9Å; S106-D168 VanDerWaalsContact N-O 3.11Å |
| 107 | P | 79.9 | Confident | 87.6 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | trans | -85.5 | 12.8 | 178.4 | 33.6 | -33.7 | 0 | 0 | 0 | 113.6 | D93 D309 P318 | D93-P107 VanDerWaalsContact CG-CA 3.47Å; P107-D309 HydrophobicContact CB-CB 3.42Å; P107-D309 VanDerWaalsContact CB-CB 3.42Å; P107-D309 VanDerWaalsContact CG-C 3.4Å; P107-D309 HydrophobicContact CG-CB 3.32Å; P107-D309 WeakPolarHBondContact CG-O 3.34Å; P107-P318 WeakPolarHBondContact CD-O 3.29Å | ||
| 108 | V | 81.1 | Confident | 87.5 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | trans | -80.5 | 153.3 | 175.4 | 131.6 | 0 | 0 | 0 | 0 | 112.6 | Y91 S106 G308 I320 | Y91-V108 HydrophobicContact CD2-CG1 3.91Å; Y91-V108 HydrophobicContact CE2-CG1 3.38Å; S106-V108 PolarHBondContact O-N 3.19Å; S106-V108 PolarHBondContact OG-N 2.73Å; S106-V108 VanDerWaalsContact OG-N 3.14Å; V108-G308 VanDerWaalsContact CG2-CA 3.46Å; V108-I320 HydrophobicContact CB-CG2 3.36Å; V108-I320 HydrophobicContact CG1-CG2 3.72Å; V108-I320 HydrophobicContact CG2-CG2 2.99Å | ||
| 109 | K | 91.7 | Very high | 87.7 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 140.5 | -176.6 | -40.2 | 169.3 | 161 | 55.3 | 0 | 110.5 | Y91 N92 D93 I123 H124 V126 D127 | Y91-K109 VanDerWaalsContact CE2-C 3.46Å; Y91-K109 CarbonylContact O-C 3.54Å; Y91-K109 VanDerWaalsContact O-CA 3.27Å; Y91-K109 WeakPolarHBondContact O-CA 3.49Å; N92-K109 HydrophobicContact CB-CB 4.2Å; N92-K109 HydrophobicContact CB-CG 4.25Å; N92-K109 WeakPolarHBondContact OD1-CD 3.34Å; N92-K109 WeakPolarHBondContact OD1-CE 3.34Å; N92-K109 WeakPolarHBondContact OD1-CG 3.49Å; D93-K109 WeakPolarHBondContact OD1-CE 3.49Å; D93-K109 IonicContact OD1-NZ 2.77Å; D93-K109 PolarHBondContact OD1-NZ 3.37Å; D93-K109 IonicContact OD2-NZ 2.71Å; K109-I123 WeakPolarHBondContact O-CG2 3.37Å; K109-H124 WeakPolarHBondContact CB-CE1 2.76Å; K109-H124 WeakPolarHBondContact CB-O 3.46Å; K109-H124 PolarHBondContact O-N 2.95Å; K109-H124 VanDerWaalsContact O-N 3.11Å; K109-V126 VanDerWaalsContact CD-O 3.22Å; K109-V126 WeakPolarHBondContact CD-O 3.47Å; K109-D127 WeakPolarHBondContact CE-OD1 2.96Å; K109-D127 IonicContact NZ-OD1 3.26Å; K109-D127 PolarHBondContact NZ-OD1 2.91Å |
| 110 | G | 95.2 | Very high | 88 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | 167.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A90 Y91 L122 | A90-G110 WeakPolarHBondContact CA-O 3.02Å; Y91-G110 PolarHBondContact N-O 2.6Å; Y91-G110 PolarHBondContact O-N 3.21Å; Y91-G110 VanDerWaalsContact O-O 3.11Å; G110-L122 CarbonylContact C-O 3.59Å; G110-L122 WeakPolarHBondContact CA-O 3.06Å |
| 111 | V | 97.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 119.5 | -178.4 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | I88 I89 A90 W120 W121 L122 P130 L132 | I88-V111 HydrophobicContact CD1-CG1 3.82Å; I88-V111 HydrophobicContact CG1-CG1 3.7Å; I89-V111 CarbonylContact O-C 3.54Å; I89-V111 WeakPolarHBondContact O-CA 3.48Å; A90-V111 HydrophobicContact CB-CB 4.4Å; A90-V111 HydrophobicContact CB-CG1 4.13Å; A90-V111 HydrophobicContact CB-CG2 3.85Å; V111-W120 HydrophobicContact CB-CH2 4.38Å; V111-W120 HydrophobicContact CB-CZ3 3.84Å; V111-W120 HydrophobicContact CG1-CH2 3.67Å; V111-W120 HydrophobicContact CG1-CZ3 3.58Å; V111-W120 WeakPolarHBondContact O-CZ3 3.26Å; V111-W121 CarbonylContact O-C 3.5Å; V111-W121 WeakPolarHBondContact O-CA 3.28Å; V111-L122 HydrophobicContact CB-CB 4.27Å; V111-L122 HydrophobicContact CB-CD1 4.5Å; V111-L122 PolarHBondContact N-O 3.35Å; V111-L122 PolarHBondContact O-N 3.13Å; V111-P130 HydrophobicContact CG2-CG 3.72Å; V111-L132 HydrophobicContact CG1-CD1 4.08Å |
| 112 | L | 97.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.7 | 165.7 | 177.4 | 72.5 | 0 | 0 | 0 | 107.7 | I88 I89 Y114 W121 L152 M157 W160 L190 | I88-L112 CarbonylContact C-O 3.39Å; I88-L112 WeakPolarHBondContact CA-O 3.48Å; I88-L112 WeakPolarHBondContact CG1-O 3.3Å; I89-L112 PolarHBondContact N-O 3Å; I89-L112 PolarHBondContact O-N 3.3Å; L112-Y114 HydrophobicContact CD2-CD1 4.12Å; L112-Y114 HydrophobicContact CD2-CE1 4.12Å; L112-Y114 HydrophobicContact CG-CD1 4.1Å; L112-W121 HydrophobicContact CD1-CB 4.03Å; L112-L152 HydrophobicContact CD1-CD2 4.12Å; L112-M157 HydrophobicContact CD1-CE 4.35Å; L112-M157 HydrophobicContact CD1-CG 4.4Å; L112-M157 HydrophobicContact CD1-SD 4.3Å; L112-M157 HydrophobicContact CD2-CG 4.39Å; L112-M157 HydrophobicContact CD2-SD 4.19Å; L112-W160 HydrophobicContact CB-CH2 3.59Å; L112-W160 HydrophobicContact CB-CZ2 3.83Å; L112-W160 HydrophobicContact CB-CZ3 4.14Å; L112-W160 HydrophobicContact CD2-CD2 4.46Å; L112-W160 HydrophobicContact CD2-CE3 3.74Å; L112-W160 HydrophobicContact CD2-CH2 3.79Å; L112-W160 HydrophobicContact CD2-CZ2 4.44Å; L112-W160 HydrophobicContact CD2-CZ3 3.4Å; L112-W160 HydrophobicContact CG-CH2 4.25Å; L112-W160 HydrophobicContact CG-CZ3 4.32Å; L112-L190 HydrophobicContact CD2-CD2 3.9Å |
| 113 | G | 97.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 128.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | N87 G119 W120 | N87-G113 WeakPolarHBondContact O-CA 3.37Å; G113-G119 CarbonylContact O-C 2.86Å; G113-G119 WeakPolarHBondContact O-CA 3.19Å; G113-W120 PolarHBondContact N-O 2.66Å; G113-W120 PolarHBondContact O-N 2.85Å |
| 114 | Y | 95.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 163.3 | -177.9 | 71.5 | -83.7 | 0 | 0 | 0 | 112.7 | N87 L112 F154 M157 T182 L184 L190 | N87-Y114 HydrophobicContact CB-CD1 3.76Å; N87-Y114 HydrophobicContact CB-CD2 4.11Å; N87-Y114 HydrophobicContact CB-CE1 3.37Å; N87-Y114 HydrophobicContact CB-CE2 3.73Å; N87-Y114 HydrophobicContact CB-CG 4.1Å; N87-Y114 PolarHBondContact N-O 2.6Å; N87-Y114 WeakPolarHBondContact ND2-CE2 3.07Å; N87-Y114 PolarHBondContact O-N 3.18Å; L112-Y114 HydrophobicContact CD2-CD1 4.12Å; L112-Y114 HydrophobicContact CD2-CE1 4.12Å; L112-Y114 HydrophobicContact CG-CD1 4.1Å; Y114-F154 AromaticContact CD2-CD2 3.92Å; Y114-F154 HydrophobicContact CD2-CD2 3.92Å; Y114-F154 HydrophobicContact CD2-CE2 4.28Å; Y114-F154 AromaticContact CE2-CD2 3.59Å; Y114-F154 HydrophobicContact CE2-CD2 3.59Å; Y114-F154 AromaticContact CE2-CE2 3.48Å; Y114-F154 HydrophobicContact CE2-CE2 3.48Å; Y114-F154 VanDerWaalsContact CE2-CE2 3.48Å; Y114-F154 AromaticContact CZ-CE2 3.95Å; Y114-M157 HydrophobicContact CD1-CE 4.21Å; Y114-M157 HydrophobicContact CD1-SD 3.65Å; Y114-M157 HydrophobicContact CD2-CE 4.25Å; Y114-M157 HydrophobicContact CD2-SD 3.93Å; Y114-M157 HydrophobicContact CE1-SD 3.95Å; Y114-M157 HydrophobicContact CE2-SD 4.23Å; Y114-M157 HydrophobicContact CG-CE 3.79Å; Y114-M157 HydrophobicContact CG-SD 3.65Å; Y114-T182 WeakPolarHBondContact CE2-O 3.47Å; Y114-T182 VanDerWaalsContact CZ-O 3.32Å; Y114-T182 PolarHBondContact OH-O 2.81Å; Y114-L184 HydrophobicContact CE1-CD2 3.79Å; Y114-L184 WeakPolarHBondContact OH-CD2 3.21Å; Y114-L190 HydrophobicContact CE1-CD1 4.49Å |
| 115 | K | 92.9 | Very high | 90.9 | Very high | 54 Ų | 54 | 19.6 Ų | 19.6 | 24% | 0.235 | 11% | 0.106 | C | C | . | . | trans | -109 | -113.6 | 174.1 | -70.3 | -170.1 | 146 | -173.3 | 0 | 110.5 | V22 T85 Y86 N87 | V22-K115 HydrophobicContact CG2-CB 4.31Å; V22-K115 HydrophobicContact CG2-CD 3.81Å; V22-K115 HydrophobicContact CG2-CG 3.83Å; T85-K115 WeakPolarHBondContact O-CE 3.41Å; T85-K115 WeakPolarHBondContact O-CG 3.46Å; T85-K115 WeakPolarHBondContact OG1-CE 3.26Å; T85-K115 PolarHBondContact OG1-NZ 3.41Å; Y86-K115 HydrophobicContact CD1-CG 4.31Å; Y86-K115 HydrophobicContact CD2-CD 4.32Å; Y86-K115 VanDerWaalsContact CD2-CE 3.47Å; Y86-K115 HydrophobicContact CD2-CG 4.08Å; Y86-K115 HydrophobicContact CE1-CG 4.3Å; Y86-K115 HydrophobicContact CE2-CD 4.06Å; Y86-K115 VanDerWaalsContact CE2-CE 3.43Å; Y86-K115 HydrophobicContact CE2-CG 4.05Å; Y86-K115 HydrophobicContact CG-CG 4.22Å; N87-K115 PolarHBondContact ND2-O 3.18Å | ||
| 116 | D | 85 | Confident | 91.6 | Very high | 95 Ų | 95 | 18.8 Ų | 18.8 | 51% | 0.508 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -96 | -28.9 | -175.4 | -65.3 | -38.2 | 0 | 0 | 0 | 114.4 | T182 | D116-T182 HydrophobicContact CB-CG2 4.42Å; D116-T182 WeakPolarHBondContact O-CG2 3.47Å; D116-T182 PolarHBondContact OD1-OG1 3.26Å |
| 117 | N | 84.9 | Confident | 92.2 | Very high | 121 Ų | 121 | 22.1 Ų | 22.1 | 65% | 0.647 | 12% | 0.117 | S | C | * | . | S | Bend | trans | -125.8 | -55.1 | -171 | -66.6 | -19.8 | 0 | 0 | 0 | 113.4 | F154 | N117-F154 WeakPolarHBondContact O-CB 3.4Å; N117-F154 PolarHBondContact O-N 3.45Å |
| 118 | D | 89.8 | Confident | 92.8 | Very high | 55 Ų | 55 | 26.6 Ų | 26.6 | 29% | 0.294 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 159.6 | -178.7 | -58 | -43.6 | 0 | 0 | 0 | 109.3 | P153 | D118-P153 WeakPolarHBondContact OD1-CA 3.12Å |
| 119 | G | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | -168.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V22 G113 T151 L152 | V22-G119 CarbonylContact O-C 3.51Å; G113-G119 CarbonylContact O-C 2.86Å; G113-G119 WeakPolarHBondContact O-CA 3.19Å; G119-T151 CarbonylContact O-C 3.59Å; G119-T151 WeakPolarHBondContact O-CA 3.33Å; G119-L152 PolarHBondContact N-O 3.43Å; G119-L152 PolarHBondContact O-N 3.43Å |
| 120 | W | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 149.2 | 170.5 | 48.7 | -101.5 | 0 | 0 | 0 | 109.3 | V22 L75 L76 I88 V111 G113 L122 I150 | V22-W120 HydrophobicContact CG1-CG 4.45Å; L75-W120 HydrophobicContact CD1-CB 4.16Å; L75-W120 HydrophobicContact CD1-CD2 4.01Å; L75-W120 HydrophobicContact CD1-CG 3.58Å; L75-W120 HydrophobicContact CD2-CD2 4.15Å; L75-W120 HydrophobicContact CD2-CE3 4.32Å; L75-W120 HydrophobicContact CD2-CG 4.38Å; L75-W120 HydrophobicContact CG-CD2 4.12Å; L75-W120 HydrophobicContact CG-CG 4.22Å; L76-W120 HydrophobicContact CD2-CH2 3.45Å; L76-W120 VanDerWaalsContact CD2-CH2 3.45Å; L76-W120 HydrophobicContact CD2-CZ2 3.83Å; L76-W120 HydrophobicContact CD2-CZ3 4.32Å; I88-W120 HydrophobicContact CD1-CH2 4.34Å; V111-W120 HydrophobicContact CB-CH2 4.38Å; V111-W120 HydrophobicContact CB-CZ3 3.84Å; V111-W120 HydrophobicContact CG1-CH2 3.67Å; V111-W120 HydrophobicContact CG1-CZ3 3.58Å; V111-W120 WeakPolarHBondContact O-CZ3 3.26Å; G113-W120 PolarHBondContact N-O 2.66Å; G113-W120 PolarHBondContact O-N 2.85Å; W120-L122 HydrophobicContact CE3-CD1 4.08Å; W120-L122 HydrophobicContact CE3-CG 3.75Å; W120-L122 HydrophobicContact CH2-CD1 4.35Å; W120-L122 HydrophobicContact CZ3-CB 4.39Å; W120-L122 HydrophobicContact CZ3-CD1 3.64Å; W120-L122 HydrophobicContact CZ3-CG 3.76Å; W120-I150 CarbonylContact C-O 3.52Å; W120-I150 WeakPolarHBondContact CA-O 3.38Å |
| 121 | W | 97.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 113.8 | 173 | 170.9 | 35.6 | 0 | 0 | 0 | 108.8 | Y91 V111 L112 I123 C149 I150 L152 W160 I210 V218 L220 W322 | Y91-W121 PolarHBondContact OH-NE1 3.29Å; V111-W121 CarbonylContact O-C 3.5Å; V111-W121 WeakPolarHBondContact O-CA 3.28Å; L112-W121 HydrophobicContact CD1-CB 4.03Å; W121-I123 HydrophobicContact CD2-CD1 3.81Å; W121-I123 HydrophobicContact CD2-CG1 4.09Å; W121-I123 HydrophobicContact CE3-CD1 3.97Å; W121-I123 HydrophobicContact CH2-CD1 3.75Å; W121-I123 HydrophobicContact CH2-CG1 3.85Å; W121-I123 HydrophobicContact CZ2-CD1 3.61Å; W121-I123 HydrophobicContact CZ2-CG1 3.24Å; W121-I123 HydrophobicContact CZ3-CD1 3.93Å; W121-I123 HydrophobicContact CZ3-CG1 4.49Å; W121-C149 CarbonylContact O-C 3.54Å; W121-C149 WeakPolarHBondContact O-CA 3.43Å; W121-I150 HydrophobicContact CE3-CB 4.36Å; W121-I150 HydrophobicContact CE3-CG1 4.33Å; W121-I150 PolarHBondContact N-O 2.7Å; W121-I150 PolarHBondContact O-N 3.33Å; W121-L152 HydrophobicContact CB-CD2 4.42Å; W121-W160 AromaticContact CD1-NE1 3.72Å; W121-W160 AromaticContact CD2-CD1 3.69Å; W121-W160 AromaticContact CD2-NE1 3.19Å; W121-W160 AromaticContact CE2-CD1 3.83Å; W121-W160 AromaticContact CE2-NE1 3.02Å; W121-W160 AromaticContact CE3-CD1 3.68Å; W121-W160 AromaticContact CE3-NE1 3.69Å; W121-W160 AromaticContact CG-NE1 3.65Å; W121-W160 AromaticContact CH2-CD1 3.96Å; W121-W160 AromaticContact CH2-NE1 3.87Å; W121-W160 AromaticContact CZ2-CD1 3.95Å; W121-W160 AromaticContact CZ2-NE1 3.38Å; W121-W160 AromaticContact CZ3-CD1 3.83Å; W121-W160 AromaticContact NE1-CE2 3.96Å; W121-W160 AromaticContact NE1-CZ2 3.95Å; W121-W160 AromaticContact NE1-NE1 3.38Å; W121-I210 HydrophobicContact CE3-CD1 4.36Å; W121-I210 HydrophobicContact CZ3-CD1 4.12Å; W121-V218 HydrophobicContact CZ3-CG1 4.2Å; W121-L220 HydrophobicContact CH2-CD2 3.37Å; W121-L220 HydrophobicContact CZ3-CD2 3.62Å; W121-W322 HydrophobicContact CH2-CB 3.86Å; W121-W322 HydrophobicContact CH2-CG 4.04Å |
| 122 | L | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 133.4 | 170.4 | -68.6 | 173.9 | 0 | 0 | 0 | 110 | L72 L75 L76 G110 V111 W120 W129 I147 V148 C149 | L72-L122 HydrophobicContact CD2-CD2 4.25Å; L75-L122 HydrophobicContact CD2-CD1 4.03Å; L75-L122 HydrophobicContact CD2-CD2 3.8Å; L75-L122 HydrophobicContact CD2-CG 4.1Å; L76-L122 HydrophobicContact CD2-CD1 4.42Å; G110-L122 CarbonylContact C-O 3.59Å; G110-L122 WeakPolarHBondContact CA-O 3.06Å; V111-L122 HydrophobicContact CB-CB 4.27Å; V111-L122 HydrophobicContact CB-CD1 4.5Å; V111-L122 PolarHBondContact N-O 3.35Å; V111-L122 PolarHBondContact O-N 3.13Å; W120-L122 HydrophobicContact CE3-CD1 4.08Å; W120-L122 HydrophobicContact CE3-CG 3.75Å; W120-L122 HydrophobicContact CH2-CD1 4.35Å; W120-L122 HydrophobicContact CZ3-CB 4.39Å; W120-L122 HydrophobicContact CZ3-CD1 3.64Å; W120-L122 HydrophobicContact CZ3-CG 3.76Å; L122-W129 HydrophobicContact CD1-CH2 4.44Å; L122-I147 HydrophobicContact CD2-CG2 4.25Å; L122-V148 CarbonylContact C-O 3.59Å; L122-V148 VanDerWaalsContact CA-O 3.26Å; L122-V148 WeakPolarHBondContact CA-O 3.25Å; L122-C149 HydrophobicContact CD2-CB 3.56Å |
| 123 | I | 94 | Very high | 93.1 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.3 | 160.2 | -46.3 | 98.4 | 0 | 0 | 0 | 108.6 | K109 W121 I147 V148 I150 W322 | K109-I123 WeakPolarHBondContact O-CG2 3.37Å; W121-I123 HydrophobicContact CD2-CD1 3.81Å; W121-I123 HydrophobicContact CD2-CG1 4.09Å; W121-I123 HydrophobicContact CE3-CD1 3.97Å; W121-I123 HydrophobicContact CH2-CD1 3.75Å; W121-I123 HydrophobicContact CH2-CG1 3.85Å; W121-I123 HydrophobicContact CZ2-CD1 3.61Å; W121-I123 HydrophobicContact CZ2-CG1 3.24Å; W121-I123 HydrophobicContact CZ3-CD1 3.93Å; W121-I123 HydrophobicContact CZ3-CG1 4.49Å; I123-I147 CarbonylContact O-C 3.59Å; I123-I147 WeakPolarHBondContact O-CA 3.3Å; I123-V148 PolarHBondContact N-O 3.21Å; I123-V148 PolarHBondContact O-N 2.81Å; I123-I150 HydrophobicContact CD1-CG1 4.29Å; I123-W322 HydrophobicContact CB-CZ2 3.57Å; I123-W322 HydrophobicContact CD1-CD2 3.78Å; I123-W322 HydrophobicContact CD1-CE3 4.23Å; I123-W322 HydrophobicContact CD1-CG 4.21Å; I123-W322 HydrophobicContact CD1-CH2 4.24Å; I123-W322 HydrophobicContact CD1-CZ2 3.69Å; I123-W322 HydrophobicContact CD1-CZ3 4.48Å; I123-W322 HydrophobicContact CG1-CD2 4.09Å; I123-W322 HydrophobicContact CG1-CG 4.19Å; I123-W322 HydrophobicContact CG1-CZ2 3.92Å; I123-W322 HydrophobicContact CG2-CZ2 3.85Å |
| 124 | H | 93.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.028 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 162.6 | 177.1 | 62.2 | 92.7 | 0 | 0 | 0 | 113.7 | K109 V126 W129 L146 I147 | K109-H124 WeakPolarHBondContact CB-CE1 2.76Å; K109-H124 WeakPolarHBondContact CB-O 3.46Å; K109-H124 PolarHBondContact O-N 2.95Å; K109-H124 VanDerWaalsContact O-N 3.11Å; H124-V126 HydrophobicContact CB-CG2 4.32Å; H124-V126 PolarHBondContact CE1-O 3.19Å; H124-V126 VanDerWaalsContact CE1-O 3.25Å; H124-V126 PolarHBondContact ND1-N 2.81Å; H124-V126 PolarHBondContact ND1-O 3.1Å; H124-V126 VanDerWaalsContact ND1-O 3.11Å; H124-W129 HydrophobicContact CB-CZ3 4.18Å; H124-W129 AromaticContact CD2-CE3 3.98Å; H124-W129 AromaticContact CD2-CZ3 3.72Å; H124-W129 AromaticContact CE1-CE3 3.84Å; H124-W129 PolarHBondContact CE1-O 3.32Å; H124-W129 AromaticContact CG-CE3 3.9Å; H124-W129 AromaticContact CG-CZ3 3.78Å; H124-W129 AromaticContact ND1-CE3 3.82Å; H124-W129 AromaticContact NE2-CE3 3.96Å; H124-L146 CarbonylContact C-O 3.41Å; H124-L146 WeakPolarHBondContact CA-O 3.33Å; H124-I147 HydrophobicContact CB-CB 4.34Å; H124-I147 HydrophobicContact CB-CG1 3.9Å; H124-I147 HydrophobicContact CB-CG2 4.36Å |
| 125 | S | 90.2 | Very high | 92.6 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 12% | 0.119 | 21% | 0.211 | C | C | . | . | trans | -100.2 | 6.9 | 171 | 64.6 | 0 | 0 | 0 | 0 | 113.8 | G145 L146 T289 | S125-G145 VanDerWaalsContact OG-CA 3.29Å; S125-G145 WeakPolarHBondContact OG-CA 3.37Å; S125-L146 PolarHBondContact N-O 2.85Å; S125-L146 PolarHBondContact OG-N 3.49Å; S125-T289 PolarHBondContact OG-OG1 3.13Å | ||
| 126 | V | 90.7 | Very high | 92.4 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | trans | -84.4 | 118.3 | -170.8 | -173 | 0 | 0 | 0 | 0 | 112.4 | N92 K109 H124 W129 P140 P141 I147 | N92-V126 PolarHBondContact ND2-O 3.02Å; K109-V126 VanDerWaalsContact CD-O 3.22Å; K109-V126 WeakPolarHBondContact CD-O 3.47Å; H124-V126 HydrophobicContact CB-CG2 4.32Å; H124-V126 PolarHBondContact CE1-O 3.19Å; H124-V126 VanDerWaalsContact CE1-O 3.25Å; H124-V126 PolarHBondContact ND1-N 2.81Å; H124-V126 PolarHBondContact ND1-O 3.1Å; H124-V126 VanDerWaalsContact ND1-O 3.11Å; V126-W129 HydrophobicContact CB-CB 4.33Å; V126-W129 HydrophobicContact CB-CE3 4.24Å; V126-W129 HydrophobicContact CG1-CB 3.67Å; V126-W129 HydrophobicContact CG1-CG 4.18Å; V126-P140 HydrophobicContact CG1-CB 3.92Å; V126-P140 HydrophobicContact CG2-CB 4.36Å; V126-P141 VanDerWaalsContact CG1-CD 3.47Å; V126-P141 HydrophobicContact CG1-CG 3.66Å; V126-I147 HydrophobicContact CG2-CD1 4.07Å; V126-I147 HydrophobicContact CG2-CG1 3.92Å | ||
| 127 | D | 91 | Very high | 92.7 | Very high | 70 Ų | 70 | 36.9 Ų | 36.9 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 149.6 | 173.6 | -69.7 | -20 | 0 | 0 | 0 | 111.8 | F94 K109 W129 | F94-D127 HydrophobicContact CB-CB 4.41Å; F94-D127 HydrophobicContact CD1-CB 3.82Å; F94-D127 HydrophobicContact CG-CB 4.4Å; K109-D127 WeakPolarHBondContact CE-OD1 2.96Å; K109-D127 IonicContact NZ-OD1 3.26Å; K109-D127 PolarHBondContact NZ-OD1 2.91Å; D127-W129 PolarHBondContact O-N 3.29Å; D127-W129 VanDerWaalsContact O-N 3.16Å |
| 128 | K | 92.4 | Very high | 93 | Very high | 110 Ų | 110 | 36.2 Ų | 36.2 | 48% | 0.478 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 27.4 | 175.6 | -58.4 | -176.9 | 177 | -178.2 | 0 | 115.2 | F94 | F94-K128 HydrophobicContact CD2-CG 4.24Å; F94-K128 VanDerWaalsContact CE2-CE 3.44Å; F94-K128 HydrophobicContact CE2-CG 4.29Å; F94-K128 HydrophobicContact CG-CG 4.39Å; F94-K128 HydrophobicContact CZ-CD 4.42Å; F94-K128 HydrophobicContact CZ-CG 4.44Å; F94-K128 VanDerWaalsContact O-CA 3.29Å; F94-K128 WeakPolarHBondContact O-CA 3.01Å; F94-K128 PolarHBondContact O-N 3.04Å |
| 129 | W | 93.9 | Very high | 93 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 2% | 0.019 | 19% | 0.192 | C | C | . | . | trans | -143.4 | 155.6 | -178.8 | -177.7 | 89.1 | 0 | 0 | 0 | 111.1 | L72 L76 N92 L122 H124 V126 D127 F137 K138 P140 I147 | L72-W129 HydrophobicContact CD1-CH2 4.29Å; L72-W129 HydrophobicContact CD1-CZ2 4.32Å; L76-W129 HydrophobicContact CD1-CZ2 4.25Å; N92-W129 PolarHBondContact ND2-O 3.09Å; L122-W129 HydrophobicContact CD1-CH2 4.44Å; H124-W129 HydrophobicContact CB-CZ3 4.18Å; H124-W129 AromaticContact CD2-CE3 3.98Å; H124-W129 AromaticContact CD2-CZ3 3.72Å; H124-W129 AromaticContact CE1-CE3 3.84Å; H124-W129 PolarHBondContact CE1-O 3.32Å; H124-W129 AromaticContact CG-CE3 3.9Å; H124-W129 AromaticContact CG-CZ3 3.78Å; H124-W129 AromaticContact ND1-CE3 3.82Å; H124-W129 AromaticContact NE2-CE3 3.96Å; V126-W129 HydrophobicContact CB-CB 4.33Å; V126-W129 HydrophobicContact CB-CE3 4.24Å; V126-W129 HydrophobicContact CG1-CB 3.67Å; V126-W129 HydrophobicContact CG1-CG 4.18Å; D127-W129 PolarHBondContact O-N 3.29Å; D127-W129 VanDerWaalsContact O-N 3.16Å; W129-F137 AromaticContact CZ2-CE2 3.75Å; W129-F137 HydrophobicContact CZ2-CE2 3.75Å; W129-F137 HydrophobicContact CZ2-CZ 4.23Å; W129-F137 AromaticContact NE1-CE2 3.79Å; W129-K138 PolarHBondContact NE1-O 2.92Å; W129-P140 HydrophobicContact CD2-CB 4.13Å; W129-P140 HydrophobicContact CG-CB 4.15Å; W129-I147 HydrophobicContact CH2-CD1 4.14Å; W129-I147 HydrophobicContact CH2-CG2 4.25Å; W129-I147 HydrophobicContact CZ3-CD1 4.25Å; W129-I147 HydrophobicContact CZ3-CG2 4.4Å | ||
| 130 | P | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | cis | -74.5 | 160.3 | -18.5 | 31.3 | -32.8 | 0 | 0 | 0 | 112 | L76 P96 V111 L132 Y172 | L76-P130 HydrophobicContact CD1-CB 4.42Å; P96-P130 WeakPolarHBondContact CG-O 3.34Å; V111-P130 HydrophobicContact CG2-CG 3.72Å; P130-L132 HydrophobicContact CB-CD2 4.35Å; P130-L132 HydrophobicContact CG-CD2 4.08Å; P130-L132 HydrophobicContact CG-CG 4.2Å; P130-L132 PolarHBondContact O-N 2.74Å; P130-Y172 PolarHBondContact O-OH 2.77Å | ||
| 131 | D | 94.8 | Very high | 92.3 | Very high | 20 Ų | 20 | 38.4 Ų | 38.4 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | trans | -94.6 | 89.5 | 171.3 | -163.7 | -20.3 | 0 | 0 | 0 | 112 | Y80 P96 N97 T133 E134 | Y80-D131 PolarHBondContact OH-O 3.17Å; P96-D131 HydrophobicContact CB-CB 3.86Å; P96-D131 HydrophobicContact CG-CB 3.78Å; N97-D131 PolarHBondContact ND2-OD2 3.25Å; D131-T133 PolarHBondContact O-N 2.7Å; D131-T133 WeakPolarHBondContact OD1-CB 3.39Å; D131-T133 PolarHBondContact OD1-N 3Å; D131-T133 PolarHBondContact OD1-OG1 2.99Å; D131-E134 HydrophobicContact CB-CG 3.97Å; D131-E134 PolarHBondContact O-N 3.03Å | ||
