| 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 | G | 61 | Low | 73.5 | Confident | 44 Ų | 44 | 103.7 Ų | 103.7 | 45% | 0.454 | 61% | 0.61 | S | S | . | * | 0 | 113.2 | 0 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y24 C29 | G1-Y24 VanDerWaalsContact CA-CD1 3.43Å; G1-Y24 VanDerWaalsContact CA-CE1 3.46Å; G1-Y24 WeakPolarHBondContact O-CB 3.39Å; G1-C29 PolarHBondContact N-O 3.4Å; G1-C29 WeakPolarHBondContact O-CB 3.27Å | |||
| 2 | G | 77.9 | Confident | 72.7 | Confident | 42 Ų | 42 | 97.8 Ų | 97.8 | 43% | 0.433 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 167.7 | 165.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S19 | G2-S19 WeakPolarHBondContact CA-O 3.09Å |
| 3 | V | 82.9 | Confident | 71.8 | Confident | 103 Ų | 103 | 95.8 Ų | 95.8 | 62% | 0.624 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.7 | 114.7 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 108 | T5 C18 S19 | V3-T5 HydrophobicContact CG1-CG2 4.38Å; V3-C18 CarbonylContact O-C 3.4Å; V3-C18 WeakPolarHBondContact O-CA 3.12Å; V3-S19 PolarHBondContact N-O 3.09Å; V3-S19 PolarHBondContact O-N 3.08Å |
| 4 | C | 81.5 | Confident | 71.3 | Confident | 53 Ų | 53 | 103.9 Ų | 103.9 | 36% | 0.358 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.2 | 122.3 | 175.6 | -69.8 | 0 | 0 | 0 | 0 | 110.2 | I16 R17 C18 | C4-I16 HydrophobicContact CB-CD1 4.12Å; C4-I16 HydrophobicContact CB-CG1 4.28Å; C4-R17 WeakPolarHBondContact CA-O 3.02Å; C4-C18 VanDerWaalsContact CA-SG 3.59Å; C4-C18 HydrophobicContact CB-CB 4.07Å; C4-C18 WeakPolarHBondContact CB-SG 3.34Å; C4-C18 WeakPolarHBondContact SG-CB 3.13Å; C4-C18 CovalentContact SG-SG 2.03Å; C4-C18 PolarHBondContact SG-SG 3.29Å |
| 5 | T | 82.4 | Confident | 71.4 | Confident | 83 Ų | 83 | 99.9 Ų | 99.9 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.8 | 138.7 | 173.9 | 55.3 | 0 | 0 | 0 | 0 | 109.8 | V3 R17 | V3-T5 HydrophobicContact CG1-CG2 4.38Å; T5-R17 PolarHBondContact N-O 2.03Å; T5-R17 PolarHBondContact O-N 2.86Å; T5-R17 VanDerWaalsContact O-O 3.13Å; T5-R17 PolarHBondContact OG1-O 3.43Å |
| 6 | R | 75.4 | Confident | 71.8 | Confident | 201 Ų | 201 | 97.4 Ų | 97.4 | 76% | 0.758 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 125.4 | 170.3 | -52.8 | -173 | -160.3 | 116 | 0.6 | 107 | L8 | R6-L8 HydrophobicContact CB-CD2 4.3Å; R6-L8 PolarHBondContact O-N 3.4Å |
| 7 | D | 72.3 | Confident | 72.3 | Confident | 56 Ų | 56 | 102.8 Ų | 102.8 | 30% | 0.299 | 59% | 0.587 | S | S | . | * | trans | -75 | 109.1 | 170 | -162.1 | -89.2 | 0 | 0 | 0 | 107.3 | R9 S12 A15 | D7-R9 VanDerWaalsContact C-N 3.3Å; D7-R9 WeakPolarHBondContact OD1-CB 3.41Å; D7-R9 PolarHBondContact OD1-N 3.29Å; D7-S12 VanDerWaalsContact OD1-CB 3.31Å; D7-S12 WeakPolarHBondContact OD1-CB 3.22Å; D7-S12 PolarHBondContact OD1-OG 2.98Å; D7-A15 HydrophobicContact CB-CB 4.14Å; D7-A15 WeakPolarHBondContact CB-O 3.27Å; D7-A15 PolarHBondContact N-O 2.83Å | ||
| 8 | L | 68.1 | Low | 72.7 | Confident | 154 Ų | 154 | 98.7 Ų | 98.7 | 81% | 0.806 | 57% | 0.565 | S | S | * | * | trans | -92.4 | 16.9 | -177.9 | -62.8 | 176.9 | 0 | 0 | 0 | 112.2 | R6 | R6-L8 HydrophobicContact CB-CD2 4.3Å; R6-L8 PolarHBondContact O-N 3.4Å | ||
| 9 | R | 72.2 | Confident | 73.2 | Confident | 182 Ų | 182 | 97.9 Ų | 97.9 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | trans | -70.3 | 144.7 | -178.1 | -66.7 | -138.7 | -175.8 | 105.1 | -6.1 | 111.3 | D7 G11 S12 | D7-R9 VanDerWaalsContact C-N 3.3Å; D7-R9 WeakPolarHBondContact OD1-CB 3.41Å; D7-R9 PolarHBondContact OD1-N 3.29Å; R9-G11 PolarHBondContact O-N 3.07Å; R9-G11 VanDerWaalsContact O-N 3.15Å; R9-S12 WeakPolarHBondContact CB-OG 3.5Å; R9-S12 PolarHBondContact N-OG 2.89Å; R9-S12 PolarHBondContact O-N 3.47Å; R9-S12 PolarHBondContact O-OG 2.65Å | ||
| 10 | P | 67.8 | Low | 73.3 | Confident | 137 Ų | 137 | 95.7 Ų | 95.7 | 89% | 0.89 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 120.7 | 169.5 | -15.2 | 27.3 | 0 | 0 | 0 | 109 | ||
| 11 | G | 67.4 | Low | 73.5 | Confident | 86 Ų | 86 | 93.7 Ų | 93.7 | 89% | 0.887 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.2 | -20.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | R9 G13 | R9-G11 PolarHBondContact O-N 3.07Å; R9-G11 VanDerWaalsContact O-N 3.15Å; G11-G13 VanDerWaalsContact C-N 3.34Å; G11-G13 PolarHBondContact O-N 2.68Å |
