| 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 | L | 45.6 | Very low | 80.7 | Confident | 218 Ų | 218 | 110.8 Ų | 110.8 | 100% | 1.141 | 59% | 0.59 | S | S | * | * | 0 | 120.6 | 0 | -67.8 | 166.6 | 0 | 0 | 0 | 107.4 | |||||
| 2 | P | 56.5 | Low | 81.7 | Confident | 111 Ų | 111 | 107.1 Ų | 107.1 | 72% | 0.721 | 59% | 0.587 | S | S | * | * | trans | -57.3 | 145.5 | 169.1 | 26 | -31.2 | 0 | 0 | 0 | 108.8 | T4 | P2-T4 PolarHBondContact O-N 2.8Š| ||
| 3 | T | 62.7 | Low | 82.6 | Confident | 92 Ų | 92 | 105.2 Ų | 105.2 | 56% | 0.564 | 57% | 0.569 | S | S | * | * | trans | -59 | 111.2 | 174.1 | 24.9 | 0 | 0 | 0 | 0 | 109.4 | T5 Y6 | T3-T5 VanDerWaalsContact C-N 3.26Å; T3-Y6 VanDerWaalsContact O-CE2 3.27Å; T3-Y6 WeakPolarHBondContact O-CE2 3.42Å; T3-Y6 PolarHBondContact O-OH 3.43Å | ||
| 4 | T | 77.9 | Confident | 83.2 | Confident | 87 Ų | 87 | 103.3 Ų | 103.3 | 53% | 0.534 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -82.9 | -6.9 | 175.5 | 55 | 0 | 0 | 0 | 0 | 112.1 | P2 T31 I32 | P2-T4 PolarHBondContact O-N 2.8Å; T4-T31 CarbonylContact O-C 3.48Å; T4-T31 WeakPolarHBondContact O-CA 3.34Å; T4-I32 PolarHBondContact O-N 3.22Å |
| 5 | T | 87.2 | Confident | 83.7 | Confident | 61 Ų | 61 | 105.7 Ų | 105.7 | 37% | 0.374 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.3 | 179.8 | -53.9 | 0 | 0 | 0 | 0 | 110.4 | T3 T29 I30 T31 | T3-T5 VanDerWaalsContact C-N 3.26Å; T5-T29 HydrophobicContact CG2-CG2 3.4Å; T5-T29 VanDerWaalsContact CG2-CG2 3.4Å; T5-I30 CarbonylContact C-O 3.5Å; T5-I30 WeakPolarHBondContact CA-O 3.4Å; T5-T31 HydrophobicContact CG2-CG2 4.28Å |
| 6 | Y | 90.4 | Very high | 84 | Confident | 109 Ų | 109 | 106.3 Ų | 106.3 | 43% | 0.427 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.9 | 131.7 | 173.8 | -63.6 | -97 | 0 | 0 | 0 | 108.8 | T3 T29 I30 I32 | T3-Y6 VanDerWaalsContact O-CE2 3.27Å; T3-Y6 WeakPolarHBondContact O-CE2 3.42Å; T3-Y6 PolarHBondContact O-OH 3.43Å; Y6-T29 CarbonylContact O-C 3.54Å; Y6-T29 WeakPolarHBondContact O-CA 3.35Å; Y6-I30 PolarHBondContact N-O 2.87Å; Y6-I30 PolarHBondContact O-N 2.94Å; Y6-I32 HydrophobicContact CD2-CD1 4.27Å; Y6-I32 HydrophobicContact CD2-CG1 4.42Å; Y6-I32 HydrophobicContact CE2-CD1 3.54Å; Y6-I32 HydrophobicContact CE2-CG1 4.14Å |
| 7 | E | 91.8 | Very high | 84.1 | Confident | 148 Ų | 148 | 102.7 Ų | 102.7 | 69% | 0.692 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 120.7 | 172.9 | -67.4 | -173.6 | 168.8 | 0 | 0 | 109.1 | T27 T29 | E7-T27 HydrophobicContact CB-CG2 4.36Å; E7-T29 HydrophobicContact CG-CG2 4.38Å |
| 8 | L | 92.9 | Very high | 84.2 | Confident | 83 Ų | 83 | 99.8 Ų | 99.8 | 44% | 0.435 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113 | 129.6 | 177.7 | -61.4 | 179.1 | 0 | 0 | 0 | 109.4 | I10 T27 A28 I30 | L8-I10 HydrophobicContact CB-CD1 4.04Å; L8-T27 CarbonylContact O-C 3.6Å; L8-T27 WeakPolarHBondContact O-CA 3.43Å; L8-A28 PolarHBondContact N-O 2.95Å; L8-A28 PolarHBondContact O-N 3.35Å; L8-I30 HydrophobicContact CD1-CD1 3.54Å; L8-I30 HydrophobicContact CG-CD1 4.32Å |
| 9 | E | 94.4 | Very high | 84.2 | Confident | 136 Ų | 136 | 104.3 Ų | 104.3 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83 | 118 | 166.8 | -172.7 | 176.8 | -165.5 | 0 | 0 | 109.2 | ||
| 10 | I | 94.6 | Very high | 84.3 | Confident | 89 Ų | 89 | 105.5 Ų | 105.5 | 46% | 0.456 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 122.7 | 178.7 | -51.4 | -56.7 | 0 | 0 | 0 | 108.4 | L8 T25 A26 A28 | L8-I10 HydrophobicContact CB-CD1 4.04Å; I10-T25 CarbonylContact O-C 3.53Å; I10-T25 VanDerWaalsContact O-CA 3.27Å; I10-T25 WeakPolarHBondContact O-CA 3.33Å; I10-A26 PolarHBondContact N-O 3.24Å; I10-A26 PolarHBondContact O-N 3.46Å; I10-A28 HydrophobicContact CD1-CB 4.34Å; I10-A28 HydrophobicContact CG1-CB 3.82Å |
| 11 | V | 93.3 | Very high | 84.4 | Confident | 85 Ų | 85 | 100.9 Ų | 100.9 | 52% | 0.515 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.4 | 177.1 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | T23 G24 T25 | V11-T23 HydrophobicContact CG1-CG2 4.1Å; V11-G24 WeakPolarHBondContact CA-O 3.38Å; V11-T25 HydrophobicContact CB-CG2 4.49Å; V11-T25 HydrophobicContact CG1-CG2 4.29Å; V11-T25 HydrophobicContact CG2-CG2 3.92Å |
| 12 | A | 92.9 | Very high | 86.6 | Confident | 66 Ų | 66 | 97 Ų | 97 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 132.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | T23 G24 | A12-T23 CarbonylContact O-C 3.55Å; A12-T23 VanDerWaalsContact O-CA 3.25Å; A12-T23 WeakPolarHBondContact O-CA 3.44Å; A12-G24 PolarHBondContact N-O 3.41Å; A12-G24 PolarHBondContact O-N 3.48Å |
| 13 | K | 93.7 | Very high | 88.2 | Confident | 83 Ų | 83 | 96.1 Ų | 96.1 | 36% | 0.361 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.1 | 178.9 | -164.1 | 171.6 | -164.2 | -170.1 | 0 | 110.8 | S18 E19 G21 L22 T23 | K13-S18 WeakPolarHBondContact CE-O 3.44Å; K13-S18 PolarHBondContact NZ-O 3.17Å; K13-E19 PolarHBondContact NZ-O 2.92Å; K13-G21 WeakPolarHBondContact CE-O 3.4Å; K13-L22 WeakPolarHBondContact CA-O 3.26Å; K13-T23 HydrophobicContact CB-CG2 4.01Å; K13-T23 HydrophobicContact CD-CG2 3.8Å; K13-T23 HydrophobicContact CG-CG2 3.69Å |