| 132 | L | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -7.4 | -179.7 | -58.5 | 178 | 0 | 0 | 0 | 113.9 | L76 F79 I88 A90 V111 P130 E134 Y173 | L76-L132 HydrophobicContact CD2-CD2 4.39Å; F79-L132 HydrophobicContact CD1-CD2 4.2Å; F79-L132 HydrophobicContact CE1-CB 4.3Å; F79-L132 HydrophobicContact CE1-CD2 3.89Å; I88-L132 HydrophobicContact CD1-CD1 3.67Å; I88-L132 HydrophobicContact CD1-CD2 4.13Å; I88-L132 HydrophobicContact CG1-CD1 4.18Å; A90-L132 HydrophobicContact CB-CD1 3.35Å; V111-L132 HydrophobicContact CG1-CD1 4.08Å; P130-L132 HydrophobicContact CB-CD2 4.35Å; P130-L132 HydrophobicContact CG-CD2 4.08Å; P130-L132 HydrophobicContact CG-CG 4.2Å; P130-L132 PolarHBondContact O-N 2.74Å; L132-E134 VanDerWaalsContact C-N 3.32Å; L132-Y173 HydrophobicContact CB-CD1 3.67Å; L132-Y173 HydrophobicContact CB-CD2 4.21Å; L132-Y173 HydrophobicContact CB-CE1 3.88Å; L132-Y173 HydrophobicContact CB-CE2 4.39Å; L132-Y173 HydrophobicContact CB-CG 3.85Å; L132-Y173 HydrophobicContact CD1-CD1 3.71Å; L132-Y173 HydrophobicContact CD1-CE1 4.35Å; L132-Y173 HydrophobicContact CD1-CG 4.28Å; L132-Y173 HydrophobicContact CG-CD1 4.37Å |
| 133 | T | 92.7 | Very high | 90.8 | Very high | 85 Ų | 85 | 44.4 Ų | 44.4 | 52% | 0.521 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -21.8 | 175.3 | 72.6 | 0 | 0 | 0 | 0 | 112.1 | D131 Y173 | D131-T133 PolarHBondContact O-N 2.7Å; D131-T133 WeakPolarHBondContact OD1-CB 3.39Å; D131-T133 PolarHBondContact OD1-N 3Å; D131-T133 PolarHBondContact OD1-OG1 2.99Å; T133-Y173 HydrophobicContact CG2-CD2 3.92Å; T133-Y173 HydrophobicContact CG2-CE2 4.2Å |
| 134 | E | 91.6 | Very high | 90.2 | Very high | 66 Ų | 66 | 44.3 Ų | 44.3 | 31% | 0.308 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -73.1 | 167.8 | 177.4 | -65.9 | -76.2 | -160.9 | 0 | 0 | 112.4 | Y80 K83 D131 L132 K138 | Y80-E134 WeakPolarHBondContact CD1-O 3Å; Y80-E134 VanDerWaalsContact CE1-O 3.25Å; Y80-E134 WeakPolarHBondContact CE1-O 2.79Å; K83-E134 PolarHBondContact NZ-O 3.44Å; D131-E134 HydrophobicContact CB-CG 3.97Å; D131-E134 PolarHBondContact O-N 3.03Å; L132-E134 VanDerWaalsContact C-N 3.32Å; E134-K138 IonicContact OE1-NZ 2.65Å; E134-K138 PolarHBondContact OE1-NZ 3.2Å |
| 135 | N | 89.7 | Confident | 90 | Very high | 137 Ų | 137 | 44 Ų | 44 | 73% | 0.733 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -92.1 | -6.9 | -179.7 | -66.9 | -40.6 | 0 | 0 | 0 | 114.1 | ||
| 136 | A | 90.3 | Very high | 90.1 | Very high | 61 Ų | 61 | 43.3 Ų | 43.3 | 50% | 0.504 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -146.4 | 156.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K138 | A136-K138 PolarHBondContact O-N 3.46Š|
| 137 | F | 91 | Very high | 90.3 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | trans | -64.8 | 128.7 | 175.8 | 173.2 | -109.5 | 0 | 0 | 0 | 110.9 | E67 L72 L76 Y80 W129 P139 | E67-F137 WeakPolarHBondContact O-CD1 3.05Å; E67-F137 WeakPolarHBondContact O-CE1 3.25Å; L72-F137 HydrophobicContact CB-CZ 3.96Å; L76-F137 HydrophobicContact CB-CB 4.46Å; L76-F137 HydrophobicContact CB-CD2 3.97Å; L76-F137 HydrophobicContact CB-CG 4.45Å; L76-F137 HydrophobicContact CD1-CD2 3.38Å; L76-F137 HydrophobicContact CD1-CE2 3.43Å; L76-F137 VanDerWaalsContact CD1-CE2 3.43Å; L76-F137 HydrophobicContact CG-CD2 4.3Å; Y80-F137 HydrophobicContact CD2-CB 4.01Å; Y80-F137 HydrophobicContact CE2-CB 3.67Å; Y80-F137 HydrophobicContact CE2-CD2 4.47Å; Y80-F137 VanDerWaalsContact CE2-N 3.35Å; W129-F137 AromaticContact CZ2-CE2 3.75Å; W129-F137 HydrophobicContact CZ2-CE2 3.75Å; W129-F137 HydrophobicContact CZ2-CZ 4.23Å; W129-F137 AromaticContact NE1-CE2 3.79Å; F137-P139 HydrophobicContact CE1-CB 4.26Å; F137-P139 HydrophobicContact CZ-CB 4.49Å | ||
| 138 | K | 91.3 | Very high | 90.5 | Very high | 107 Ų | 107 | 39.7 Ų | 39.7 | 47% | 0.465 | 22% | 0.22 | S | C | . | . | trans | -107.8 | 134.5 | 167 | -69 | 179.3 | -179.4 | 170.2 | 0 | 108.9 | W129 E134 A136 | W129-K138 PolarHBondContact NE1-O 2.92Å; E134-K138 IonicContact OE1-NZ 2.65Å; E134-K138 PolarHBondContact OE1-NZ 3.2Å; A136-K138 PolarHBondContact O-N 3.46Å | ||
| 139 | P | 90.3 | Very high | 90.7 | Very high | 41 Ų | 41 | 34.5 Ų | 34.5 | 27% | 0.266 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -69 | 156.3 | -176.9 | 34 | -39.4 | 0 | 0 | 0 | 111.2 | P46 L65 F137 | P46-P139 HydrophobicContact CG-CB 3.62Å; P46-P139 HydrophobicContact CG-CG 4.1Å; L65-P139 WeakPolarHBondContact O-CB 3.09Å; F137-P139 HydrophobicContact CE1-CB 4.26Å; F137-P139 HydrophobicContact CZ-CB 4.49Å |
| 140 | P | 90.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 153.9 | 175.1 | 28.9 | -35.1 | 0 | 0 | 0 | 111 | P46 L65 V126 W129 I147 | P46-P140 HydrophobicContact CB-CG 4.48Å; P46-P140 VanDerWaalsContact CB-O 3.28Å; P46-P140 WeakPolarHBondContact CB-O 3.33Å; P46-P140 WeakPolarHBondContact CG-O 3.48Å; L65-P140 HydrophobicContact CB-CG 4.35Å; L65-P140 HydrophobicContact CD1-CG 4.02Å; V126-P140 HydrophobicContact CG1-CB 3.92Å; V126-P140 HydrophobicContact CG2-CB 4.36Å; W129-P140 HydrophobicContact CD2-CB 4.13Å; W129-P140 HydrophobicContact CG-CB 4.15Å; P140-I147 HydrophobicContact CB-CD1 4.2Å; P140-I147 HydrophobicContact CG-CD1 3.88Å |
| 141 | P | 86.1 | Confident | 91.1 | Very high | 57 Ų | 57 | 34.2 Ų | 34.2 | 37% | 0.37 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -56.5 | 150.8 | 168.1 | 25.9 | -35.9 | 0 | 0 | 0 | 111.4 | V126 D143 | V126-P141 VanDerWaalsContact CG1-CD 3.47Å; V126-P141 HydrophobicContact CG1-CG 3.66Å; P141-D143 PolarHBondContact O-N 2.92Å |
| 142 | A | 81.1 | Confident | 91.2 | Very high | 27 Ų | 27 | 33.3 Ų | 33.3 | 22% | 0.223 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -80.7 | 43.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P41 G42 S43 | P41-A142 WeakPolarHBondContact CA-O 3.41Å; G42-A142 PolarHBondContact N-O 3.44Å; S43-A142 WeakPolarHBondContact O-CB 3.49Å |
| 143 | D | 82.7 | Confident | 91.2 | Very high | 99 Ų | 99 | 34.3 Ų | 34.3 | 53% | 0.529 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -91.5 | 146.7 | 169.9 | -66.3 | -38.4 | 0 | 0 | 0 | 109.1 | V39 P141 G145 T289 | V39-D143 VanDerWaalsContact CG1-O 3.28Å; V39-D143 WeakPolarHBondContact CG1-O 3.4Å; P141-D143 PolarHBondContact O-N 2.92Å; D143-G145 PolarHBondContact O-N 3.48Å; D143-T289 HydrophobicContact CB-CG2 4.38Å |
| 144 | A | 80.8 | Confident | 91.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -68.5 | 136.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y38 V39 P41 V283 Q287 T289 | Y38-A144 HydrophobicContact CE1-CB 4.37Å; V39-A144 VanDerWaalsContact O-CA 3.26Å; V39-A144 WeakPolarHBondContact O-CA 3.17Å; P41-A144 HydrophobicContact CB-CB 3.78Å; P41-A144 HydrophobicContact CG-CB 3.69Å; A144-V283 HydrophobicContact CB-CG1 3.92Å; A144-Q287 HydrophobicContact CB-CB 4.46Å; A144-Q287 WeakPolarHBondContact CB-O 3.25Å; A144-Q287 PolarHBondContact N-O 3.03Å; A144-T289 WeakPolarHBondContact O-CB 3.2Å; A144-T289 WeakPolarHBondContact O-CG2 3.35Å; A144-T289 PolarHBondContact O-N 3.03Å; A144-T289 PolarHBondContact O-OG1 2.94Å |
| 145 | G | 88.6 | Confident | 91.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | 178.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y38 V39 S125 D143 T289 | Y38-G145 CarbonylContact C-O 3.53Å; Y38-G145 WeakPolarHBondContact CA-O 3.47Å; V39-G145 PolarHBondContact N-O 2.78Å; V39-G145 PolarHBondContact O-N 3.4Å; S125-G145 VanDerWaalsContact OG-CA 3.29Å; S125-G145 WeakPolarHBondContact OG-CA 3.37Å; D143-G145 PolarHBondContact O-N 3.48Å; G145-T289 VanDerWaalsContact CA-OG1 3.28Å; G145-T289 WeakPolarHBondContact CA-OG1 3.42Å |
| 146 | L | 92.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.2 | 179.7 | -78.4 | 166.4 | 0 | 0 | 0 | 110 | V36 F37 Y38 H124 S125 A290 W292 I306 W333 | V36-L146 HydrophobicContact CG1-CD2 4.01Å; F37-L146 WeakPolarHBondContact O-CA 3.4Å; Y38-L146 HydrophobicContact CD2-CD2 3.59Å; Y38-L146 HydrophobicContact CD2-CG 3.99Å; Y38-L146 HydrophobicContact CE2-CD2 4.42Å; Y38-L146 HydrophobicContact CE2-CG 4.37Å; Y38-L146 HydrophobicContact CG-CD2 4.2Å; H124-L146 CarbonylContact C-O 3.41Å; H124-L146 WeakPolarHBondContact CA-O 3.33Å; S125-L146 PolarHBondContact N-O 2.85Å; S125-L146 PolarHBondContact OG-N 3.49Å; L146-A290 HydrophobicContact CB-CB 3.95Å; L146-A290 HydrophobicContact CD1-CB 3.78Å; L146-A290 HydrophobicContact CG-CB 3.89Å; L146-W292 HydrophobicContact CD1-CB 4.19Å; L146-W292 HydrophobicContact CD1-CG 4.31Å; L146-I306 HydrophobicContact CB-CD1 3.35Å; L146-I306 HydrophobicContact CD1-CD1 3.42Å; L146-I306 VanDerWaalsContact CD1-CD1 3.42Å; L146-I306 HydrophobicContact CD1-CG1 3.99Å; L146-I306 HydrophobicContact CD2-CD1 4.37Å; L146-I306 HydrophobicContact CG-CD1 3.88Å; L146-W333 HydrophobicContact CD2-CZ2 4.33Å |
| 147 | I | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 123.4 | 167.2 | -56.5 | 170.3 | 0 | 0 | 0 | 106.3 | F37 V39 L65 L72 L122 I123 H124 V126 W129 P140 | F37-I147 HydrophobicContact CB-CB 4.3Å; F37-I147 HydrophobicContact CD2-CB 4.44Å; F37-I147 HydrophobicContact CD2-CG2 4.43Å; F37-I147 PolarHBondContact N-O 3.16Å; F37-I147 PolarHBondContact O-N 3.46Å; V39-I147 HydrophobicContact CG2-CD1 3.89Å; V39-I147 HydrophobicContact CG2-CG1 4.21Å; L65-I147 HydrophobicContact CD1-CD1 4.41Å; L72-I147 HydrophobicContact CD1-CD1 3.67Å; L72-I147 HydrophobicContact CD1-CG2 4.08Å; L72-I147 HydrophobicContact CD2-CG2 4.08Å; L122-I147 HydrophobicContact CD2-CG2 4.25Å; I123-I147 CarbonylContact O-C 3.59Å; I123-I147 WeakPolarHBondContact O-CA 3.3Å; H124-I147 HydrophobicContact CB-CB 4.34Å; H124-I147 HydrophobicContact CB-CG1 3.9Å; H124-I147 HydrophobicContact CB-CG2 4.36Å; V126-I147 HydrophobicContact CG2-CD1 4.07Å; V126-I147 HydrophobicContact CG2-CG1 3.92Å; W129-I147 HydrophobicContact CH2-CD1 4.14Å; W129-I147 HydrophobicContact CH2-CG2 4.25Å; W129-I147 HydrophobicContact CZ3-CD1 4.25Å; W129-I147 HydrophobicContact CZ3-CG2 4.4Å; P140-I147 HydrophobicContact CB-CD1 4.2Å; P140-I147 HydrophobicContact CG-CD1 3.88Å |
| 148 | V | 95.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.9 | -180 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | S35 V36 L122 I123 I150 I306 W322 | S35-V148 CarbonylContact O-C 3.48Å; S35-V148 VanDerWaalsContact O-CA 3.3Å; S35-V148 WeakPolarHBondContact O-CA 3.17Å; V36-V148 HydrophobicContact CB-CG2 4.12Å; V36-V148 HydrophobicContact CG1-CG2 3.83Å; V36-V148 HydrophobicContact CG2-CB 4.48Å; V36-V148 HydrophobicContact CG2-CG1 3.97Å; V36-V148 HydrophobicContact CG2-CG2 3.83Å; L122-V148 CarbonylContact C-O 3.59Å; L122-V148 VanDerWaalsContact CA-O 3.26Å; L122-V148 WeakPolarHBondContact CA-O 3.25Å; I123-V148 PolarHBondContact N-O 3.21Å; I123-V148 PolarHBondContact O-N 2.81Å; V148-I150 HydrophobicContact CG1-CD1 3.99Å; V148-I150 HydrophobicContact CG1-CG1 4.46Å; V148-I306 HydrophobicContact CG2-CD1 3.64Å; V148-W322 HydrophobicContact CB-CH2 3.35Å; V148-W322 HydrophobicContact CB-CZ2 3.75Å; V148-W322 HydrophobicContact CB-CZ3 4.29Å; V148-W322 HydrophobicContact CG1-CH2 3.44Å; V148-W322 VanDerWaalsContact CG1-CH2 3.44Å; V148-W322 HydrophobicContact CG1-CZ2 4.22Å; V148-W322 HydrophobicContact CG1-CZ3 3.88Å; V148-W322 HydrophobicContact CG2-CH2 3.45Å; V148-W322 VanDerWaalsContact CG2-CH2 3.45Å; V148-W322 HydrophobicContact CG2-CZ2 3.99Å |
| 149 | C | 97.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.5 | 177 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | C24 W34 S35 W121 L122 | C24-C149 WeakPolarHBondContact CA-SG 3.49Å; C24-C149 HydrophobicContact CB-CB 3.68Å; C24-C149 WeakPolarHBondContact CB-SG 3.39Å; C24-C149 VanDerWaalsContact SG-CA 3.57Å; C24-C149 WeakPolarHBondContact SG-CB 3.35Å; C24-C149 PolarHBondContact SG-O 3.37Å; C24-C149 CovalentContact SG-SG 2.03Å; C24-C149 PolarHBondContact SG-SG 2.97Å; W34-C149 CarbonylContact C-O 3.42Å; W34-C149 WeakPolarHBondContact CA-O 3.33Å; W34-C149 WeakPolarHBondContact CB-O 3.29Å; S35-C149 PolarHBondContact N-O 3.13Å; S35-C149 PolarHBondContact O-N 3.24Å; W121-C149 CarbonylContact O-C 3.54Å; W121-C149 WeakPolarHBondContact O-CA 3.43Å; L122-C149 HydrophobicContact CD2-CB 3.56Å |
| 150 | I | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.5 | 172 | -53.7 | -61.3 | 0 | 0 | 0 | 108.6 | C24 W34 W120 W121 I123 V148 L152 N212 V218 | C24-I150 PolarHBondContact SG-N 2.83Å; W34-I150 HydrophobicContact CB-CD1 3.63Å; W120-I150 CarbonylContact C-O 3.52Å; W120-I150 WeakPolarHBondContact CA-O 3.38Å; W121-I150 HydrophobicContact CE3-CB 4.36Å; W121-I150 HydrophobicContact CE3-CG1 4.33Å; W121-I150 PolarHBondContact N-O 2.7Å; W121-I150 PolarHBondContact O-N 3.33Å; I123-I150 HydrophobicContact CD1-CG1 4.29Å; V148-I150 HydrophobicContact CG1-CD1 3.99Å; V148-I150 HydrophobicContact CG1-CG1 4.46Å; I150-L152 PolarHBondContact O-N 2.88Å; I150-N212 HydrophobicContact CG2-CB 3.58Å; I150-V218 HydrophobicContact CD1-CG2 4.45Å; I150-V218 HydrophobicContact CG2-CG2 4.28Å |
| 151 | T | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 116 | 172 | -62 | 0 | 0 | 0 | 0 | 108.5 | K23 C24 A32 D33 G119 N212 I213 | K23-T151 HydrophobicContact CB-CG2 3.98Å; K23-T151 HydrophobicContact CD-CG2 4.12Å; K23-T151 HydrophobicContact CG-CG2 3.65Å; C24-T151 WeakPolarHBondContact CB-OG1 3.21Å; C24-T151 PolarHBondContact N-OG1 2.91Å; C24-T151 PolarHBondContact SG-N 2.8Å; C24-T151 PolarHBondContact SG-OG1 3.41Å; C24-T151 VanDerWaalsContact SG-OG1 3.42Å; A32-T151 PolarHBondContact O-OG1 2.89Å; D33-T151 WeakPolarHBondContact O-CB 3.33Å; D33-T151 PolarHBondContact O-N 3.43Å; G119-T151 CarbonylContact O-C 3.59Å; G119-T151 WeakPolarHBondContact O-CA 3.33Å; T151-N212 WeakPolarHBondContact O-CB 3.37Å; T151-I213 HydrophobicContact CG2-CB 4Å; T151-I213 HydrophobicContact CG2-CD1 4.22Å; T151-I213 HydrophobicContact CG2-CG2 3.54Å; T151-I213 PolarHBondContact O-N 3.17Å |
| 152 | L | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.3 | -164.3 | -169.1 | 63.5 | 0 | 0 | 0 | 111.1 | L112 G119 W121 I150 Q156 M157 W160 I210 | L112-L152 HydrophobicContact CD1-CD2 4.12Å; G119-L152 PolarHBondContact N-O 3.43Å; G119-L152 PolarHBondContact O-N 3.43Å; W121-L152 HydrophobicContact CB-CD2 4.42Å; I150-L152 PolarHBondContact O-N 2.88Å; L152-Q156 HydrophobicContact CD1-CB 3.6Å; L152-Q156 HydrophobicContact CD1-CG 4.18Å; L152-Q156 HydrophobicContact CG-CB 4.11Å; L152-M157 HydrophobicContact CD2-CG 3.91Å; L152-M157 HydrophobicContact CG-CG 4.27Å; L152-M157 VanDerWaalsContact O-CE 3.29Å; L152-M157 WeakPolarHBondContact O-CE 3.4Å; L152-W160 HydrophobicContact CD2-CB 4.28Å; L152-W160 HydrophobicContact CD2-CG 4.3Å; L152-I210 HydrophobicContact CD1-CD1 3.71Å; L152-I210 HydrophobicContact CD2-CD1 4.5Å |
| 153 | P | 96 | Very high | 94.2 | Very high | 22 Ų | 22 | 22.1 Ų | 22.1 | 14% | 0.143 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 145.9 | 171.7 | -20.2 | 33.1 | 0 | 0 | 0 | 112 | D118 D155 Q156 I213 | D118-P153 WeakPolarHBondContact OD1-CA 3.12Å; P153-D155 PolarHBondContact O-N 2.77Å; P153-Q156 HydrophobicContact CB-CG 4.33Å; P153-Q156 HydrophobicContact CG-CG 4.36Å; P153-Q156 PolarHBondContact O-N 3.25Å; P153-I213 HydrophobicContact CG-CB 4.31Å |
| 154 | F | 94.3 | Very high | 94.7 | Very high | 35 Ų | 35 | 17.4 Ų | 17.4 | 15% | 0.154 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59 | -30.7 | -178.3 | 178.4 | -109.7 | 0 | 0 | 0 | 113.7 | Y114 N117 Q156 M157 T182 K187 | Y114-F154 AromaticContact CD2-CD2 3.92Å; Y114-F154 HydrophobicContact CD2-CD2 3.92Å; Y114-F154 HydrophobicContact CD2-CE2 4.28Å; Y114-F154 AromaticContact CE2-CD2 3.59Å; Y114-F154 HydrophobicContact CE2-CD2 3.59Å; Y114-F154 AromaticContact CE2-CE2 3.48Å; Y114-F154 HydrophobicContact CE2-CE2 3.48Å; Y114-F154 VanDerWaalsContact CE2-CE2 3.48Å; Y114-F154 AromaticContact CZ-CE2 3.95Å; N117-F154 WeakPolarHBondContact O-CB 3.4Å; N117-F154 PolarHBondContact O-N 3.45Å; F154-Q156 PolarHBondContact O-N 3.43Å; F154-M157 HydrophobicContact CB-CE 4.44Å; F154-M157 HydrophobicContact CB-SD 4.42Å; F154-M157 HydrophobicContact CD2-SD 3.72Å; F154-M157 WeakPolarHBondContact O-CB 3.37Å; F154-M157 PolarHBondContact O-N 2.98Å; F154-T182 HydrophobicContact CE1-CG2 4.19Å; F154-T182 HydrophobicContact CE2-CG2 4.46Å; F154-T182 HydrophobicContact CZ-CG2 4.17Å; F154-K187 HydrophobicContact CE2-CG 4.49Å; F154-K187 HydrophobicContact CZ-CD 4.45Å; F154-K187 HydrophobicContact CZ-CG 3.99Å |
| 155 | D | 94.1 | Very high | 95.2 | Very high | 111 Ų | 111 | 18.2 Ų | 18.2 | 59% | 0.594 | 9% | 0.091 | S | C | * | . | H | α-helix | trans | -69.9 | -18 | 178.9 | 72.6 | -5.8 | 0 | 0 | 0 | 114.1 | P153 | P153-D155 PolarHBondContact O-N 2.77Å |
| 156 | Q | 96.7 | Very high | 95.4 | Very high | 24 Ų | 24 | 19.9 Ų | 19.9 | 11% | 0.112 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -86.9 | -17.8 | 174.2 | -56.1 | -55 | -57.1 | 0 | 0 | 113 | L152 P153 F154 E158 K159 W160 I210 E211 | L152-Q156 HydrophobicContact CD1-CB 3.6Å; L152-Q156 HydrophobicContact CD1-CG 4.18Å; L152-Q156 HydrophobicContact CG-CB 4.11Å; P153-Q156 HydrophobicContact CB-CG 4.33Å; P153-Q156 HydrophobicContact CG-CG 4.36Å; P153-Q156 PolarHBondContact O-N 3.25Å; F154-Q156 PolarHBondContact O-N 3.43Å; Q156-E158 VanDerWaalsContact C-N 3.3Å; Q156-E158 PolarHBondContact O-N 3.11Å; Q156-K159 PolarHBondContact O-N 2.84Å; Q156-W160 PolarHBondContact O-N 2.76Å; Q156-I210 HydrophobicContact CB-CB 4.2Å; Q156-I210 HydrophobicContact CB-CG2 4.31Å; Q156-E211 WeakPolarHBondContact CG-O 3.42Å |
| 157 | M | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.1 | -30 | -171.3 | -65 | -178.6 | -171.6 | 0 | 0 | 112.9 | L112 Y114 L152 F154 W160 A161 L190 | L112-M157 HydrophobicContact CD1-CE 4.35Å; L112-M157 HydrophobicContact CD1-CG 4.4Å; L112-M157 HydrophobicContact CD1-SD 4.3Å; L112-M157 HydrophobicContact CD2-CG 4.39Å; L112-M157 HydrophobicContact CD2-SD 4.19Å; Y114-M157 HydrophobicContact CD1-CE 4.21Å; Y114-M157 HydrophobicContact CD1-SD 3.65Å; Y114-M157 HydrophobicContact CD2-CE 4.25Å; Y114-M157 HydrophobicContact CD2-SD 3.93Å; Y114-M157 HydrophobicContact CE1-SD 3.95Å; Y114-M157 HydrophobicContact CE2-SD 4.23Å; Y114-M157 HydrophobicContact CG-CE 3.79Å; Y114-M157 HydrophobicContact CG-SD 3.65Å; L152-M157 HydrophobicContact CD2-CG 3.91Å; L152-M157 HydrophobicContact CG-CG 4.27Å; L152-M157 VanDerWaalsContact O-CE 3.29Å; L152-M157 WeakPolarHBondContact O-CE 3.4Å; F154-M157 HydrophobicContact CB-CE 4.44Å; F154-M157 HydrophobicContact CB-SD 4.42Å; F154-M157 HydrophobicContact CD2-SD 3.72Å; F154-M157 WeakPolarHBondContact O-CB 3.37Å; F154-M157 PolarHBondContact O-N 2.98Å; M157-W160 WeakPolarHBondContact O-CB 3.33Å; M157-W160 PolarHBondContact O-N 3Å; M157-A161 VanDerWaalsContact O-CB 3.25Å; M157-A161 WeakPolarHBondContact O-CB 3.42Å; M157-A161 PolarHBondContact O-N 2.55Å; M157-L190 HydrophobicContact CB-CD1 4.33Å |
| 158 | E | 95.7 | Very high | 94.7 | Very high | 52 Ų | 52 | 22.7 Ų | 22.7 | 24% | 0.243 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 175.6 | -169.1 | 71.9 | -164.1 | 0 | 0 | 111.8 | Q156 A161 T162 K187 R189 | Q156-E158 VanDerWaalsContact C-N 3.3Å; Q156-E158 PolarHBondContact O-N 3.11Å; E158-A161 PolarHBondContact O-N 3.12Å; E158-T162 WeakPolarHBondContact O-CB 3.29Å; E158-T162 PolarHBondContact O-N 3.42Å; E158-T162 PolarHBondContact O-OG1 3.06Å; E158-K187 WeakPolarHBondContact OE2-CB 3.26Å; E158-K187 WeakPolarHBondContact OE2-CD 3.43Å; E158-R189 WeakPolarHBondContact OE1-CB 3.35Å; E158-R189 PolarHBondContact OE1-N 3.05Å |
| 159 | K | 96.9 | Very high | 94.4 | Very high | 84 Ų | 84 | 23.5 Ų | 23.5 | 37% | 0.365 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -65.1 | -45.2 | 176.2 | -68.3 | -178 | -178.8 | 176.5 | 0 | 110.6 | Q156 A161 T162 V163 I210 | Q156-K159 PolarHBondContact O-N 2.84Å; K159-A161 PolarHBondContact O-N 2.83Å; K159-T162 WeakPolarHBondContact O-CB 2.83Å; K159-T162 PolarHBondContact O-N 3.41Å; K159-V163 PolarHBondContact O-N 2.91Å; K159-V163 VanDerWaalsContact O-N 3.14Å; K159-I210 HydrophobicContact CB-CG2 3.78Å; K159-I210 HydrophobicContact CD-CG2 4.35Å |
| 160 | W | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -53.8 | -53.1 | 172.6 | 168.9 | 87.8 | 0 | 0 | 0 | 111.3 | Y91 L112 W121 L152 Q156 M157 T162 V163 V164 L190 L193 I210 L220 | Y91-W160 HydrophobicContact CE1-CH2 4.08Å; Y91-W160 AromaticContact CE1-CZ2 3.77Å; Y91-W160 HydrophobicContact CE1-CZ2 3.77Å; L112-W160 HydrophobicContact CB-CH2 3.59Å; L112-W160 HydrophobicContact CB-CZ2 3.83Å; L112-W160 HydrophobicContact CB-CZ3 4.14Å; L112-W160 HydrophobicContact CD2-CD2 4.46Å; L112-W160 HydrophobicContact CD2-CE3 3.74Å; L112-W160 HydrophobicContact CD2-CH2 3.79Å; L112-W160 HydrophobicContact CD2-CZ2 4.44Å; L112-W160 HydrophobicContact CD2-CZ3 3.4Å; L112-W160 HydrophobicContact CG-CH2 4.25Å; L112-W160 HydrophobicContact CG-CZ3 4.32Å; W121-W160 AromaticContact CD1-NE1 3.72Å; W121-W160 AromaticContact CD2-CD1 3.69Å; W121-W160 AromaticContact CD2-NE1 3.19Å; W121-W160 AromaticContact CE2-CD1 3.83Å; W121-W160 AromaticContact CE2-NE1 3.02Å; W121-W160 AromaticContact CE3-CD1 3.68Å; W121-W160 AromaticContact CE3-NE1 3.69Å; W121-W160 AromaticContact CG-NE1 3.65Å; W121-W160 AromaticContact CH2-CD1 3.96Å; W121-W160 AromaticContact CH2-NE1 3.87Å; W121-W160 AromaticContact CZ2-CD1 3.95Å; W121-W160 AromaticContact CZ2-NE1 3.38Å; W121-W160 AromaticContact CZ3-CD1 3.83Å; W121-W160 AromaticContact NE1-CE2 3.96Å; W121-W160 AromaticContact NE1-CZ2 3.95Å; W121-W160 AromaticContact NE1-NE1 3.38Å; L152-W160 HydrophobicContact CD2-CB 4.28Å; L152-W160 HydrophobicContact CD2-CG 4.3Å; Q156-W160 PolarHBondContact O-N 2.76Å; M157-W160 WeakPolarHBondContact O-CB 3.33Å; M157-W160 PolarHBondContact O-N 3Å; W160-T162 PolarHBondContact O-N 3.16Å; W160-V163 PolarHBondContact O-N 3Å; W160-V163 VanDerWaalsContact O-N 3.13Å; W160-V164 HydrophobicContact CD2-CG2 4.01Å; W160-V164 HydrophobicContact CG-CG2 4.35Å; W160-V164 HydrophobicContact CH2-CG1 4.22Å; W160-V164 HydrophobicContact CH2-CG2 4.46Å; W160-V164 HydrophobicContact CZ2-CB 4.47Å; W160-V164 HydrophobicContact CZ2-CG1 4.26Å; W160-V164 HydrophobicContact CZ2-CG2 3.85Å; W160-V164 WeakPolarHBondContact O-CB 3.22Å; W160-V164 WeakPolarHBondContact O-CG2 3.43Å; W160-V164 PolarHBondContact O-N 2.99Å; W160-L190 HydrophobicContact CE3-CD2 4.12Å; W160-L190 HydrophobicContact CZ3-CD2 3.84Å; W160-L193 HydrophobicContact CH2-CD1 4.23Å; W160-L193 HydrophobicContact CZ3-CD1 3.82Å; W160-I210 HydrophobicContact CB-CD1 4.46Å; W160-L220 HydrophobicContact CB-CD1 4.29Å |