| 12 | S | 63.2 | Low | 73.9 | Confident | 32 Ų | 32 | 101.3 Ų | 101.3 | 22% | 0.224 | 57% | 0.571 | C | S | . | * | trans | -92.9 | 64.9 | 175.3 | 43.3 | 0 | 0 | 0 | 0 | 110.8 | D7 R9 K14 A15 | D7-S12 VanDerWaalsContact OD1-CB 3.31Å; D7-S12 WeakPolarHBondContact OD1-CB 3.22Å; D7-S12 PolarHBondContact OD1-OG 2.98Å; R9-S12 WeakPolarHBondContact CB-OG 3.5Å; R9-S12 PolarHBondContact N-OG 2.89Å; R9-S12 PolarHBondContact O-N 3.47Å; R9-S12 PolarHBondContact O-OG 2.65Å; S12-K14 PolarHBondContact O-N 3.11Å; S12-A15 PolarHBondContact O-N 3.31Å; S12-A15 VanDerWaalsContact O-N 3.14Å | ||
| 13 | G | 60.9 | Low | 73.3 | Confident | 73 Ų | 73 | 103.4 Ų | 103.4 | 75% | 0.753 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.4 | 108.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G11 A15 | G11-G13 VanDerWaalsContact C-N 3.34Å; G11-G13 PolarHBondContact O-N 2.68Å; G13-A15 PolarHBondContact O-N 2.8Å |
| 14 | K | 65.6 | Low | 72.8 | Confident | 209 Ų | 209 | 102.5 Ų | 102.5 | 91% | 0.909 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43.8 | 34.3 | 179.3 | -77 | -176.4 | 175.4 | -175.2 | 0 | 114.5 | S12 I16 | S12-K14 PolarHBondContact O-N 3.11Å; K14-I16 PolarHBondContact O-N 2.86Å |
| 15 | A | 72.8 | Confident | 72.2 | Confident | 44 Ų | 44 | 103.9 Ų | 103.9 | 36% | 0.364 | 56% | 0.556 | S | S | . | * | trans | -70.3 | 122.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | D7 S12 G13 | D7-A15 HydrophobicContact CB-CB 4.14Å; D7-A15 WeakPolarHBondContact CB-O 3.27Å; D7-A15 PolarHBondContact N-O 2.83Å; S12-A15 PolarHBondContact O-N 3.31Å; S12-A15 VanDerWaalsContact O-N 3.14Å; G13-A15 PolarHBondContact O-N 2.8Å | ||
| 16 | I | 77.7 | Confident | 71.5 | Confident | 60 Ų | 60 | 101.4 Ų | 101.4 | 31% | 0.308 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.1 | 176.2 | -172.7 | 163.2 | 0 | 0 | 0 | 108.3 | C4 K14 Y28 | C4-I16 HydrophobicContact CB-CD1 4.12Å; C4-I16 HydrophobicContact CB-CG1 4.28Å; K14-I16 PolarHBondContact O-N 2.86Å; I16-Y28 HydrophobicContact CD1-CD1 4.12Å; I16-Y28 HydrophobicContact CD1-CE1 4.11Å; I16-Y28 HydrophobicContact CG2-CD1 4.25Å; I16-Y28 HydrophobicContact CG2-CE1 3.55Å |
| 17 | R | 79.2 | Confident | 71.2 | Confident | 189 Ų | 189 | 98.7 Ų | 98.7 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.9 | 172.9 | -94.7 | 179 | 70.4 | 121.8 | -3.6 | 108.3 | C4 T5 | C4-R17 WeakPolarHBondContact CA-O 3.02Å; T5-R17 PolarHBondContact N-O 2.03Å; T5-R17 PolarHBondContact O-N 2.86Å; T5-R17 VanDerWaalsContact O-O 3.13Å; T5-R17 PolarHBondContact OG1-O 3.43Å |
| 18 | C | 80.6 | Confident | 71.2 | Confident | 29 Ų | 29 | 101.5 Ų | 101.5 | 20% | 0.196 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.3 | 175.6 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | V3 C4 K27 Y28 C29 | V3-C18 CarbonylContact O-C 3.4Å; V3-C18 WeakPolarHBondContact O-CA 3.12Å; C4-C18 VanDerWaalsContact CA-SG 3.59Å; C4-C18 HydrophobicContact CB-CB 4.07Å; C4-C18 WeakPolarHBondContact CB-SG 3.34Å; C4-C18 WeakPolarHBondContact SG-CB 3.13Å; C4-C18 CovalentContact SG-SG 2.03Å; C4-C18 PolarHBondContact SG-SG 3.29Å; C18-K27 PolarHBondContact SG-O 2.76Å; C18-Y28 VanDerWaalsContact SG-CA 3.58Å; C18-C29 WeakPolarHBondContact CB-SG 3.42Å |
| 19 | S | 81.7 | Confident | 71.5 | Confident | 84 Ų | 84 | 94.1 Ų | 94.1 | 59% | 0.587 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 107.2 | 171.5 | -68 | 0 | 0 | 0 | 0 | 108.2 | G2 V3 | G2-S19 WeakPolarHBondContact CA-O 3.09Å; V3-S19 PolarHBondContact N-O 3.09Å; V3-S19 PolarHBondContact O-N 3.08Å |
| 20 | C | 75.7 | Confident | 71.2 | Confident | 53 Ų | 53 | 90 Ų | 90 | 36% | 0.358 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 143.9 | -175.9 | -49.6 | 0 | 0 | 0 | 0 | 111.6 | Y24 C29 | C20-Y24 WeakPolarHBondContact CB-O 2.95Å; C20-C29 WeakPolarHBondContact CA-SG 3.46Å; C20-C29 HydrophobicContact CB-CB 3.62Å; C20-C29 WeakPolarHBondContact CB-SG 3.26Å; C20-C29 PolarHBondContact N-SG 3.29Å; C20-C29 WeakPolarHBondContact SG-CA 3.32Å; C20-C29 WeakPolarHBondContact SG-CB 3.23Å; C20-C29 CovalentContact SG-SG 2.03Å; C20-C29 PolarHBondContact SG-SG 2.73Å |
| 21 | A | 78.2 | Confident | 71 | Confident | 54 Ų | 54 | 84.4 Ų | 84.4 | 45% | 0.446 | 46% | 0.46 | S | S | . | . | trans | -68.7 | 161.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q23 Y24 | A21-Q23 PolarHBondContact O-N 3.29Å; A21-Y24 HydrophobicContact CB-CD2 4Å; A21-Y24 PolarHBondContact O-N 2.96Å | ||