| 14 | D | 90.6 | Very high | 89.7 | Confident | 78 Ų | 78 | 93.7 Ų | 93.7 | 42% | 0.417 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -75.1 | -177.8 | 178 | 71.8 | 12.6 | 0 | 0 | 0 | 112.7 | A16 G17 G21 L22 | D14-A16 VanDerWaalsContact C-N 3.3Å; D14-A16 PolarHBondContact O-N 2.82Å; D14-G17 PolarHBondContact O-N 2.78Å; D14-G21 VanDerWaalsContact OD1-C 3.28Å; D14-G21 WeakPolarHBondContact OD1-CA 3.49Å; D14-L22 PolarHBondContact N-O 2.81Å; D14-L22 VanDerWaalsContact N-O 3.13Å; D14-L22 PolarHBondContact OD1-N 3.4Å |
| 15 | M | 91.2 | Very high | 90.5 | Very high | 139 Ų | 139 | 93.8 Ų | 93.8 | 69% | 0.685 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | 54.8 | 41.1 | 179.7 | -63.7 | -65.9 | -71.7 | 0 | 0 | 113.9 | G17 S18 | M15-G17 PolarHBondContact O-N 3.19Å; M15-G17 VanDerWaalsContact O-N 3.15Å; M15-S18 WeakPolarHBondContact O-CB 3.42Å; M15-S18 PolarHBondContact O-N 2.81Å; M15-S18 VanDerWaalsContact O-N 3.1Å |
| 16 | A | 88.1 | Confident | 90.8 | Very high | 116 Ų | 116 | 93.8 Ų | 93.8 | 96% | 0.959 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | 53.2 | 30.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | D14 | D14-A16 VanDerWaalsContact C-N 3.3Å; D14-A16 PolarHBondContact O-N 2.82Å |
| 17 | G | 85.3 | Confident | 91 | Very high | 45 Ų | 45 | 93.4 Ų | 93.4 | 46% | 0.464 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | 86.3 | 12.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | D14 M15 | D14-G17 PolarHBondContact O-N 2.78Å; M15-G17 PolarHBondContact O-N 3.19Å; M15-G17 VanDerWaalsContact O-N 3.15Å |
| 18 | S | 86.8 | Confident | 91.1 | Very high | 50 Ų | 50 | 88.1 Ų | 88.1 | 35% | 0.35 | 54% | 0.535 | S | S | . | . | trans | -52.6 | 147.9 | 177.9 | -178 | 0 | 0 | 0 | 0 | 112.7 | K13 M15 V20 G21 | K13-S18 WeakPolarHBondContact CE-O 3.44Å; K13-S18 PolarHBondContact NZ-O 3.17Å; M15-S18 WeakPolarHBondContact O-CB 3.42Å; M15-S18 PolarHBondContact O-N 2.81Å; M15-S18 VanDerWaalsContact O-N 3.1Å; S18-V20 PolarHBondContact O-N 3.14Å; S18-V20 VanDerWaalsContact O-N 3.13Å; S18-V20 WeakPolarHBondContact OG-CG2 3.49Å; S18-G21 PolarHBondContact O-N 2.82Å | ||
| 19 | E | 83.9 | Confident | 91 | Very high | 186 Ų | 186 | 88 Ų | 88 | 87% | 0.869 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.1 | -179.5 | -69.3 | -154.4 | 151.9 | 0 | 0 | 113 | K13 | K13-E19 PolarHBondContact NZ-O 2.92Š|
| 20 | V | 86.6 | Confident | 90.8 | Very high | 127 Ų | 127 | 85.7 Ų | 85.7 | 77% | 0.77 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -2.2 | 178.2 | -62 | 0 | 0 | 0 | 0 | 114.6 | S18 | S18-V20 PolarHBondContact O-N 3.14Å; S18-V20 VanDerWaalsContact O-N 3.13Å; S18-V20 WeakPolarHBondContact OG-CG2 3.49Å |
| 21 | G | 85.6 | Confident | 90.5 | Very high | 10 Ų | 10 | 85.8 Ų | 85.8 | 10% | 0.103 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -71.4 | 149.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K13 D14 S18 | K13-G21 WeakPolarHBondContact CE-O 3.4Å; D14-G21 VanDerWaalsContact OD1-C 3.28Å; D14-G21 WeakPolarHBondContact OD1-CA 3.49Å; S18-G21 PolarHBondContact O-N 2.82Å |
| 22 | L | 91.3 | Very high | 90.2 | Very high | 137 Ų | 137 | 86.7 Ų | 86.7 | 72% | 0.717 | 54% | 0.535 | S | S | * | . | trans | -76.3 | 143.7 | 175.5 | -63.7 | 176.7 | 0 | 0 | 0 | 110.6 | K13 D14 | K13-L22 WeakPolarHBondContact CA-O 3.26Å; D14-L22 PolarHBondContact N-O 2.81Å; D14-L22 VanDerWaalsContact N-O 3.13Å; D14-L22 PolarHBondContact OD1-N 3.4Å | ||
| 23 | T | 92 | Very high | 89.9 | Confident | 91 Ų | 91 | 88.5 Ų | 88.5 | 56% | 0.558 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 140.9 | 179.2 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | V11 A12 K13 | V11-T23 HydrophobicContact CG1-CG2 4.1Å; A12-T23 CarbonylContact O-C 3.55Å; A12-T23 VanDerWaalsContact O-CA 3.25Å; A12-T23 WeakPolarHBondContact O-CA 3.44Å; K13-T23 HydrophobicContact CB-CG2 4.01Å; K13-T23 HydrophobicContact CD-CG2 3.8Å; K13-T23 HydrophobicContact CG-CG2 3.69Å |
| 24 | G | 93 | Very high | 89.7 | Confident | 41 Ų | 41 | 87.1 Ų | 87.1 | 42% | 0.423 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 148.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V11 A12 | V11-G24 WeakPolarHBondContact CA-O 3.38Å; A12-G24 PolarHBondContact N-O 3.41Å; A12-G24 PolarHBondContact O-N 3.48Å |
| 25 | T | 94.3 | Very high | 89.7 | Confident | 90 Ų | 90 | 89.9 Ų | 89.9 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.4 | 177.9 | 67.3 | 0 | 0 | 0 | 0 | 111.5 | I10 V11 | I10-T25 CarbonylContact O-C 3.53Å; I10-T25 VanDerWaalsContact O-CA 3.27Å; I10-T25 WeakPolarHBondContact O-CA 3.33Å; V11-T25 HydrophobicContact CB-CG2 4.49Å; V11-T25 HydrophobicContact CG1-CG2 4.29Å; V11-T25 HydrophobicContact CG2-CG2 3.92Å |
| 26 | A | 95 | Very high | 89.9 | Confident | 60 Ų | 60 | 83.5 Ų | 83.5 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 150 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | I10 | I10-A26 PolarHBondContact N-O 3.24Å; I10-A26 PolarHBondContact O-N 3.46Å |
| 27 | T | 94.8 | Very high | 90.2 | Very high | 102 Ų | 102 | 81.7 Ų | 81.7 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 127.6 | 174.5 | -50 | 0 | 0 | 0 | 0 | 109.7 | E7 L8 | E7-T27 HydrophobicContact CB-CG2 4.36Å; L8-T27 CarbonylContact O-C 3.6Å; L8-T27 WeakPolarHBondContact O-CA 3.43Å |