| 161 | A | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.9 | -36.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M157 E158 K159 V164 Y165 R189 L190 L193 | M157-A161 VanDerWaalsContact O-CB 3.25Å; M157-A161 WeakPolarHBondContact O-CB 3.42Å; M157-A161 PolarHBondContact O-N 2.55Å; E158-A161 PolarHBondContact O-N 3.12Å; K159-A161 PolarHBondContact O-N 2.83Å; A161-V164 PolarHBondContact O-N 3.07Å; A161-Y165 WeakPolarHBondContact O-CB 3.05Å; A161-Y165 PolarHBondContact O-N 2.88Å; A161-R189 HydrophobicContact CB-CB 4.06Å; A161-R189 HydrophobicContact CB-CG 4.01Å; A161-L190 HydrophobicContact CB-CD2 3.77Å; A161-L190 HydrophobicContact CB-CG 4.17Å; A161-L193 HydrophobicContact CB-CD1 3.9Å |
| 162 | T | 94.9 | Very high | 93.9 | Very high | 32 Ų | 32 | 29 Ų | 29 | 20% | 0.196 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.6 | -50 | 176.9 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | E158 K159 W160 Y165 Y166 R189 K206 | E158-T162 WeakPolarHBondContact O-CB 3.29Å; E158-T162 PolarHBondContact O-N 3.42Å; E158-T162 PolarHBondContact O-OG1 3.06Å; K159-T162 WeakPolarHBondContact O-CB 2.83Å; K159-T162 PolarHBondContact O-N 3.41Å; W160-T162 PolarHBondContact O-N 3.16Å; T162-Y165 PolarHBondContact O-N 3.37Å; T162-Y166 VanDerWaalsContact O-CD2 3.22Å; T162-Y166 WeakPolarHBondContact O-CD2 3.42Å; T162-R189 VanDerWaalsContact CA-CG 3.41Å; T162-R189 WeakPolarHBondContact OG1-CG 3.46Å; T162-K206 HydrophobicContact CG2-CG 4.22Å |
| 163 | V | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.2 | -39.8 | 179.4 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | K159 W160 Y165 Y166 K206 D208 L220 G222 | K159-V163 PolarHBondContact O-N 2.91Å; K159-V163 VanDerWaalsContact O-N 3.14Å; W160-V163 PolarHBondContact O-N 3Å; W160-V163 VanDerWaalsContact O-N 3.13Å; V163-Y165 VanDerWaalsContact C-N 3.25Å; V163-Y165 PolarHBondContact O-N 2.96Å; V163-Y166 PolarHBondContact O-N 2.77Å; V163-K206 HydrophobicContact CG2-CG 4.24Å; V163-D208 HydrophobicContact CG2-CB 3.62Å; V163-L220 HydrophobicContact CB-CB 3.91Å; V163-L220 HydrophobicContact CB-CD1 4.23Å; V163-L220 HydrophobicContact CG1-CB 3.62Å; V163-L220 HydrophobicContact CG2-CB 3.99Å; V163-L220 HydrophobicContact CG2-CD1 4.37Å; V163-G222 VanDerWaalsContact CG1-N 3.25Å |
| 164 | V | 93.1 | Very high | 94 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -30.8 | 177.2 | 164.3 | 0 | 0 | 0 | 0 | 112.4 | Y91 W160 A161 Y166 Q167 P169 L193 | Y91-V164 HydrophobicContact CE1-CG1 4.25Å; W160-V164 HydrophobicContact CD2-CG2 4.01Å; W160-V164 HydrophobicContact CG-CG2 4.35Å; W160-V164 HydrophobicContact CH2-CG1 4.22Å; W160-V164 HydrophobicContact CH2-CG2 4.46Å; W160-V164 HydrophobicContact CZ2-CB 4.47Å; W160-V164 HydrophobicContact CZ2-CG1 4.26Å; W160-V164 HydrophobicContact CZ2-CG2 3.85Å; W160-V164 WeakPolarHBondContact O-CB 3.22Å; W160-V164 WeakPolarHBondContact O-CG2 3.43Å; W160-V164 PolarHBondContact O-N 2.99Å; A161-V164 PolarHBondContact O-N 3.07Å; V164-Y166 VanDerWaalsContact C-N 3.35Å; V164-Q167 VanDerWaalsContact CA-NE2 3.27Å; V164-Q167 VanDerWaalsContact CG1-NE2 3.28Å; V164-Q167 WeakPolarHBondContact O-CG 3.36Å; V164-Q167 PolarHBondContact O-N 3.38Å; V164-Q167 PolarHBondContact O-NE2 2.85Å; V164-P169 HydrophobicContact CG1-CG 4.13Å; V164-P169 VanDerWaalsContact O-CD 3.26Å; V164-P169 WeakPolarHBondContact O-CD 3.2Å; V164-P169 WeakPolarHBondContact O-CG 3.32Å; V164-L193 HydrophobicContact CG1-CD1 3.88Å; V164-L193 HydrophobicContact CG1-CD2 3.92Å |
| 165 | Y | 92.8 | Very high | 94 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.5 | -34.2 | 174.2 | -172.4 | -80.9 | 0 | 0 | 0 | 112.7 | A161 T162 V163 Q167 D168 R189 A192 L193 E198 V200 | A161-Y165 WeakPolarHBondContact O-CB 3.05Å; A161-Y165 PolarHBondContact O-N 2.88Å; T162-Y165 PolarHBondContact O-N 3.37Å; V163-Y165 VanDerWaalsContact C-N 3.25Å; V163-Y165 PolarHBondContact O-N 2.96Å; Y165-Q167 PolarHBondContact O-N 2.87Å; Y165-D168 PolarHBondContact O-N 2.9Å; Y165-R189 VanDerWaalsContact CB-CZ 3.41Å; Y165-A192 HydrophobicContact CD2-CB 4.09Å; Y165-A192 HydrophobicContact CE2-CB 3.88Å; Y165-A192 WeakPolarHBondContact CE2-O 3.43Å; Y165-L193 HydrophobicContact CD2-CD2 4.02Å; Y165-L193 HydrophobicContact CG-CD2 4.45Å; Y165-E198 PolarHBondContact OH-N 2.95Å; Y165-V200 HydrophobicContact CD1-CG2 4.3Å; Y165-V200 HydrophobicContact CE1-CG2 3.59Å |
| 166 | Y | 91.6 | Very high | 94.1 | Very high | 35 Ų | 35 | 31.6 Ų | 31.6 | 14% | 0.137 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 13.4 | 178.6 | -83 | -106.8 | 0 | 0 | 0 | 113.2 | T162 V163 V164 V200 P203 K206 M223 L224 | T162-Y166 VanDerWaalsContact O-CD2 3.22Å; T162-Y166 WeakPolarHBondContact O-CD2 3.42Å; V163-Y166 PolarHBondContact O-N 2.77Å; V164-Y166 VanDerWaalsContact C-N 3.35Å; Y166-V200 HydrophobicContact CE1-CG1 3.81Å; Y166-P203 VanDerWaalsContact CE1-O 3.31Å; Y166-P203 WeakPolarHBondContact CE1-O 3.1Å; Y166-K206 HydrophobicContact CD1-CB 3.7Å; Y166-K206 HydrophobicContact CD2-CB 3.74Å; Y166-K206 HydrophobicContact CD2-CG 4.18Å; Y166-K206 HydrophobicContact CE1-CB 4.08Å; Y166-K206 HydrophobicContact CE2-CB 4.12Å; Y166-K206 HydrophobicContact CE2-CG 4.28Å; Y166-K206 HydrophobicContact CG-CB 3.49Å; Y166-K206 VanDerWaalsContact CG-CB 3.49Å; Y166-K206 HydrophobicContact CG-CG 4.41Å; Y166-M223 CarbonylContact O-C 3.56Å; Y166-M223 WeakPolarHBondContact O-CA 3.35Å; Y166-M223 PolarHBondContact O-N 2.83Å; Y166-M223 VanDerWaalsContact O-N 3.11Å; Y166-L224 VanDerWaalsContact C-CD2 3.48Å; Y166-L224 HydrophobicContact CD1-CD1 4.18Å; Y166-L224 HydrophobicContact CD1-CG 4.4Å; Y166-L224 WeakPolarHBondContact O-CD2 3.43Å; Y166-L224 WeakPolarHBondContact O-CG 3.3Å; Y166-L224 PolarHBondContact O-N 3.31Å |
| 167 | Q | 84.3 | Confident | 94 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -9.5 | 170.3 | -22.9 | 160.1 | 86.2 | 0 | 0 | 112.3 | S106 V164 Y165 P318 I320 | S106-Q167 WeakPolarHBondContact CB-O 3.31Å; S106-Q167 PolarHBondContact N-O 3.43Å; V164-Q167 VanDerWaalsContact CA-NE2 3.27Å; V164-Q167 VanDerWaalsContact CG1-NE2 3.28Å; V164-Q167 WeakPolarHBondContact O-CG 3.36Å; V164-Q167 PolarHBondContact O-N 3.38Å; V164-Q167 PolarHBondContact O-NE2 2.85Å; Y165-Q167 PolarHBondContact O-N 2.87Å; Q167-P318 WeakPolarHBondContact O-CB 3.37Å; Q167-I320 HydrophobicContact CG-CB 4.04Å; Q167-I320 HydrophobicContact CG-CD1 4.07Å |
| 168 | D | 88.1 | Confident | 93.6 | Very high | 60 Ų | 60 | 35.5 Ų | 35.5 | 32% | 0.321 | 19% | 0.185 | S | C | . | . | trans | 50.8 | 58.8 | -167.9 | -169.1 | 38 | 0 | 0 | 0 | 112.9 | S106 Y165 L224 P318 | S106-D168 PolarHBondContact N-O 2.9Å; S106-D168 VanDerWaalsContact N-O 3.11Å; Y165-D168 PolarHBondContact O-N 2.9Å; D168-L224 HydrophobicContact CB-CD2 4.04Å; D168-P318 HydrophobicContact CB-CG 4.12Å | ||
| 169 | P | 90.9 | Very high | 93 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -73 | 146.9 | -175.9 | 31.3 | -35.3 | 0 | 0 | 0 | 112 | Y91 V164 V171 L193 | Y91-P169 HydrophobicContact CD2-CB 4.32Å; Y91-P169 HydrophobicContact CG-CB 4.12Å; V164-P169 HydrophobicContact CG1-CG 4.13Å; V164-P169 VanDerWaalsContact O-CD 3.26Å; V164-P169 WeakPolarHBondContact O-CD 3.2Å; V164-P169 WeakPolarHBondContact O-CG 3.32Å; P169-V171 HydrophobicContact CG-CG2 4.48Å; P169-V171 PolarHBondContact O-N 3.47Å; P169-V171 VanDerWaalsContact O-N 3.11Å; P169-L193 HydrophobicContact CG-CD2 4.03Å |
| 170 | V | 92 | Very high | 92.6 | Very high | 28 Ų | 28 | 38.3 Ų | 38.3 | 17% | 0.17 | 21% | 0.209 | C | C | . | . | trans | -81.9 | 89.5 | 171.8 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | Y91 N92 Y172 | Y91-V170 CarbonylContact C-O 3.57Å; Y91-V170 WeakPolarHBondContact CA-O 3.17Å; Y91-V170 WeakPolarHBondContact CB-O 3.44Å; N92-V170 PolarHBondContact N-O 3.19Å; N92-V170 WeakPolarHBondContact O-CB 3.4Å; V170-Y172 PolarHBondContact O-N 3Å | ||
| 171 | V | 94.7 | Very high | 92.3 | Very high | 40 Ų | 40 | 42.6 Ų | 42.6 | 24% | 0.242 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 113 | 172.1 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | I89 A90 P169 F174 L193 | I89-V171 HydrophobicContact CG2-CG1 4.07Å; I89-V171 HydrophobicContact CG2-CG2 4.09Å; A90-V171 WeakPolarHBondContact O-CA 3.29Å; P169-V171 HydrophobicContact CG-CG2 4.48Å; P169-V171 PolarHBondContact O-N 3.47Å; P169-V171 VanDerWaalsContact O-N 3.11Å; V171-F174 HydrophobicContact CG1-CB 4.45Å; V171-F174 HydrophobicContact CG1-CD1 4.11Å; V171-L193 WeakPolarHBondContact CG2-O 3.21Å |
| 172 | Y | 95.3 | Very high | 92 | Very high | 49 Ų | 49 | 43.3 Ų | 43.3 | 19% | 0.192 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -20.4 | -176.5 | 73.8 | -90.7 | 0 | 0 | 0 | 113.1 | A90 N92 P95 P96 P130 V170 | A90-Y172 HydrophobicContact CB-CD1 4.26Å; A90-Y172 HydrophobicContact CB-CE1 3.49Å; A90-Y172 VanDerWaalsContact CB-CE1 3.49Å; A90-Y172 HydrophobicContact CB-CE2 4.25Å; A90-Y172 VanDerWaalsContact CB-CZ 3.47Å; A90-Y172 WeakPolarHBondContact CB-OH 3.46Å; A90-Y172 WeakPolarHBondContact O-CD1 3.38Å; A90-Y172 PolarHBondContact O-N 2.93Å; N92-Y172 HydrophobicContact CB-CD1 3.81Å; N92-Y172 HydrophobicContact CB-CE1 3.74Å; P95-Y172 HydrophobicContact CB-CD1 3.65Å; P95-Y172 HydrophobicContact CB-CD2 3.85Å; P95-Y172 HydrophobicContact CB-CE1 4.3Å; P95-Y172 HydrophobicContact CB-CE2 4.5Å; P95-Y172 HydrophobicContact CB-CG 3.39Å; P95-Y172 HydrophobicContact CG-CG 4.26Å; P96-Y172 HydrophobicContact CG-CE2 4.37Å; P130-Y172 PolarHBondContact O-OH 2.77Å; V170-Y172 PolarHBondContact O-N 3Å |
| 173 | Y | 97.1 | Very high | 92 | Very high | 44 Ų | 44 | 42.3 Ų | 42.3 | 17% | 0.173 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 135.8 | 178.8 | -174.5 | -86.8 | 0 | 0 | 0 | 109.8 | F79 I88 A90 L132 T133 K175 | F79-Y173 AromaticContact CZ-CE1 4Å; F79-Y173 HydrophobicContact CZ-CE1 4Å; I88-Y173 HydrophobicContact CG2-CD1 3.87Å; I88-Y173 HydrophobicContact CG2-CE1 3.59Å; A90-Y173 PolarHBondContact N-O 2.83Å; A90-Y173 PolarHBondContact O-N 3.35Å; L132-Y173 HydrophobicContact CB-CD1 3.67Å; L132-Y173 HydrophobicContact CB-CD2 4.21Å; L132-Y173 HydrophobicContact CB-CE1 3.88Å; L132-Y173 HydrophobicContact CB-CE2 4.39Å; L132-Y173 HydrophobicContact CB-CG 3.85Å; L132-Y173 HydrophobicContact CD1-CD1 3.71Å; L132-Y173 HydrophobicContact CD1-CE1 4.35Å; L132-Y173 HydrophobicContact CD1-CG 4.28Å; L132-Y173 HydrophobicContact CG-CD1 4.37Å; T133-Y173 HydrophobicContact CG2-CD2 3.92Å; T133-Y173 HydrophobicContact CG2-CE2 4.2Å; Y173-K175 HydrophobicContact CE1-CB 4.45Å |
| 174 | F | 96.5 | Very high | 92 | Very high | 100 Ų | 100 | 42.3 Ų | 42.3 | 44% | 0.439 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 154.8 | 168.5 | 66.4 | -89.2 | 0 | 0 | 0 | 110.7 | I88 I89 V171 L184 T194 | I88-F174 CarbonylContact O-C 3.56Å; I88-F174 WeakPolarHBondContact O-CA 3.47Å; I88-F174 WeakPolarHBondContact O-CB 3.28Å; I89-F174 HydrophobicContact CG1-CB 4.26Å; V171-F174 HydrophobicContact CG1-CB 4.45Å; V171-F174 HydrophobicContact CG1-CD1 4.11Å; F174-L184 HydrophobicContact CB-CD1 4.31Å; F174-L184 HydrophobicContact CD2-CD1 4.42Å; F174-T194 HydrophobicContact CB-CG2 4.12Å; F174-T194 HydrophobicContact CD1-CG2 4.33Å; F174-T194 HydrophobicContact CD2-CG2 3.77Å; F174-T194 HydrophobicContact CE2-CG2 4.25Å; F174-T194 HydrophobicContact CG-CG2 3.82Å |
| 175 | K | 95.9 | Very high | 92.1 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 24% | 0.243 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 137.9 | 172.1 | -173.8 | 174.7 | 169.9 | 70.4 | 0 | 108.5 | K83 D84 N87 I88 Y173 L184 | K83-K175 HydrophobicContact CB-CD 4.44Å; K83-K175 WeakPolarHBondContact O-CD 3.29Å; K83-K175 WeakPolarHBondContact O-CE 3.43Å; D84-K175 VanDerWaalsContact OD1-CE 3.23Å; D84-K175 WeakPolarHBondContact OD1-CE 3.48Å; D84-K175 IonicContact OD1-NZ 3.99Å; D84-K175 PolarHBondContact OD1-NZ 2.73Å; N87-K175 CarbonylContact C-O 3.54Å; N87-K175 WeakPolarHBondContact CA-O 3.45Å; I88-K175 HydrophobicContact CG2-CB 3.81Å; I88-K175 PolarHBondContact N-O 2.89Å; I88-K175 PolarHBondContact O-N 2.84Å; Y173-K175 HydrophobicContact CE1-CB 4.45Å; K175-L184 WeakPolarHBondContact O-CD1 3.29Å |
| 176 | S | 95.7 | Very high | 92 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | trans | -119.9 | 142.1 | 177.1 | -168.7 | 0 | 0 | 0 | 0 | 109.9 | N87 A178 S183 L184 E185 | N87-S176 WeakPolarHBondContact OD1-CA 3.43Å; S176-A178 PolarHBondContact O-N 3.1Å; S176-S183 WeakPolarHBondContact OG-CB 3.32Å; S176-L184 PolarHBondContact OG-N 3.06Å; S176-E185 WeakPolarHBondContact CB-OE1 3.03Å; S176-E185 VanDerWaalsContact CB-OE2 3.32Å; S176-E185 WeakPolarHBondContact CB-OE2 3.36Å; S176-E185 PolarHBondContact OG-OE2 3.35Å | ||
| 177 | V | 94.2 | Very high | 92.1 | Very high | 28 Ų | 28 | 50 Ų | 50 | 17% | 0.17 | 29% | 0.286 | C | S | . | . | trans | -77.4 | 110.6 | 171.4 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | N87 N179 A180 S183 | N87-V177 PolarHBondContact OD1-N 3.05Å; V177-N179 PolarHBondContact O-N 2.85Å; V177-A180 HydrophobicContact CB-CB 4.06Å; V177-A180 HydrophobicContact CG1-CB 3.86Å; V177-A180 PolarHBondContact O-N 3.03Å; V177-S183 WeakPolarHBondContact O-CB 3.3Å | ||
| 178 | A | 87.8 | Confident | 92.6 | Very high | 78 Ų | 78 | 56.4 Ų | 56.4 | 65% | 0.645 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 136 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S176 A180 | S176-A178 PolarHBondContact O-N 3.1Å; A178-A180 PolarHBondContact O-N 2.83Å; A178-A180 VanDerWaalsContact O-N 3.12Å |
| 179 | N | 84.1 | Confident | 92.9 | Very high | 171 Ų | 171 | 55.6 Ų | 55.6 | 91% | 0.914 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 15.1 | 176.9 | -51.1 | -52.8 | 0 | 0 | 0 | 115.5 | V177 | V177-N179 PolarHBondContact O-N 2.85Š|
| 180 | A | 89 | Confident | 93.2 | Very high | 24 Ų | 24 | 54.7 Ų | 54.7 | 20% | 0.198 | 31% | 0.307 | C | S | . | . | trans | -82 | 144.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V177 A178 T182 S183 | V177-A180 HydrophobicContact CB-CB 4.06Å; V177-A180 HydrophobicContact CG1-CB 3.86Å; V177-A180 PolarHBondContact O-N 3.03Å; A178-A180 PolarHBondContact O-N 2.83Å; A178-A180 VanDerWaalsContact O-N 3.12Å; A180-T182 PolarHBondContact O-N 3.11Å; A180-T182 VanDerWaalsContact O-N 3.09Å; A180-S183 WeakPolarHBondContact O-CB 3.37Å; A180-S183 PolarHBondContact O-N 2.8Å; A180-S183 PolarHBondContact O-OG 3.11Å | ||
| 181 | A | 89.4 | Confident | 93.4 | Very high | 90 Ų | 90 | 57.8 Ų | 57.8 | 74% | 0.744 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -17.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S186 | A181-S186 WeakPolarHBondContact O-CB 2.88Å; A181-S186 PolarHBondContact O-OG 2.8Å |
| 182 | T | 90.6 | Very high | 93.4 | Very high | 15 Ų | 15 | 56.6 Ų | 56.6 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 3.6 | -178.1 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | N87 Y114 D116 F154 A180 | N87-T182 PolarHBondContact ND2-O 3.23Å; Y114-T182 WeakPolarHBondContact CE2-O 3.47Å; Y114-T182 VanDerWaalsContact CZ-O 3.32Å; Y114-T182 PolarHBondContact OH-O 2.81Å; D116-T182 HydrophobicContact CB-CG2 4.42Å; D116-T182 WeakPolarHBondContact O-CG2 3.47Å; D116-T182 PolarHBondContact OD1-OG1 3.26Å; F154-T182 HydrophobicContact CE1-CG2 4.19Å; F154-T182 HydrophobicContact CE2-CG2 4.46Å; F154-T182 HydrophobicContact CZ-CG2 4.17Å; A180-T182 PolarHBondContact O-N 3.11Å; A180-T182 VanDerWaalsContact O-N 3.09Å |
| 183 | S | 94.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 54.8 Ų | 54.8 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -55.1 | 154.9 | 176.1 | 60.5 | 0 | 0 | 0 | 0 | 112.1 | S176 V177 A180 E185 S186 | S176-S183 WeakPolarHBondContact OG-CB 3.32Å; V177-S183 WeakPolarHBondContact O-CB 3.3Å; A180-S183 WeakPolarHBondContact O-CB 3.37Å; A180-S183 PolarHBondContact O-N 2.8Å; A180-S183 PolarHBondContact O-OG 3.11Å; S183-E185 WeakPolarHBondContact CB-OE2 3.45Å; S183-E185 PolarHBondContact O-N 3.5Å; S183-S186 WeakPolarHBondContact O-CB 3.38Å; S183-S186 PolarHBondContact O-N 2.93Å; S183-S186 PolarHBondContact O-OG 3.28Å; S183-S186 PolarHBondContact OG-N 3.42Å |
| 184 | L | 95.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -58.2 | -29.8 | 174.8 | -63.5 | -179.7 | 0 | 0 | 0 | 111.7 | N87 I89 Y114 F174 K175 S176 S186 L190 K191 T194 | N87-L184 HydrophobicContact CB-CD2 4.16Å; N87-L184 HydrophobicContact CB-CG 4.35Å; I89-L184 HydrophobicContact CD1-CD1 4.12Å; I89-L184 HydrophobicContact CD1-CD2 3.63Å; I89-L184 HydrophobicContact CD1-CG 4.46Å; I89-L184 HydrophobicContact CG1-CD1 3.68Å; I89-L184 HydrophobicContact CG1-CD2 3.82Å; I89-L184 HydrophobicContact CG1-CG 4.43Å; Y114-L184 HydrophobicContact CE1-CD2 3.79Å; Y114-L184 WeakPolarHBondContact OH-CD2 3.21Å; F174-L184 HydrophobicContact CB-CD1 4.31Å; F174-L184 HydrophobicContact CD2-CD1 4.42Å; K175-L184 WeakPolarHBondContact O-CD1 3.29Å; S176-L184 PolarHBondContact OG-N 3.06Å; L184-S186 VanDerWaalsContact C-N 3.33Å; L184-L190 HydrophobicContact CD2-CB 4.46Å; L184-L190 WeakPolarHBondContact O-CB 3.38Å; L184-K191 PolarHBondContact O-N 3.03Å; L184-K191 VanDerWaalsContact O-N 3.09Å; L184-T194 HydrophobicContact CD1-CG2 3.96Å |
| 185 | E | 93.6 | Very high | 93.3 | Very high | 92 Ų | 92 | 52.6 Ų | 52.6 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -77.6 | -14.5 | 179.2 | -57.9 | 82.1 | -176.7 | 0 | 0 | 113.9 | S176 S183 K187 | S176-E185 WeakPolarHBondContact CB-OE1 3.03Å; S176-E185 VanDerWaalsContact CB-OE2 3.32Å; S176-E185 WeakPolarHBondContact CB-OE2 3.36Å; S176-E185 PolarHBondContact OG-OE2 3.35Å; S183-E185 WeakPolarHBondContact CB-OE2 3.45Å; S183-E185 PolarHBondContact O-N 3.5Å; E185-K187 PolarHBondContact O-N 3.14Å |
| 186 | S | 91.8 | Very high | 93 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -76.5 | -6.7 | -178.8 | 79.8 | 0 | 0 | 0 | 0 | 113.9 | A181 S183 L184 | A181-S186 WeakPolarHBondContact O-CB 2.88Å; A181-S186 PolarHBondContact O-OG 2.8Å; S183-S186 WeakPolarHBondContact O-CB 3.38Å; S183-S186 PolarHBondContact O-N 2.93Å; S183-S186 PolarHBondContact O-OG 3.28Å; S183-S186 PolarHBondContact OG-N 3.42Å; L184-S186 VanDerWaalsContact C-N 3.33Å |
| 187 | K | 93.5 | Very high | 92.6 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 30% | 0.3 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -132.9 | 112.6 | -170.4 | -78.4 | -50.2 | 180 | -178.2 | 0 | 108.4 | F154 E158 E185 R189 L190 K191 | F154-K187 HydrophobicContact CE2-CG 4.49Å; F154-K187 HydrophobicContact CZ-CD 4.45Å; F154-K187 HydrophobicContact CZ-CG 3.99Å; E158-K187 WeakPolarHBondContact OE2-CB 3.26Å; E158-K187 WeakPolarHBondContact OE2-CD 3.43Å; E185-K187 PolarHBondContact O-N 3.14Å; K187-R189 PolarHBondContact O-N 3.17Å; K187-R189 VanDerWaalsContact O-N 3.08Å; K187-L190 HydrophobicContact CB-CB 3.86Å; K187-L190 HydrophobicContact CB-CD1 3.7Å; K187-L190 HydrophobicContact CB-CG 3.95Å; K187-L190 HydrophobicContact CG-CD1 3.92Å; K187-L190 PolarHBondContact O-N 3.4Å; K187-L190 VanDerWaalsContact O-N 3.14Å; K187-K191 WeakPolarHBondContact O-CB 3.3Å; K187-K191 PolarHBondContact O-N 3.28Å |
| 188 | D | 94.9 | Very high | 92.3 | Very high | 135 Ų | 135 | 62.8 Ų | 62.8 | 72% | 0.722 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -52.2 | -40.2 | -170.7 | -74.3 | -20.1 | 0 | 0 | 0 | 111.8 | A192 | D188-A192 WeakPolarHBondContact O-CB 3.46Å; D188-A192 PolarHBondContact O-N 2.93Å |
| 189 | R | 94.9 | Very high | 92.2 | Very high | 42 Ų | 42 | 64 Ų | 64 | 16% | 0.158 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -86.7 | -25.3 | -176 | -155.3 | 35.5 | 156.1 | -162.4 | -11.7 | 115.3 | E158 A161 T162 Y165 K187 | E158-R189 WeakPolarHBondContact OE1-CB 3.35Å; E158-R189 PolarHBondContact OE1-N 3.05Å; A161-R189 HydrophobicContact CB-CB 4.06Å; A161-R189 HydrophobicContact CB-CG 4.01Å; T162-R189 VanDerWaalsContact CA-CG 3.41Å; T162-R189 WeakPolarHBondContact OG1-CG 3.46Å; Y165-R189 VanDerWaalsContact CB-CZ 3.41Å; K187-R189 PolarHBondContact O-N 3.17Å; K187-R189 VanDerWaalsContact O-N 3.08Å |