| 22 | K | 68.7 | Low | 70.7 | Confident | 204 Ų | 204 | 82.6 Ų | 82.6 | 89% | 0.887 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -21.5 | -174.2 | -172.1 | 175.1 | 179.9 | 179.8 | 0 | 115.2 | ||
| 23 | Q | 64.9 | Low | 70.4 | Confident | 85 Ų | 85 | 86.1 Ų | 86.1 | 40% | 0.397 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 16.8 | 179.3 | -73 | -178 | -30.3 | 0 | 0 | 113.2 | A21 S32 K33 E35 | A21-Q23 PolarHBondContact O-N 3.29Å; Q23-S32 CarbonylContact O-C 3.23Å; Q23-S32 WeakPolarHBondContact O-CA 3.49Å; Q23-K33 PolarHBondContact O-N 3.11Å; Q23-E35 PolarHBondContact NE2-OE1 3.11Å |
| 24 | Y | 71.5 | Confident | 70 | Confident | 84 Ų | 84 | 84.8 Ų | 84.8 | 33% | 0.329 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.2 | 179.8 | -70.6 | -94.8 | 0 | 0 | 0 | 112.7 | G1 C20 A21 C29 L31 | G1-Y24 VanDerWaalsContact CA-CD1 3.43Å; G1-Y24 VanDerWaalsContact CA-CE1 3.46Å; G1-Y24 WeakPolarHBondContact O-CB 3.39Å; C20-Y24 WeakPolarHBondContact CB-O 2.95Å; A21-Y24 HydrophobicContact CB-CD2 4Å; A21-Y24 PolarHBondContact O-N 2.96Å; Y24-C29 WeakPolarHBondContact CD1-O 3.49Å; Y24-L31 CarbonylContact C-O 3.59Å; Y24-L31 WeakPolarHBondContact CA-O 3.33Å; Y24-L31 WeakPolarHBondContact CB-O 3.02Å; Y24-L31 VanDerWaalsContact CD1-O 3.28Å; Y24-L31 WeakPolarHBondContact CD1-O 3.42Å |
| 25 | F | 70.1 | Confident | 69.4 | Low | 82 Ų | 82 | 80.4 Ų | 80.4 | 36% | 0.36 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 173.1 | -169.7 | -55.7 | -84.5 | 0 | 0 | 0 | 111.9 | C29 Q30 L31 K33 | F25-C29 CarbonylContact O-C 3.6Å; F25-C29 VanDerWaalsContact O-C 3.23Å; F25-C29 WeakPolarHBondContact O-CA 2.96Å; F25-Q30 PolarHBondContact O-N 2.02Å; F25-L31 HydrophobicContact CB-CB 4.17Å; F25-L31 HydrophobicContact CB-CD1 4.33Å; F25-L31 PolarHBondContact N-O 3.45Å; F25-L31 VanDerWaalsContact O-CB 3.28Å; F25-L31 WeakPolarHBondContact O-CB 2.9Å; F25-L31 WeakPolarHBondContact O-CG 3.37Å; F25-L31 PolarHBondContact O-N 2.73Å; F25-K33 HydrophobicContact CD2-CB 4.2Å; F25-K33 HydrophobicContact CE2-CB 3.62Å; F25-K33 HydrophobicContact CE2-CD 4.45Å |
| 26 | G | 67.5 | Low | 68.4 | Low | 31 Ų | 31 | 82.5 Ų | 82.5 | 32% | 0.32 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 93.9 | 166.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y28 C29 | G26-Y28 PolarHBondContact O-N 3.39Å; G26-C29 PolarHBondContact O-N 2.97Å |
| 27 | K | 68.4 | Low | 67.2 | Low | 145 Ų | 145 | 83.2 Ų | 83.2 | 63% | 0.63 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -28.9 | -175.1 | -175.5 | 175.9 | -179.7 | -178.9 | 0 | 113.6 | C18 | C18-K27 PolarHBondContact SG-O 2.76Š|
| 28 | Y | 73.6 | Confident | 66.2 | Low | 114 Ų | 114 | 75.1 Ų | 75.1 | 45% | 0.447 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 22.7 | 176.9 | -39.3 | -90.9 | 0 | 0 | 0 | 113.5 | I16 C18 G26 Q30 | I16-Y28 HydrophobicContact CD1-CD1 4.12Å; I16-Y28 HydrophobicContact CD1-CE1 4.11Å; I16-Y28 HydrophobicContact CG2-CD1 4.25Å; I16-Y28 HydrophobicContact CG2-CE1 3.55Å; C18-Y28 VanDerWaalsContact SG-CA 3.58Å; G26-Y28 PolarHBondContact O-N 3.39Å; Y28-Q30 PolarHBondContact O-N 2.93Å |
| 29 | C | 74.3 | Confident | 65.6 | Low | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 40% | 0.403 | C | S | . | . | S | Bend | trans | 54 | 28.9 | -178.3 | -45.6 | 0 | 0 | 0 | 0 | 113.9 | G1 C18 C20 Y24 F25 G26 | G1-C29 PolarHBondContact N-O 3.4Å; G1-C29 WeakPolarHBondContact O-CB 3.27Å; C18-C29 WeakPolarHBondContact CB-SG 3.42Å; C20-C29 WeakPolarHBondContact CA-SG 3.46Å; C20-C29 HydrophobicContact CB-CB 3.62Å; C20-C29 WeakPolarHBondContact CB-SG 3.26Å; C20-C29 PolarHBondContact N-SG 3.29Å; C20-C29 WeakPolarHBondContact SG-CA 3.32Å; C20-C29 WeakPolarHBondContact SG-CB 3.23Å; C20-C29 CovalentContact SG-SG 2.03Å; C20-C29 PolarHBondContact SG-SG 2.73Å; Y24-C29 WeakPolarHBondContact CD1-O 3.49Å; F25-C29 CarbonylContact O-C 3.6Å; F25-C29 VanDerWaalsContact O-C 3.23Å; F25-C29 WeakPolarHBondContact O-CA 2.96Å; G26-C29 PolarHBondContact O-N 2.97Å |
| 30 | Q | 65.3 | Low | 65.3 | Low | 94 Ų | 94 | 73 Ų | 73 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | trans | -76.8 | -27.5 | -177.8 | 61.7 | -83.1 | 179.2 | 0 | 0 | 112 | F25 Y28 | F25-Q30 PolarHBondContact O-N 2.02Å; Y28-Q30 PolarHBondContact O-N 2.93Å | ||