| 28 | A | 92.4 | Very high | 90.6 | Very high | 36 Ų | 36 | 82.8 Ų | 82.8 | 30% | 0.298 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | L8 I10 | L8-A28 PolarHBondContact N-O 2.95Å; L8-A28 PolarHBondContact O-N 3.35Å; I10-A28 HydrophobicContact CD1-CB 4.34Å; I10-A28 HydrophobicContact CG1-CB 3.82Å |
| 29 | T | 91.6 | Very high | 91 | Very high | 82 Ų | 82 | 81.2 Ų | 81.2 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.9 | 173.6 | -50.9 | 0 | 0 | 0 | 0 | 108.8 | T5 Y6 E7 | T5-T29 HydrophobicContact CG2-CG2 3.4Å; T5-T29 VanDerWaalsContact CG2-CG2 3.4Å; Y6-T29 CarbonylContact O-C 3.54Å; Y6-T29 WeakPolarHBondContact O-CA 3.35Å; E7-T29 HydrophobicContact CG-CG2 4.38Å |
| 30 | I | 90.6 | Very high | 91.6 | Very high | 86 Ų | 86 | 72.3 Ų | 72.3 | 44% | 0.441 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 115.8 | 176.3 | -57.7 | 174.2 | 0 | 0 | 0 | 107.9 | T5 Y6 L8 | T5-I30 CarbonylContact C-O 3.5Å; T5-I30 WeakPolarHBondContact CA-O 3.4Å; Y6-I30 PolarHBondContact N-O 2.87Å; Y6-I30 PolarHBondContact O-N 2.94Å; L8-I30 HydrophobicContact CD1-CD1 3.54Å; L8-I30 HydrophobicContact CG-CD1 4.32Å |
| 31 | T | 87.6 | Confident | 92.1 | Very high | 92 Ų | 92 | 71 Ų | 71 | 56% | 0.564 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.5 | 173.4 | 53.2 | 0 | 0 | 0 | 0 | 109.7 | T4 T5 | T4-T31 CarbonylContact O-C 3.48Å; T4-T31 WeakPolarHBondContact O-CA 3.34Å; T5-T31 HydrophobicContact CG2-CG2 4.28Å |
| 32 | I | 87.5 | Confident | 92.7 | Very high | 103 Ų | 103 | 71.2 Ų | 71.2 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 117.4 | 171.8 | -57.7 | -175.7 | 0 | 0 | 0 | 107.6 | T4 Y6 | T4-I32 PolarHBondContact O-N 3.22Å; Y6-I32 HydrophobicContact CD2-CD1 4.27Å; Y6-I32 HydrophobicContact CD2-CG1 4.42Å; Y6-I32 HydrophobicContact CE2-CD1 3.54Å; Y6-I32 HydrophobicContact CE2-CG1 4.14Å |
| 33 | T | 86.8 | Confident | 92.9 | Very high | 105 Ų | 105 | 67.9 Ų | 67.9 | 64% | 0.644 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -83.4 | 138 | 173.8 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 34 | D | 88.7 | Confident | 93.1 | Very high | 53 Ų | 53 | 68.6 Ų | 68.6 | 28% | 0.283 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 149.5 | 175.3 | -170.9 | 50.6 | 0 | 0 | 0 | 112.9 | D69 T72 | D34-D69 HydrophobicContact CB-CB 3.83Å; D34-D69 WeakPolarHBondContact OD2-CB 3.41Å; D34-D69 PolarHBondContact OD2-N 2.02Å; D34-D69 VanDerWaalsContact OD2-N 3.12Å; D34-T72 HydrophobicContact CB-CG2 4.2Å; D34-T72 PolarHBondContact OD2-OG1 3.06Å |
| 35 | K | 91.8 | Very high | 93.3 | Very high | 136 Ų | 136 | 71.7 Ų | 71.7 | 59% | 0.591 | 41% | 0.406 | S | S | * | . | trans | -139.6 | 149.6 | 173.5 | -75 | -63.1 | 179.4 | -169.3 | 0 | 107.8 | D37 V130 | K35-D37 VanDerWaalsContact C-N 3.27Å; K35-D37 PolarHBondContact O-N 3.03Å; K35-V130 HydrophobicContact CB-CG1 4.3Å | ||
| 36 | N | 94.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 70.8 Ų | 70.8 | 3% | 0.032 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -70.7 | 83.6 | 176.6 | -171.5 | -0.3 | 0 | 0 | 0 | 111.4 | H38 D68 A74 N125 D127 L129 V130 | N36-H38 PolarHBondContact OD1-O 3.08Å; N36-D68 VanDerWaalsContact CA-OD2 3.26Å; N36-D68 WeakPolarHBondContact CA-OD2 3.08Å; N36-D68 PolarHBondContact OD1-OD2 2.83Å; N36-D68 VanDerWaalsContact OD1-OD2 3.06Å; N36-A74 HydrophobicContact CB-CB 3.59Å; N36-N125 VanDerWaalsContact ND2-CB 3.33Å; N36-N125 WeakPolarHBondContact ND2-CB 3.14Å; N36-N125 VanDerWaalsContact ND2-CG 3.33Å; N36-N125 PolarHBondContact ND2-OD1 3.06Å; N36-N125 PolarHBondContact OD1-OD1 3.33Å; N36-D127 HydrophobicContact CB-CB 4.48Å; N36-D127 PolarHBondContact ND2-O 3.1Å; N36-L129 WeakPolarHBondContact OD1-CD2 3.28Å; N36-V130 PolarHBondContact O-N 3.4Å |
| 37 | D | 93.8 | Very high | 93.6 | Very high | 77 Ų | 77 | 68.8 Ų | 68.8 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | trans | -114.2 | -0.7 | 177.4 | 70.4 | -10.4 | 0 | 0 | 0 | 113.3 | K35 D68 V130 | K35-D37 VanDerWaalsContact C-N 3.27Å; K35-D37 PolarHBondContact O-N 3.03Å; D37-D68 PolarHBondContact N-OD2 2.01Å; D37-V130 HydrophobicContact CB-CG2 3.93Å | ||
| 38 | H | 93.4 | Very high | 93.7 | Very high | 69 Ų | 69 | 71 Ų | 71 | 32% | 0.319 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -121 | 114.9 | 168.7 | -60.6 | 86 | 0 | 0 | 0 | 111 | N36 R67 D68 | N36-H38 PolarHBondContact OD1-O 3.08Å; H38-R67 HydrophobicContact CB-CB 4Å; H38-D68 WeakPolarHBondContact CB-OD1 3Å; H38-D68 IonicContact CG-OD1 3.5Å; H38-D68 PolarHBondContact N-OD1 3.46Å; H38-D68 PolarHBondContact N-OD2 3.48Å; H38-D68 IonicContact ND1-OD1 2.85Å; H38-D68 PolarHBondContact ND1-OD1 2.91Å |
| 39 | A | 95.2 | Very high | 93.9 | Very high | 16 Ų | 16 | 69.7 Ų | 69.7 | 13% | 0.132 | 37% | 0.37 | C | S | . | . | trans | -70.2 | 147.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L129 Y135 | A39-L129 HydrophobicContact CB-CD1 4.11Å; A39-L129 HydrophobicContact CB-CD2 4.04Å; A39-Y135 HydrophobicContact CB-CD1 4.01Å; A39-Y135 HydrophobicContact CB-CE1 4.33Å | ||