| 190 | L | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66 | -45.3 | 165 | -70.9 | 175.4 | 0 | 0 | 0 | 110.5 | I89 L112 Y114 M157 W160 A161 L184 K187 A192 L193 | I89-L190 HydrophobicContact CD1-CD2 4.09Å; L112-L190 HydrophobicContact CD2-CD2 3.9Å; Y114-L190 HydrophobicContact CE1-CD1 4.49Å; M157-L190 HydrophobicContact CB-CD1 4.33Å; W160-L190 HydrophobicContact CE3-CD2 4.12Å; W160-L190 HydrophobicContact CZ3-CD2 3.84Å; A161-L190 HydrophobicContact CB-CD2 3.77Å; A161-L190 HydrophobicContact CB-CG 4.17Å; L184-L190 HydrophobicContact CD2-CB 4.46Å; L184-L190 WeakPolarHBondContact O-CB 3.38Å; K187-L190 HydrophobicContact CB-CB 3.86Å; K187-L190 HydrophobicContact CB-CD1 3.7Å; K187-L190 HydrophobicContact CB-CG 3.95Å; K187-L190 HydrophobicContact CG-CD1 3.92Å; K187-L190 PolarHBondContact O-N 3.4Å; K187-L190 VanDerWaalsContact O-N 3.14Å; L190-A192 VanDerWaalsContact C-N 3.31Å; L190-A192 PolarHBondContact O-N 2.86Å; L190-L193 WeakPolarHBondContact O-CB 2.84Å; L190-L193 PolarHBondContact O-N 3.13Å; L190-L193 VanDerWaalsContact O-N 3.15Å |
| 191 | K | 96.1 | Very high | 92.4 | Very high | 93 Ų | 93 | 65 Ų | 65 | 40% | 0.404 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 175 | -175.5 | -176.9 | 174.8 | -176 | 0 | 112.2 | L184 K187 L193 T194 | L184-K191 PolarHBondContact O-N 3.03Å; L184-K191 VanDerWaalsContact O-N 3.09Å; K187-K191 WeakPolarHBondContact O-CB 3.3Å; K187-K191 PolarHBondContact O-N 3.28Å; K191-L193 PolarHBondContact O-N 2.79Å; K191-L193 VanDerWaalsContact O-N 3.16Å; K191-T194 PolarHBondContact O-N 2.82Å; K191-T194 PolarHBondContact O-OG1 3.31Å |
| 192 | A | 96.3 | Very high | 92.4 | Very high | 15 Ų | 15 | 65.9 Ų | 65.9 | 12% | 0.124 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63 | -21.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y165 D188 L190 T194 | Y165-A192 HydrophobicContact CD2-CB 4.09Å; Y165-A192 HydrophobicContact CE2-CB 3.88Å; Y165-A192 WeakPolarHBondContact CE2-O 3.43Å; D188-A192 WeakPolarHBondContact O-CB 3.46Å; D188-A192 PolarHBondContact O-N 2.93Å; L190-A192 VanDerWaalsContact C-N 3.31Å; L190-A192 PolarHBondContact O-N 2.86Å; A192-T194 VanDerWaalsContact C-N 3.34Å |
| 193 | L | 95.5 | Very high | 92.4 | Very high | 12 Ų | 12 | 69.1 Ų | 69.1 | 6% | 0.063 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -17.6 | 174.2 | -67.3 | 171.9 | 0 | 0 | 0 | 113 | I89 W160 A161 V164 Y165 P169 V171 L190 K191 | I89-L193 HydrophobicContact CD1-CB 4.3Å; I89-L193 HydrophobicContact CD1-CD1 4.3Å; W160-L193 HydrophobicContact CH2-CD1 4.23Å; W160-L193 HydrophobicContact CZ3-CD1 3.82Å; A161-L193 HydrophobicContact CB-CD1 3.9Å; V164-L193 HydrophobicContact CG1-CD1 3.88Å; V164-L193 HydrophobicContact CG1-CD2 3.92Å; Y165-L193 HydrophobicContact CD2-CD2 4.02Å; Y165-L193 HydrophobicContact CG-CD2 4.45Å; P169-L193 HydrophobicContact CG-CD2 4.03Å; V171-L193 WeakPolarHBondContact CG2-O 3.21Å; L190-L193 WeakPolarHBondContact O-CB 2.84Å; L190-L193 PolarHBondContact O-N 3.13Å; L190-L193 VanDerWaalsContact O-N 3.15Å; K191-L193 PolarHBondContact O-N 2.79Å; K191-L193 VanDerWaalsContact O-N 3.16Å |
| 194 | T | 95.1 | Very high | 92.3 | Very high | 25 Ų | 25 | 72.2 Ų | 72.2 | 15% | 0.153 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -101.4 | -0.3 | -176.3 | 66.8 | 0 | 0 | 0 | 0 | 113.6 | I89 F174 L184 K191 A192 | I89-T194 HydrophobicContact CD1-CG2 4.19Å; I89-T194 HydrophobicContact CG1-CG2 4.22Å; F174-T194 HydrophobicContact CB-CG2 4.12Å; F174-T194 HydrophobicContact CD1-CG2 4.33Å; F174-T194 HydrophobicContact CD2-CG2 3.77Å; F174-T194 HydrophobicContact CE2-CG2 4.25Å; F174-T194 HydrophobicContact CG-CG2 3.82Å; L184-T194 HydrophobicContact CD1-CG2 3.96Å; K191-T194 PolarHBondContact O-N 2.82Å; K191-T194 PolarHBondContact O-OG1 3.31Å; A192-T194 VanDerWaalsContact C-N 3.34Å |
| 195 | I | 94.4 | Very high | 92.1 | Very high | 73 Ų | 73 | 72.9 Ų | 72.9 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -118.5 | 164.4 | 178.1 | 65.5 | 175.5 | 0 | 0 | 0 | 110 | A197 | I195-A197 PolarHBondContact O-N 3.03Š|
| 196 | P | 90.5 | Very high | 92.1 | Very high | 115 Ų | 115 | 72.2 Ų | 72.2 | 75% | 0.747 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 134.7 | 175.4 | -27.1 | 36.3 | 0 | 0 | 0 | 112.2 | ||
| 197 | A | 86.8 | Confident | 92.2 | Very high | 67 Ų | 67 | 72.5 Ų | 72.5 | 55% | 0.554 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 139 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I195 | I195-A197 PolarHBondContact O-N 3.03Š|
| 198 | E | 88.4 | Confident | 92.4 | Very high | 139 Ų | 139 | 71.4 Ų | 71.4 | 65% | 0.65 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -98.1 | 161.7 | 178 | -64.3 | -175.1 | 167.9 | 0 | 0 | 110.2 | Y165 V200 | Y165-E198 PolarHBondContact OH-N 2.95Å; E198-V200 PolarHBondContact O-N 3.26Å |
| 199 | S | 86.6 | Confident | 92.5 | Very high | 103 Ų | 103 | 67 Ų | 67 | 72% | 0.72 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 121.3 | 175.9 | -66.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 200 | V | 88 | Confident | 92.6 | Very high | 29 Ų | 29 | 65 Ų | 65 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 132.6 | 173.1 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | Y165 Y166 E198 Y204 L224 | Y165-V200 HydrophobicContact CD1-CG2 4.3Å; Y165-V200 HydrophobicContact CE1-CG2 3.59Å; Y166-V200 HydrophobicContact CE1-CG1 3.81Å; E198-V200 PolarHBondContact O-N 3.26Å; V200-Y204 WeakPolarHBondContact O-CE1 3.12Å; V200-L224 HydrophobicContact CB-CD1 3.68Å; V200-L224 HydrophobicContact CG1-CD1 3.74Å; V200-L224 HydrophobicContact CG2-CD1 3.85Å |
| 201 | Y | 88.5 | Confident | 92.7 | Very high | 188 Ų | 188 | 69.5 Ų | 69.5 | 74% | 0.737 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -95.8 | 151.8 | 170.1 | -60.3 | -83 | 0 | 0 | 0 | 109.8 | ||
| 202 | T | 88.5 | Confident | 92.7 | Very high | 108 Ų | 108 | 65.3 Ų | 65.3 | 66% | 0.663 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -47.6 | 141.5 | 179.9 | -177.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 203 | P | 91.5 | Very high | 92.6 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | cis | -73.6 | 146.1 | 7.2 | 30.9 | -35.5 | 0 | 0 | 0 | 113.5 | Y166 A205 | Y166-P203 VanDerWaalsContact CE1-O 3.31Å; Y166-P203 WeakPolarHBondContact CE1-O 3.1Å; P203-A205 VanDerWaalsContact C-N 3.33Å |
| 204 | Y | 91.6 | Very high | 92.5 | Very high | 75 Ų | 75 | 68.8 Ų | 68.8 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | trans | -91.4 | 5.6 | 178.8 | -61.1 | -63.6 | 0 | 0 | 0 | 113.8 | V200 L224 Q226 | V200-Y204 WeakPolarHBondContact O-CE1 3.12Å; Y204-L224 HydrophobicContact CD1-CD1 4.39Å; Y204-L224 WeakPolarHBondContact O-CB 3.26Å; Y204-L224 PolarHBondContact O-N 2.87Å; Y204-Q226 HydrophobicContact CD1-CB 3.6Å; Y204-Q226 HydrophobicContact CD1-CG 4.22Å; Y204-Q226 HydrophobicContact CD2-CB 3.55Å; Y204-Q226 HydrophobicContact CE1-CB 3.82Å; Y204-Q226 HydrophobicContact CE1-CG 4.11Å; Y204-Q226 HydrophobicContact CE2-CB 3.79Å; Y204-Q226 HydrophobicContact CG-CB 3.46Å; Y204-Q226 VanDerWaalsContact CG-CB 3.46Å | ||
| 205 | A | 91 | Very high | 92.5 | Very high | 16 Ų | 16 | 69.6 Ų | 69.6 | 13% | 0.132 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 143.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | P203 G222 M223 Y235 | P203-A205 VanDerWaalsContact C-N 3.33Å; A205-G222 CarbonylContact C-O 3.53Å; A205-G222 VanDerWaalsContact CA-O 3.3Å; A205-G222 WeakPolarHBondContact CA-O 3.48Å; A205-M223 HydrophobicContact CB-CB 4.34Å; A205-M223 HydrophobicContact CB-CG 4.18Å; A205-Y235 HydrophobicContact CB-CE1 4.38Å; A205-Y235 HydrophobicContact CB-CE2 3.87Å |
| 206 | K | 93.8 | Very high | 92.6 | Very high | 78 Ų | 78 | 67.1 Ų | 67.1 | 34% | 0.339 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129.7 | -178.2 | -172.3 | 72.2 | 177.1 | -176.1 | 0 | 109.1 | T162 V163 Y166 G222 Y235 | T162-K206 HydrophobicContact CG2-CG 4.22Å; V163-K206 HydrophobicContact CG2-CG 4.24Å; Y166-K206 HydrophobicContact CD1-CB 3.7Å; Y166-K206 HydrophobicContact CD2-CB 3.74Å; Y166-K206 HydrophobicContact CD2-CG 4.18Å; Y166-K206 HydrophobicContact CE1-CB 4.08Å; Y166-K206 HydrophobicContact CE2-CB 4.12Å; Y166-K206 HydrophobicContact CE2-CG 4.28Å; Y166-K206 HydrophobicContact CG-CB 3.49Å; Y166-K206 VanDerWaalsContact CG-CB 3.49Å; Y166-K206 HydrophobicContact CG-CG 4.41Å; K206-G222 PolarHBondContact N-O 3.11Å; K206-G222 WeakPolarHBondContact O-CA 3.33Å; K206-G222 PolarHBondContact O-N 2.92Å; K206-Y235 PolarHBondContact N-OH 3.11Å; K206-Y235 PolarHBondContact O-OH 2.93Å |
| 207 | M | 94.6 | Very high | 93 | Very high | 58 Ų | 58 | 65.8 Ų | 65.8 | 29% | 0.286 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.9 | 172.4 | 176.6 | -98.6 | -111.3 | 0 | 0 | 109.2 | L220 F221 Y235 L239 | M207-L220 WeakPolarHBondContact CA-O 3.43Å; M207-L220 VanDerWaalsContact CG-O 3.24Å; M207-L220 WeakPolarHBondContact CG-O 3.07Å; M207-F221 HydrophobicContact CB-CD1 4.27Å; M207-F221 HydrophobicContact CE-CE1 3.97Å; M207-F221 HydrophobicContact CG-CD1 3.78Å; M207-F221 HydrophobicContact CG-CE1 3.74Å; M207-F221 HydrophobicContact CG-CZ 4.48Å; M207-Y235 WeakPolarHBondContact CB-OH 3.1Å; M207-Y235 PolarHBondContact N-OH 2.69Å; M207-L239 HydrophobicContact CB-CD1 4.19Å; M207-L239 HydrophobicContact CE-CB 3.62Å; M207-L239 HydrophobicContact CE-CD1 3.91Å; M207-L239 HydrophobicContact CE-CD2 4.06Å; M207-L239 HydrophobicContact CE-CG 4.06Å; M207-L239 HydrophobicContact CG-CD1 4.3Å |
| 208 | D | 96.8 | Very high | 93.5 | Very high | 45 Ų | 45 | 62.6 Ų | 62.6 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 164.2 | 171.6 | -146.6 | -31.5 | 0 | 0 | 0 | 109.3 | V163 L220 | V163-D208 HydrophobicContact CG2-CB 3.62Å; D208-L220 PolarHBondContact N-O 3.23Å; D208-L220 PolarHBondContact O-N 3.14Å |
| 209 | V | 97.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 57.1 Ų | 57.1 | 26% | 0.261 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.5 | 173.2 | -175 | 0 | 0 | 0 | 0 | 107.7 | K217 V218 H219 | V209-K217 HydrophobicContact CG1-CB 3.97Å; V209-K217 HydrophobicContact CG1-CD 4.4Å; V209-K217 HydrophobicContact CG1-CG 4.24Å; V209-V218 WeakPolarHBondContact CA-O 3.49Å; V209-H219 WeakPolarHBondContact CG2-ND1 3.23Å |
| 210 | I | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 158.3 | 173.2 | 61.2 | 172.2 | 0 | 0 | 0 | 109.5 | W121 L152 Q156 K159 W160 V218 L220 | W121-I210 HydrophobicContact CE3-CD1 4.36Å; W121-I210 HydrophobicContact CZ3-CD1 4.12Å; L152-I210 HydrophobicContact CD1-CD1 3.71Å; L152-I210 HydrophobicContact CD2-CD1 4.5Å; Q156-I210 HydrophobicContact CB-CB 4.2Å; Q156-I210 HydrophobicContact CB-CG2 4.31Å; K159-I210 HydrophobicContact CB-CG2 3.78Å; K159-I210 HydrophobicContact CD-CG2 4.35Å; W160-I210 HydrophobicContact CB-CD1 4.46Å; I210-V218 HydrophobicContact CD1-CB 4.25Å; I210-V218 HydrophobicContact CG1-CB 3.79Å; I210-V218 PolarHBondContact N-O 2.85Å; I210-V218 PolarHBondContact O-N 3.26Å; I210-L220 HydrophobicContact CD1-CD1 3.84Å; I210-L220 HydrophobicContact CD1-CD2 4.38Å; I210-L220 HydrophobicContact CD1-CG 4.3Å; I210-L220 HydrophobicContact CG1-CD1 4.1Å; I210-L220 HydrophobicContact CG1-CG 4.29Å; I210-L220 HydrophobicContact CG2-CD1 4.06Å |
| 211 | E | 97.7 | Very high | 94.5 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129 | 175.3 | -65.9 | -176.8 | -178.5 | 0 | 0 | 109.3 | Q156 A216 K217 | Q156-E211 WeakPolarHBondContact CG-O 3.42Å; E211-A216 WeakPolarHBondContact CA-O 3.3Å; E211-K217 HydrophobicContact CG-CG 4.28Å |
| 212 | N | 95.7 | Very high | 94.7 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | trans | -72.9 | 175.2 | 173.5 | 87.2 | -24.3 | 0 | 0 | 0 | 110.3 | D33 I150 T151 G214 G215 A216 | D33-N212 VanDerWaalsContact C-ND2 3.35Å; D33-N212 VanDerWaalsContact CB-ND2 3.28Å; D33-N212 WeakPolarHBondContact CB-ND2 3.24Å; D33-N212 PolarHBondContact O-ND2 2.78Å; I150-N212 HydrophobicContact CG2-CB 3.58Å; T151-N212 WeakPolarHBondContact O-CB 3.37Å; N212-G214 PolarHBondContact O-N 2.82Å; N212-G214 VanDerWaalsContact O-N 3.13Å; N212-G214 WeakPolarHBondContact OD1-CA 3.21Å; N212-G214 PolarHBondContact OD1-N 2.77Å; N212-G215 PolarHBondContact O-N 2.8Å; N212-G215 PolarHBondContact OD1-N 3.18Å; N212-A216 PolarHBondContact N-O 2.77Å; N212-A216 WeakPolarHBondContact OD1-CA 3.27Å; N212-A216 WeakPolarHBondContact OD1-CB 3.4Å; N212-A216 PolarHBondContact OD1-N 2.98Å; N212-A216 PolarHBondContact OD1-O 3.48Å | ||
| 213 | I | 93.9 | Very high | 94.6 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 28% | 0.277 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.3 | -178.2 | -157.3 | 172.3 | 0 | 0 | 0 | 113.7 | D33 T151 P153 G215 | D33-I213 HydrophobicContact CB-CG2 4.02Å; D33-I213 WeakPolarHBondContact OD1-CG2 3.27Å; T151-I213 HydrophobicContact CG2-CB 4Å; T151-I213 HydrophobicContact CG2-CD1 4.22Å; T151-I213 HydrophobicContact CG2-CG2 3.54Å; T151-I213 PolarHBondContact O-N 3.17Å; P153-I213 HydrophobicContact CG-CB 4.31Å; I213-G215 VanDerWaalsContact C-N 3.33Å |
| 214 | G | 94.6 | Very high | 94.5 | Very high | 46 Ų | 46 | 33.8 Ų | 33.8 | 47% | 0.474 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 1.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N212 A216 | N212-G214 PolarHBondContact O-N 2.82Å; N212-G214 VanDerWaalsContact O-N 3.13Å; N212-G214 WeakPolarHBondContact OD1-CA 3.21Å; N212-G214 PolarHBondContact OD1-N 2.77Å; G214-A216 VanDerWaalsContact C-N 3.34Å |
| 215 | G | 95.3 | Very high | 94.1 | Very high | 42 Ų | 42 | 31.4 Ų | 31.4 | 43% | 0.433 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 81.1 | 5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | N212 I213 | N212-G215 PolarHBondContact O-N 2.8Å; N212-G215 PolarHBondContact OD1-N 3.18Å; I213-G215 VanDerWaalsContact C-N 3.33Å |
| 216 | A | 95.8 | Very high | 93.9 | Very high | 20 Ų | 20 | 35.9 Ų | 35.9 | 17% | 0.165 | 20% | 0.203 | C | C | . | . | trans | -67.9 | 134.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | E211 N212 G214 L324 | E211-A216 WeakPolarHBondContact CA-O 3.3Å; N212-A216 PolarHBondContact N-O 2.77Å; N212-A216 WeakPolarHBondContact OD1-CA 3.27Å; N212-A216 WeakPolarHBondContact OD1-CB 3.4Å; N212-A216 PolarHBondContact OD1-N 2.98Å; N212-A216 PolarHBondContact OD1-O 3.48Å; G214-A216 VanDerWaalsContact C-N 3.34Å; A216-L324 HydrophobicContact CB-CD1 3.99Å | ||
| 217 | K | 98 | Very high | 93.5 | Very high | 87 Ų | 87 | 33.4 Ų | 33.4 | 38% | 0.378 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131.8 | -179 | -69.1 | 179.9 | 179.9 | 177.6 | 0 | 110.6 | V209 E211 E325 | V209-K217 HydrophobicContact CG1-CB 3.97Å; V209-K217 HydrophobicContact CG1-CD 4.4Å; V209-K217 HydrophobicContact CG1-CG 4.24Å; E211-K217 HydrophobicContact CG-CG 4.28Å; K217-E325 HydrophobicContact CB-CB 4.08Å; K217-E325 WeakPolarHBondContact O-CB 3.43Å; K217-E325 PolarHBondContact O-N 3.2Å |
| 218 | V | 97.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 111.8 | 173.2 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | W121 I150 V209 I210 L220 W322 S323 L324 | W121-V218 HydrophobicContact CZ3-CG1 4.2Å; I150-V218 HydrophobicContact CD1-CG2 4.45Å; I150-V218 HydrophobicContact CG2-CG2 4.28Å; V209-V218 WeakPolarHBondContact CA-O 3.49Å; I210-V218 HydrophobicContact CD1-CB 4.25Å; I210-V218 HydrophobicContact CG1-CB 3.79Å; I210-V218 PolarHBondContact N-O 2.85Å; I210-V218 PolarHBondContact O-N 3.26Å; V218-L220 HydrophobicContact CG1-CD2 3.94Å; V218-W322 HydrophobicContact CG1-CB 4.41Å; V218-S323 CarbonylContact C-O 3.45Å; V218-S323 WeakPolarHBondContact CA-O 3.38Å; V218-L324 HydrophobicContact CG2-CD1 3.96Å |
| 219 | H | 97.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 12% | 0.116 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 122.1 | 176.9 | -58 | -103.3 | 0 | 0 | 0 | 108.8 | V209 F221 L240 W322 S323 E325 | V209-H219 WeakPolarHBondContact CG2-ND1 3.23Å; H219-F221 HydrophobicContact CB-CD2 4.5Å; H219-F221 HydrophobicContact CB-CE2 3.55Å; H219-F221 HydrophobicContact CB-CZ 3.83Å; H219-L240 HydrophobicContact CB-CD2 4.32Å; H219-W322 CarbonylContact O-C 3.55Å; H219-W322 VanDerWaalsContact O-CA 3.23Å; H219-W322 WeakPolarHBondContact O-CA 3.37Å; H219-S323 PolarHBondContact N-O 3.02Å; H219-S323 PolarHBondContact O-N 2.98Å; H219-E325 IonicContact CD2-OE2 2.98Å; H219-E325 IonicContact CE1-OE2 3.48Å; H219-E325 IonicContact NE2-OE2 2.78Å; H219-E325 PolarHBondContact NE2-OE2 2.9Å |
| 220 | L | 95.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.2 | -179.6 | -55.5 | 179.7 | 0 | 0 | 0 | 109.6 | W121 W160 V163 M207 D208 I210 V218 W322 | W121-L220 HydrophobicContact CH2-CD2 3.37Å; W121-L220 HydrophobicContact CZ3-CD2 3.62Å; W160-L220 HydrophobicContact CB-CD1 4.29Å; V163-L220 HydrophobicContact CB-CB 3.91Å; V163-L220 HydrophobicContact CB-CD1 4.23Å; V163-L220 HydrophobicContact CG1-CB 3.62Å; V163-L220 HydrophobicContact CG2-CB 3.99Å; V163-L220 HydrophobicContact CG2-CD1 4.37Å; M207-L220 WeakPolarHBondContact CA-O 3.43Å; M207-L220 VanDerWaalsContact CG-O 3.24Å; M207-L220 WeakPolarHBondContact CG-O 3.07Å; D208-L220 PolarHBondContact N-O 3.23Å; D208-L220 PolarHBondContact O-N 3.14Å; I210-L220 HydrophobicContact CD1-CD1 3.84Å; I210-L220 HydrophobicContact CD1-CD2 4.38Å; I210-L220 HydrophobicContact CD1-CG 4.3Å; I210-L220 HydrophobicContact CG1-CD1 4.1Å; I210-L220 HydrophobicContact CG1-CG 4.29Å; I210-L220 HydrophobicContact CG2-CD1 4.06Å; V218-L220 HydrophobicContact CG1-CD2 3.94Å; L220-W322 HydrophobicContact CD2-CB 3.72Å |
| 221 | F | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 101.9 | -179 | -60.1 | -85.2 | 0 | 0 | 0 | 108.9 | M207 H219 Y235 M236 L239 L240 I320 A321 S323 | M207-F221 HydrophobicContact CB-CD1 4.27Å; M207-F221 HydrophobicContact CE-CE1 3.97Å; M207-F221 HydrophobicContact CG-CD1 3.78Å; M207-F221 HydrophobicContact CG-CE1 3.74Å; M207-F221 HydrophobicContact CG-CZ 4.48Å; H219-F221 HydrophobicContact CB-CD2 4.5Å; H219-F221 HydrophobicContact CB-CE2 3.55Å; H219-F221 HydrophobicContact CB-CZ 3.83Å; F221-Y235 HydrophobicContact CB-CD1 4Å; F221-Y235 HydrophobicContact CB-CE1 3.73Å; F221-Y235 HydrophobicContact CD1-CD1 4.04Å; F221-Y235 AromaticContact CD1-CE1 3.9Å; F221-Y235 HydrophobicContact CD1-CE1 3.9Å; F221-Y235 HydrophobicContact CG-CD1 4.46Å; F221-Y235 HydrophobicContact CG-CE1 4.33Å; F221-M236 HydrophobicContact CB-CG 4.49Å; F221-M236 HydrophobicContact CD1-CG 4.29Å; F221-M236 HydrophobicContact CD2-CG 4.11Å; F221-M236 HydrophobicContact CE2-CG 4.46Å; F221-M236 HydrophobicContact CG-CG 4.04Å; F221-L239 HydrophobicContact CD1-CD1 4Å; F221-L239 HydrophobicContact CE1-CB 3.8Å; F221-L239 HydrophobicContact CE1-CD1 3.88Å; F221-L240 HydrophobicContact CE2-CD1 4.44Å; F221-L240 HydrophobicContact CE2-CD2 4.23Å; F221-L240 HydrophobicContact CE2-CG 4.34Å; F221-L240 HydrophobicContact CZ-CD1 4.23Å; F221-L240 HydrophobicContact CZ-CD2 3.75Å; F221-L240 HydrophobicContact CZ-CG 3.72Å; F221-I320 CarbonylContact O-C 3.5Å; F221-I320 WeakPolarHBondContact O-CA 3.11Å; F221-I320 VanDerWaalsContact O-CG1 3.3Å; F221-I320 WeakPolarHBondContact O-CG1 2.95Å; F221-A321 HydrophobicContact CB-CB 4.2Å; F221-A321 WeakPolarHBondContact CB-O 3.28Å; F221-A321 HydrophobicContact CD2-CB 4.06Å; F221-A321 WeakPolarHBondContact CD2-O 3.32Å; F221-A321 HydrophobicContact CG-CB 4.5Å; F221-A321 PolarHBondContact N-O 3.15Å; F221-A321 PolarHBondContact O-N 3.06Å; F221-S323 WeakPolarHBondContact CE2-OG 3.5Å |
| 222 | G | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 136 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | V163 A205 K206 | V163-G222 VanDerWaalsContact CG1-N 3.25Å; A205-G222 CarbonylContact C-O 3.53Å; A205-G222 VanDerWaalsContact CA-O 3.3Å; A205-G222 WeakPolarHBondContact CA-O 3.48Å; K206-G222 PolarHBondContact N-O 3.11Å; K206-G222 WeakPolarHBondContact O-CA 3.33Å; K206-G222 PolarHBondContact O-N 2.92Å |
| 223 | M | 88.2 | Confident | 90 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 127.9 | 179 | -175.8 | 178.9 | 69.1 | 0 | 0 | 110.8 | Y166 A205 Q229 I231 P318 S319 | Y166-M223 CarbonylContact O-C 3.56Å; Y166-M223 WeakPolarHBondContact O-CA 3.35Å; Y166-M223 PolarHBondContact O-N 2.83Å; Y166-M223 VanDerWaalsContact O-N 3.11Å; A205-M223 HydrophobicContact CB-CB 4.34Å; A205-M223 HydrophobicContact CB-CG 4.18Å; M223-Q229 VanDerWaalsContact CE-O 3.26Å; M223-Q229 WeakPolarHBondContact CE-O 3.42Å; M223-Q229 HydrophobicContact SD-CG 3.33Å; M223-Q229 WeakPolarHBondContact SD-CG 3.43Å; M223-I231 HydrophobicContact CE-CB 4.35Å; M223-P318 CarbonylContact O-C 3.54Å; M223-P318 WeakPolarHBondContact O-CA 3.33Å; M223-P318 WeakPolarHBondContact O-CB 3.41Å; M223-S319 PolarHBondContact N-O 2.99Å; M223-S319 PolarHBondContact O-N 2.77Å |
| 224 | L | 88.6 | Confident | 89.6 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | trans | -84 | 157.6 | 172.4 | -62.9 | 169.8 | 0 | 0 | 0 | 110.3 | Y166 D168 V200 Y204 Q226 S227 | Y166-L224 VanDerWaalsContact C-CD2 3.48Å; Y166-L224 HydrophobicContact CD1-CD1 4.18Å; Y166-L224 HydrophobicContact CD1-CG 4.4Å; Y166-L224 WeakPolarHBondContact O-CD2 3.43Å; Y166-L224 WeakPolarHBondContact O-CG 3.3Å; Y166-L224 PolarHBondContact O-N 3.31Å; D168-L224 HydrophobicContact CB-CD2 4.04Å; V200-L224 HydrophobicContact CB-CD1 3.68Å; V200-L224 HydrophobicContact CG1-CD1 3.74Å; V200-L224 HydrophobicContact CG2-CD1 3.85Å; Y204-L224 HydrophobicContact CD1-CD1 4.39Å; Y204-L224 WeakPolarHBondContact O-CB 3.26Å; Y204-L224 PolarHBondContact O-N 2.87Å; L224-Q226 VanDerWaalsContact CB-OE1 3.31Å; L224-Q226 PolarHBondContact O-N 2.89Å; L224-S227 VanDerWaalsContact O-CB 3.25Å; L224-S227 WeakPolarHBondContact O-CB 3.49Å; L224-S227 PolarHBondContact O-N 3.14Å | ||