| 31 | L | 63.8 | Low | 65.4 | Low | 21 Ų | 21 | 72.5 Ų | 72.5 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 132.6 | 179.1 | -48.7 | 174.2 | 0 | 0 | 0 | 107.5 | Y24 F25 Q41 | Y24-L31 CarbonylContact C-O 3.59Å; Y24-L31 WeakPolarHBondContact CA-O 3.33Å; Y24-L31 WeakPolarHBondContact CB-O 3.02Å; Y24-L31 VanDerWaalsContact CD1-O 3.28Å; Y24-L31 WeakPolarHBondContact CD1-O 3.42Å; F25-L31 HydrophobicContact CB-CB 4.17Å; F25-L31 HydrophobicContact CB-CD1 4.33Å; F25-L31 PolarHBondContact N-O 3.45Å; F25-L31 VanDerWaalsContact O-CB 3.28Å; F25-L31 WeakPolarHBondContact O-CB 2.9Å; F25-L31 WeakPolarHBondContact O-CG 3.37Å; F25-L31 PolarHBondContact O-N 2.73Å; L31-Q41 HydrophobicContact CD1-CG 3.86Å; L31-Q41 HydrophobicContact CD2-CG 3.68Å; L31-Q41 HydrophobicContact CG-CG 4.39Å |
| 32 | S | 60.4 | Low | 65.3 | Low | 47 Ų | 47 | 73.3 Ų | 73.3 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.9 | 163.6 | 48.3 | 0 | 0 | 0 | 0 | 108.9 | Q23 S34 | Q23-S32 CarbonylContact O-C 3.23Å; Q23-S32 WeakPolarHBondContact O-CA 3.49Å; S32-S34 PolarHBondContact O-N 3.15Å |
| 33 | K | 58.1 | Low | 65.5 | Low | 107 Ų | 107 | 66.8 Ų | 66.8 | 47% | 0.465 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 87.1 | 149.2 | -178.4 | 179.1 | -177.6 | -178.6 | 0 | 105.4 | Q23 F25 E35 | Q23-K33 PolarHBondContact O-N 3.11Å; F25-K33 HydrophobicContact CD2-CB 4.2Å; F25-K33 HydrophobicContact CE2-CB 3.62Å; F25-K33 HydrophobicContact CE2-CD 4.45Å; K33-E35 PolarHBondContact O-N 2.86Å |
| 34 | S | 52.3 | Low | 66.2 | Low | 45 Ų | 45 | 63.4 Ų | 63.4 | 32% | 0.315 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 135.9 | 153.5 | 172 | 0 | 0 | 0 | 0 | 105.8 | S32 T36 T37 | S32-S34 PolarHBondContact O-N 3.15Å; S34-T36 PolarHBondContact O-N 2.96Å; S34-T36 PolarHBondContact OG-N 3.44Å; S34-T36 PolarHBondContact OG-OG1 3.02Å; S34-T37 WeakPolarHBondContact CB-OG1 3.49Å; S34-T37 PolarHBondContact O-N 3.37Å |
| 35 | E | 53.1 | Low | 66.4 | Low | 116 Ų | 116 | 63.7 Ų | 63.7 | 54% | 0.542 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -14 | 172.1 | -74 | -69.6 | 111.2 | 0 | 0 | 112.1 | Q23 K33 | Q23-E35 PolarHBondContact NE2-OE1 3.11Å; K33-E35 PolarHBondContact O-N 2.86Å |
| 36 | T | 50.9 | Low | 66.7 | Low | 89 Ų | 89 | 62.6 Ų | 62.6 | 55% | 0.546 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -11.7 | 180 | 46.1 | 0 | 0 | 0 | 0 | 116.7 | S34 | S34-T36 PolarHBondContact O-N 2.96Å; S34-T36 PolarHBondContact OG-N 3.44Å; S34-T36 PolarHBondContact OG-OG1 3.02Å |
| 37 | T | 52.1 | Low | 67 | Low | 75 Ų | 75 | 67.2 Ų | 67.2 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 116.2 | -177.7 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | S34 A39 | S34-T37 WeakPolarHBondContact CB-OG1 3.49Å; S34-T37 PolarHBondContact O-N 3.37Å; T37-A39 PolarHBondContact O-N 3.17Å |
| 38 | P | 57.8 | Low | 66.9 | Low | 18 Ų | 18 | 62.9 Ų | 62.9 | 12% | 0.117 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 110.7 | 162.9 | 27.5 | -31.1 | 0 | 0 | 0 | 108.2 | C40 C46 S53 F65 | P38-C40 PolarHBondContact O-N 3.32Å; P38-C46 PolarHBondContact O-SG 3.4Å; P38-S53 WeakPolarHBondContact CD-OG 3.34Å; P38-S53 WeakPolarHBondContact CG-OG 3.28Å; P38-F65 HydrophobicContact CB-CD1 3.65Å; P38-F65 HydrophobicContact CB-CE1 3.22Å; P38-F65 HydrophobicContact CB-CZ 4.27Å |
| 39 | A | 68.1 | Low | 66.2 | Low | 45 Ų | 45 | 68.8 Ų | 68.8 | 37% | 0.372 | 39% | 0.394 | S | S | . | . | trans | -70.1 | 96.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | T37 | T37-A39 PolarHBondContact O-N 3.17Š| ||
| 40 | C | 75.8 | Confident | 65.5 | Low | 23 Ų | 23 | 69.9 Ų | 69.9 | 16% | 0.155 | 41% | 0.405 | C | S | . | . | trans | -59.4 | 138.3 | 174.4 | -49.3 | 0 | 0 | 0 | 0 | 110.3 | P38 G44 C46 C55 | P38-C40 PolarHBondContact O-N 3.32Å; C40-G44 WeakPolarHBondContact CB-O 3.44Å; C40-C46 PolarHBondContact SG-SG 2.96Å; C40-C55 WeakPolarHBondContact CA-SG 3.49Å; C40-C55 HydrophobicContact CB-CB 3.68Å; C40-C55 WeakPolarHBondContact CB-SG 3.33Å; C40-C55 WeakPolarHBondContact SG-CA 3.4Å; C40-C55 WeakPolarHBondContact SG-CB 2.84Å; C40-C55 CovalentContact SG-SG 2.02Å; C40-C55 PolarHBondContact SG-SG 2.68Å | ||
| 41 | Q | 77.3 | Confident | 65.3 | Low | 44 Ų | 44 | 74.8 Ų | 74.8 | 21% | 0.206 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -93.1 | 171.8 | 178.5 | -60.1 | -158 | -96.3 | 0 | 0 | 111.8 | L31 G43 G44 F65 C66 E67 | L31-Q41 HydrophobicContact CD1-CG 3.86Å; L31-Q41 HydrophobicContact CD2-CG 3.68Å; L31-Q41 HydrophobicContact CG-CG 4.39Å; Q41-G43 PolarHBondContact O-N 3.02Å; Q41-G43 VanDerWaalsContact O-N 3.11Å; Q41-G44 PolarHBondContact O-N 3.25Å; Q41-F65 WeakPolarHBondContact CA-O 3.17Å; Q41-F65 WeakPolarHBondContact CB-O 3.05Å; Q41-F65 PolarHBondContact N-O 3.13Å; Q41-C66 WeakPolarHBondContact O-CB 3.4Å; Q41-E67 HydrophobicContact CG-CB 4.45Å |