| 40 | P | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -70.8 | 134.4 | 176.8 | 25.5 | -32 | 0 | 0 | 0 | 109.1 | D66 V123 N125 Y135 S139 | P40-D66 HydrophobicContact CB-CB 4.3Å; P40-V123 HydrophobicContact CB-CG1 4.07Å; P40-V123 HydrophobicContact CB-CG2 3.97Å; P40-V123 HydrophobicContact CG-CB 4.45Å; P40-V123 HydrophobicContact CG-CG1 4.02Å; P40-V123 HydrophobicContact CG-CG2 3.85Å; P40-N125 VanDerWaalsContact CD-CG 3.48Å; P40-N125 VanDerWaalsContact CD-ND2 3.29Å; P40-N125 WeakPolarHBondContact CD-ND2 3.39Å; P40-N125 WeakPolarHBondContact CD-OD1 3.34Å; P40-N125 WeakPolarHBondContact CG-ND2 3.49Å; P40-Y135 HydrophobicContact CG-CE1 4.48Å; P40-S139 PolarHBondContact O-OG 2.79Å | ||
| 41 | E | 96.9 | Very high | 94.5 | Very high | 98 Ų | 98 | 70.6 Ų | 70.6 | 46% | 0.458 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.9 | -177.9 | -65.6 | -172.7 | 177.1 | 0 | 0 | 110 | T43 V64 D65 | E41-T43 PolarHBondContact O-N 2.78Å; E41-V64 CarbonylContact O-C 3.59Å; E41-V64 WeakPolarHBondContact O-CA 3.49Å; E41-D65 PolarHBondContact N-O 3.48Å; E41-D65 PolarHBondContact O-N 3.48Å |
| 42 | F | 98.1 | Very high | 94.8 | Very high | 16 Ų | 16 | 70.5 Ų | 70.5 | 7% | 0.07 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 136.4 | 170.4 | -71.8 | -76.6 | 0 | 0 | 0 | 110.2 | H44 F47 L62 V64 Y79 I121 V123 S138 A141 | F42-H44 WeakPolarHBondContact CB-O 3.09Å; F42-H44 PolarHBondContact O-N 2.81Å; F42-F47 HydrophobicContact CB-CE2 4.25Å; F42-F47 AromaticContact CD1-CE2 3.79Å; F42-F47 HydrophobicContact CD1-CE2 3.79Å; F42-F47 HydrophobicContact CD1-CZ 4.11Å; F42-F47 HydrophobicContact CG-CE2 4.27Å; F42-L62 HydrophobicContact CD1-CB 4.4Å; F42-L62 HydrophobicContact CE1-CB 3.88Å; F42-L62 HydrophobicContact CE1-CD1 4.29Å; F42-V64 HydrophobicContact CD1-CG1 3.58Å; F42-V64 HydrophobicContact CE1-CG1 3.77Å; F42-V64 HydrophobicContact CG-CG1 4.16Å; F42-V64 HydrophobicContact CZ-CG1 4.49Å; F42-Y79 HydrophobicContact CE1-CD1 4.19Å; F42-Y79 AromaticContact CE1-CE1 3.78Å; F42-Y79 HydrophobicContact CE1-CE1 3.78Å; F42-Y79 HydrophobicContact CZ-CD1 4.11Å; F42-Y79 HydrophobicContact CZ-CE1 4.07Å; F42-I121 HydrophobicContact CZ-CB 4.3Å; F42-I121 HydrophobicContact CZ-CG2 3.97Å; F42-V123 HydrophobicContact CD2-CG1 3.99Å; F42-V123 HydrophobicContact CE2-CB 3.98Å; F42-V123 HydrophobicContact CE2-CG1 3.57Å; F42-V123 HydrophobicContact CZ-CB 3.84Å; F42-V123 HydrophobicContact CZ-CG1 3.89Å; F42-S138 WeakPolarHBondContact CD2-O 3.31Å; F42-S138 PolarHBondContact N-O 2.94Å; F42-A141 HydrophobicContact CB-CB 3.97Å; F42-A141 HydrophobicContact CD1-CB 3.95Å; F42-A141 HydrophobicContact CD2-CB 3.44Å; F42-A141 VanDerWaalsContact CD2-CB 3.44Å; F42-A141 HydrophobicContact CE1-CB 4.29Å; F42-A141 HydrophobicContact CE2-CB 3.82Å; F42-A141 HydrophobicContact CG-CB 3.51Å; F42-A141 HydrophobicContact CZ-CB 4.24Å |
| 43 | T | 96.9 | Very high | 95.1 | Very high | 66 Ų | 66 | 66 Ų | 66 | 41% | 0.405 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -65.1 | -25.9 | 177.4 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | E41 T63 | E41-T43 PolarHBondContact O-N 2.78Å; T43-T63 PolarHBondContact N-O 3.32Å; T43-T63 PolarHBondContact OG1-O 2.89Å; T43-T63 PolarHBondContact OG1-OG1 3.13Å |
| 44 | H | 96.3 | Very high | 95.4 | Very high | 106 Ų | 106 | 63.2 Ų | 63.2 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | trans | -135.8 | 142.3 | 178.8 | -56.5 | 81.8 | 0 | 0 | 0 | 110.3 | F42 L46 F47 | F42-H44 WeakPolarHBondContact CB-O 3.09Å; F42-H44 PolarHBondContact O-N 2.81Å; H44-L46 VanDerWaalsContact C-N 3.28Å; H44-L46 PolarHBondContact O-N 3.44Å; H44-F47 HydrophobicContact CB-CE1 4.47Å; H44-F47 HydrophobicContact CB-CE2 4.38Å; H44-F47 HydrophobicContact CB-CZ 4.16Å; H44-F47 WeakPolarHBondContact O-CE2 3.4Å | ||
| 45 | P | 96.2 | Very high | 95.6 | Very high | 106 Ų | 106 | 63 Ų | 63 | 69% | 0.688 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -76 | -16.4 | 176.6 | 31.2 | -35.9 | 0 | 0 | 0 | 113.4 | T142 | P45-T142 PolarHBondContact O-N 2.83Š|
| 46 | L | 97.6 | Very high | 95.7 | Very high | 72 Ų | 72 | 64.6 Ų | 64.6 | 38% | 0.377 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 129.3 | -178.9 | 175.9 | 64.7 | 0 | 0 | 0 | 109.9 | H44 E48 T142 H144 | H44-L46 VanDerWaalsContact C-N 3.28Å; H44-L46 PolarHBondContact O-N 3.44Å; L46-E48 HydrophobicContact CG-CG 4.42Å; L46-T142 CarbonylContact C-O 3.47Å; L46-T142 WeakPolarHBondContact CA-O 3.23Å; L46-T142 HydrophobicContact CD1-CG2 4.15Å; L46-H144 HydrophobicContact CD1-CB 4.4Å |
| 47 | F | 98.1 | Very high | 95.8 | Very high | 18 Ų | 18 | 65.9 Ų | 65.9 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.8 | 168.8 | -63.7 | -95 | 0 | 0 | 0 | 109.5 | F42 H44 L62 A141 T142 V143 H144 | F42-F47 HydrophobicContact CB-CE2 4.25Å; F42-F47 AromaticContact CD1-CE2 3.79Å; F42-F47 HydrophobicContact CD1-CE2 3.79Å; F42-F47 HydrophobicContact CD1-CZ 4.11Å; F42-F47 HydrophobicContact CG-CE2 4.27Å; H44-F47 HydrophobicContact CB-CE1 4.47Å; H44-F47 HydrophobicContact CB-CE2 4.38Å; H44-F47 HydrophobicContact CB-CZ 4.16Å; H44-F47 WeakPolarHBondContact O-CE2 3.4Å; F47-L62 HydrophobicContact CB-CD2 4.03Å; F47-L62 HydrophobicContact CD1-CD2 4.03Å; F47-L62 HydrophobicContact CD2-CD2 3.79Å; F47-L62 HydrophobicContact CE1-CD2 4.47Å; F47-L62 HydrophobicContact CE2-CD2 4.25Å; F47-L62 HydrophobicContact CG-CD2 3.67Å; F47-A141 HydrophobicContact CD2-CB 4.03Å; F47-A141 HydrophobicContact CE2-CB 3.83Å; F47-T142 PolarHBondContact N-O 2.91Å; F47-V143 HydrophobicContact CB-CG1 4.23Å; F47-V143 HydrophobicContact CB-CG2 4.22Å; F47-V143 CarbonylContact O-C 3.47Å; F47-V143 WeakPolarHBondContact O-CA 3.46Å; F47-H144 PolarHBondContact O-N 3.08Å |