| 225 | A | 83.3 | Confident | 89.4 | Confident | 25 Ų | 25 | 31 Ų | 31 | 21% | 0.207 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -41.1 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S227 N228 K316 P318 | A225-S227 PolarHBondContact O-N 3.45Å; A225-N228 PolarHBondContact O-N 3.42Å; A225-K316 WeakPolarHBondContact CA-O 3.45Å; A225-K316 HydrophobicContact CB-CB 4.21Å; A225-K316 WeakPolarHBondContact CB-O 3.43Å; A225-K316 WeakPolarHBondContact O-CA 3.29Å; A225-K316 WeakPolarHBondContact O-CB 3.45Å; A225-P318 HydrophobicContact CB-CG 4.26Å |
| 226 | Q | 86.4 | Confident | 89.2 | Confident | 110 Ų | 110 | 29 Ų | 29 | 51% | 0.514 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -68.4 | -14.6 | -175.2 | -61.5 | 87.2 | -23.7 | 0 | 0 | 113.1 | Y204 L224 N228 | Y204-Q226 HydrophobicContact CD1-CB 3.6Å; Y204-Q226 HydrophobicContact CD1-CG 4.22Å; Y204-Q226 HydrophobicContact CD2-CB 3.55Å; Y204-Q226 HydrophobicContact CE1-CB 3.82Å; Y204-Q226 HydrophobicContact CE1-CG 4.11Å; Y204-Q226 HydrophobicContact CE2-CB 3.79Å; Y204-Q226 HydrophobicContact CG-CB 3.46Å; Y204-Q226 VanDerWaalsContact CG-CB 3.46Å; L224-Q226 VanDerWaalsContact CB-OE1 3.31Å; L224-Q226 PolarHBondContact O-N 2.89Å; Q226-N228 VanDerWaalsContact C-N 3.3Å; Q226-N228 PolarHBondContact O-N 3.38Å |
| 227 | S | 85.7 | Confident | 89.1 | Confident | 26 Ų | 26 | 28 Ų | 28 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -70.3 | -25.2 | 179.6 | -169.1 | 0 | 0 | 0 | 0 | 113.6 | L224 A225 Q229 | L224-S227 VanDerWaalsContact O-CB 3.25Å; L224-S227 WeakPolarHBondContact O-CB 3.49Å; L224-S227 PolarHBondContact O-N 3.14Å; A225-S227 PolarHBondContact O-N 3.45Å; S227-Q229 VanDerWaalsContact C-N 3.32Å; S227-Q229 PolarHBondContact O-N 3.29Å; S227-Q229 PolarHBondContact OG-NE2 3.13Å |
| 228 | N | 81.5 | Confident | 88.9 | Confident | 96 Ų | 96 | 26.3 Ų | 26.3 | 51% | 0.513 | 14% | 0.144 | S | C | . | . | trans | 46.7 | 47.2 | 172.8 | -162 | 83.3 | 0 | 0 | 0 | 114.4 | A225 Q226 | A225-N228 PolarHBondContact O-N 3.42Å; Q226-N228 VanDerWaalsContact C-N 3.3Å; Q226-N228 PolarHBondContact O-N 3.38Å | ||
| 229 | Q | 80.2 | Confident | 88.7 | Confident | 69 Ų | 69 | 29.9 Ų | 29.9 | 32% | 0.322 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -138.9 | 156.7 | 179 | 70 | -179.8 | -24.8 | 0 | 0 | 110.7 | M223 S227 T234 | M223-Q229 VanDerWaalsContact CE-O 3.26Å; M223-Q229 WeakPolarHBondContact CE-O 3.42Å; M223-Q229 HydrophobicContact SD-CG 3.33Å; M223-Q229 WeakPolarHBondContact SD-CG 3.43Å; S227-Q229 VanDerWaalsContact C-N 3.32Å; S227-Q229 PolarHBondContact O-N 3.29Å; S227-Q229 PolarHBondContact OG-NE2 3.13Å; Q229-T234 WeakPolarHBondContact CB-OG1 3.42Å |
| 230 | D | 82.5 | Confident | 88.7 | Confident | 30 Ų | 30 | 29.6 Ų | 29.6 | 16% | 0.16 | 16% | 0.161 | C | C | . | . | trans | -77.7 | 121.6 | 177.9 | 168.2 | -119.6 | 0 | 0 | 0 | 111 | Y232 S233 T234 Y235 | D230-Y232 PolarHBondContact O-N 2.9Å; D230-Y232 PolarHBondContact OD1-N 2.86Å; D230-S233 WeakPolarHBondContact OD1-CA 3.49Å; D230-S233 VanDerWaalsContact OD1-CB 3.26Å; D230-S233 WeakPolarHBondContact OD1-CB 3.31Å; D230-S233 PolarHBondContact OD1-N 2.83Å; D230-S233 PolarHBondContact OD1-OG 2.88Å; D230-T234 HydrophobicContact CB-CG2 4.25Å; D230-T234 PolarHBondContact N-OG1 2.96Å; D230-T234 PolarHBondContact O-N 2.76Å; D230-T234 PolarHBondContact O-OG1 2.84Å; D230-Y235 PolarHBondContact O-N 2.91Å | ||
| 231 | I | 86.3 | Confident | 88.7 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -60.2 | -33.3 | -176 | -166.8 | 168.5 | 0 | 0 | 0 | 112 | M223 Y235 M236 V307 I310 A321 | M223-I231 HydrophobicContact CE-CB 4.35Å; I231-Y235 HydrophobicContact CG1-CD1 4.34Å; I231-Y235 WeakPolarHBondContact O-CB 3.26Å; I231-M236 HydrophobicContact CG1-CG 4.16Å; I231-M236 HydrophobicContact CG1-SD 4.15Å; I231-M236 WeakPolarHBondContact O-CB 3.11Å; I231-M236 WeakPolarHBondContact O-CG 3.42Å; I231-M236 PolarHBondContact O-N 3.39Å; I231-V307 HydrophobicContact CD1-CG1 4.33Å; I231-V307 HydrophobicContact CG2-CG1 4.13Å; I231-I310 HydrophobicContact CB-CD1 4.49Å; I231-I310 HydrophobicContact CG2-CD1 3.33Å; I231-I310 HydrophobicContact CG2-CG1 4.15Å; I231-A321 HydrophobicContact CD1-CB 4.11Å |
| 232 | Y | 88.2 | Confident | 88.9 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -79.2 | -64.7 | -173 | -60 | -71.3 | 0 | 0 | 0 | 112.7 | D230 M236 A237 T248 E257 L267 V293 V307 I310 | D230-Y232 PolarHBondContact O-N 2.9Å; D230-Y232 PolarHBondContact OD1-N 2.86Å; Y232-M236 HydrophobicContact CD1-SD 4.07Å; Y232-A237 WeakPolarHBondContact O-CB 3.48Å; Y232-A237 PolarHBondContact O-N 2.61Å; Y232-T248 HydrophobicContact CE1-CG2 4.43Å; Y232-T248 HydrophobicContact CE2-CG2 3.93Å; Y232-E257 HydrophobicContact CD2-CG 4.21Å; Y232-L267 VanDerWaalsContact CB-CD2 3.42Å; Y232-L267 HydrophobicContact CD2-CD2 4.49Å; Y232-L267 HydrophobicContact CG-CD1 4.49Å; Y232-L267 HydrophobicContact CG-CD2 4.16Å; Y232-V293 HydrophobicContact CD1-CG2 3.56Å; Y232-V293 HydrophobicContact CE1-CG2 3.42Å; Y232-V293 VanDerWaalsContact CE1-CG2 3.42Å; Y232-V307 HydrophobicContact CD1-CG2 4.49Å; Y232-V307 HydrophobicContact CE1-CB 3.94Å; Y232-V307 HydrophobicContact CE1-CG1 3.71Å; Y232-V307 HydrophobicContact CE1-CG2 3.71Å; Y232-I310 HydrophobicContact CD2-CD1 3.87Å; Y232-I310 HydrophobicContact CE2-CD1 3.28Å; Y232-I310 HydrophobicContact CE2-CG1 4.39Å |
| 233 | S | 87.2 | Confident | 89 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -85.6 | -27 | -169.5 | 67.7 | 0 | 0 | 0 | 0 | 113.8 | D230 P238 | D230-S233 WeakPolarHBondContact OD1-CA 3.49Å; D230-S233 VanDerWaalsContact OD1-CB 3.26Å; D230-S233 WeakPolarHBondContact OD1-CB 3.31Å; D230-S233 PolarHBondContact OD1-N 2.83Å; D230-S233 PolarHBondContact OD1-OG 2.88Å; S233-P238 VanDerWaalsContact O-CD 3.3Å; S233-P238 WeakPolarHBondContact O-CD 3.22Å; S233-P238 WeakPolarHBondContact O-CG 3.39Å |
| 234 | T | 86.7 | Confident | 89.3 | Confident | 66 Ų | 66 | 38.9 Ų | 38.9 | 41% | 0.405 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -101.4 | -20.5 | -178.1 | 69.5 | 0 | 0 | 0 | 0 | 113.4 | Q229 D230 | Q229-T234 WeakPolarHBondContact CB-OG1 3.42Å; D230-T234 HydrophobicContact CB-CG2 4.25Å; D230-T234 PolarHBondContact N-OG1 2.96Å; D230-T234 PolarHBondContact O-N 2.76Å; D230-T234 PolarHBondContact O-OG1 2.84Å |
| 235 | Y | 89.8 | Confident | 89.5 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 9% | 0.086 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -113.8 | -65.8 | -178.9 | -162.4 | -128.1 | 0 | 0 | 0 | 113.3 | A205 K206 M207 F221 D230 I231 P238 L239 | A205-Y235 HydrophobicContact CB-CE1 4.38Å; A205-Y235 HydrophobicContact CB-CE2 3.87Å; K206-Y235 PolarHBondContact N-OH 3.11Å; K206-Y235 PolarHBondContact O-OH 2.93Å; M207-Y235 WeakPolarHBondContact CB-OH 3.1Å; M207-Y235 PolarHBondContact N-OH 2.69Å; F221-Y235 HydrophobicContact CB-CD1 4Å; F221-Y235 HydrophobicContact CB-CE1 3.73Å; F221-Y235 HydrophobicContact CD1-CD1 4.04Å; F221-Y235 AromaticContact CD1-CE1 3.9Å; F221-Y235 HydrophobicContact CD1-CE1 3.9Å; F221-Y235 HydrophobicContact CG-CD1 4.46Å; F221-Y235 HydrophobicContact CG-CE1 4.33Å; D230-Y235 PolarHBondContact O-N 2.91Å; I231-Y235 HydrophobicContact CG1-CD1 4.34Å; I231-Y235 WeakPolarHBondContact O-CB 3.26Å; Y235-P238 WeakPolarHBondContact O-CD 3.4Å; Y235-L239 HydrophobicContact CD2-CD1 3.61Å; Y235-L239 HydrophobicContact CE1-CD1 4.36Å; Y235-L239 HydrophobicContact CE2-CD1 3.41Å; Y235-L239 VanDerWaalsContact CE2-CD1 3.41Å; Y235-L239 HydrophobicContact CG-CD1 4.15Å; Y235-L239 VanDerWaalsContact O-CB 3.25Å; Y235-L239 WeakPolarHBondContact O-CB 3.46Å; Y235-L239 WeakPolarHBondContact O-CD1 3.41Å; Y235-L239 WeakPolarHBondContact O-CG 3.34Å; Y235-L239 PolarHBondContact O-N 2.85Å |
| 236 | M | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -63.6 | -56.1 | -176.7 | -69 | 169.4 | 72.6 | 0 | 0 | 112.6 | F221 I231 Y232 L239 L240 L244 V293 C305 V307 A321 | F221-M236 HydrophobicContact CB-CG 4.49Å; F221-M236 HydrophobicContact CD1-CG 4.29Å; F221-M236 HydrophobicContact CD2-CG 4.11Å; F221-M236 HydrophobicContact CE2-CG 4.46Å; F221-M236 HydrophobicContact CG-CG 4.04Å; I231-M236 HydrophobicContact CG1-CG 4.16Å; I231-M236 HydrophobicContact CG1-SD 4.15Å; I231-M236 WeakPolarHBondContact O-CB 3.11Å; I231-M236 WeakPolarHBondContact O-CG 3.42Å; I231-M236 PolarHBondContact O-N 3.39Å; Y232-M236 HydrophobicContact CD1-SD 4.07Å; M236-L239 PolarHBondContact O-N 3.29Å; M236-L240 HydrophobicContact CB-CD1 4.32Å; M236-L240 VanDerWaalsContact O-CB 3.3Å; M236-L240 WeakPolarHBondContact O-CB 3.35Å; M236-L240 WeakPolarHBondContact O-CG 3.38Å; M236-L240 PolarHBondContact O-N 3Å; M236-L244 HydrophobicContact CB-CD1 4.04Å; M236-V293 HydrophobicContact CE-CB 4.09Å; M236-V293 HydrophobicContact CE-CG1 4.21Å; M236-V293 HydrophobicContact CE-CG2 4.23Å; M236-C305 HydrophobicContact CE-CB 3.69Å; M236-V307 HydrophobicContact CE-CG2 4.12Å; M236-V307 HydrophobicContact SD-CG2 4.14Å; M236-A321 HydrophobicContact CE-CB 3.45Å; M236-A321 VanDerWaalsContact CE-CB 3.45Å; M236-A321 HydrophobicContact CG-CB 3.98Å; M236-A321 HydrophobicContact SD-CB 3.26Å; M236-A321 WeakPolarHBondContact SD-CB 3.19Å |
| 237 | A | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.7 | -43.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y232 K241 Q242 L244 | Y232-A237 WeakPolarHBondContact O-CB 3.48Å; Y232-A237 PolarHBondContact O-N 2.61Å; A237-K241 WeakPolarHBondContact O-CA 3.48Å; A237-K241 PolarHBondContact O-N 3.32Å; A237-Q242 WeakPolarHBondContact CB-O 3.42Å; A237-Q242 PolarHBondContact O-N 3.47Å; A237-Q242 VanDerWaalsContact O-N 3.13Å; A237-L244 HydrophobicContact CB-CD1 3.75Å; A237-L244 HydrophobicContact CB-CG 4.04Å |
| 238 | P | 93.7 | Very high | 89.9 | Confident | 52 Ų | 52 | 31.2 Ų | 31.2 | 34% | 0.338 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 175.3 | -24 | 37.5 | 0 | 0 | 0 | 114.1 | S233 Y235 K241 Y265 | S233-P238 VanDerWaalsContact O-CD 3.3Å; S233-P238 WeakPolarHBondContact O-CD 3.22Å; S233-P238 WeakPolarHBondContact O-CG 3.39Å; Y235-P238 WeakPolarHBondContact O-CD 3.4Å; P238-K241 WeakPolarHBondContact O-CG 3.44Å; P238-K241 PolarHBondContact O-N 3.01Å; P238-Y265 HydrophobicContact CB-CD2 4.49Å |
| 239 | L | 94.3 | Very high | 89.7 | Confident | 74 Ų | 74 | 29.2 Ų | 29.2 | 39% | 0.387 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -74.9 | -40.1 | -178.6 | -73.1 | 178.4 | 0 | 0 | 0 | 112.6 | M207 F221 Y235 M236 K241 | M207-L239 HydrophobicContact CB-CD1 4.19Å; M207-L239 HydrophobicContact CE-CB 3.62Å; M207-L239 HydrophobicContact CE-CD1 3.91Å; M207-L239 HydrophobicContact CE-CD2 4.06Å; M207-L239 HydrophobicContact CE-CG 4.06Å; M207-L239 HydrophobicContact CG-CD1 4.3Å; F221-L239 HydrophobicContact CD1-CD1 4Å; F221-L239 HydrophobicContact CE1-CB 3.8Å; F221-L239 HydrophobicContact CE1-CD1 3.88Å; Y235-L239 HydrophobicContact CD2-CD1 3.61Å; Y235-L239 HydrophobicContact CE1-CD1 4.36Å; Y235-L239 HydrophobicContact CE2-CD1 3.41Å; Y235-L239 VanDerWaalsContact CE2-CD1 3.41Å; Y235-L239 HydrophobicContact CG-CD1 4.15Å; Y235-L239 VanDerWaalsContact O-CB 3.25Å; Y235-L239 WeakPolarHBondContact O-CB 3.46Å; Y235-L239 WeakPolarHBondContact O-CD1 3.41Å; Y235-L239 WeakPolarHBondContact O-CG 3.34Å; Y235-L239 PolarHBondContact O-N 2.85Å; M236-L239 PolarHBondContact O-N 3.29Å; L239-K241 PolarHBondContact O-N 3.49Å |
| 240 | L | 96 | Very high | 89.4 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 10% | 0.099 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.1 | -19.2 | 170.9 | -67.9 | 169.6 | 0 | 0 | 0 | 112.1 | H219 F221 M236 Q242 L244 V303 | H219-L240 HydrophobicContact CB-CD2 4.32Å; F221-L240 HydrophobicContact CE2-CD1 4.44Å; F221-L240 HydrophobicContact CE2-CD2 4.23Å; F221-L240 HydrophobicContact CE2-CG 4.34Å; F221-L240 HydrophobicContact CZ-CD1 4.23Å; F221-L240 HydrophobicContact CZ-CD2 3.75Å; F221-L240 HydrophobicContact CZ-CG 3.72Å; M236-L240 HydrophobicContact CB-CD1 4.32Å; M236-L240 VanDerWaalsContact O-CB 3.3Å; M236-L240 WeakPolarHBondContact O-CB 3.35Å; M236-L240 WeakPolarHBondContact O-CG 3.38Å; M236-L240 PolarHBondContact O-N 3Å; L240-Q242 VanDerWaalsContact C-N 3.28Å; L240-Q242 HydrophobicContact CB-CB 4.31Å; L240-Q242 WeakPolarHBondContact O-CG 3.41Å; L240-Q242 PolarHBondContact O-N 2.93Å; L240-L244 HydrophobicContact CD1-CD1 4.17Å; L240-L244 HydrophobicContact CD1-CD2 4.18Å; L240-V303 HydrophobicContact CD1-CG2 3.89Å; L240-V303 HydrophobicContact CD2-CG1 4.24Å; L240-V303 HydrophobicContact CD2-CG2 4.39Å |
| 241 | K | 96.2 | Very high | 88.4 | Confident | 145 Ų | 145 | 28.9 Ų | 28.9 | 63% | 0.63 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 41.7 | -173.3 | -63.3 | -178.4 | -178.9 | 178.3 | 0 | 112.2 | A237 P238 L239 Y265 | A237-K241 WeakPolarHBondContact O-CA 3.48Å; A237-K241 PolarHBondContact O-N 3.32Å; P238-K241 WeakPolarHBondContact O-CG 3.44Å; P238-K241 PolarHBondContact O-N 3.01Å; L239-K241 PolarHBondContact O-N 3.49Å; K241-Y265 VanDerWaalsContact CA-CE1 3.47Å; K241-Y265 HydrophobicContact CB-CE1 3.92Å; K241-Y265 HydrophobicContact CB-CE2 4.16Å; K241-Y265 WeakPolarHBondContact CB-OH 3.3Å; K241-Y265 HydrophobicContact CG-CE2 4.19Å; K241-Y265 WeakPolarHBondContact O-CD1 3.44Å; K241-Y265 WeakPolarHBondContact O-CE1 3.35Å |
| 242 | Q | 95.3 | Very high | 87.2 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 12% | 0.121 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -140.1 | 142.4 | -173.9 | -71.7 | 174.4 | 4 | 0 | 0 | 111.4 | A237 L240 L244 Y265 S295 K301 | A237-Q242 WeakPolarHBondContact CB-O 3.42Å; A237-Q242 PolarHBondContact O-N 3.47Å; A237-Q242 VanDerWaalsContact O-N 3.13Å; L240-Q242 VanDerWaalsContact C-N 3.28Å; L240-Q242 HydrophobicContact CB-CB 4.31Å; L240-Q242 WeakPolarHBondContact O-CG 3.41Å; L240-Q242 PolarHBondContact O-N 2.93Å; Q242-L244 HydrophobicContact CB-CD2 4.13Å; Q242-Y265 VanDerWaalsContact N-CD1 3.32Å; Q242-Y265 WeakPolarHBondContact O-CB 3.05Å; Q242-S295 PolarHBondContact OE1-OG 3.02Å; Q242-K301 PolarHBondContact NE2-O 2.82Å |
| 243 | S | 94.9 | Very high | 85.6 | Confident | 33 Ų | 33 | 43.3 Ų | 43.3 | 23% | 0.231 | 23% | 0.225 | C | C | . | . | trans | -75.1 | 137.7 | 165.2 | -58 | 0 | 0 | 0 | 0 | 109.2 | K266 K296 | S243-K266 CarbonylContact C-O 3.57Å; S243-K266 WeakPolarHBondContact CA-O 3.45Å; S243-K266 WeakPolarHBondContact CB-O 3.36Å; S243-K266 PolarHBondContact OG-N 2.94Å; S243-K266 VanDerWaalsContact OG-N 3.13Å; S243-K296 VanDerWaalsContact O-CB 3.3Å; S243-K296 WeakPolarHBondContact O-CB 3.17Å; S243-K296 PolarHBondContact O-N 2.71Å | ||
| 244 | L | 93.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 146.9 | -168.8 | -57.3 | -179.9 | 0 | 0 | 0 | 111 | M236 A237 L240 Q242 K266 L267 E268 V293 I294 | M236-L244 HydrophobicContact CB-CD1 4.04Å; A237-L244 HydrophobicContact CB-CD1 3.75Å; A237-L244 HydrophobicContact CB-CG 4.04Å; L240-L244 HydrophobicContact CD1-CD1 4.17Å; L240-L244 HydrophobicContact CD1-CD2 4.18Å; Q242-L244 HydrophobicContact CB-CD2 4.13Å; L244-K266 PolarHBondContact N-O 2.91Å; L244-L267 HydrophobicContact CB-CD1 4.08Å; L244-E268 PolarHBondContact O-N 3.4Å; L244-V293 HydrophobicContact CB-CG1 3.59Å; L244-V293 HydrophobicContact CD1-CG1 3.67Å; L244-V293 HydrophobicContact CD2-CG1 4.24Å; L244-V293 HydrophobicContact CG-CG1 4.02Å; L244-I294 CarbonylContact C-O 3.56Å; L244-I294 WeakPolarHBondContact CA-O 3.41Å |
| 245 | I | 92.1 | Very high | 83.5 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129.1 | 165.6 | -63.2 | 154.5 | 0 | 0 | 0 | 107.1 | E268 V270 V293 I294 K296 L334 I338 | I245-E268 CarbonylContact C-O 3.48Å; I245-E268 VanDerWaalsContact CA-O 3.22Å; I245-E268 WeakPolarHBondContact CA-O 3.45Å; I245-V270 HydrophobicContact CG2-CG2 3.75Å; I245-V293 CarbonylContact O-C 3.56Å; I245-V293 VanDerWaalsContact O-CA 3.28Å; I245-V293 WeakPolarHBondContact O-CA 3.37Å; I245-I294 HydrophobicContact CB-CD1 4.35Å; I245-I294 HydrophobicContact CB-CG1 3.79Å; I245-I294 HydrophobicContact CD1-CD1 4.22Å; I245-I294 HydrophobicContact CD1-CG1 4.22Å; I245-I294 HydrophobicContact CG2-CG1 4.38Å; I245-I294 PolarHBondContact N-O 2.93Å; I245-I294 PolarHBondContact O-N 3.32Å; I245-K296 HydrophobicContact CD1-CB 4.09Å; I245-K296 HydrophobicContact CD1-CG 4.08Å; I245-K296 HydrophobicContact CG1-CB 4.06Å; I245-K296 HydrophobicContact CG1-CG 4.22Å; I245-L334 HydrophobicContact CD1-CD2 3.63Å; I245-I338 HydrophobicContact CD1-CD1 3.36Å; I245-I338 HydrophobicContact CD1-CG1 4.12Å; I245-I338 HydrophobicContact CG1-CD1 3.86Å; I245-I338 HydrophobicContact CG1-CG1 4.2Å; I245-I338 HydrophobicContact CG1-CG2 4.45Å; I245-I338 HydrophobicContact CG2-CD1 4.39Å; I245-I338 HydrophobicContact CG2-CG1 3.93Å |
| 246 | A | 89.7 | Confident | 82.7 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T248 L267 E268 N269 V270 V293 | A246-T248 HydrophobicContact CB-CG2 3.95Å; A246-L267 HydrophobicContact CB-CD1 3.81Å; A246-E268 PolarHBondContact N-O 2.92Å; A246-N269 WeakPolarHBondContact O-CA 3.46Å; A246-N269 PolarHBondContact O-OD1 3.37Å; A246-V270 PolarHBondContact O-N 2.99Å; A246-V293 HydrophobicContact CB-CG2 4.07Å |
| 247 | W | 88.7 | Confident | 81.9 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 101.7 | 161.5 | 177 | -106 | 0 | 0 | 0 | 107.9 | V270 I276 R285 D288 R291 W292 | W247-V270 HydrophobicContact CE3-CB 3.8Å; W247-V270 HydrophobicContact CE3-CG1 3.6Å; W247-V270 HydrophobicContact CE3-CG2 4.24Å; W247-V270 HydrophobicContact CZ3-CB 4.31Å; W247-V270 HydrophobicContact CZ3-CG1 3.64Å; W247-I276 HydrophobicContact CD2-CD1 4.23Å; W247-I276 HydrophobicContact CD2-CG2 3.99Å; W247-I276 HydrophobicContact CE3-CG2 3.42Å; W247-I276 VanDerWaalsContact CE3-CG2 3.42Å; W247-I276 HydrophobicContact CH2-CB 4.25Å; W247-I276 HydrophobicContact CH2-CD1 4.35Å; W247-I276 HydrophobicContact CH2-CG1 3.9Å; W247-I276 HydrophobicContact CH2-CG2 3.6Å; W247-I276 HydrophobicContact CZ2-CD1 3.82Å; W247-I276 HydrophobicContact CZ2-CG1 3.79Å; W247-I276 HydrophobicContact CZ2-CG2 4.14Å; W247-I276 HydrophobicContact CZ3-CB 4.35Å; W247-I276 HydrophobicContact CZ3-CG1 4.44Å; W247-I276 HydrophobicContact CZ3-CG2 3.25Å; W247-R285 HydrophobicContact CE3-CG 4.33Å; W247-R285 HydrophobicContact CH2-CB 4.22Å; W247-R285 HydrophobicContact CH2-CG 3.15Å; W247-R285 HydrophobicContact CZ2-CB 4.09Å; W247-R285 HydrophobicContact CZ2-CG 3.36Å; W247-R285 HydrophobicContact CZ3-CG 3.66Å; W247-D288 HydrophobicContact CZ2-CB 4.43Å; W247-D288 PolarHBondContact NE1-OD2 3.07Å; W247-R291 VanDerWaalsContact O-CA 3.29Å; W247-R291 WeakPolarHBondContact O-CA 3.36Å; W247-W292 HydrophobicContact CB-CD2 3.51Å; W247-W292 HydrophobicContact CB-CE3 3.84Å; W247-W292 HydrophobicContact CB-CG 4.12Å; W247-W292 HydrophobicContact CB-CH2 3.67Å; W247-W292 HydrophobicContact CB-CZ2 3.37Å; W247-W292 HydrophobicContact CB-CZ3 3.9Å; W247-W292 AromaticContact CD1-CD1 3.7Å; W247-W292 AromaticContact CD1-CE2 3.76Å; W247-W292 AromaticContact CD1-NE1 3.25Å; W247-W292 VanDerWaalsContact CD1-NE1 3.25Å; W247-W292 HydrophobicContact CD2-CZ2 4.2Å; W247-W292 HydrophobicContact CG-CD2 4.24Å; W247-W292 AromaticContact CG-CE2 3.56Å; W247-W292 HydrophobicContact CG-CH2 4.42Å; W247-W292 AromaticContact CG-CZ2 3.7Å; W247-W292 HydrophobicContact CG-CZ2 3.7Å; W247-W292 AromaticContact CG-NE1 3.56Å; W247-W292 PolarHBondContact N-O 2.76Å; W247-W292 AromaticContact NE1-NE1 3.92Å; W247-W292 PolarHBondContact O-N 3.41Å; W247-W292 VanDerWaalsContact O-N 3.15Å |
| 248 | T | 85.8 | Confident | 81.1 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | trans | -109.2 | 158.2 | 177.4 | 71.6 | 0 | 0 | 0 | 0 | 110.7 | Y232 A246 L256 E257 N269 R285 | Y232-T248 HydrophobicContact CE1-CG2 4.43Å; Y232-T248 HydrophobicContact CE2-CG2 3.93Å; A246-T248 HydrophobicContact CB-CG2 3.95Å; T248-L256 WeakPolarHBondContact O-CD1 3.01Å; T248-L256 VanDerWaalsContact OG1-CD1 3.3Å; T248-L256 WeakPolarHBondContact OG1-CD1 3.45Å; T248-E257 HydrophobicContact CG2-CB 4.02Å; T248-N269 PolarHBondContact OG1-ND2 3.12Å; T248-R285 PolarHBondContact O-NH1 2.71Å | ||
| 249 | K | 78.5 | Confident | 80.6 | Confident | 55 Ų | 55 | 52.8 Ų | 52.8 | 24% | 0.239 | 27% | 0.27 | C | S | . | . | trans | -110.1 | 125.2 | 178.4 | -174.1 | 172.4 | -168.5 | 155.6 | 0 | 109.1 | R285 E286 D288 R291 | K249-R285 VanDerWaalsContact CE-O 3.31Å; K249-R285 WeakPolarHBondContact CE-O 3.33Å; K249-R285 PolarHBondContact NZ-O 2.91Å; K249-E286 PolarHBondContact NZ-O 3.03Å; K249-D288 WeakPolarHBondContact CD-O 3.48Å; K249-D288 PolarHBondContact NZ-O 2.86Å; K249-R291 HydrophobicContact CB-CG 4.43Å | ||
| 250 | P | 72.7 | Confident | 80.3 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 34% | 0.338 | 27% | 0.268 | S | S | . | . | trans | -67.6 | 135 | 167.1 | 30.3 | -31 | 0 | 0 | 0 | 108.2 | E254 L256 | P250-E254 WeakPolarHBondContact CB-O 3.33Å; P250-L256 HydrophobicContact CB-CB 4.49Å | ||
| 251 | T | 62.3 | Low | 79.8 | Confident | 39 Ų | 39 | 53.5 Ų | 53.5 | 24% | 0.239 | 27% | 0.273 | C | S | . | . | trans | -90.8 | 171.6 | 169.6 | 68.8 | 0 | 0 | 0 | 0 | 109.5 | T253 E254 | T251-T253 PolarHBondContact O-N 2.03Å; T251-T253 PolarHBondContact OG1-OG1 2.68Å; T251-E254 WeakPolarHBondContact CG2-OE2 3.33Å; T251-E254 PolarHBondContact O-N 3.42Å; T251-E254 VanDerWaalsContact O-N 3.11Å; T251-E254 VanDerWaalsContact O-O 3.13Å; T251-E254 WeakPolarHBondContact OG1-CB 3.41Å; T251-E254 WeakPolarHBondContact OG1-CG 3.28Å; T251-E254 PolarHBondContact OG1-N 3.48Å; T251-E254 PolarHBondContact OG1-OE2 2.87Å | ||
| 252 | K | 59.9 | Low | 79.4 | Confident | 220 Ų | 220 | 52.4 Ų | 52.4 | 96% | 0.957 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -23.4 | 177.8 | -74 | -175.7 | 177.8 | 178.2 | 0 | 113.4 | ||