| 42 | N | 77.7 | Confident | 65.4 | Low | 71 Ų | 71 | 80.5 Ų | 80.5 | 38% | 0.38 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 34 | 171.2 | -61.1 | -47.9 | 0 | 0 | 0 | 114.4 | G44 P58 Y61 C66 | N42-G44 VanDerWaalsContact C-N 3.34Å; N42-P58 WeakPolarHBondContact O-CG 3.33Å; N42-Y61 HydrophobicContact CB-CD1 3.35Å; N42-Y61 HydrophobicContact CB-CD2 4.08Å; N42-Y61 HydrophobicContact CB-CE1 3.37Å; N42-Y61 HydrophobicContact CB-CE2 4.08Å; N42-Y61 HydrophobicContact CB-CG 3.71Å; N42-Y61 VanDerWaalsContact CG-CD1 3.41Å; N42-Y61 VanDerWaalsContact ND2-CD1 3.32Å; N42-Y61 WeakPolarHBondContact ND2-CD1 3.2Å; N42-Y61 WeakPolarHBondContact ND2-CE1 3.01Å; N42-C66 PolarHBondContact ND2-O 2.82Å |
| 43 | G | 72.6 | Confident | 65.8 | Low | 66 Ų | 66 | 79.2 Ų | 79.2 | 68% | 0.68 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 11.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q41 | Q41-G43 PolarHBondContact O-N 3.02Å; Q41-G43 VanDerWaalsContact O-N 3.11Å |
| 44 | G | 80 | Confident | 66.5 | Low | 15 Ų | 15 | 81.6 Ų | 81.6 | 16% | 0.155 | 46% | 0.457 | C | S | . | . | trans | -61.3 | 142.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C40 Q41 N42 I56 | C40-G44 WeakPolarHBondContact CB-O 3.44Å; Q41-G44 PolarHBondContact O-N 3.25Å; N42-G44 VanDerWaalsContact C-N 3.34Å; G44-I56 CarbonylContact C-O 3.47Å; G44-I56 WeakPolarHBondContact CA-O 3.05Å | ||
| 45 | T | 75.7 | Confident | 67.8 | Low | 90 Ų | 90 | 80.5 Ų | 80.5 | 55% | 0.552 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.7 | 178 | -60.8 | 0 | 0 | 0 | 0 | 110.2 | Q47 I56 | T45-Q47 PolarHBondContact O-N 2.71Å; T45-I56 PolarHBondContact N-O 3.02Å; T45-I56 PolarHBondContact O-N 2.82Å |
| 46 | C | 75.3 | Confident | 69.1 | Low | 59 Ų | 59 | 78.8 Ų | 78.8 | 40% | 0.399 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 114.3 | 174.9 | -57.4 | 0 | 0 | 0 | 0 | 109.6 | P38 C40 | P38-C46 PolarHBondContact O-SG 3.4Å; C40-C46 PolarHBondContact SG-SG 2.96Å |
| 47 | Q | 73.3 | Confident | 70.7 | Confident | 127 Ų | 127 | 76.4 Ų | 76.4 | 59% | 0.593 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123.8 | 171.9 | -168.8 | 177.7 | 65.2 | 0 | 0 | 110.4 | T45 S53 K54 I56 | T45-Q47 PolarHBondContact O-N 2.71Å; Q47-S53 CarbonylContact O-C 3.48Å; Q47-S53 WeakPolarHBondContact O-CA 3.21Å; Q47-K54 PolarHBondContact N-O 2.76Å; Q47-K54 PolarHBondContact O-N 2.95Å; Q47-I56 HydrophobicContact CB-CD1 3.8Å; Q47-I56 HydrophobicContact CB-CG1 4.01Å; Q47-I56 HydrophobicContact CG-CD1 4.28Å |
| 48 | G | 67 | Low | 72.2 | Confident | 54 Ų | 54 | 75.2 Ų | 75.2 | 56% | 0.557 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 98.7 | 177.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 49 | R | 59.5 | Low | 73.4 | Confident | 239 Ų | 239 | 83.6 Ų | 83.6 | 90% | 0.902 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -127.9 | 144.9 | -179.9 | -79.6 | -179.6 | 172.3 | 178.9 | -2.3 | 111.2 | ||
| 50 | G | 59.5 | Low | 74.1 | Confident | 23 Ų | 23 | 82.9 Ų | 82.9 | 24% | 0.237 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | 70.7 | -144.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N52 S53 | G50-N52 PolarHBondContact O-N 3.19Å; G50-N52 VanDerWaalsContact O-N 3.13Å; G50-S53 WeakPolarHBondContact O-CB 3.18Å; G50-S53 PolarHBondContact O-N 3.05Å; G50-S53 VanDerWaalsContact O-N 3.15Å; G50-S53 PolarHBondContact O-OG 2.96Å |
| 51 | K | 61.9 | Low | 74.6 | Confident | 196 Ų | 196 | 86 Ų | 86 | 85% | 0.852 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -61.2 | -23.9 | -171.3 | -63.2 | -176.1 | -172.5 | -171.3 | 0 | 114.7 | ||
| 52 | N | 66 | Low | 74.8 | Confident | 141 Ų | 141 | 87.4 Ų | 87.4 | 75% | 0.754 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -103.3 | 10.2 | -177.2 | -64.7 | -31.7 | 0 | 0 | 0 | 113.4 | G50 | G50-N52 PolarHBondContact O-N 3.19Å; G50-N52 VanDerWaalsContact O-N 3.13Å |
| 53 | S | 67.2 | Low | 74.9 | Confident | 21 Ų | 21 | 85.6 Ų | 85.6 | 15% | 0.147 | 47% | 0.473 | C | S | . | . | trans | -65.4 | 135.1 | 172.9 | 50.2 | 0 | 0 | 0 | 0 | 110.2 | P38 Q47 G50 | P38-S53 WeakPolarHBondContact CD-OG 3.34Å; P38-S53 WeakPolarHBondContact CG-OG 3.28Å; Q47-S53 CarbonylContact O-C 3.48Å; Q47-S53 WeakPolarHBondContact O-CA 3.21Å; G50-S53 WeakPolarHBondContact O-CB 3.18Å; G50-S53 PolarHBondContact O-N 3.05Å; G50-S53 VanDerWaalsContact O-N 3.15Å; G50-S53 PolarHBondContact O-OG 2.96Å | ||