| 48 | E | 97.8 | Very high | 95.9 | Very high | 148 Ų | 148 | 66.1 Ų | 66.1 | 69% | 0.692 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.4 | 177.3 | -62.8 | -172.3 | 154.2 | 0 | 0 | 109.7 | L46 H144 | L46-E48 HydrophobicContact CG-CG 4.42Å; E48-H144 WeakPolarHBondContact CA-O 3.44Å; E48-H144 HydrophobicContact CG-CB 4.45Å |
| 49 | A | 96.6 | Very high | 96 | Very high | 8 Ų | 8 | 64.2 Ų | 64.2 | 7% | 0.066 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 149.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V59 V60 H144 V145 T146 | A49-V59 HydrophobicContact CB-CB 4.29Å; A49-V59 HydrophobicContact CB-CG2 4.45Å; A49-V60 HydrophobicContact CB-CB 3.98Å; A49-V60 HydrophobicContact CB-CG1 4.11Å; A49-H144 PolarHBondContact N-O 2.91Å; A49-V145 HydrophobicContact CB-CG2 4.38Å; A49-V145 WeakPolarHBondContact O-CA 3.42Å; A49-T146 PolarHBondContact O-N 2.86Å |
| 50 | R | 96.6 | Very high | 96.1 | Very high | 174 Ų | 174 | 64.6 Ų | 64.6 | 66% | 0.657 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.2 | 172.5 | -72.3 | 165 | 176.6 | -96.1 | -3.4 | 108.2 | T146 E148 | R50-T146 WeakPolarHBondContact CA-O 3.47Å; R50-E148 HydrophobicContact CB-CG 4.4Å; R50-E148 WeakPolarHBondContact CD-OE1 3.24Å; R50-E148 IonicContact CZ-OE1 3.96Å; R50-E148 IonicContact NH1-OE1 2.99Å; R50-E148 PolarHBondContact NH1-OE1 2.88Å |
| 51 | V | 96.6 | Very high | 96.1 | Very high | 14 Ų | 14 | 67.8 Ų | 67.8 | 9% | 0.085 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 132.3 | 179.3 | 65.2 | 0 | 0 | 0 | 0 | 108.5 | V59 V105 L109 V145 T146 V147 E148 | V51-V59 HydrophobicContact CB-CG1 3.78Å; V51-V59 HydrophobicContact CG1-CG1 4.4Å; V51-V59 HydrophobicContact CG2-CG1 3.67Å; V51-V105 HydrophobicContact CG2-CG2 4.41Å; V51-L109 HydrophobicContact CG1-CD1 3.82Å; V51-V145 HydrophobicContact CG1-CG1 3.67Å; V51-T146 PolarHBondContact N-O 3.04Å; V51-V147 CarbonylContact O-C 3.52Å; V51-V147 VanDerWaalsContact O-CA 3.31Å; V51-V147 WeakPolarHBondContact O-CA 3.43Å; V51-E148 PolarHBondContact O-N 3.34Å |
| 52 | H | 95.3 | Very high | 96.1 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 142 | 169.6 | -72.2 | -56.6 | 0 | 0 | 0 | 110.2 | S55 E148 I150 | H52-S55 WeakPolarHBondContact O-CB 3.2Å; H52-S55 PolarHBondContact O-N 2.76Å; H52-S55 PolarHBondContact O-OG 2.84Å; H52-E148 WeakPolarHBondContact CA-O 3.32Å; H52-E148 IonicContact CE1-OE2 2.74Å; H52-E148 PolarHBondContact CE1-OE2 2.9Å; H52-E148 VanDerWaalsContact CE1-OE2 3.28Å; H52-E148 IonicContact ND1-OE2 2.88Å; H52-E148 IonicContact NE2-OE2 3.02Å; H52-I150 HydrophobicContact CB-CD1 3.51Å; H52-I150 HydrophobicContact CB-CG1 4.16Å |
| 53 | E | 94.3 | Very high | 96.1 | Very high | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 162.4 | 172.2 | 79.7 | -171.3 | 119 | 0 | 0 | 112.4 | S55 L109 Y111 V147 E148 D149 I150 | E53-S55 PolarHBondContact O-N 3.49Å; E53-S55 PolarHBondContact O-OG 2.83Å; E53-L109 WeakPolarHBondContact CB-O 3.21Å; E53-Y111 VanDerWaalsContact OE2-CB 3.32Å; E53-Y111 WeakPolarHBondContact OE2-CB 3.35Å; E53-Y111 PolarHBondContact OE2-N 3.37Å; E53-V147 HydrophobicContact CB-CG1 3.7Å; E53-E148 PolarHBondContact N-O 2.87Å; E53-E148 VanDerWaalsContact N-O 3.09Å; E53-D149 WeakPolarHBondContact OE1-CA 3.31Å; E53-I150 HydrophobicContact CG-CB 4.28Å; E53-I150 PolarHBondContact OE1-N 3.27Å |
| 54 | G | 91.6 | Very high | 96.1 | Very high | 46 Ų | 46 | 62.3 Ų | 62.3 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | -20.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L109 | G54-L109 PolarHBondContact N-O 2.98Š|
| 55 | S | 93.3 | Very high | 96.1 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 34% | 0.343 | 33% | 0.332 | S | S | . | . | trans | -76.9 | 154.2 | -173.5 | -60.2 | 0 | 0 | 0 | 0 | 112.8 | H52 E53 V105 | H52-S55 WeakPolarHBondContact O-CB 3.2Å; H52-S55 PolarHBondContact O-N 2.76Å; H52-S55 PolarHBondContact O-OG 2.84Å; E53-S55 PolarHBondContact O-N 3.49Å; E53-S55 PolarHBondContact O-OG 2.83Å; S55-V105 WeakPolarHBondContact O-CG1 3.21Å | ||
| 56 | R | 95.1 | Very high | 96 | Very high | 168 Ų | 168 | 57.2 Ų | 57.2 | 63% | 0.634 | 30% | 0.302 | S | S | * | . | trans | -132.3 | 154.9 | 175.2 | -68.4 | -176.5 | 178.3 | 85.8 | -9.6 | 110.3 | V105 V106 | R56-V105 WeakPolarHBondContact CA-O 3.41Å; R56-V106 PolarHBondContact NE-O 3.14Å | ||
| 57 | G | 95.2 | Very high | 95.8 | Very high | 34 Ų | 34 | 62.6 Ų | 62.6 | 35% | 0.351 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 120.9 | -172.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V59 S104 V105 | G57-V59 PolarHBondContact O-N 2.99Å; G57-S104 CarbonylContact O-C 3.58Å; G57-S104 WeakPolarHBondContact O-CA 3.28Å; G57-S104 WeakPolarHBondContact O-CB 3.44Å; G57-V105 PolarHBondContact N-O 2.81Å; G57-V105 VanDerWaalsContact N-O 3.09Å; G57-V105 PolarHBondContact O-N 2.85Å |