| 253 | T | 54.5 | Low | 79 | Confident | 88 Ų | 88 | 53.5 Ų | 53.5 | 54% | 0.54 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -7 | -173.8 | 47.9 | 0 | 0 | 0 | 0 | 113.8 | T251 L313 | T251-T253 PolarHBondContact O-N 2.03Å; T251-T253 PolarHBondContact OG1-OG1 2.68Å; T253-L313 HydrophobicContact CG2-CD1 3.57Å; T253-L313 HydrophobicContact CG2-CG 4.45Å; T253-L313 WeakPolarHBondContact OG1-CD1 3.08Å |
| 254 | E | 61.9 | Low | 78.8 | Confident | 18 Ų | 18 | 58 Ų | 58 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | trans | -125.1 | 142.7 | -168.6 | -63.9 | 158.7 | -176.4 | 0 | 0 | 111.3 | P250 T251 A311 L312 L313 | P250-E254 WeakPolarHBondContact CB-O 3.33Å; T251-E254 WeakPolarHBondContact CG2-OE2 3.33Å; T251-E254 PolarHBondContact O-N 3.42Å; T251-E254 VanDerWaalsContact O-N 3.11Å; T251-E254 VanDerWaalsContact O-O 3.13Å; T251-E254 WeakPolarHBondContact OG1-CB 3.41Å; T251-E254 WeakPolarHBondContact OG1-CG 3.28Å; T251-E254 PolarHBondContact OG1-N 3.48Å; T251-E254 PolarHBondContact OG1-OE2 2.87Å; E254-A311 WeakPolarHBondContact OE1-CA 3.45Å; E254-L312 HydrophobicContact CB-CB 4.19Å; E254-L312 HydrophobicContact CB-CD1 4.33Å; E254-L312 HydrophobicContact CG-CB 3.71Å; E254-L312 PolarHBondContact OE1-N 3.19Å; E254-L312 PolarHBondContact OE2-N 2.85Å; E254-L313 HydrophobicContact CG-CB 4.29Å; E254-L313 HydrophobicContact CG-CG 4.09Å; E254-L313 PolarHBondContact OE1-N 2.73Å | ||
| 255 | K | 68 | Low | 78.9 | Confident | 189 Ų | 189 | 61.4 Ų | 61.4 | 82% | 0.822 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 150.9 | 172.9 | -64.4 | -178.7 | -178.7 | 178.2 | 0 | 109 | E257 | K255-E257 PolarHBondContact O-N 3.02Š|
| 256 | L | 73.4 | Confident | 78.9 | Confident | 38 Ų | 38 | 65 Ų | 65 | 20% | 0.199 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -53.9 | 134.6 | 168.8 | -173.5 | 76 | 0 | 0 | 0 | 109.7 | T248 P250 A258 N269 P272 | T248-L256 WeakPolarHBondContact O-CD1 3.01Å; T248-L256 VanDerWaalsContact OG1-CD1 3.3Å; T248-L256 WeakPolarHBondContact OG1-CD1 3.45Å; P250-L256 HydrophobicContact CB-CB 4.49Å; L256-A258 PolarHBondContact O-N 2.88Å; L256-N269 WeakPolarHBondContact CG-ND2 3.43Å; L256-P272 HydrophobicContact CD2-CB 3.88Å; L256-P272 HydrophobicContact CD2-CG 3.66Å |
| 257 | E | 76 | Confident | 78.9 | Confident | 23 Ų | 23 | 65 Ų | 65 | 11% | 0.107 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 125.9 | 179.7 | -177.1 | 53.1 | -144.3 | 0 | 0 | 110.8 | Y232 T248 K255 K260 L267 N269 | Y232-E257 HydrophobicContact CD2-CG 4.21Å; T248-E257 HydrophobicContact CG2-CB 4.02Å; K255-E257 PolarHBondContact O-N 3.02Å; E257-K260 WeakPolarHBondContact OE1-CE 3.4Å; E257-K260 IonicContact OE1-NZ 2.74Å; E257-L267 HydrophobicContact CG-CD2 4.08Å; E257-N269 WeakPolarHBondContact O-CB 3Å; E257-N269 PolarHBondContact O-ND2 2.98Å |
| 258 | A | 76.3 | Confident | 79 | Confident | 58 Ų | 58 | 65 Ų | 65 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 137.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L256 K260 | L256-A258 PolarHBondContact O-N 2.88Å; A258-K260 PolarHBondContact O-N 3.38Å |
| 259 | S | 83.3 | Confident | 79.1 | Confident | 20 Ų | 20 | 64.9 Ų | 64.9 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 130.7 | 172.5 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | L267 N269 | S259-L267 CarbonylContact C-O 3.51Å; S259-L267 WeakPolarHBondContact CA-O 3.43Å; S259-L267 WeakPolarHBondContact CB-O 3.5Å; S259-N269 PolarHBondContact OG-N 3.34Å |
| 260 | K | 86.6 | Confident | 79.5 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 34% | 0.335 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -105.2 | 100.3 | 178.1 | -52.9 | -67 | -176.7 | 176.9 | 0 | 108.9 | E257 A258 T263 K266 L267 | E257-K260 WeakPolarHBondContact OE1-CE 3.4Å; E257-K260 IonicContact OE1-NZ 2.74Å; A258-K260 PolarHBondContact O-N 3.38Å; K260-T263 PolarHBondContact O-OG1 2.95Å; K260-K266 WeakPolarHBondContact O-CA 3.44Å; K260-L267 HydrophobicContact CB-CB 4.18Å; K260-L267 HydrophobicContact CG-CB 4.44Å; K260-L267 HydrophobicContact CG-CD2 4.43Å; K260-L267 PolarHBondContact N-O 3.16Å; K260-L267 PolarHBondContact O-N 3.23Å |
| 261 | C | 86.8 | Confident | 80 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 22% | 0.216 | 33% | 0.33 | C | S | . | . | trans | -102.3 | -10.5 | -169 | -61.3 | 0 | 0 | 0 | 0 | 114.8 | K266 C341 | C261-K266 WeakPolarHBondContact O-CE 3.44Å; C261-C341 WeakPolarHBondContact CA-SG 3.11Å; C261-C341 HydrophobicContact CB-CB 3.62Å; C261-C341 WeakPolarHBondContact CB-SG 3.47Å; C261-C341 WeakPolarHBondContact SG-CA 3.14Å; C261-C341 WeakPolarHBondContact SG-CB 3.09Å; C261-C341 CovalentContact SG-SG 2.03Å; C261-C341 PolarHBondContact SG-SG 3.43Å | ||
| 262 | S | 86.8 | Confident | 80.7 | Confident | 121 Ų | 121 | 63.8 Ų | 63.8 | 85% | 0.846 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -91.7 | -10.6 | -176.6 | 52.8 | 0 | 0 | 0 | 0 | 114 | ||
| 263 | T | 86.2 | Confident | 81.6 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 31% | 0.307 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -79.8 | 156.4 | 176.7 | 49.7 | 0 | 0 | 0 | 0 | 111.3 | K260 Y265 | K260-T263 PolarHBondContact O-OG1 2.95Å; T263-Y265 VanDerWaalsContact C-N 3.26Å; T263-Y265 WeakPolarHBondContact CB-O 3.48Å; T263-Y265 PolarHBondContact O-N 3.02Å; T263-Y265 PolarHBondContact OG1-O 3.11Å |
| 264 | V | 92 | Very high | 82.9 | Confident | 126 Ų | 126 | 57.7 Ų | 57.7 | 76% | 0.764 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -57.3 | -43 | 175 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 265 | Y | 94.9 | Very high | 84 | Confident | 72 Ų | 72 | 59.8 Ų | 59.8 | 28% | 0.282 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -106.2 | 112 | 173 | -57.7 | -66.6 | 0 | 0 | 0 | 108.6 | P238 K241 Q242 T263 | P238-Y265 HydrophobicContact CB-CD2 4.49Å; K241-Y265 VanDerWaalsContact CA-CE1 3.47Å; K241-Y265 HydrophobicContact CB-CE1 3.92Å; K241-Y265 HydrophobicContact CB-CE2 4.16Å; K241-Y265 WeakPolarHBondContact CB-OH 3.3Å; K241-Y265 HydrophobicContact CG-CE2 4.19Å; K241-Y265 WeakPolarHBondContact O-CD1 3.44Å; K241-Y265 WeakPolarHBondContact O-CE1 3.35Å; Q242-Y265 VanDerWaalsContact N-CD1 3.32Å; Q242-Y265 WeakPolarHBondContact O-CB 3.05Å; T263-Y265 VanDerWaalsContact C-N 3.26Å; T263-Y265 WeakPolarHBondContact CB-O 3.48Å; T263-Y265 PolarHBondContact O-N 3.02Å; T263-Y265 PolarHBondContact OG1-O 3.11Å |
| 266 | K | 93.6 | Very high | 84.9 | Confident | 77 Ų | 77 | 50.8 Ų | 50.8 | 34% | 0.335 | 29% | 0.29 | S | S | . | . | trans | -82.9 | 146.3 | -171.1 | -59.2 | -177 | 180 | -175.3 | 0 | 111.2 | S243 L244 K260 C261 C341 | S243-K266 CarbonylContact C-O 3.57Å; S243-K266 WeakPolarHBondContact CA-O 3.45Å; S243-K266 WeakPolarHBondContact CB-O 3.36Å; S243-K266 PolarHBondContact OG-N 2.94Å; S243-K266 VanDerWaalsContact OG-N 3.13Å; L244-K266 PolarHBondContact N-O 2.91Å; K260-K266 WeakPolarHBondContact O-CA 3.44Å; C261-K266 WeakPolarHBondContact O-CE 3.44Å; K266-C341 HydrophobicContact CD-CB 4.08Å | ||
| 267 | L | 89.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.5 | 166.2 | -177.8 | 69.9 | 0 | 0 | 0 | 108.5 | Y232 L244 A246 E257 S259 K260 | Y232-L267 VanDerWaalsContact CB-CD2 3.42Å; Y232-L267 HydrophobicContact CD2-CD2 4.49Å; Y232-L267 HydrophobicContact CG-CD1 4.49Å; Y232-L267 HydrophobicContact CG-CD2 4.16Å; L244-L267 HydrophobicContact CB-CD1 4.08Å; A246-L267 HydrophobicContact CB-CD1 3.81Å; E257-L267 HydrophobicContact CG-CD2 4.08Å; S259-L267 CarbonylContact C-O 3.51Å; S259-L267 WeakPolarHBondContact CA-O 3.43Å; S259-L267 WeakPolarHBondContact CB-O 3.5Å; K260-L267 HydrophobicContact CB-CB 4.18Å; K260-L267 HydrophobicContact CG-CB 4.44Å; K260-L267 HydrophobicContact CG-CD2 4.43Å; K260-L267 PolarHBondContact N-O 3.16Å; K260-L267 PolarHBondContact O-N 3.23Å |
| 268 | E | 90.2 | Very high | 86.2 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115.6 | 175.1 | -69.9 | 179.1 | 171.3 | 0 | 0 | 109.7 | L244 I245 A246 K296 I338 C341 | L244-E268 PolarHBondContact O-N 3.4Å; I245-E268 CarbonylContact C-O 3.48Å; I245-E268 VanDerWaalsContact CA-O 3.22Å; I245-E268 WeakPolarHBondContact CA-O 3.45Å; A246-E268 PolarHBondContact N-O 2.92Å; E268-K296 IonicContact OE1-NZ 2.88Å; E268-K296 PolarHBondContact OE1-NZ 3.16Å; E268-K296 WeakPolarHBondContact OE2-CD 3.45Å; E268-K296 VanDerWaalsContact OE2-CE 3.27Å; E268-K296 WeakPolarHBondContact OE2-CE 3.46Å; E268-K296 IonicContact OE2-NZ 3.79Å; E268-K296 PolarHBondContact OE2-NZ 2.82Å; E268-I338 HydrophobicContact CB-CG2 3.63Å; E268-C341 HydrophobicContact CG-CB 4.29Å; E268-C341 WeakPolarHBondContact CG-SG 2.99Å; E268-C341 VanDerWaalsContact OE1-CB 3.26Å; E268-C341 WeakPolarHBondContact OE1-CB 3.34Å; E268-C341 PolarHBondContact OE1-N 3.47Å |
| 269 | N | 87.4 | Confident | 86.7 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 143.4 | 172.5 | -154.1 | -36 | 0 | 0 | 0 | 109.7 | A246 T248 L256 E257 S259 L339 | A246-N269 WeakPolarHBondContact O-CA 3.46Å; A246-N269 PolarHBondContact O-OD1 3.37Å; T248-N269 PolarHBondContact OG1-ND2 3.12Å; L256-N269 WeakPolarHBondContact CG-ND2 3.43Å; E257-N269 WeakPolarHBondContact O-CB 3Å; E257-N269 PolarHBondContact O-ND2 2.98Å; S259-N269 PolarHBondContact OG-N 3.34Å; N269-L339 WeakPolarHBondContact O-CB 3.37Å; N269-L339 PolarHBondContact O-N 3.09Å; N269-L339 VanDerWaalsContact O-N 3.13Å |
| 270 | V | 87.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -55 | 149.1 | 163.2 | 174 | 0 | 0 | 0 | 0 | 108.4 | I245 A246 W247 S274 I276 R285 W292 Q336 E337 | I245-V270 HydrophobicContact CG2-CG2 3.75Å; A246-V270 PolarHBondContact O-N 2.99Å; W247-V270 HydrophobicContact CE3-CB 3.8Å; W247-V270 HydrophobicContact CE3-CG1 3.6Å; W247-V270 HydrophobicContact CE3-CG2 4.24Å; W247-V270 HydrophobicContact CZ3-CB 4.31Å; W247-V270 HydrophobicContact CZ3-CG1 3.64Å; V270-S274 WeakPolarHBondContact CG1-OG 3.44Å; V270-I276 HydrophobicContact CG1-CG2 4.21Å; V270-R285 PolarHBondContact O-NH2 2.86Å; V270-W292 HydrophobicContact CG2-CH2 4.28Å; V270-Q336 HydrophobicContact CG2-CB 4.39Å; V270-E337 WeakPolarHBondContact CG1-O 3.37Å |
| 271 | K | 83.5 | Confident | 86.8 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 146.1 | -173.4 | -64.8 | 176.7 | -171 | 164.8 | 0 | 111.7 | D273 S274 R285 E337 L339 | K271-D273 VanDerWaalsContact C-N 3.34Å; K271-D273 PolarHBondContact O-N 2.77Å; K271-S274 PolarHBondContact N-OG 3.16Å; K271-S274 PolarHBondContact O-N 3.25Å; K271-S274 PolarHBondContact O-OG 3.21Å; K271-R285 PolarHBondContact O-NE 2.84Å; K271-R285 PolarHBondContact O-NH2 2.91Å; K271-E337 HydrophobicContact CD-CB 4.35Å; K271-E337 PolarHBondContact N-O 3.15Å; K271-E337 VanDerWaalsContact N-O 3.16Å; K271-E337 IonicContact NZ-OE2 2.7Å; K271-E337 PolarHBondContact NZ-OE2 2.74Å; K271-L339 HydrophobicContact CG-CB 4.14Å; K271-L339 HydrophobicContact CG-CD1 4.31Å |
| 272 | P | 77.1 | Confident | 86.9 | Confident | 69 Ų | 69 | 59.2 Ų | 59.2 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -46.9 | -179.7 | -23.6 | 30.3 | 0 | 0 | 0 | 113.3 | L256 R285 | L256-P272 HydrophobicContact CD2-CB 3.88Å; L256-P272 HydrophobicContact CD2-CG 3.66Å; P272-R285 PolarHBondContact O-NE 2.91Å |
| 273 | D | 78.1 | Confident | 87 | Confident | 165 Ų | 165 | 53.5 Ų | 53.5 | 88% | 0.882 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 5 | -174 | -50.4 | -46.8 | 0 | 0 | 0 | 113.8 | K271 | K271-D273 VanDerWaalsContact C-N 3.34Å; K271-D273 PolarHBondContact O-N 2.77Å |
| 274 | S | 81 | Confident | 87.1 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -84 | 143.5 | 179 | 59.6 | 0 | 0 | 0 | 0 | 111.6 | V270 K271 | V270-S274 WeakPolarHBondContact CG1-OG 3.44Å; K271-S274 PolarHBondContact N-OG 3.16Å; K271-S274 PolarHBondContact O-N 3.25Å; K271-S274 PolarHBondContact O-OG 3.21Å |
| 275 | V | 85.4 | Confident | 86.8 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 38% | 0.382 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -81.6 | 150.3 | 159.8 | -63 | 0 | 0 | 0 | 0 | 109.7 | N282 T284 | V275-N282 HydrophobicContact CB-CB 4.49Å; V275-N282 HydrophobicContact CG2-CB 4.37Å; V275-T284 HydrophobicContact CG1-CG2 3.92Å |
| 276 | I | 88.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 147.4 | 165.7 | 57.4 | 169.2 | 0 | 0 | 0 | 109.6 | W247 V270 V278 N282 V283 W292 Q336 | W247-I276 HydrophobicContact CD2-CD1 4.23Å; W247-I276 HydrophobicContact CD2-CG2 3.99Å; W247-I276 HydrophobicContact CE3-CG2 3.42Å; W247-I276 VanDerWaalsContact CE3-CG2 3.42Å; W247-I276 HydrophobicContact CH2-CB 4.25Å; W247-I276 HydrophobicContact CH2-CD1 4.35Å; W247-I276 HydrophobicContact CH2-CG1 3.9Å; W247-I276 HydrophobicContact CH2-CG2 3.6Å; W247-I276 HydrophobicContact CZ2-CD1 3.82Å; W247-I276 HydrophobicContact CZ2-CG1 3.79Å; W247-I276 HydrophobicContact CZ2-CG2 4.14Å; W247-I276 HydrophobicContact CZ3-CB 4.35Å; W247-I276 HydrophobicContact CZ3-CG1 4.44Å; W247-I276 HydrophobicContact CZ3-CG2 3.25Å; V270-I276 HydrophobicContact CG1-CG2 4.21Å; I276-V278 HydrophobicContact CD1-CG2 4.25Å; I276-N282 CarbonylContact O-C 3.48Å; I276-N282 WeakPolarHBondContact O-CA 3.49Å; I276-V283 HydrophobicContact CG1-CB 4.07Å; I276-V283 WeakPolarHBondContact CG1-O 3.38Å; I276-V283 PolarHBondContact N-O 3.31Å; I276-V283 PolarHBondContact O-N 3.21Å; I276-W292 HydrophobicContact CD1-CZ2 3.95Å; I276-W292 HydrophobicContact CG2-CZ2 4.1Å; I276-Q336 HydrophobicContact CG2-CG 4.26Å; I276-Q336 VanDerWaalsContact CG2-OE1 3.3Å |
| 277 | T | 88.6 | Confident | 85.9 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 119.7 | 172.6 | -54.9 | 0 | 0 | 0 | 0 | 108.4 | K279 K281 N282 Q336 | T277-K279 WeakPolarHBondContact CG2-O 3.12Å; T277-K281 WeakPolarHBondContact CA-O 3.36Å; T277-N282 PolarHBondContact OG1-OD1 3.49Å; T277-Q336 VanDerWaalsContact N-OE1 3.1Å; T277-Q336 PolarHBondContact O-NE2 2.99Å |
| 278 | V | 87.9 | Confident | 85.8 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 111.5 | 172.1 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | Y38 Y49 W58 I276 D280 K281 | Y38-V278 HydrophobicContact CD1-CB 4.4Å; Y38-V278 HydrophobicContact CD1-CG1 4.1Å; Y38-V278 HydrophobicContact CD1-CG2 4.29Å; Y38-V278 HydrophobicContact CD2-CG1 4.06Å; Y38-V278 HydrophobicContact CD2-CG2 3.95Å; Y38-V278 HydrophobicContact CE1-CB 4.47Å; Y38-V278 HydrophobicContact CE1-CG2 4.02Å; Y38-V278 HydrophobicContact CE2-CG2 3.65Å; Y38-V278 HydrophobicContact CG-CB 4.47Å; Y38-V278 HydrophobicContact CG-CG1 3.81Å; Y38-V278 HydrophobicContact CG-CG2 4.28Å; Y49-V278 HydrophobicContact CD2-CG1 4.13Å; Y49-V278 WeakPolarHBondContact CE2-O 3.25Å; W58-V278 HydrophobicContact CD2-CG1 4.26Å; W58-V278 HydrophobicContact CH2-CG1 4.23Å; W58-V278 HydrophobicContact CZ2-CG1 3.6Å; I276-V278 HydrophobicContact CD1-CG2 4.25Å; V278-D280 PolarHBondContact O-N 3.5Å; V278-K281 PolarHBondContact N-O 3.38Å; V278-K281 PolarHBondContact O-N 3Å |
| 279 | K | 87.2 | Confident | 85.6 | Confident | 60 Ų | 60 | 53.2 Ų | 53.2 | 26% | 0.261 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | -99 | -166.5 | -173.4 | 92.7 | 178.8 | -176.6 | 0 | 110.8 | Y49 W58 D60 T277 | Y49-K279 HydrophobicContact CD1-CB 4.05Å; Y49-K279 HydrophobicContact CD1-CG 4.16Å; Y49-K279 HydrophobicContact CD2-CB 3.9Å; Y49-K279 HydrophobicContact CE1-CB 3.87Å; Y49-K279 HydrophobicContact CE1-CG 3.72Å; Y49-K279 HydrophobicContact CE2-CB 3.74Å; Y49-K279 HydrophobicContact CE2-CG 4.41Å; Y49-K279 HydrophobicContact CG-CB 4.07Å; W58-K279 HydrophobicContact CB-CB 4.04Å; W58-K279 HydrophobicContact CB-CD 3.54Å; W58-K279 HydrophobicContact CB-CG 4.35Å; W58-K279 HydrophobicContact CG-CB 4.32Å; W58-K279 PolarHBondContact O-NZ 2.81Å; D60-K279 IonicContact OD1-NZ 3.57Å; D60-K279 PolarHBondContact OD1-NZ 2.82Å; T277-K279 WeakPolarHBondContact CG2-O 3.12Å |
| 280 | D | 83.8 | Confident | 85.6 | Confident | 130 Ų | 130 | 53 Ų | 53 | 70% | 0.695 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | 3.4 | -178.7 | -55.5 | -50.3 | 0 | 0 | 0 | 112.7 | V278 | V278-D280 PolarHBondContact O-N 3.5Š|
| 281 | K | 87.1 | Confident | 85.7 | Confident | 84 Ų | 84 | 53.9 Ų | 53.9 | 37% | 0.365 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121 | -176.2 | -171.4 | 72.2 | 174.3 | -170.8 | 0 | 111.4 | I40 Y49 T277 V278 V283 | I40-K281 HydrophobicContact CD1-CB 4.27Å; I40-K281 HydrophobicContact CD1-CG 4.27Å; I40-K281 HydrophobicContact CG2-CD 4.2Å; I40-K281 HydrophobicContact CG2-CG 4.12Å; Y49-K281 HydrophobicContact CE2-CB 3.95Å; T277-K281 WeakPolarHBondContact CA-O 3.36Å; V278-K281 PolarHBondContact N-O 3.38Å; V278-K281 PolarHBondContact O-N 3Å; K281-V283 HydrophobicContact CG-CG2 4.09Å |
| 282 | N | 89.7 | Confident | 86 | Confident | 92 Ų | 92 | 51.4 Ų | 51.4 | 49% | 0.492 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 128.7 | 167.5 | -69.2 | -13.3 | 0 | 0 | 0 | 110.3 | V275 I276 T277 | V275-N282 HydrophobicContact CB-CB 4.49Å; V275-N282 HydrophobicContact CG2-CB 4.37Å; I276-N282 CarbonylContact O-C 3.48Å; I276-N282 WeakPolarHBondContact O-CA 3.49Å; T277-N282 PolarHBondContact OG1-OD1 3.49Å |
| 283 | V | 88.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 131.5 | 178.8 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | Y38 P41 A144 I276 K281 Q287 D288 | Y38-V283 HydrophobicContact CE1-CG2 4Å; P41-V283 HydrophobicContact CG-CG1 4.45Å; A144-V283 HydrophobicContact CB-CG1 3.92Å; I276-V283 HydrophobicContact CG1-CB 4.07Å; I276-V283 WeakPolarHBondContact CG1-O 3.38Å; I276-V283 PolarHBondContact N-O 3.31Å; I276-V283 PolarHBondContact O-N 3.21Å; K281-V283 HydrophobicContact CG-CG2 4.09Å; V283-Q287 HydrophobicContact CG1-CB 4.03Å; V283-D288 HydrophobicContact CG1-CB 3.96Å |
| 284 | T | 88.3 | Confident | 87.5 | Confident | 43 Ų | 43 | 40.3 Ų | 40.3 | 26% | 0.264 | 21% | 0.208 | S | C | . | . | trans | -88.6 | 160.3 | 175.6 | 59.4 | 0 | 0 | 0 | 0 | 110.6 | V275 E286 Q287 D288 | V275-T284 HydrophobicContact CG1-CG2 3.92Å; T284-E286 WeakPolarHBondContact CB-OE2 3.47Å; T284-E286 PolarHBondContact O-N 2.81Å; T284-Q287 VanDerWaalsContact N-OE1 3.09Å; T284-Q287 PolarHBondContact O-N 3.36Å; T284-Q287 WeakPolarHBondContact OG1-CG 3.21Å; T284-Q287 PolarHBondContact OG1-N 2.8Å; T284-Q287 PolarHBondContact OG1-OE1 2.9Å; T284-D288 PolarHBondContact O-N 3Å; T284-D288 VanDerWaalsContact O-N 3.09Å | ||
| 285 | R | 85.3 | Confident | 88.1 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 4% | 0.038 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -30.5 | 176.2 | -69.7 | -177.4 | -170.5 | -86.1 | -1 | 112.6 | W247 T248 K249 V270 K271 P272 | W247-R285 HydrophobicContact CE3-CG 4.33Å; W247-R285 HydrophobicContact CH2-CB 4.22Å; W247-R285 HydrophobicContact CH2-CG 3.15Å; W247-R285 HydrophobicContact CZ2-CB 4.09Å; W247-R285 HydrophobicContact CZ2-CG 3.36Å; W247-R285 HydrophobicContact CZ3-CG 3.66Å; T248-R285 PolarHBondContact O-NH1 2.71Å; K249-R285 VanDerWaalsContact CE-O 3.31Å; K249-R285 WeakPolarHBondContact CE-O 3.33Å; K249-R285 PolarHBondContact NZ-O 2.91Å; V270-R285 PolarHBondContact O-NH2 2.86Å; K271-R285 PolarHBondContact O-NE 2.84Å; K271-R285 PolarHBondContact O-NH2 2.91Å; P272-R285 PolarHBondContact O-NE 2.91Å |
| 286 | E | 84.1 | Confident | 88.5 | Confident | 146 Ų | 146 | 40.1 Ų | 40.1 | 68% | 0.682 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -42.2 | 179.1 | -67 | 71.9 | -159.5 | 0 | 0 | 110.7 | K249 T284 | K249-E286 PolarHBondContact NZ-O 3.03Å; T284-E286 WeakPolarHBondContact CB-OE2 3.47Å; T284-E286 PolarHBondContact O-N 2.81Å |
| 287 | Q | 86.8 | Confident | 88.6 | Confident | 86 Ų | 86 | 47.9 Ų | 47.9 | 40% | 0.402 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -38 | 179.4 | -71.8 | 167.9 | -40 | 0 | 0 | 112.5 | P41 A144 V283 T284 | P41-Q287 HydrophobicContact CB-CB 4.2Å; P41-Q287 HydrophobicContact CB-CG 4.41Å; P41-Q287 HydrophobicContact CG-CB 4.19Å; P41-Q287 HydrophobicContact CG-CG 4.5Å; A144-Q287 HydrophobicContact CB-CB 4.46Å; A144-Q287 WeakPolarHBondContact CB-O 3.25Å; A144-Q287 PolarHBondContact N-O 3.03Å; V283-Q287 HydrophobicContact CG1-CB 4.03Å; T284-Q287 VanDerWaalsContact N-OE1 3.09Å; T284-Q287 PolarHBondContact O-N 3.36Å; T284-Q287 WeakPolarHBondContact OG1-CG 3.21Å; T284-Q287 PolarHBondContact OG1-N 2.8Å; T284-Q287 PolarHBondContact OG1-OE1 2.9Å |
| 288 | D | 87.1 | Confident | 88.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -78.3 | 124.2 | -176.8 | -164.7 | 2.9 | 0 | 0 | 0 | 112.4 | Y38 W247 K249 V283 T284 A290 | Y38-D288 PolarHBondContact OH-OD2 3.32Å; Y38-D288 VanDerWaalsContact OH-OD2 3.14Å; W247-D288 HydrophobicContact CZ2-CB 4.43Å; W247-D288 PolarHBondContact NE1-OD2 3.07Å; K249-D288 WeakPolarHBondContact CD-O 3.48Å; K249-D288 PolarHBondContact NZ-O 2.86Å; V283-D288 HydrophobicContact CG1-CB 3.96Å; T284-D288 PolarHBondContact O-N 3Å; T284-D288 VanDerWaalsContact O-N 3.09Å; D288-A290 WeakPolarHBondContact OD1-CB 3.38Å; D288-A290 PolarHBondContact OD1-N 3.11Å |
| 289 | T | 85.5 | Confident | 89 | Confident | 38 Ų | 38 | 53.7 Ų | 53.7 | 23% | 0.233 | 26% | 0.26 | C | S | . | . | trans | -88.1 | -17.4 | 173.6 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | S125 D143 A144 G145 | S125-T289 PolarHBondContact OG-OG1 3.13Å; D143-T289 HydrophobicContact CB-CG2 4.38Å; A144-T289 WeakPolarHBondContact O-CB 3.2Å; A144-T289 WeakPolarHBondContact O-CG2 3.35Å; A144-T289 PolarHBondContact O-N 3.03Å; A144-T289 PolarHBondContact O-OG1 2.94Å; G145-T289 VanDerWaalsContact CA-OG1 3.28Å; G145-T289 WeakPolarHBondContact CA-OG1 3.42Å | ||