| 54 | K | 73.8 | Confident | 75 | Confident | 157 Ų | 157 | 87 Ų | 87 | 68% | 0.683 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 150.8 | 179.8 | -65.6 | -176.8 | -177.9 | -176.7 | 0 | 109.3 | Q47 | Q47-K54 PolarHBondContact N-O 2.76Å; Q47-K54 PolarHBondContact O-N 2.95Å |
| 55 | C | 78.5 | Confident | 74.8 | Confident | 21 Ų | 21 | 88.5 Ų | 88.5 | 14% | 0.142 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 125.9 | 173 | -69.4 | 0 | 0 | 0 | 0 | 110.6 | C40 S64 | C40-C55 WeakPolarHBondContact CA-SG 3.49Å; C40-C55 HydrophobicContact CB-CB 3.68Å; C40-C55 WeakPolarHBondContact CB-SG 3.33Å; C40-C55 WeakPolarHBondContact SG-CA 3.4Å; C40-C55 WeakPolarHBondContact SG-CB 2.84Å; C40-C55 CovalentContact SG-SG 2.02Å; C40-C55 PolarHBondContact SG-SG 2.68Å; C55-S64 WeakPolarHBondContact CB-O 3.46Å; C55-S64 PolarHBondContact SG-O 2.03Å |
| 56 | I | 82.2 | Confident | 75.1 | Confident | 81 Ų | 81 | 84.2 Ų | 84.2 | 42% | 0.415 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 116 | 166.4 | -57.4 | 178.2 | 0 | 0 | 0 | 106.9 | G44 T45 Q47 | G44-I56 CarbonylContact C-O 3.47Å; G44-I56 WeakPolarHBondContact CA-O 3.05Å; T45-I56 PolarHBondContact N-O 3.02Å; T45-I56 PolarHBondContact O-N 2.82Å; Q47-I56 HydrophobicContact CB-CD1 3.8Å; Q47-I56 HydrophobicContact CB-CG1 4.01Å; Q47-I56 HydrophobicContact CG-CD1 4.28Å |
| 57 | C | 84 | Confident | 75.2 | Confident | 39 Ų | 39 | 84.7 Ų | 84.7 | 26% | 0.264 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 138.1 | -177.2 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | Y61 C66 | C57-Y61 VanDerWaalsContact CB-O 3.23Å; C57-Y61 WeakPolarHBondContact CB-O 3.28Å; C57-C66 WeakPolarHBondContact CA-SG 3.38Å; C57-C66 HydrophobicContact CB-CB 3.58Å; C57-C66 WeakPolarHBondContact CB-SG 3.49Å; C57-C66 PolarHBondContact N-SG 2.79Å; C57-C66 VanDerWaalsContact N-SG 3.43Å; C57-C66 WeakPolarHBondContact SG-CA 3.16Å; C57-C66 WeakPolarHBondContact SG-CB 3Å; C57-C66 CovalentContact SG-SG 2.03Å; C57-C66 PolarHBondContact SG-SG 2.97Å |
| 58 | P | 82.3 | Confident | 75.5 | Confident | 49 Ų | 49 | 84.6 Ų | 84.6 | 32% | 0.318 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 163.2 | 169.5 | 24.6 | -26.2 | 0 | 0 | 0 | 110.6 | N42 G60 Y61 | N42-P58 WeakPolarHBondContact O-CG 3.33Å; P58-G60 PolarHBondContact O-N 3.42Å; P58-Y61 HydrophobicContact CG-CD2 3.81Å; P58-Y61 HydrophobicContact CG-CE2 4.45Å; P58-Y61 PolarHBondContact O-N 3.24Å; P58-Y61 VanDerWaalsContact O-N 3.07Å |
| 59 | E | 83 | Confident | 76 | Confident | 194 Ų | 194 | 84.4 Ų | 84.4 | 91% | 0.907 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 139.7 | 179.1 | -70.4 | -163.4 | 100.8 | 0 | 0 | 111.7 | Y61 | E59-Y61 VanDerWaalsContact C-N 3.3Š|
| 60 | G | 83.5 | Confident | 76.5 | Confident | 30 Ų | 30 | 74.4 Ų | 74.4 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 11.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | P58 G69 N70 | P58-G60 PolarHBondContact O-N 3.42Å; G60-G69 CarbonylContact O-C 3.35Å; G60-G69 VanDerWaalsContact O-CA 3.27Å; G60-G69 WeakPolarHBondContact O-CA 3.46Å; G60-N70 WeakPolarHBondContact O-CA 3.07Å; G60-N70 PolarHBondContact O-N 2.92Å |
| 61 | Y | 85.8 | Confident | 76.6 | Confident | 90 Ų | 90 | 78.6 Ų | 78.6 | 35% | 0.353 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144.3 | 171.7 | -62.6 | -85 | 0 | 0 | 0 | 112.9 | N42 C57 P58 E59 K68 | N42-Y61 HydrophobicContact CB-CD1 3.35Å; N42-Y61 HydrophobicContact CB-CD2 4.08Å; N42-Y61 HydrophobicContact CB-CE1 3.37Å; N42-Y61 HydrophobicContact CB-CE2 4.08Å; N42-Y61 HydrophobicContact CB-CG 3.71Å; N42-Y61 VanDerWaalsContact CG-CD1 3.41Å; N42-Y61 VanDerWaalsContact ND2-CD1 3.32Å; N42-Y61 WeakPolarHBondContact ND2-CD1 3.2Å; N42-Y61 WeakPolarHBondContact ND2-CE1 3.01Å; C57-Y61 VanDerWaalsContact CB-O 3.23Å; C57-Y61 WeakPolarHBondContact CB-O 3.28Å; P58-Y61 HydrophobicContact CG-CD2 3.81Å; P58-Y61 HydrophobicContact CG-CE2 4.45Å; P58-Y61 PolarHBondContact O-N 3.24Å; P58-Y61 VanDerWaalsContact O-N 3.07Å; E59-Y61 VanDerWaalsContact C-N 3.3Å; Y61-K68 CarbonylContact C-O 3.38Å; Y61-K68 VanDerWaalsContact CA-O 3.26Å; Y61-K68 WeakPolarHBondContact CA-O 3.45Å |