| 58 | V | 96 | Very high | 95.6 | Very high | 82 Ų | 82 | 62 Ų | 62 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 128.6 | -177.3 | -177.4 | 0 | 0 | 0 | 0 | 110 | M102 L103 | V58-M102 HydrophobicContact CG1-CB 4.1Å; V58-M102 HydrophobicContact CG2-CB 4.17Å; V58-M102 HydrophobicContact CG2-SD 4.46Å; V58-L103 CarbonylContact C-O 3.56Å; V58-L103 WeakPolarHBondContact CA-O 3.31Å |
| 59 | V | 95.8 | Very high | 95.3 | Very high | 29 Ų | 29 | 58.6 Ų | 58.6 | 18% | 0.176 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -31.4 | -178.9 | -67.7 | 0 | 0 | 0 | 0 | 112.9 | A49 V51 G57 L103 V105 | A49-V59 HydrophobicContact CB-CB 4.29Å; A49-V59 HydrophobicContact CB-CG2 4.45Å; V51-V59 HydrophobicContact CB-CG1 3.78Å; V51-V59 HydrophobicContact CG1-CG1 4.4Å; V51-V59 HydrophobicContact CG2-CG1 3.67Å; G57-V59 PolarHBondContact O-N 2.99Å; V59-L103 HydrophobicContact CG2-CB 4.32Å; V59-L103 HydrophobicContact CG2-CD2 4.04Å; V59-L103 HydrophobicContact CG2-CG 3.97Å; V59-L103 VanDerWaalsContact CG2-O 3.32Å; V59-L103 WeakPolarHBondContact CG2-O 2.99Å; V59-L103 PolarHBondContact N-O 2.91Å; V59-V105 HydrophobicContact CG1-CG2 3.63Å |
| 60 | V | 96.9 | Very high | 95.1 | Very high | 24 Ų | 24 | 61.9 Ų | 61.9 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 145.3 | 176.3 | 64.9 | 0 | 0 | 0 | 0 | 110.8 | A49 L62 L103 V143 | A49-V60 HydrophobicContact CB-CB 3.98Å; A49-V60 HydrophobicContact CB-CG1 4.11Å; V60-L62 HydrophobicContact CG1-CD2 4.03Å; V60-L103 HydrophobicContact CG1-CB 3.93Å; V60-L103 HydrophobicContact CG1-CD2 3.93Å; V60-L103 PolarHBondContact N-O 2.73Å; V60-L103 PolarHBondContact O-N 3.22Å; V60-V143 HydrophobicContact CG1-CG1 4.02Å |
| 61 | N | 97.1 | Very high | 94.7 | Very high | 67 Ų | 67 | 57 Ų | 57 | 36% | 0.358 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 124.1 | 168.9 | -69.7 | 3 | 0 | 0 | 0 | 109.5 | E100 G101 | N61-E100 HydrophobicContact CB-CB 4.45Å; N61-E100 WeakPolarHBondContact CB-OE2 3.36Å; N61-E100 PolarHBondContact ND2-OE2 2.86Å; N61-G101 CarbonylContact C-O 3.56Å; N61-G101 WeakPolarHBondContact CA-O 2.93Å |
| 62 | L | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 116.9 | 176.5 | -50.8 | 176.4 | 0 | 0 | 0 | 108.2 | F42 F47 V60 Y79 V92 E100 G101 I121 V143 | F42-L62 HydrophobicContact CD1-CB 4.4Å; F42-L62 HydrophobicContact CE1-CB 3.88Å; F42-L62 HydrophobicContact CE1-CD1 4.29Å; F47-L62 HydrophobicContact CB-CD2 4.03Å; F47-L62 HydrophobicContact CD1-CD2 4.03Å; F47-L62 HydrophobicContact CD2-CD2 3.79Å; F47-L62 HydrophobicContact CE1-CD2 4.47Å; F47-L62 HydrophobicContact CE2-CD2 4.25Å; F47-L62 HydrophobicContact CG-CD2 3.67Å; V60-L62 HydrophobicContact CG1-CD2 4.03Å; L62-Y79 HydrophobicContact CB-CE1 4.4Å; L62-Y79 HydrophobicContact CD1-CD1 4.48Å; L62-V92 HydrophobicContact CD1-CG2 4.22Å; L62-E100 CarbonylContact O-C 3.54Å; L62-E100 WeakPolarHBondContact O-CA 3.33Å; L62-G101 WeakPolarHBondContact CB-O 3.22Å; L62-G101 WeakPolarHBondContact CG-O 3.19Å; L62-G101 PolarHBondContact N-O 3.14Å; L62-G101 PolarHBondContact O-N 3.18Å; L62-I121 HydrophobicContact CD1-CB 4.25Å; L62-I121 HydrophobicContact CD1-CG1 4.02Å; L62-I121 HydrophobicContact CD1-CG2 3.8Å; L62-V143 HydrophobicContact CD2-CG2 3.71Å |
| 63 | T | 97.6 | Very high | 94.3 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 24% | 0.239 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 134.8 | -177.5 | 46.9 | 0 | 0 | 0 | 0 | 110.4 | T43 E100 | T43-T63 PolarHBondContact N-O 3.32Å; T43-T63 PolarHBondContact OG1-O 2.89Å; T43-T63 PolarHBondContact OG1-OG1 3.13Å; T63-E100 HydrophobicContact CG2-CG 3.96Å |
| 64 | V | 96.8 | Very high | 94.3 | Very high | 26 Ų | 26 | 53.7 Ų | 53.7 | 16% | 0.158 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 151.3 | 178.2 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | E41 F42 A77 Y79 V123 | E41-V64 CarbonylContact O-C 3.59Å; E41-V64 WeakPolarHBondContact O-CA 3.49Å; F42-V64 HydrophobicContact CD1-CG1 3.58Å; F42-V64 HydrophobicContact CE1-CG1 3.77Å; F42-V64 HydrophobicContact CG-CG1 4.16Å; F42-V64 HydrophobicContact CZ-CG1 4.49Å; V64-A77 HydrophobicContact CG2-CB 4.35Å; V64-Y79 HydrophobicContact CG1-CE1 3.81Å; V64-Y79 WeakPolarHBondContact CG1-OH 3.41Å; V64-Y79 WeakPolarHBondContact CG2-OH 3.38Å; V64-V123 HydrophobicContact CG1-CB 4.46Å; V64-V123 HydrophobicContact CG1-CG1 4.19Å; V64-V123 HydrophobicContact CG1-CG2 4.27Å |
| 65 | D | 95.6 | Very high | 94.4 | Very high | 94 Ų | 94 | 54.1 Ų | 54.1 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.4 | 168.8 | -170.1 | 42.4 | 0 | 0 | 0 | 108.6 | E41 | E41-D65 PolarHBondContact N-O 3.48Å; E41-D65 PolarHBondContact O-N 3.48Å |
| 66 | D | 94.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.059 | 30% | 0.297 | C | S | . | . | trans | -143.2 | 134 | 176.5 | -167.1 | -41.6 | 0 | 0 | 0 | 107.4 | P40 D68 W75 N125 | P40-D66 HydrophobicContact CB-CB 4.3Å; D66-D68 WeakPolarHBondContact OD1-CB 3.29Å; D66-D68 PolarHBondContact OD1-N 2.95Å; D66-W75 HydrophobicContact CB-CG 4.48Å; D66-W75 PolarHBondContact O-NE1 2.81Å; D66-N125 PolarHBondContact OD2-ND2 2.83Å | ||
| 67 | R | 93.6 | Very high | 94.6 | Very high | 184 Ų | 184 | 48.7 Ų | 48.7 | 69% | 0.694 | 27% | 0.267 | S | S | * | . | trans | -97.1 | -3.2 | -170.6 | -62.1 | -177.1 | -177.2 | 155 | 7.9 | 113.4 | H38 | H38-R67 HydrophobicContact CB-CB 4Š| ||