| 290 | A | 87.9 | Confident | 89.3 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | trans | -83.2 | 155.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L146 D288 | L146-A290 HydrophobicContact CB-CB 3.95Å; L146-A290 HydrophobicContact CD1-CB 3.78Å; L146-A290 HydrophobicContact CG-CB 3.89Å; D288-A290 WeakPolarHBondContact OD1-CB 3.38Å; D288-A290 PolarHBondContact OD1-N 3.11Å | ||
| 291 | R | 88.5 | Confident | 89.8 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | trans | -123.4 | 131.4 | 163 | -62.4 | 171.2 | -176.6 | 73.5 | 1.4 | 106.8 | W247 K249 I306 V307 D309 | W247-R291 VanDerWaalsContact O-CA 3.29Å; W247-R291 WeakPolarHBondContact O-CA 3.36Å; K249-R291 HydrophobicContact CB-CG 4.43Å; R291-I306 WeakPolarHBondContact O-CA 3.46Å; R291-V307 HydrophobicContact CB-CB 4.47Å; R291-V307 PolarHBondContact O-N 2.95Å; R291-D309 IonicContact CZ-OD1 3.59Å; R291-D309 IonicContact CZ-OD2 3.94Å; R291-D309 VanDerWaalsContact CZ-OD2 3.26Å; R291-D309 IonicContact NE-OD1 3.94Å; R291-D309 PolarHBondContact NE-OD1 3.08Å; R291-D309 VanDerWaalsContact NH1-CG 3.28Å; R291-D309 IonicContact NH1-OD1 2.82Å; R291-D309 IonicContact NH1-OD2 3.1Å; R291-D309 PolarHBondContact NH1-OD2 2.85Å; R291-D309 IonicContact NH2-OD1 2.66Å; R291-D309 PolarHBondContact NH2-OD1 3.19Å; R291-D309 IonicContact NH2-OD2 2.77Å; R291-D309 PolarHBondContact NH2-OD2 2.85Å | ||
| 292 | W | 90.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 156.9 | -177.6 | 53.5 | -102.4 | 0 | 0 | 0 | 111 | L146 W247 V270 I276 I294 C305 W333 Q336 | L146-W292 HydrophobicContact CD1-CB 4.19Å; L146-W292 HydrophobicContact CD1-CG 4.31Å; W247-W292 HydrophobicContact CB-CD2 3.51Å; W247-W292 HydrophobicContact CB-CE3 3.84Å; W247-W292 HydrophobicContact CB-CG 4.12Å; W247-W292 HydrophobicContact CB-CH2 3.67Å; W247-W292 HydrophobicContact CB-CZ2 3.37Å; W247-W292 HydrophobicContact CB-CZ3 3.9Å; W247-W292 AromaticContact CD1-CD1 3.7Å; W247-W292 AromaticContact CD1-CE2 3.76Å; W247-W292 AromaticContact CD1-NE1 3.25Å; W247-W292 VanDerWaalsContact CD1-NE1 3.25Å; W247-W292 HydrophobicContact CD2-CZ2 4.2Å; W247-W292 HydrophobicContact CG-CD2 4.24Å; W247-W292 AromaticContact CG-CE2 3.56Å; W247-W292 HydrophobicContact CG-CH2 4.42Å; W247-W292 AromaticContact CG-CZ2 3.7Å; W247-W292 HydrophobicContact CG-CZ2 3.7Å; W247-W292 AromaticContact CG-NE1 3.56Å; W247-W292 PolarHBondContact N-O 2.76Å; W247-W292 AromaticContact NE1-NE1 3.92Å; W247-W292 PolarHBondContact O-N 3.41Å; W247-W292 VanDerWaalsContact O-N 3.15Å; V270-W292 HydrophobicContact CG2-CH2 4.28Å; I276-W292 HydrophobicContact CD1-CZ2 3.95Å; I276-W292 HydrophobicContact CG2-CZ2 4.1Å; W292-I294 HydrophobicContact CE3-CG2 3.96Å; W292-I294 HydrophobicContact CZ3-CD1 4.05Å; W292-I294 HydrophobicContact CZ3-CG1 4.19Å; W292-I294 HydrophobicContact CZ3-CG2 4.17Å; W292-C305 CarbonylContact C-O 3.53Å; W292-C305 WeakPolarHBondContact CA-O 3.07Å; W292-C305 VanDerWaalsContact CB-O 3.22Å; W292-C305 WeakPolarHBondContact CB-O 3.33Å; W292-W333 AromaticContact CD2-CD1 3.67Å; W292-W333 AromaticContact CD2-NE1 3.99Å; W292-W333 AromaticContact CE2-CD1 3.8Å; W292-W333 AromaticContact CE3-CD1 3.77Å; W292-Q336 HydrophobicContact CH2-CG 4.05Å |
| 293 | V | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 135.6 | -177.6 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | Y232 M236 L244 I245 A246 C305 V307 | Y232-V293 HydrophobicContact CD1-CG2 3.56Å; Y232-V293 HydrophobicContact CE1-CG2 3.42Å; Y232-V293 VanDerWaalsContact CE1-CG2 3.42Å; M236-V293 HydrophobicContact CE-CB 4.09Å; M236-V293 HydrophobicContact CE-CG1 4.21Å; M236-V293 HydrophobicContact CE-CG2 4.23Å; L244-V293 HydrophobicContact CB-CG1 3.59Å; L244-V293 HydrophobicContact CD1-CG1 3.67Å; L244-V293 HydrophobicContact CD2-CG1 4.24Å; L244-V293 HydrophobicContact CG-CG1 4.02Å; I245-V293 CarbonylContact O-C 3.56Å; I245-V293 VanDerWaalsContact O-CA 3.28Å; I245-V293 WeakPolarHBondContact O-CA 3.37Å; A246-V293 HydrophobicContact CB-CG2 4.07Å; V293-C305 HydrophobicContact CB-CB 4.01Å; V293-C305 PolarHBondContact N-O 2.75Å; V293-C305 WeakPolarHBondContact O-CB 3.44Å; V293-C305 PolarHBondContact O-N 2.99Å; V293-C305 PolarHBondContact O-SG 3.36Å; V293-V307 HydrophobicContact CB-CG2 4.46Å; V293-V307 HydrophobicContact CG2-CG2 3.66Å |
| 294 | I | 94 | Very high | 90.9 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 153 | 178.3 | 64 | -178.2 | 0 | 0 | 0 | 110.9 | L244 I245 W292 K296 V303 V304 W333 L334 | L244-I294 CarbonylContact C-O 3.56Å; L244-I294 WeakPolarHBondContact CA-O 3.41Å; I245-I294 HydrophobicContact CB-CD1 4.35Å; I245-I294 HydrophobicContact CB-CG1 3.79Å; I245-I294 HydrophobicContact CD1-CD1 4.22Å; I245-I294 HydrophobicContact CD1-CG1 4.22Å; I245-I294 HydrophobicContact CG2-CG1 4.38Å; I245-I294 PolarHBondContact N-O 2.93Å; I245-I294 PolarHBondContact O-N 3.32Å; W292-I294 HydrophobicContact CE3-CG2 3.96Å; W292-I294 HydrophobicContact CZ3-CD1 4.05Å; W292-I294 HydrophobicContact CZ3-CG1 4.19Å; W292-I294 HydrophobicContact CZ3-CG2 4.17Å; I294-K296 PolarHBondContact O-N 2.94Å; I294-V303 WeakPolarHBondContact CA-O 3.05Å; I294-V304 HydrophobicContact CG2-CB 4.5Å; I294-V304 HydrophobicContact CG2-CG1 4.29Å; I294-V304 HydrophobicContact CG2-CG2 4.12Å; I294-W333 HydrophobicContact CD1-CB 3.79Å; I294-W333 WeakPolarHBondContact CD1-O 2.95Å; I294-W333 HydrophobicContact CG2-CB 3.76Å; I294-W333 HydrophobicContact CG2-CG 4.12Å; I294-L334 HydrophobicContact CD1-CD2 3.73Å; I294-L334 HydrophobicContact CD1-CG 4.07Å; I294-L334 HydrophobicContact CG1-CD2 4.37Å |
| 295 | S | 95 | Very high | 91.1 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 127.2 | 170.8 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | Q242 K297 A302 V303 | Q242-S295 PolarHBondContact OE1-OG 3.02Å; S295-K297 PolarHBondContact O-N 3.43Å; S295-A302 WeakPolarHBondContact OG-CA 3.29Å; S295-V303 PolarHBondContact N-O 2.94Å; S295-V303 VanDerWaalsContact N-O 3.13Å; S295-V303 WeakPolarHBondContact OG-CG2 3.45Å; S295-V303 PolarHBondContact OG-N 2.95Å |
| 296 | K | 92.2 | Very high | 91.4 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -64 | -31.3 | 179.1 | -179.2 | 170.4 | 177.7 | 174.2 | 0 | 113 | S243 I245 E268 I294 | S243-K296 VanDerWaalsContact O-CB 3.3Å; S243-K296 WeakPolarHBondContact O-CB 3.17Å; S243-K296 PolarHBondContact O-N 2.71Å; I245-K296 HydrophobicContact CD1-CB 4.09Å; I245-K296 HydrophobicContact CD1-CG 4.08Å; I245-K296 HydrophobicContact CG1-CB 4.06Å; I245-K296 HydrophobicContact CG1-CG 4.22Å; E268-K296 IonicContact OE1-NZ 2.88Å; E268-K296 PolarHBondContact OE1-NZ 3.16Å; E268-K296 WeakPolarHBondContact OE2-CD 3.45Å; E268-K296 VanDerWaalsContact OE2-CE 3.27Å; E268-K296 WeakPolarHBondContact OE2-CE 3.46Å; E268-K296 IonicContact OE2-NZ 3.79Å; E268-K296 PolarHBondContact OE2-NZ 2.82Å; I294-K296 PolarHBondContact O-N 2.94Å |
| 297 | K | 90.9 | Very high | 91.6 | Very high | 164 Ų | 164 | 38.1 Ų | 38.1 | 71% | 0.713 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -105.5 | 132.8 | -177.9 | -70.4 | -174.2 | 177.4 | -177.5 | 0 | 110.1 | S295 S299 | S295-K297 PolarHBondContact O-N 3.43Å; K297-S299 PolarHBondContact O-N 2.78Å |
| 298 | K | 90.6 | Very high | 91.1 | Very high | 137 Ų | 137 | 34.2 Ų | 34.2 | 60% | 0.596 | 17% | 0.174 | S | C | * | . | trans | -59.6 | 123.6 | 164.2 | -177 | 172.4 | -178.2 | 172.9 | 0 | 109.9 | E327 Q331 | K298-E327 WeakPolarHBondContact CD-OE1 3.45Å; K298-E327 WeakPolarHBondContact CE-OE1 3.39Å; K298-E327 HydrophobicContact CG-CG 4Å; K298-E327 WeakPolarHBondContact CG-OE1 3.28Å; K298-Q331 HydrophobicContact CD-CG 4.28Å | ||
| 299 | S | 94.1 | Very high | 89.9 | Confident | 44 Ų | 44 | 36.2 Ų | 36.2 | 31% | 0.308 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -164.8 | 161 | 174.2 | 71.2 | 0 | 0 | 0 | 0 | 109.3 | K297 K301 A302 E327 | K297-S299 PolarHBondContact O-N 2.78Å; S299-K301 PolarHBondContact O-N 2.98Å; S299-K301 PolarHBondContact OG-N 3.48Å; S299-A302 WeakPolarHBondContact O-CB 3.09Å; S299-A302 PolarHBondContact O-N 2.95Å; S299-A302 PolarHBondContact OG-N 2.65Å; S299-E327 WeakPolarHBondContact O-CB 3.42Å; S299-E327 WeakPolarHBondContact O-CG 3.06Å |
| 300 | A | 93.2 | Very high | 88.3 | Confident | 78 Ų | 78 | 35.3 Ų | 35.3 | 65% | 0.645 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -16.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E327 | A300-E327 WeakPolarHBondContact CA-OE2 3.39Å; A300-E327 PolarHBondContact N-OE2 3.42Å |
| 301 | K | 95.8 | Very high | 86.3 | Confident | 137 Ų | 137 | 36.7 Ų | 36.7 | 60% | 0.596 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 9.8 | 176.5 | -60.3 | -169.4 | 179.6 | -172.2 | 0 | 113.2 | Q242 S299 | Q242-K301 PolarHBondContact NE2-O 2.82Å; S299-K301 PolarHBondContact O-N 2.98Å; S299-K301 PolarHBondContact OG-N 3.48Å |
| 302 | A | 96 | Very high | 84.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -63.2 | 144.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | S295 S299 D326 | S295-A302 WeakPolarHBondContact OG-CA 3.29Å; S299-A302 WeakPolarHBondContact O-CB 3.09Å; S299-A302 PolarHBondContact O-N 2.95Å; S299-A302 PolarHBondContact OG-N 2.65Å; A302-D326 CarbonylContact O-C 3.03Å; A302-D326 PolarHBondContact O-N 3.39Å; A302-D326 VanDerWaalsContact O-N 3.07Å | ||
| 303 | V | 96 | Very high | 82.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 151.4 | -174.2 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | L240 I294 S295 C305 L324 E325 | L240-V303 HydrophobicContact CD1-CG2 3.89Å; L240-V303 HydrophobicContact CD2-CG1 4.24Å; L240-V303 HydrophobicContact CD2-CG2 4.39Å; I294-V303 WeakPolarHBondContact CA-O 3.05Å; S295-V303 PolarHBondContact N-O 2.94Å; S295-V303 VanDerWaalsContact N-O 3.13Å; S295-V303 WeakPolarHBondContact OG-CG2 3.45Å; S295-V303 PolarHBondContact OG-N 2.95Å; V303-C305 VanDerWaalsContact CG2-SG 3.52Å; V303-L324 WeakPolarHBondContact CA-O 3.34Å; V303-E325 HydrophobicContact CG1-CB 4.19Å; V303-E325 HydrophobicContact CG1-CG 4.5Å |
| 304 | V | 94.8 | Very high | 79.7 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.9 | 159.5 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | I294 S323 L324 L329 W333 | I294-V304 HydrophobicContact CG2-CB 4.5Å; I294-V304 HydrophobicContact CG2-CG1 4.29Å; I294-V304 HydrophobicContact CG2-CG2 4.12Å; V304-S323 CarbonylContact O-C 3.49Å; V304-S323 WeakPolarHBondContact O-CA 3.44Å; V304-L324 PolarHBondContact N-O 3.09Å; V304-L324 PolarHBondContact O-N 2.9Å; V304-L329 HydrophobicContact CB-CD2 4.24Å; V304-L329 HydrophobicContact CG2-CB 4.38Å; V304-L329 HydrophobicContact CG2-CD2 4.18Å; V304-L329 HydrophobicContact CG2-CG 4Å; V304-W333 HydrophobicContact CG1-CZ2 4.43Å |
| 305 | C | 93.8 | Very high | 77.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141.7 | -176.2 | -24.6 | 0 | 0 | 0 | 0 | 110 | M236 W292 V293 V303 W322 S323 | M236-C305 HydrophobicContact CE-CB 3.69Å; W292-C305 CarbonylContact C-O 3.53Å; W292-C305 WeakPolarHBondContact CA-O 3.07Å; W292-C305 VanDerWaalsContact CB-O 3.22Å; W292-C305 WeakPolarHBondContact CB-O 3.33Å; V293-C305 HydrophobicContact CB-CB 4.01Å; V293-C305 PolarHBondContact N-O 2.75Å; V293-C305 WeakPolarHBondContact O-CB 3.44Å; V293-C305 PolarHBondContact O-N 2.99Å; V293-C305 PolarHBondContact O-SG 3.36Å; V303-C305 VanDerWaalsContact CG2-SG 3.52Å; C305-W322 CarbonylContact C-O 3.56Å; C305-W322 WeakPolarHBondContact CA-O 3.23Å; C305-W322 VanDerWaalsContact CB-O 3.31Å; C305-W322 WeakPolarHBondContact CB-O 2.91Å; C305-S323 WeakPolarHBondContact CB-OG 3.36Å; C305-S323 WeakPolarHBondContact SG-CB 3.4Å; C305-S323 PolarHBondContact SG-OG 3.31Å |
| 306 | I | 90.8 | Very high | 75.4 | Confident | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.046 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.5 | 163.6 | -52.3 | -165.9 | 0 | 0 | 0 | 107.7 | L146 V148 R291 A321 W322 | L146-I306 HydrophobicContact CB-CD1 3.35Å; L146-I306 HydrophobicContact CD1-CD1 3.42Å; L146-I306 VanDerWaalsContact CD1-CD1 3.42Å; L146-I306 HydrophobicContact CD1-CG1 3.99Å; L146-I306 HydrophobicContact CD2-CD1 4.37Å; L146-I306 HydrophobicContact CG-CD1 3.88Å; V148-I306 HydrophobicContact CG2-CD1 3.64Å; R291-I306 WeakPolarHBondContact O-CA 3.46Å; I306-A321 WeakPolarHBondContact O-CA 3.25Å; I306-W322 HydrophobicContact CB-CD2 4.37Å; I306-W322 VanDerWaalsContact CB-CE2 3.48Å; I306-W322 HydrophobicContact CB-CH2 3.91Å; I306-W322 HydrophobicContact CB-CZ2 3.3Å; I306-W322 HydrophobicContact CD1-CH2 3.46Å; I306-W322 VanDerWaalsContact CD1-CH2 3.46Å; I306-W322 HydrophobicContact CD1-CZ2 3.31Å; I306-W322 HydrophobicContact CG1-CH2 3.36Å; I306-W322 HydrophobicContact CG1-CZ2 3.26Å; I306-W322 HydrophobicContact CG1-CZ3 4.24Å; I306-W322 HydrophobicContact CG2-CZ2 4.2Å; I306-W322 PolarHBondContact N-O 3.14Å; I306-W322 PolarHBondContact O-N 3.35Å; I306-W322 VanDerWaalsContact O-N 3.13Å |
| 307 | V | 87.7 | Confident | 73.8 | Confident | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.036 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.2 | -173.5 | -169.3 | 0 | 0 | 0 | 0 | 108.3 | I231 Y232 M236 R291 V293 I320 A321 | I231-V307 HydrophobicContact CD1-CG1 4.33Å; I231-V307 HydrophobicContact CG2-CG1 4.13Å; Y232-V307 HydrophobicContact CD1-CG2 4.49Å; Y232-V307 HydrophobicContact CE1-CB 3.94Å; Y232-V307 HydrophobicContact CE1-CG1 3.71Å; Y232-V307 HydrophobicContact CE1-CG2 3.71Å; M236-V307 HydrophobicContact CE-CG2 4.12Å; M236-V307 HydrophobicContact SD-CG2 4.14Å; R291-V307 HydrophobicContact CB-CB 4.47Å; R291-V307 PolarHBondContact O-N 2.95Å; V293-V307 HydrophobicContact CB-CG2 4.46Å; V293-V307 HydrophobicContact CG2-CG2 3.66Å; V307-I320 WeakPolarHBondContact CA-O 3.34Å; V307-I320 WeakPolarHBondContact CG1-O 3.34Å; V307-A321 HydrophobicContact CB-CB 4.39Å; V307-A321 HydrophobicContact CG1-CB 4.23Å; V307-A321 HydrophobicContact CG2-CB 3.72Å |
| 308 | G | 76.7 | Confident | 72.4 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | trans | -56.2 | 161.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V108 I320 | V108-G308 VanDerWaalsContact CG2-CA 3.46Å; G308-I320 PolarHBondContact N-O 3.41Å | ||
| 309 | D | 62 | Low | 71.6 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | trans | -53 | 147.4 | 165.7 | -150.1 | -26.2 | 0 | 0 | 0 | 110.1 | P107 R291 | P107-D309 HydrophobicContact CB-CB 3.42Å; P107-D309 VanDerWaalsContact CB-CB 3.42Å; P107-D309 VanDerWaalsContact CG-C 3.4Å; P107-D309 HydrophobicContact CG-CB 3.32Å; P107-D309 WeakPolarHBondContact CG-O 3.34Å; R291-D309 IonicContact CZ-OD1 3.59Å; R291-D309 IonicContact CZ-OD2 3.94Å; R291-D309 VanDerWaalsContact CZ-OD2 3.26Å; R291-D309 IonicContact NE-OD1 3.94Å; R291-D309 PolarHBondContact NE-OD1 3.08Å; R291-D309 VanDerWaalsContact NH1-CG 3.28Å; R291-D309 IonicContact NH1-OD1 2.82Å; R291-D309 IonicContact NH1-OD2 3.1Å; R291-D309 PolarHBondContact NH1-OD2 2.85Å; R291-D309 IonicContact NH2-OD1 2.66Å; R291-D309 PolarHBondContact NH2-OD1 3.19Å; R291-D309 IonicContact NH2-OD2 2.77Å; R291-D309 PolarHBondContact NH2-OD2 2.85Å | ||
| 310 | I | 52.5 | Low | 70.8 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | trans | -114.6 | 106.7 | 163 | -52.6 | 176.1 | 0 | 0 | 0 | 101.3 | I231 Y232 L312 | I231-I310 HydrophobicContact CB-CD1 4.49Å; I231-I310 HydrophobicContact CG2-CD1 3.33Å; I231-I310 HydrophobicContact CG2-CG1 4.15Å; Y232-I310 HydrophobicContact CD2-CD1 3.87Å; Y232-I310 HydrophobicContact CE2-CD1 3.28Å; Y232-I310 HydrophobicContact CE2-CG1 4.39Å; I310-L312 HydrophobicContact CB-CG 4.27Å; I310-L312 HydrophobicContact CG2-CD2 3.89Å; I310-L312 HydrophobicContact CG2-CG 3.88Å; I310-L312 PolarHBondContact O-N 2.81Å | ||
| 311 | A | 46.6 | Very low | 70.4 | Confident | 30 Ų | 30 | 38.1 Ų | 38.1 | 25% | 0.248 | 19% | 0.191 | C | C | . | . | trans | -67.3 | 78.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | E254 L313 M314 A317 | E254-A311 WeakPolarHBondContact OE1-CA 3.45Å; A311-L313 PolarHBondContact O-N 2.9Å; A311-L313 VanDerWaalsContact O-N 3.08Å; A311-M314 HydrophobicContact CB-CB 4.39Å; A311-M314 CarbonylContact O-C 3.48Å; A311-M314 WeakPolarHBondContact O-CA 3.38Å; A311-M314 WeakPolarHBondContact O-CB 3.4Å; A311-M314 PolarHBondContact O-N 3.3Å; A311-A317 HydrophobicContact CB-CB 4.15Å | ||
| 312 | L | 44.6 | Very low | 70.2 | Confident | 66 Ų | 66 | 31.9 Ų | 31.9 | 35% | 0.346 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -26.8 | 177.4 | -74.7 | 161.7 | 0 | 0 | 0 | 113 | E254 I310 M314 E315 | E254-L312 HydrophobicContact CB-CB 4.19Å; E254-L312 HydrophobicContact CB-CD1 4.33Å; E254-L312 HydrophobicContact CG-CB 3.71Å; E254-L312 PolarHBondContact OE1-N 3.19Å; E254-L312 PolarHBondContact OE2-N 2.85Å; I310-L312 HydrophobicContact CB-CG 4.27Å; I310-L312 HydrophobicContact CG2-CD2 3.89Å; I310-L312 HydrophobicContact CG2-CG 3.88Å; I310-L312 PolarHBondContact O-N 2.81Å; L312-M314 CarbonylContact O-C 3.39Å; L312-M314 PolarHBondContact O-N 3.06Å; L312-E315 PolarHBondContact O-N 2.98Å |
| 313 | L | 44.3 | Very low | 70.1 | Confident | 118 Ų | 118 | 31.9 Ų | 31.9 | 62% | 0.618 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.7 | 171.3 | -96.8 | -152.7 | 0 | 0 | 0 | 112.7 | T253 E254 A311 | T253-L313 HydrophobicContact CG2-CD1 3.57Å; T253-L313 HydrophobicContact CG2-CG 4.45Å; T253-L313 WeakPolarHBondContact OG1-CD1 3.08Å; E254-L313 HydrophobicContact CG-CB 4.29Å; E254-L313 HydrophobicContact CG-CG 4.09Å; E254-L313 PolarHBondContact OE1-N 2.73Å; A311-L313 PolarHBondContact O-N 2.9Å; A311-L313 VanDerWaalsContact O-N 3.08Å |
| 314 | M | 43.3 | Very low | 70.1 | Confident | 68 Ų | 68 | 32 Ų | 32 | 34% | 0.335 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -93.2 | 88.4 | 157.1 | -67.8 | -172.3 | 45.7 | 0 | 0 | 106 | C104 A311 L312 K316 A317 | C104-M314 HydrophobicContact CB-CE 4.42Å; A311-M314 HydrophobicContact CB-CB 4.39Å; A311-M314 CarbonylContact O-C 3.48Å; A311-M314 WeakPolarHBondContact O-CA 3.38Å; A311-M314 WeakPolarHBondContact O-CB 3.4Å; A311-M314 PolarHBondContact O-N 3.3Å; L312-M314 CarbonylContact O-C 3.39Å; L312-M314 PolarHBondContact O-N 3.06Å; M314-K316 CarbonylContact O-C 3.45Å; M314-K316 PolarHBondContact O-N 3.22Å; M314-A317 HydrophobicContact CB-CB 4.2Å; M314-A317 PolarHBondContact O-N 3.18Å |
| 315 | E | 43.2 | Very low | 70.1 | Confident | 157 Ų | 157 | 33.7 Ų | 33.7 | 73% | 0.734 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50 | 0 | 170.7 | -149.2 | 173.5 | -164.4 | 0 | 0 | 114 | L312 | L312-E315 PolarHBondContact O-N 2.98Š|
| 316 | K | 53.7 | Low | 70.2 | Confident | 122 Ų | 122 | 35.1 Ų | 35.1 | 53% | 0.53 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.6 | 33.4 | -173.2 | -52.8 | 179 | -175 | 177.9 | 0 | 110.7 | A225 M314 | A225-K316 WeakPolarHBondContact CA-O 3.45Å; A225-K316 HydrophobicContact CB-CB 4.21Å; A225-K316 WeakPolarHBondContact CB-O 3.43Å; A225-K316 WeakPolarHBondContact O-CA 3.29Å; A225-K316 WeakPolarHBondContact O-CB 3.45Å; M314-K316 CarbonylContact O-C 3.45Å; M314-K316 PolarHBondContact O-N 3.22Å |
| 317 | A | 58.7 | Low | 70.4 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | trans | -79.1 | 136 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | A311 M314 S319 | A311-A317 HydrophobicContact CB-CB 4.15Å; M314-A317 HydrophobicContact CB-CB 4.2Å; M314-A317 PolarHBondContact O-N 3.18Å; A317-S319 PolarHBondContact O-N 3.24Å; A317-S319 PolarHBondContact O-OG 2.93Å | ||
| 318 | P | 61.7 | Low | 70.7 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | trans | -57 | 141.7 | 166.7 | -20.1 | 31.9 | 0 | 0 | 0 | 110.1 | P107 Q167 D168 M223 A225 | P107-P318 WeakPolarHBondContact CD-O 3.29Å; Q167-P318 WeakPolarHBondContact O-CB 3.37Å; D168-P318 HydrophobicContact CB-CG 4.12Å; M223-P318 CarbonylContact O-C 3.54Å; M223-P318 WeakPolarHBondContact O-CA 3.33Å; M223-P318 WeakPolarHBondContact O-CB 3.41Å; A225-P318 HydrophobicContact CB-CG 4.26Å | ||
| 319 | S | 73.4 | Confident | 71.4 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153.4 | -177.6 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | M223 A317 | M223-S319 PolarHBondContact N-O 2.99Å; M223-S319 PolarHBondContact O-N 2.77Å; A317-S319 PolarHBondContact O-N 3.24Å; A317-S319 PolarHBondContact O-OG 2.93Å |
| 320 | I | 77.6 | Confident | 72.9 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 148.7 | 168.4 | 179.9 | 164.3 | 0 | 0 | 0 | 111 | V108 Q167 F221 V307 G308 | V108-I320 HydrophobicContact CB-CG2 3.36Å; V108-I320 HydrophobicContact CG1-CG2 3.72Å; V108-I320 HydrophobicContact CG2-CG2 2.99Å; Q167-I320 HydrophobicContact CG-CB 4.04Å; Q167-I320 HydrophobicContact CG-CD1 4.07Å; F221-I320 CarbonylContact O-C 3.5Å; F221-I320 WeakPolarHBondContact O-CA 3.11Å; F221-I320 VanDerWaalsContact O-CG1 3.3Å; F221-I320 WeakPolarHBondContact O-CG1 2.95Å; V307-I320 WeakPolarHBondContact CA-O 3.34Å; V307-I320 WeakPolarHBondContact CG1-O 3.34Å; G308-I320 PolarHBondContact N-O 3.41Å |
| 321 | A | 85.6 | Confident | 74.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.3 | 157 | 0 | 0 | 0 | 0 | 0 | 108.1 | F221 I231 M236 I306 V307 | F221-A321 HydrophobicContact CB-CB 4.2Å; F221-A321 WeakPolarHBondContact CB-O 3.28Å; F221-A321 HydrophobicContact CD2-CB 4.06Å; F221-A321 WeakPolarHBondContact CD2-O 3.32Å; F221-A321 HydrophobicContact CG-CB 4.5Å; F221-A321 PolarHBondContact N-O 3.15Å; F221-A321 PolarHBondContact O-N 3.06Å; I231-A321 HydrophobicContact CD1-CB 4.11Å; M236-A321 HydrophobicContact CE-CB 3.45Å; M236-A321 VanDerWaalsContact CE-CB 3.45Å; M236-A321 HydrophobicContact CG-CB 3.98Å; M236-A321 HydrophobicContact SD-CB 3.26Å; M236-A321 WeakPolarHBondContact SD-CB 3.19Å; I306-A321 WeakPolarHBondContact O-CA 3.25Å; V307-A321 HydrophobicContact CB-CB 4.39Å; V307-A321 HydrophobicContact CG1-CB 4.23Å; V307-A321 HydrophobicContact CG2-CB 3.72Å |