| 62 | I | 83.1 | Confident | 76.4 | Confident | 72 Ų | 72 | 77.7 Ų | 77.7 | 37% | 0.369 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 168.2 | -178.6 | 56.9 | 171.2 | 0 | 0 | 0 | 110.8 | C66 E67 K68 N70 | I62-C66 CarbonylContact O-C 3.32Å; I62-C66 WeakPolarHBondContact O-CA 2.96Å; I62-E67 PolarHBondContact O-N 2.92Å; I62-K68 HydrophobicContact CG1-CB 3.94Å; I62-K68 PolarHBondContact N-O 3.14Å; I62-K68 WeakPolarHBondContact O-CB 3.34Å; I62-K68 PolarHBondContact O-N 3.21Å; I62-K68 VanDerWaalsContact O-O 3.13Å; I62-N70 HydrophobicContact CB-CB 4.42Å; I62-N70 HydrophobicContact CD1-CB 4.23Å; I62-N70 HydrophobicContact CG1-CB 4.02Å; I62-N70 HydrophobicContact CG2-CB 3.77Å |
| 63 | G | 79.8 | Confident | 75.9 | Confident | 33 Ų | 33 | 77 Ų | 77 | 34% | 0.34 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 111.3 | 163.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | F65 C66 E67 | G63-F65 PolarHBondContact O-N 3.31Å; G63-F65 VanDerWaalsContact O-N 3.11Å; G63-C66 PolarHBondContact O-N 2.73Å; G63-E67 WeakPolarHBondContact CA-OE2 3.38Å |
| 64 | S | 73.7 | Confident | 75.2 | Confident | 95 Ų | 95 | 81.3 Ų | 81.3 | 66% | 0.664 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.9 | -177.4 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | C55 E67 | C55-S64 WeakPolarHBondContact CB-O 3.46Å; C55-S64 PolarHBondContact SG-O 2.03Å; S64-E67 PolarHBondContact N-OE2 2.8Å |
| 65 | F | 75.8 | Confident | 74.3 | Confident | 48 Ų | 48 | 80.5 Ų | 80.5 | 21% | 0.211 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 20.8 | 175.9 | -55.9 | -92.9 | 0 | 0 | 0 | 111.2 | P38 Q41 G63 E67 | P38-F65 HydrophobicContact CB-CD1 3.65Å; P38-F65 HydrophobicContact CB-CE1 3.22Å; P38-F65 HydrophobicContact CB-CZ 4.27Å; Q41-F65 WeakPolarHBondContact CA-O 3.17Å; Q41-F65 WeakPolarHBondContact CB-O 3.05Å; Q41-F65 PolarHBondContact N-O 3.13Å; G63-F65 PolarHBondContact O-N 3.31Å; G63-F65 VanDerWaalsContact O-N 3.11Å; F65-E67 WeakPolarHBondContact CA-OE2 3.01Å; F65-E67 PolarHBondContact N-OE2 2.03Å; F65-E67 PolarHBondContact O-N 3.48Å; F65-E67 VanDerWaalsContact O-N 3.11Å |
| 66 | C | 82.9 | Confident | 73.1 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 48% | 0.484 | C | S | . | . | S | Bend | trans | 56.3 | 28 | -176.4 | -45.3 | 0 | 0 | 0 | 0 | 112.9 | Q41 N42 C57 I62 G63 K68 | Q41-C66 WeakPolarHBondContact O-CB 3.4Å; N42-C66 PolarHBondContact ND2-O 2.82Å; C57-C66 WeakPolarHBondContact CA-SG 3.38Å; C57-C66 HydrophobicContact CB-CB 3.58Å; C57-C66 WeakPolarHBondContact CB-SG 3.49Å; C57-C66 PolarHBondContact N-SG 2.79Å; C57-C66 VanDerWaalsContact N-SG 3.43Å; C57-C66 WeakPolarHBondContact SG-CA 3.16Å; C57-C66 WeakPolarHBondContact SG-CB 3Å; C57-C66 CovalentContact SG-SG 2.03Å; C57-C66 PolarHBondContact SG-SG 2.97Å; I62-C66 CarbonylContact O-C 3.32Å; I62-C66 WeakPolarHBondContact O-CA 2.96Å; G63-C66 PolarHBondContact O-N 2.73Å; C66-K68 VanDerWaalsContact C-N 3.31Å; C66-K68 PolarHBondContact O-N 2.96Å |
| 67 | E | 77.2 | Confident | 71.7 | Confident | 68 Ų | 68 | 87.9 Ų | 87.9 | 32% | 0.318 | 50% | 0.498 | S | S | . | . | trans | -78 | -16 | -170.2 | 73.1 | -71.6 | 172.4 | 0 | 0 | 113.7 | Q41 I62 G63 S64 F65 | Q41-E67 HydrophobicContact CG-CB 4.45Å; I62-E67 PolarHBondContact O-N 2.92Å; G63-E67 WeakPolarHBondContact CA-OE2 3.38Å; S64-E67 PolarHBondContact N-OE2 2.8Å; F65-E67 WeakPolarHBondContact CA-OE2 3.01Å; F65-E67 PolarHBondContact N-OE2 2.03Å; F65-E67 PolarHBondContact O-N 3.48Å; F65-E67 VanDerWaalsContact O-N 3.11Å | ||
| 68 | K | 79.6 | Confident | 70.3 | Confident | 126 Ų | 126 | 93.7 Ų | 93.7 | 55% | 0.548 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.2 | -177.5 | -57.7 | 178.1 | -173.6 | 175.4 | 0 | 109.6 | Y61 I62 C66 N70 | Y61-K68 CarbonylContact C-O 3.38Å; Y61-K68 VanDerWaalsContact CA-O 3.26Å; Y61-K68 WeakPolarHBondContact CA-O 3.45Å; I62-K68 HydrophobicContact CG1-CB 3.94Å; I62-K68 PolarHBondContact N-O 3.14Å; I62-K68 WeakPolarHBondContact O-CB 3.34Å; I62-K68 PolarHBondContact O-N 3.21Å; I62-K68 VanDerWaalsContact O-O 3.13Å; C66-K68 VanDerWaalsContact C-N 3.31Å; C66-K68 PolarHBondContact O-N 2.96Å; K68-N70 PolarHBondContact O-N 2.85Å |
| 69 | G | 76.9 | Confident | 68.9 | Low | 50 Ų | 50 | 96.1 Ų | 96.1 | 52% | 0.515 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 121.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110 | G60 S71 | G60-G69 CarbonylContact O-C 3.35Å; G60-G69 VanDerWaalsContact O-CA 3.27Å; G60-G69 WeakPolarHBondContact O-CA 3.46Å; G69-S71 PolarHBondContact O-N 3.41Å |