| 68 | D | 93.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.032 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -75.9 | 173 | 176.4 | -65.2 | -18.5 | 0 | 0 | 0 | 111.3 | N36 D37 H38 D66 P70 A74 | N36-D68 VanDerWaalsContact CA-OD2 3.26Å; N36-D68 WeakPolarHBondContact CA-OD2 3.08Å; N36-D68 PolarHBondContact OD1-OD2 2.83Å; N36-D68 VanDerWaalsContact OD1-OD2 3.06Å; D37-D68 PolarHBondContact N-OD2 2.01Å; H38-D68 WeakPolarHBondContact CB-OD1 3Å; H38-D68 IonicContact CG-OD1 3.5Å; H38-D68 PolarHBondContact N-OD1 3.46Å; H38-D68 PolarHBondContact N-OD2 3.48Å; H38-D68 IonicContact ND1-OD1 2.85Å; H38-D68 PolarHBondContact ND1-OD1 2.91Å; D66-D68 WeakPolarHBondContact OD1-CB 3.29Å; D66-D68 PolarHBondContact OD1-N 2.95Å; D68-P70 VanDerWaalsContact O-CD 3.31Å; D68-P70 WeakPolarHBondContact O-CD 3.37Å; D68-A74 HydrophobicContact CB-CB 3.85Å |
| 69 | D | 91.7 | Very high | 94.8 | Very high | 76 Ų | 76 | 48 Ų | 48 | 41% | 0.406 | 25% | 0.251 | S | S | . | . | trans | -68.6 | 120.6 | -173.6 | -175 | -20 | 0 | 0 | 0 | 111.4 | D34 A71 T72 W75 | D34-D69 HydrophobicContact CB-CB 3.83Å; D34-D69 WeakPolarHBondContact OD2-CB 3.41Å; D34-D69 PolarHBondContact OD2-N 2.02Å; D34-D69 VanDerWaalsContact OD2-N 3.12Å; D69-A71 PolarHBondContact O-N 2.98Å; D69-A71 WeakPolarHBondContact OD1-CB 3.28Å; D69-A71 PolarHBondContact OD1-N 2.92Å; D69-T72 HydrophobicContact CB-CG2 3.88Å; D69-T72 PolarHBondContact O-N 3.14Å; D69-T72 PolarHBondContact O-OG1 3.4Å; D69-W75 WeakPolarHBondContact O-CB 3.32Å | ||
| 70 | P | 91 | Very high | 94.8 | Very high | 78 Ų | 78 | 48.9 Ų | 48.9 | 51% | 0.506 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -16.8 | -179.4 | -25.7 | 35.2 | 0 | 0 | 0 | 115.8 | D68 W75 | D68-P70 VanDerWaalsContact O-CD 3.31Å; D68-P70 WeakPolarHBondContact O-CD 3.37Å; P70-W75 HydrophobicContact CB-CD2 3.87Å; P70-W75 HydrophobicContact CB-CE3 4.02Å; P70-W75 HydrophobicContact CB-CG 4.25Å; P70-W75 HydrophobicContact CB-CH2 4.4Å; P70-W75 HydrophobicContact CB-CZ2 4.32Å; P70-W75 HydrophobicContact CB-CZ3 4.28Å; P70-W75 HydrophobicContact CG-CD2 4.35Å; P70-W75 HydrophobicContact CG-CG 4.41Å |
| 71 | A | 89.2 | Confident | 94.9 | Very high | 70 Ų | 70 | 50 Ų | 50 | 58% | 0.579 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -12.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | D69 R76 | D69-A71 PolarHBondContact O-N 2.98Å; D69-A71 WeakPolarHBondContact OD1-CB 3.28Å; D69-A71 PolarHBondContact OD1-N 2.92Å; A71-R76 PolarHBondContact O-NH2 2.82Å; A71-R76 VanDerWaalsContact O-NH2 3.12Å |
| 72 | T | 91.8 | Very high | 94.9 | Very high | 36 Ų | 36 | 50.9 Ų | 50.9 | 22% | 0.221 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -105.3 | 166.4 | -171 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | D34 D69 A74 W75 R76 | D34-T72 HydrophobicContact CB-CG2 4.2Å; D34-T72 PolarHBondContact OD2-OG1 3.06Å; D69-T72 HydrophobicContact CB-CG2 3.88Å; D69-T72 PolarHBondContact O-N 3.14Å; D69-T72 PolarHBondContact O-OG1 3.4Å; T72-A74 PolarHBondContact O-N 3.29Å; T72-A74 WeakPolarHBondContact OG1-CB 3.1Å; T72-A74 PolarHBondContact OG1-N 3.44Å; T72-W75 PolarHBondContact O-N 2.96Å; T72-R76 PolarHBondContact O-N 3.08Å |
| 73 | G | 92.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 7% | 0.072 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -11.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E126 D127 | G73-E126 PolarHBondContact O-N 3.28Å; G73-D127 WeakPolarHBondContact CA-OD2 3.28Å; G73-D127 PolarHBondContact O-N 2.75Å |
| 74 | A | 93.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -36.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | N36 D68 T72 N125 D127 | N36-A74 HydrophobicContact CB-CB 3.59Å; D68-A74 HydrophobicContact CB-CB 3.85Å; T72-A74 PolarHBondContact O-N 3.29Å; T72-A74 WeakPolarHBondContact OG1-CB 3.1Å; T72-A74 PolarHBondContact OG1-N 3.44Å; A74-N125 WeakPolarHBondContact O-CB 3.45Å; A74-N125 PolarHBondContact O-ND2 2.76Å; A74-D127 PolarHBondContact N-OD2 2.99Å |
| 75 | W | 94.6 | Very high | 94.8 | Very high | 55 Ų | 55 | 53.8 Ų | 53.8 | 21% | 0.208 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -28.7 | 176.4 | -177.2 | 87.2 | 0 | 0 | 0 | 114 | D66 D69 P70 T72 A77 N99 | D66-W75 HydrophobicContact CB-CG 4.48Å; D66-W75 PolarHBondContact O-NE1 2.81Å; D69-W75 WeakPolarHBondContact O-CB 3.32Å; P70-W75 HydrophobicContact CB-CD2 3.87Å; P70-W75 HydrophobicContact CB-CE3 4.02Å; P70-W75 HydrophobicContact CB-CG 4.25Å; P70-W75 HydrophobicContact CB-CH2 4.4Å; P70-W75 HydrophobicContact CB-CZ2 4.32Å; P70-W75 HydrophobicContact CB-CZ3 4.28Å; P70-W75 HydrophobicContact CG-CD2 4.35Å; P70-W75 HydrophobicContact CG-CG 4.41Å; T72-W75 PolarHBondContact O-N 2.96Å; W75-A77 PolarHBondContact O-N 2.83Å; W75-N99 HydrophobicContact CE3-CB 4.21Å; W75-N99 HydrophobicContact CH2-CB 3.35Å; W75-N99 HydrophobicContact CZ2-CB 3.77Å; W75-N99 HydrophobicContact CZ3-CB 3.58Å; W75-N99 PolarHBondContact O-ND2 3.04Å |