| 322 | W | 90.7 | Very high | 76.6 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 143 | 163.8 | 56.9 | -88.6 | 0 | 0 | 0 | 107.4 | W121 I123 V148 V218 H219 L220 C305 I306 | W121-W322 HydrophobicContact CH2-CB 3.86Å; W121-W322 HydrophobicContact CH2-CG 4.04Å; I123-W322 HydrophobicContact CB-CZ2 3.57Å; I123-W322 HydrophobicContact CD1-CD2 3.78Å; I123-W322 HydrophobicContact CD1-CE3 4.23Å; I123-W322 HydrophobicContact CD1-CG 4.21Å; I123-W322 HydrophobicContact CD1-CH2 4.24Å; I123-W322 HydrophobicContact CD1-CZ2 3.69Å; I123-W322 HydrophobicContact CD1-CZ3 4.48Å; I123-W322 HydrophobicContact CG1-CD2 4.09Å; I123-W322 HydrophobicContact CG1-CG 4.19Å; I123-W322 HydrophobicContact CG1-CZ2 3.92Å; I123-W322 HydrophobicContact CG2-CZ2 3.85Å; V148-W322 HydrophobicContact CB-CH2 3.35Å; V148-W322 HydrophobicContact CB-CZ2 3.75Å; V148-W322 HydrophobicContact CB-CZ3 4.29Å; V148-W322 HydrophobicContact CG1-CH2 3.44Å; V148-W322 VanDerWaalsContact CG1-CH2 3.44Å; V148-W322 HydrophobicContact CG1-CZ2 4.22Å; V148-W322 HydrophobicContact CG1-CZ3 3.88Å; V148-W322 HydrophobicContact CG2-CH2 3.45Å; V148-W322 VanDerWaalsContact CG2-CH2 3.45Å; V148-W322 HydrophobicContact CG2-CZ2 3.99Å; V218-W322 HydrophobicContact CG1-CB 4.41Å; H219-W322 CarbonylContact O-C 3.55Å; H219-W322 VanDerWaalsContact O-CA 3.23Å; H219-W322 WeakPolarHBondContact O-CA 3.37Å; L220-W322 HydrophobicContact CD2-CB 3.72Å; C305-W322 CarbonylContact C-O 3.56Å; C305-W322 WeakPolarHBondContact CA-O 3.23Å; C305-W322 VanDerWaalsContact CB-O 3.31Å; C305-W322 WeakPolarHBondContact CB-O 2.91Å; I306-W322 HydrophobicContact CB-CD2 4.37Å; I306-W322 VanDerWaalsContact CB-CE2 3.48Å; I306-W322 HydrophobicContact CB-CH2 3.91Å; I306-W322 HydrophobicContact CB-CZ2 3.3Å; I306-W322 HydrophobicContact CD1-CH2 3.46Å; I306-W322 VanDerWaalsContact CD1-CH2 3.46Å; I306-W322 HydrophobicContact CD1-CZ2 3.31Å; I306-W322 HydrophobicContact CG1-CH2 3.36Å; I306-W322 HydrophobicContact CG1-CZ2 3.26Å; I306-W322 HydrophobicContact CG1-CZ3 4.24Å; I306-W322 HydrophobicContact CG2-CZ2 4.2Å; I306-W322 PolarHBondContact N-O 3.14Å; I306-W322 PolarHBondContact O-N 3.35Å; I306-W322 VanDerWaalsContact O-N 3.13Å |
| 323 | S | 94.4 | Very high | 78.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 116.6 | -170 | -39.4 | 0 | 0 | 0 | 0 | 109.7 | V218 H219 F221 V304 C305 | V218-S323 CarbonylContact C-O 3.45Å; V218-S323 WeakPolarHBondContact CA-O 3.38Å; H219-S323 PolarHBondContact N-O 3.02Å; H219-S323 PolarHBondContact O-N 2.98Å; F221-S323 WeakPolarHBondContact CE2-OG 3.5Å; V304-S323 CarbonylContact O-C 3.49Å; V304-S323 WeakPolarHBondContact O-CA 3.44Å; C305-S323 WeakPolarHBondContact CB-OG 3.36Å; C305-S323 WeakPolarHBondContact SG-CB 3.4Å; C305-S323 PolarHBondContact SG-OG 3.31Å |
| 324 | L | 95.7 | Very high | 80.1 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 121.8 | 173.4 | -179.6 | 62.1 | 0 | 0 | 0 | 108.8 | W34 A216 V218 V303 V304 D326 L329 | W34-L324 HydrophobicContact CD2-CD2 3.72Å; W34-L324 HydrophobicContact CE3-CD2 4.09Å; W34-L324 HydrophobicContact CG-CD2 3.92Å; W34-L324 HydrophobicContact CZ2-CD2 4.43Å; A216-L324 HydrophobicContact CB-CD1 3.99Å; V218-L324 HydrophobicContact CG2-CD1 3.96Å; V303-L324 WeakPolarHBondContact CA-O 3.34Å; V304-L324 PolarHBondContact N-O 3.09Å; V304-L324 PolarHBondContact O-N 2.9Å; L324-D326 HydrophobicContact CG-CB 4.36Å; L324-D326 PolarHBondContact O-N 2.55Å; L324-L329 HydrophobicContact CD2-CD2 3.73Å |
| 325 | E | 96.3 | Very high | 81.1 | Confident | 43 Ų | 43 | 38.9 Ų | 38.9 | 20% | 0.201 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 92.3 | 174.5 | -170.3 | 172.3 | 131.9 | 0 | 0 | 109.7 | K217 H219 V303 | K217-E325 HydrophobicContact CB-CB 4.08Å; K217-E325 WeakPolarHBondContact O-CB 3.43Å; K217-E325 PolarHBondContact O-N 3.2Å; H219-E325 IonicContact CD2-OE2 2.98Å; H219-E325 IonicContact CE1-OE2 3.48Å; H219-E325 IonicContact NE2-OE2 2.78Å; H219-E325 PolarHBondContact NE2-OE2 2.9Å; V303-E325 HydrophobicContact CG1-CB 4.19Å; V303-E325 HydrophobicContact CG1-CG 4.5Å |
| 326 | D | 95.1 | Very high | 82.4 | Confident | 29 Ų | 29 | 32.4 Ų | 32.4 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | trans | -146.8 | 113.5 | 175.5 | -169.8 | -55.2 | 0 | 0 | 0 | 109.9 | W34 A302 L324 Q328 L329 S330 | W34-D326 WeakPolarHBondContact CZ2-OD2 3.46Å; A302-D326 CarbonylContact O-C 3.03Å; A302-D326 PolarHBondContact O-N 3.39Å; A302-D326 VanDerWaalsContact O-N 3.07Å; L324-D326 HydrophobicContact CG-CB 4.36Å; L324-D326 PolarHBondContact O-N 2.55Å; D326-Q328 WeakPolarHBondContact OD1-CA 3.49Å; D326-Q328 PolarHBondContact OD1-N 3.05Å; D326-L329 HydrophobicContact CB-CB 3.83Å; D326-L329 PolarHBondContact OD1-N 3.18Å; D326-S330 VanDerWaalsContact O-CB 3.29Å; D326-S330 WeakPolarHBondContact O-CB 3.19Å; D326-S330 PolarHBondContact O-N 3.4Å | ||
| 327 | E | 94.3 | Very high | 83 | Confident | 60 Ų | 60 | 31.2 Ų | 31.2 | 28% | 0.28 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.9 | -42.2 | -178.5 | -177.7 | 179 | 173.6 | 0 | 0 | 112.2 | K298 S299 A300 S330 Q331 | K298-E327 WeakPolarHBondContact CD-OE1 3.45Å; K298-E327 WeakPolarHBondContact CE-OE1 3.39Å; K298-E327 HydrophobicContact CG-CG 4Å; K298-E327 WeakPolarHBondContact CG-OE1 3.28Å; S299-E327 WeakPolarHBondContact O-CB 3.42Å; S299-E327 WeakPolarHBondContact O-CG 3.06Å; A300-E327 WeakPolarHBondContact CA-OE2 3.39Å; A300-E327 PolarHBondContact N-OE2 3.42Å; E327-S330 PolarHBondContact O-N 2.76Å; E327-Q331 WeakPolarHBondContact O-CG 3.19Å; E327-Q331 PolarHBondContact O-N 2.72Å; E327-Q331 VanDerWaalsContact O-N 3.09Å |
| 328 | Q | 93.7 | Very high | 83.1 | Confident | 125 Ų | 125 | 32.8 Ų | 32.8 | 58% | 0.584 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -69.2 | -46.7 | -176.5 | -66.2 | -176.4 | 10.6 | 0 | 0 | 110.1 | V56 D326 S330 Q331 E332 | V56-Q328 HydrophobicContact CB-CB 4.08Å; V56-Q328 HydrophobicContact CG1-CB 3.57Å; D326-Q328 WeakPolarHBondContact OD1-CA 3.49Å; D326-Q328 PolarHBondContact OD1-N 3.05Å; Q328-S330 VanDerWaalsContact C-N 3.29Å; Q328-S330 PolarHBondContact O-N 2.94Å; Q328-Q331 WeakPolarHBondContact O-CB 3.2Å; Q328-Q331 PolarHBondContact O-N 2.86Å; Q328-E332 PolarHBondContact O-N 3.16Å |
| 329 | L | 92.9 | Very high | 83.1 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 176.1 | -170.7 | 71.3 | 0 | 0 | 0 | 110.8 | W34 V36 A51 V56 V304 L324 D326 Q331 E332 W333 | W34-L329 HydrophobicContact CH2-CD1 4.15Å; W34-L329 HydrophobicContact CH2-CD2 4.29Å; W34-L329 HydrophobicContact CZ3-CD1 4.18Å; W34-L329 HydrophobicContact CZ3-CD2 4.26Å; V36-L329 HydrophobicContact CG2-CD2 4.14Å; A51-L329 HydrophobicContact CB-CD1 3.7Å; V56-L329 HydrophobicContact CG1-CB 3.75Å; V56-L329 HydrophobicContact CG1-CD1 4.36Å; V56-L329 VanDerWaalsContact CG1-N 3.29Å; V304-L329 HydrophobicContact CB-CD2 4.24Å; V304-L329 HydrophobicContact CG2-CB 4.38Å; V304-L329 HydrophobicContact CG2-CD2 4.18Å; V304-L329 HydrophobicContact CG2-CG 4Å; L324-L329 HydrophobicContact CD2-CD2 3.73Å; D326-L329 HydrophobicContact CB-CB 3.83Å; D326-L329 PolarHBondContact OD1-N 3.18Å; L329-Q331 VanDerWaalsContact C-N 3.26Å; L329-Q331 PolarHBondContact O-N 3.36Å; L329-E332 WeakPolarHBondContact O-CB 3.49Å; L329-E332 PolarHBondContact O-N 3.18Å; L329-W333 HydrophobicContact CD1-CH2 3.9Å; L329-W333 HydrophobicContact CD1-CZ3 3.55Å; L329-W333 HydrophobicContact CG-CH2 4.33Å; L329-W333 HydrophobicContact CG-CZ3 3.92Å |
| 330 | S | 91.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -32.9 | 175.5 | 176.5 | 0 | 0 | 0 | 0 | 113.1 | D326 E327 Q328 W333 | D326-S330 VanDerWaalsContact O-CB 3.29Å; D326-S330 WeakPolarHBondContact O-CB 3.19Å; D326-S330 PolarHBondContact O-N 3.4Å; E327-S330 PolarHBondContact O-N 2.76Å; Q328-S330 VanDerWaalsContact C-N 3.29Å; Q328-S330 PolarHBondContact O-N 2.94Å; S330-W333 PolarHBondContact O-N 2.72Å |
| 331 | Q | 89.2 | Confident | 82.4 | Confident | 58 Ų | 58 | 35.6 Ų | 35.6 | 27% | 0.271 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -69.1 | -33.6 | 176.5 | -64.8 | -43.5 | -84.2 | 0 | 0 | 112.9 | K298 E327 Q328 L329 W333 L334 | K298-Q331 HydrophobicContact CD-CG 4.28Å; E327-Q331 WeakPolarHBondContact O-CG 3.19Å; E327-Q331 PolarHBondContact O-N 2.72Å; E327-Q331 VanDerWaalsContact O-N 3.09Å; Q328-Q331 WeakPolarHBondContact O-CB 3.2Å; Q328-Q331 PolarHBondContact O-N 2.86Å; L329-Q331 VanDerWaalsContact C-N 3.26Å; L329-Q331 PolarHBondContact O-N 3.36Å; Q331-W333 PolarHBondContact O-N 3.1Å; Q331-W333 VanDerWaalsContact O-N 3.1Å; Q331-L334 VanDerWaalsContact CD-CD1 3.45Å; Q331-L334 PolarHBondContact O-N 2.94Å; Q331-L334 VanDerWaalsContact OE1-CD1 3.26Å |
| 332 | E | 88.6 | Confident | 81 | Confident | 69 Ų | 69 | 42.8 Ų | 42.8 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.2 | -22.6 | 178.5 | -68.1 | -68.8 | 110.3 | 0 | 0 | 112.5 | W58 Q328 L329 | W58-E332 PolarHBondContact N-OE2 3.35Å; Q328-E332 PolarHBondContact O-N 3.16Å; L329-E332 WeakPolarHBondContact O-CB 3.49Å; L329-E332 PolarHBondContact O-N 3.18Å |
| 333 | W | 84.9 | Confident | 79.2 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -10.5 | 177.5 | -87.8 | -115.8 | 0 | 0 | 0 | 113.7 | V36 W58 L146 W292 I294 V304 L329 S330 Q331 A335 Q336 | V36-W333 HydrophobicContact CG1-CH2 3.93Å; V36-W333 HydrophobicContact CG1-CZ2 4.22Å; W58-W333 HydrophobicContact CD2-CZ3 4.47Å; W58-W333 AromaticContact CE2-CH2 3.72Å; W58-W333 AromaticContact CE2-CZ3 3.56Å; W58-W333 AromaticContact CH2-CH2 2.98Å; W58-W333 HydrophobicContact CH2-CH2 2.98Å; W58-W333 AromaticContact CH2-CZ2 3.26Å; W58-W333 HydrophobicContact CH2-CZ2 3.26Å; W58-W333 AromaticContact CH2-CZ3 3.75Å; W58-W333 HydrophobicContact CH2-CZ3 3.75Å; W58-W333 HydrophobicContact CZ2-CD2 4.01Å; W58-W333 AromaticContact CZ2-CE2 3.65Å; W58-W333 AromaticContact CZ2-CE3 3.78Å; W58-W333 HydrophobicContact CZ2-CE3 3.78Å; W58-W333 AromaticContact CZ2-CH2 2.89Å; W58-W333 HydrophobicContact CZ2-CH2 2.89Å; W58-W333 AromaticContact CZ2-CZ2 3.12Å; W58-W333 HydrophobicContact CZ2-CZ2 3.12Å; W58-W333 AromaticContact CZ2-CZ3 3.21Å; W58-W333 HydrophobicContact CZ2-CZ3 3.21Å; W58-W333 AromaticContact CZ3-CH2 3.92Å; W58-W333 HydrophobicContact CZ3-CH2 3.92Å; W58-W333 HydrophobicContact CZ3-CZ2 4.49Å; W58-W333 AromaticContact NE1-CZ3 3.9Å; L146-W333 HydrophobicContact CD2-CZ2 4.33Å; W292-W333 AromaticContact CD2-CD1 3.67Å; W292-W333 AromaticContact CD2-NE1 3.99Å; W292-W333 AromaticContact CE2-CD1 3.8Å; W292-W333 AromaticContact CE3-CD1 3.77Å; I294-W333 HydrophobicContact CD1-CB 3.79Å; I294-W333 WeakPolarHBondContact CD1-O 2.95Å; I294-W333 HydrophobicContact CG2-CB 3.76Å; I294-W333 HydrophobicContact CG2-CG 4.12Å; V304-W333 HydrophobicContact CG1-CZ2 4.43Å; L329-W333 HydrophobicContact CD1-CH2 3.9Å; L329-W333 HydrophobicContact CD1-CZ3 3.55Å; L329-W333 HydrophobicContact CG-CH2 4.33Å; L329-W333 HydrophobicContact CG-CZ3 3.92Å; S330-W333 PolarHBondContact O-N 2.72Å; Q331-W333 PolarHBondContact O-N 3.1Å; Q331-W333 VanDerWaalsContact O-N 3.1Å; W333-A335 PolarHBondContact O-N 2.93Å; W333-Q336 WeakPolarHBondContact O-CG 2.91Å |
| 334 | L | 77.2 | Confident | 76.7 | Confident | 41 Ų | 41 | 53.7 Ų | 53.7 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | trans | -73.7 | -12.7 | -171.2 | -86.5 | 174.3 | 0 | 0 | 0 | 114.5 | I245 I294 Q331 Q336 | I245-L334 HydrophobicContact CD1-CD2 3.63Å; I294-L334 HydrophobicContact CD1-CD2 3.73Å; I294-L334 HydrophobicContact CD1-CG 4.07Å; I294-L334 HydrophobicContact CG1-CD2 4.37Å; Q331-L334 VanDerWaalsContact CD-CD1 3.45Å; Q331-L334 PolarHBondContact O-N 2.94Å; Q331-L334 VanDerWaalsContact OE1-CD1 3.26Å; L334-Q336 PolarHBondContact O-N 2.77Å | ||
| 335 | A | 65.6 | Low | 74 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 69% | 0.694 | 29% | 0.29 | S | S | * | . | trans | -75.3 | 45.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | W333 | W333-A335 PolarHBondContact O-N 2.93Š| ||
| 336 | Q | 69.7 | Low | 71.4 | Confident | 20 Ų | 20 | 61.3 Ų | 61.3 | 9% | 0.093 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -119.4 | 149.8 | -174.1 | -50.2 | -60.9 | -15.3 | 0 | 0 | 112.6 | V270 I276 T277 W292 W333 L334 I338 | V270-Q336 HydrophobicContact CG2-CB 4.39Å; I276-Q336 HydrophobicContact CG2-CG 4.26Å; I276-Q336 VanDerWaalsContact CG2-OE1 3.3Å; T277-Q336 VanDerWaalsContact N-OE1 3.1Å; T277-Q336 PolarHBondContact O-NE2 2.99Å; W292-Q336 HydrophobicContact CH2-CG 4.05Å; W333-Q336 WeakPolarHBondContact O-CG 2.91Å; L334-Q336 PolarHBondContact O-N 2.77Å; Q336-I338 WeakPolarHBondContact O-CG1 3.43Å; Q336-I338 PolarHBondContact O-N 3.45Å |
| 337 | E | 65.5 | Low | 68.9 | Low | 98 Ų | 98 | 66.9 Ų | 66.9 | 46% | 0.458 | 35% | 0.351 | S | S | . | . | trans | -77.6 | 109.6 | 176.1 | -73.3 | -159 | -168.6 | 0 | 0 | 112.6 | V270 K271 | V270-E337 WeakPolarHBondContact CG1-O 3.37Å; K271-E337 HydrophobicContact CD-CB 4.35Å; K271-E337 PolarHBondContact N-O 3.15Å; K271-E337 VanDerWaalsContact N-O 3.16Å; K271-E337 IonicContact NZ-OE2 2.7Å; K271-E337 PolarHBondContact NZ-OE2 2.74Å | ||
| 338 | I | 62.5 | Low | 66 | Low | 42 Ų | 42 | 66.7 Ų | 66.7 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -101.4 | 142.3 | -172.5 | -55.4 | 145.5 | 0 | 0 | 0 | 111.6 | I245 E268 Q336 S340 | I245-I338 HydrophobicContact CD1-CD1 3.36Å; I245-I338 HydrophobicContact CD1-CG1 4.12Å; I245-I338 HydrophobicContact CG1-CD1 3.86Å; I245-I338 HydrophobicContact CG1-CG1 4.2Å; I245-I338 HydrophobicContact CG1-CG2 4.45Å; I245-I338 HydrophobicContact CG2-CD1 4.39Å; I245-I338 HydrophobicContact CG2-CG1 3.93Å; E268-I338 HydrophobicContact CB-CG2 3.63Å; Q336-I338 WeakPolarHBondContact O-CG1 3.43Å; Q336-I338 PolarHBondContact O-N 3.45Å; I338-S340 PolarHBondContact O-N 3.05Å |
| 339 | L | 61 | Low | 63.3 | Low | 30 Ų | 30 | 68.7 Ų | 68.7 | 16% | 0.157 | 38% | 0.376 | C | S | . | . | trans | -77.3 | 76.9 | 165.2 | -165.3 | 76.7 | 0 | 0 | 0 | 109.5 | N269 K271 C341 Y351 | N269-L339 WeakPolarHBondContact O-CB 3.37Å; N269-L339 PolarHBondContact O-N 3.09Å; N269-L339 VanDerWaalsContact O-N 3.13Å; K271-L339 HydrophobicContact CG-CB 4.14Å; K271-L339 HydrophobicContact CG-CD1 4.31Å; L339-C341 PolarHBondContact O-N 3.09Å; L339-Y351 HydrophobicContact CD1-CE1 4.13Å | ||
| 340 | S | 67.7 | Low | 60.3 | Low | 25 Ų | 25 | 72.2 Ų | 72.2 | 18% | 0.175 | 40% | 0.398 | C | S | . | . | trans | -57.4 | 134.3 | -175.7 | 175.9 | 0 | 0 | 0 | 0 | 112.3 | I338 L342 R343 | I338-S340 PolarHBondContact O-N 3.05Å; S340-L342 PolarHBondContact O-N 3.12Å; S340-L342 WeakPolarHBondContact OG-CB 3.48Å; S340-L342 PolarHBondContact OG-N 2.81Å; S340-R343 PolarHBondContact O-N 3.38Å | ||
| 341 | C | 68.4 | Low | 57.5 | Low | 9 Ų | 9 | 80.1 Ų | 80.1 | 6% | 0.061 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -60.4 | -16.2 | 173.1 | -75.2 | 0 | 0 | 0 | 0 | 113.3 | C261 K266 E268 L339 R343 Y344 | C261-C341 WeakPolarHBondContact CA-SG 3.11Å; C261-C341 HydrophobicContact CB-CB 3.62Å; C261-C341 WeakPolarHBondContact CB-SG 3.47Å; C261-C341 WeakPolarHBondContact SG-CA 3.14Å; C261-C341 WeakPolarHBondContact SG-CB 3.09Å; C261-C341 CovalentContact SG-SG 2.03Å; C261-C341 PolarHBondContact SG-SG 3.43Å; K266-C341 HydrophobicContact CD-CB 4.08Å; E268-C341 HydrophobicContact CG-CB 4.29Å; E268-C341 WeakPolarHBondContact CG-SG 2.99Å; E268-C341 VanDerWaalsContact OE1-CB 3.26Å; E268-C341 WeakPolarHBondContact OE1-CB 3.34Å; E268-C341 PolarHBondContact OE1-N 3.47Å; L339-C341 PolarHBondContact O-N 3.09Å; C341-R343 PolarHBondContact O-N 2.93Å; C341-Y344 PolarHBondContact O-N 2.9Å |
| 342 | L | 57.3 | Low | 54.6 | Low | 152 Ų | 152 | 85.5 Ų | 85.5 | 80% | 0.796 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -65.3 | -15.7 | 177.5 | -67.7 | 167 | 0 | 0 | 0 | 113.1 | S340 | S340-L342 PolarHBondContact O-N 3.12Å; S340-L342 WeakPolarHBondContact OG-CB 3.48Å; S340-L342 PolarHBondContact OG-N 2.81Å |
| 343 | R | 52 | Low | 51.7 | Low | 86 Ų | 86 | 91 Ų | 91 | 33% | 0.325 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -89.4 | -9.9 | 179.6 | -66.8 | 178.6 | -169 | -102.2 | 13 | 114.7 | S340 C341 S345 Y352 | S340-R343 PolarHBondContact O-N 3.38Å; C341-R343 PolarHBondContact O-N 2.93Å; R343-S345 VanDerWaalsContact C-N 3.26Å; R343-S345 PolarHBondContact O-N 2.98Å; R343-Y352 PolarHBondContact NH1-O 2.83Å; R343-Y352 PolarHBondContact NH2-O 2.9Å |
| 344 | Y | 42.3 | Very low | 49.2 | Very low | 149 Ų | 149 | 97.4 Ų | 97.4 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | trans | -81.4 | 75.6 | 174.9 | -84.9 | -88 | 0 | 0 | 0 | 110 | C341 | C341-Y344 PolarHBondContact O-N 2.9Š| ||
| 345 | S | 38.6 | Very low | 46.9 | Very low | 68 Ų | 68 | 100.8 Ų | 100.8 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | trans | -71.4 | 139.1 | 155.9 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | R343 I347 | R343-S345 VanDerWaalsContact C-N 3.26Å; R343-S345 PolarHBondContact O-N 2.98Å; S345-I347 PolarHBondContact O-N 2.98Å; S345-I347 PolarHBondContact OG-N 3.08Å | ||
| 346 | P | 42.3 | Very low | 45.3 | Very low | 137 Ų | 137 | 104.6 Ų | 104.6 | 89% | 0.89 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -61 | -6.4 | 173.8 | -20.7 | 32 | 0 | 0 | 0 | 114 | ||
| 347 | I | 42 | Very low | 43.4 | Very low | 145 Ų | 145 | 110.3 Ų | 110.3 | 74% | 0.744 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -106.7 | 86.8 | -179.1 | -50.1 | 171 | 0 | 0 | 0 | 108.7 | S345 | S345-I347 PolarHBondContact O-N 2.98Å; S345-I347 PolarHBondContact OG-N 3.08Å |
| 348 | G | 34.1 | Very low | 41.6 | Very low | 56 Ų | 56 | 117.1 Ų | 117.1 | 58% | 0.577 | 59% | 0.593 | S | S | * | * | trans | 71.8 | 131.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | V350 | G348-V350 PolarHBondContact O-N 3.2Å; G348-V350 VanDerWaalsContact O-N 3.11Å | ||
| 349 | M | 35.2 | Very low | 40.3 | Very low | 167 Ų | 167 | 123.4 Ų | 123.4 | 82% | 0.823 | 65% | 0.652 | S | S | * | * | trans | -56.5 | 111.3 | 172.9 | -67 | 175.7 | -74.1 | 0 | 0 | 110.9 | Y351 | M349-Y351 HydrophobicContact CB-CE2 4.48Š| ||
| 350 | V | 30.9 | Very low | 39.3 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 47% | 0.467 | 68% | 0.676 | S | S | . | * | trans | -128.9 | 101.6 | 164.8 | -163.8 | 0 | 0 | 0 | 0 | 109.5 | G348 Y352 | G348-V350 PolarHBondContact O-N 3.2Å; G348-V350 VanDerWaalsContact O-N 3.11Å; V350-Y352 HydrophobicContact CB-CD2 4.26Å; V350-Y352 HydrophobicContact CB-CE2 3.88Å; V350-Y352 HydrophobicContact CG1-CD2 3.66Å; V350-Y352 HydrophobicContact CG1-CE1 4.27Å; V350-Y352 HydrophobicContact CG1-CE2 3.17Å; V350-Y352 HydrophobicContact CG1-CG 4.38Å; V350-Y352 PolarHBondContact O-N 3.22Å | ||
| 351 | Y | 31.8 | Very low | 37.8 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 65% | 0.651 | 70% | 0.703 | S | S | * | * | trans | -73.3 | 116.7 | 167.9 | -63.5 | -92.2 | 0 | 0 | 0 | 107.8 | L339 M349 | L339-Y351 HydrophobicContact CD1-CE1 4.13Å; M349-Y351 HydrophobicContact CB-CE2 4.48Å | ||
| 352 | Y | 29 | Very low | 36.1 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 67% | 0.667 | 74% | 0.738 | S | S | * | * | trans | -110.1 | 116.7 | 168.1 | -75.7 | -78.4 | 0 | 0 | 0 | 109 | R343 V350 L354 | R343-Y352 PolarHBondContact NH1-O 2.83Å; R343-Y352 PolarHBondContact NH2-O 2.9Å; V350-Y352 HydrophobicContact CB-CD2 4.26Å; V350-Y352 HydrophobicContact CB-CE2 3.88Å; V350-Y352 HydrophobicContact CG1-CD2 3.66Å; V350-Y352 HydrophobicContact CG1-CE1 4.27Å; V350-Y352 HydrophobicContact CG1-CE2 3.17Å; V350-Y352 HydrophobicContact CG1-CG 4.38Å; V350-Y352 PolarHBondContact O-N 3.22Å; Y352-L354 PolarHBondContact O-N 3.24Å | ||
| 353 | E | 27.4 | Very low | 34.9 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 134.7 | 168.7 | -72.1 | 175.4 | 158.5 | 0 | 0 | 109.8 | ||
| 354 | L | 32.2 | Very low | 33.8 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 134.8 | 166 | -84.9 | 164.8 | 0 | 0 | 0 | 107.4 | Y352 Q356 | Y352-L354 PolarHBondContact O-N 3.24Å; L354-Q356 PolarHBondContact O-N 3.24Å |
| 355 | P | 30 | Very low | 33.2 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 131.8 | 173.8 | -13.4 | 26.4 | 0 | 0 | 0 | 109.3 | T357 | P355-T357 PolarHBondContact O-N 3.43Š|
| 356 | Q | 31 | Very low | 32.8 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -55.7 | 109.8 | 170.7 | -67.3 | -158.5 | -21.2 | 0 | 0 | 109.4 | L354 R358 | L354-Q356 PolarHBondContact O-N 3.24Å; Q356-R358 VanDerWaalsContact C-N 3.32Å; Q356-R358 PolarHBondContact O-N 3.35Å | ||
| 357 | T | 31.3 | Very low | 32.1 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -71.4 | 94.1 | 166.4 | 44.2 | 0 | 0 | 0 | 0 | 107.5 | P355 A359 | P355-T357 PolarHBondContact O-N 3.43Å; T357-A359 PolarHBondContact O-N 3.23Å | ||
| 358 | R | 27.7 | Very low | 31.3 | Very low | 241 Ų | 241 | 149.3 Ų | 149.3 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -63.4 | 115.9 | 158.5 | -76.3 | -178.8 | 176.9 | -178.6 | -1.7 | 107.9 | Q356 | Q356-R358 VanDerWaalsContact C-N 3.32Å; Q356-R358 PolarHBondContact O-N 3.35Å | ||
| 359 | A | 34.9 | Very low | 31 | Very low | 174 Ų | 174 | 157.7 Ų | 157.7 | 100% | 1.438 | 81% | 0.809 | S | S | * | * | trans | -146.3 | 0 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | T357 | T357-A359 PolarHBondContact O-N 3.23Š|
Retrieved 359 of 359 residues in 400 ms
(Link to these results)