| 70 | N | 70.9 | Confident | 67.3 | Low | 28 Ų | 28 | 92.5 Ų | 92.5 | 15% | 0.15 | 53% | 0.53 | C | S | . | . | trans | -76.5 | 71.2 | 164.9 | -156 | 10.9 | 0 | 0 | 0 | 110.1 | G60 I62 K68 K72 Q73 | G60-N70 WeakPolarHBondContact O-CA 3.07Å; G60-N70 PolarHBondContact O-N 2.92Å; I62-N70 HydrophobicContact CB-CB 4.42Å; I62-N70 HydrophobicContact CD1-CB 4.23Å; I62-N70 HydrophobicContact CG1-CB 4.02Å; I62-N70 HydrophobicContact CG2-CB 3.77Å; K68-N70 PolarHBondContact O-N 2.85Å; N70-K72 PolarHBondContact O-N 2.57Å; N70-Q73 WeakPolarHBondContact ND2-CB 3.32Å; N70-Q73 VanDerWaalsContact ND2-CD 3.27Å; N70-Q73 WeakPolarHBondContact ND2-CG 3.31Å; N70-Q73 PolarHBondContact ND2-OE1 3.17Å; N70-Q73 PolarHBondContact O-N 2.94Å | ||
| 71 | S | 61.4 | Low | 65.6 | Low | 111 Ų | 111 | 98 Ų | 98 | 78% | 0.776 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 3.2 | 173.5 | -171.3 | 0 | 0 | 0 | 0 | 113.3 | G69 | G69-S71 PolarHBondContact O-N 3.41Š|
| 72 | K | 57.8 | Low | 64.6 | Low | 177 Ų | 177 | 100.7 Ų | 100.7 | 77% | 0.77 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 11.5 | -177.3 | -71.2 | -73.3 | -164.3 | -107 | 0 | 113.6 | N70 | N70-K72 PolarHBondContact O-N 2.57Š|
| 73 | Q | 54.5 | Low | 63.3 | Low | 128 Ų | 128 | 103.8 Ų | 103.8 | 60% | 0.598 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -113.4 | -2.7 | 175.5 | -99.4 | -166 | -60.1 | 0 | 0 | 116 | N70 D75 | N70-Q73 WeakPolarHBondContact ND2-CB 3.32Å; N70-Q73 VanDerWaalsContact ND2-CD 3.27Å; N70-Q73 WeakPolarHBondContact ND2-CG 3.31Å; N70-Q73 PolarHBondContact ND2-OE1 3.17Å; N70-Q73 PolarHBondContact O-N 2.94Å; Q73-D75 PolarHBondContact O-N 3.47Å |
| 74 | S | 52.3 | Low | 62.2 | Low | 111 Ų | 111 | 114 Ų | 114 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 8.5 | 171.4 | -179.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 75 | D | 55.4 | Low | 61.6 | Low | 140 Ų | 140 | 115 Ų | 115 | 75% | 0.749 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 14.3 | -174.9 | -164 | 63.1 | 0 | 0 | 0 | 113.4 | Q73 | Q73-D75 PolarHBondContact O-N 3.47Š|
| 76 | L | 53.7 | Low | 60.9 | Low | 157 Ų | 157 | 118.5 Ų | 118.5 | 82% | 0.822 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -128 | 9.7 | 179.3 | -73.2 | 171.1 | 0 | 0 | 0 | 114.7 | ||
| 77 | S | 53 | Low | 59.6 | Low | 99 Ų | 99 | 125.1 Ų | 125.1 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | trans | -108.6 | 23 | 169 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | P79 | S77-P79 WeakPolarHBondContact O-CD 3.45Š| ||
| 78 | E | 52.8 | Low | 58.6 | Low | 162 Ų | 162 | 128.5 Ų | 128.5 | 76% | 0.757 | 71% | 0.71 | S | S | * | * | trans | -83.1 | 105.3 | 159.7 | -160.9 | 165.4 | 100.7 | 0 | 0 | 107.3 | ||||
| 79 | P | 54.1 | Low | 57.3 | Low | 99 Ų | 99 | 128.6 Ų | 128.6 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | trans | -58 | 143.2 | 168.9 | 24.8 | -32.2 | 0 | 0 | 0 | 108.7 | S77 L81 | S77-P79 WeakPolarHBondContact O-CD 3.45Å; P79-L81 PolarHBondContact O-N 3.15Å | ||
| 80 | P | 49.1 | Very low | 56 | Low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -55.7 | 132.3 | -178.5 | 21.8 | -31.5 | 0 | 0 | 0 | 110.3 | I82 | P80-I82 PolarHBondContact O-N 2.83Å; P80-I82 VanDerWaalsContact O-N 3.09Å | ||
| 81 | L | 48.8 | Very low | 54.9 | Low | 145 Ų | 145 | 141.4 Ų | 141.4 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -51 | 113.7 | 171.6 | -72.7 | 157.1 | 0 | 0 | 0 | 109.4 | P79 V83 | P79-L81 PolarHBondContact O-N 3.15Å; L81-V83 PolarHBondContact O-N 2.97Å; L81-V83 VanDerWaalsContact O-N 3.08Å | ||
| 82 | I | 63.7 | Low | 54.4 | Low | 147 Ų | 147 | 143.8 Ų | 143.8 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -75.3 | 97.9 | 169.2 | -56.1 | 167.8 | 0 | 0 | 0 | 106.1 | P80 Q84 | P80-I82 PolarHBondContact O-N 2.83Å; P80-I82 VanDerWaalsContact O-N 3.09Å; I82-Q84 HydrophobicContact CG2-CG 3.94Å; I82-Q84 PolarHBondContact O-N 3.27Å | ||
| 83 | V | 55.1 | Low | 54.1 | Low | 137 Ų | 137 | 141 Ų | 141 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | -76 | 105.4 | 165 | -82.8 | 0 | 0 | 0 | 0 | 108.2 | L81 | L81-V83 PolarHBondContact O-N 2.97Å; L81-V83 VanDerWaalsContact O-N 3.08Å | ||
| 84 | Q | 57.2 | Low | 54.1 | Low | 248 Ų | 248 | 142.2 Ų | 142.2 | 100% | 1.159 | 79% | 0.792 | S | S | * | * | trans | -135 | 0 | 163.3 | -70.6 | -166.7 | -81.2 | 0 | 0 | 109.8 | I82 | I82-Q84 HydrophobicContact CG2-CG 3.94Å; I82-Q84 PolarHBondContact O-N 3.27Å |
Retrieved 84 of 84 residues in 29.1 ms
(Link to these results)