| 76 | R | 95.1 | Very high | 94.8 | Very high | 102 Ų | 102 | 55.2 Ų | 55.2 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | trans | -66.5 | 121.1 | -176.7 | -70.6 | -166.1 | -154.1 | 97.6 | 14.3 | 112 | A71 T72 N125 E126 | A71-R76 PolarHBondContact O-NH2 2.82Å; A71-R76 VanDerWaalsContact O-NH2 3.12Å; T72-R76 PolarHBondContact O-N 3.08Å; R76-N125 CarbonylContact O-C 3.57Å; R76-N125 VanDerWaalsContact O-CA 3.25Å; R76-N125 WeakPolarHBondContact O-CA 3.38Å; R76-E126 HydrophobicContact CB-CG 3.86Å; R76-E126 WeakPolarHBondContact CD-OE2 3.47Å; R76-E126 IonicContact CZ-OE2 2.89Å; R76-E126 IonicContact NH1-OE2 3.87Å; R76-E126 PolarHBondContact NH1-OE2 2.96Å; R76-E126 PolarHBondContact O-N 2.93Å | ||
| 77 | A | 96.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 141.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V64 W75 Y79 T94 N99 V123 E124 | V64-A77 HydrophobicContact CG2-CB 4.35Å; W75-A77 PolarHBondContact O-N 2.83Å; A77-Y79 HydrophobicContact CB-CD2 4.4Å; A77-Y79 HydrophobicContact CB-CE2 3.63Å; A77-T94 WeakPolarHBondContact O-CB 3.34Å; A77-T94 VanDerWaalsContact O-CG2 3.22Å; A77-T94 WeakPolarHBondContact O-CG2 3.2Å; A77-T94 PolarHBondContact O-OG1 3.08Å; A77-N99 WeakPolarHBondContact CB-OD1 3.28Å; A77-N99 PolarHBondContact N-OD1 3.46Å; A77-V123 HydrophobicContact CB-CG2 3.69Å; A77-E124 CarbonylContact C-O 3.56Å; A77-E124 WeakPolarHBondContact CA-O 3.27Å |
| 78 | L | 96.9 | Very high | 94.9 | Very high | 78 Ų | 78 | 58.8 Ų | 58.8 | 41% | 0.408 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 113.8 | 171.4 | -66.8 | -178.4 | 0 | 0 | 0 | 108.4 | V123 E124 E126 | L78-V123 WeakPolarHBondContact O-CA 3.36Å; L78-E124 PolarHBondContact N-O 2.87Å; L78-E124 PolarHBondContact O-N 2.77Å; L78-E126 HydrophobicContact CD1-CB 4.44Å; L78-E126 HydrophobicContact CD1-CG 4.08Å; L78-E126 HydrophobicContact CD2-CG 4Å; L78-E126 HydrophobicContact CG-CG 3.92Å |
| 79 | Y | 97.9 | Very high | 95.1 | Very high | 22 Ų | 22 | 58.9 Ų | 58.9 | 9% | 0.086 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 144.1 | -179.4 | -61.1 | -89.2 | 0 | 0 | 0 | 111.3 | F42 L62 V64 A77 V92 T94 N99 G101 I121 R122 V123 | F42-Y79 HydrophobicContact CE1-CD1 4.19Å; F42-Y79 AromaticContact CE1-CE1 3.78Å; F42-Y79 HydrophobicContact CE1-CE1 3.78Å; F42-Y79 HydrophobicContact CZ-CD1 4.11Å; F42-Y79 HydrophobicContact CZ-CE1 4.07Å; L62-Y79 HydrophobicContact CB-CE1 4.4Å; L62-Y79 HydrophobicContact CD1-CD1 4.48Å; V64-Y79 HydrophobicContact CG1-CE1 3.81Å; V64-Y79 WeakPolarHBondContact CG1-OH 3.41Å; V64-Y79 WeakPolarHBondContact CG2-OH 3.38Å; A77-Y79 HydrophobicContact CB-CD2 4.4Å; A77-Y79 HydrophobicContact CB-CE2 3.63Å; Y79-V92 VanDerWaalsContact CB-CG2 3.45Å; Y79-V92 HydrophobicContact CD1-CG2 4.5Å; Y79-V92 HydrophobicContact CG-CG2 3.95Å; Y79-T94 WeakPolarHBondContact CD2-OG1 3.43Å; Y79-T94 HydrophobicContact CE2-CG2 4.13Å; Y79-N99 PolarHBondContact OH-O 2.87Å; Y79-G101 VanDerWaalsContact CE2-N 3.32Å; Y79-G101 PolarHBondContact OH-N 2.95Å; Y79-I121 HydrophobicContact CD1-CG2 4.33Å; Y79-R122 WeakPolarHBondContact CA-O 3.5Å; Y79-V123 HydrophobicContact CD1-CB 4.01Å; Y79-V123 HydrophobicContact CD1-CG2 4.02Å; Y79-V123 HydrophobicContact CE1-CB 3.97Å; Y79-V123 HydrophobicContact CE1-CG2 3.74Å |
| 80 | S | 97.4 | Very high | 95.4 | Very high | 48 Ų | 48 | 55.8 Ų | 55.8 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 141.4 | 172.7 | 59.1 | 0 | 0 | 0 | 0 | 111.7 | I82 I121 R122 | S80-I82 PolarHBondContact O-N 3.35Å; S80-I121 WeakPolarHBondContact O-CA 3.17Å; S80-R122 PolarHBondContact N-O 3.18Å; S80-R122 PolarHBondContact O-N 3.27Å |
| 81 | I | 98.1 | Very high | 95.7 | Very high | 49 Ų | 49 | 56 Ų | 56 | 25% | 0.251 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 111.7 | 170.6 | -57.9 | 158.2 | 0 | 0 | 0 | 107.2 | D85 F90 V92 L103 I121 | I81-D85 HydrophobicContact CG2-CB 4.13Å; I81-F90 HydrophobicContact CD1-CB 3.8Å; I81-V92 HydrophobicContact CG1-CG1 4.13Å; I81-L103 HydrophobicContact CD1-CD1 4.31Å; I81-I121 HydrophobicContact CB-CD1 4.13Å; I81-I121 HydrophobicContact CG1-CD1 3.51Å; I81-I121 HydrophobicContact CG2-CD1 4.28Å |
| 82 | I | 97.1 | Very high | 96.1 | Very high | 85 Ų | 85 | 53.7 Ų | 53.7 | 44% | 0.436 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -17.1 | -176.5 | 57.1 | 164.2 | 0 | 0 | 0 | 113 | S80 L120 R122 T140 | S80-I82 PolarHBondContact O-N 3.35Å; I82-L120 HydrophobicContact CD1-CD2 3.5Å; I82-L120 HydrophobicContact CD1-CG 3.72Å; I82-L120 HydrophobicContact CG1-CB 4.01Å; I82-L120 HydrophobicContact CG1-CD2 3.86Å; I82-L120 HydrophobicContact CG1-CG 3.74Å; I82-L120 WeakPolarHBondContact CG1-O 3.17Å; I82-L120 PolarHBondContact N-O 2.84Å; I82-R122 HydrophobicContact CD1-CB 4.11Å; I82-R122 HydrophobicContact CG1-CB 4.34Å; I82-R122 HydrophobicContact CG2-CB 3.8Å; I82-T140 HydrophobicContact CD1-CG2 4.31Å |
| 83 | S | 97.1 | Very high | 96.3 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 51% | 0.51 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 162.5 | 174.2 | -169.7 | 0 | 0 | 0 | 0 | 111.7 | L120 | S83-L120 PolarHBondContact N-O 3.49Å; S83-L120 PolarHBondContact O-N 3.46Å |
| 84 | G | 95.8 | Very high | 96.5 | Very high | 27 Ų | 27 | 58.3 Ų | 58.3 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 97.4 | -7.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | P86 T118 L119 | G84-P86 WeakPolarHBondContact O-CD 3.39Å; G84-T118 VanDerWaalsContact CA-O 3.23Å; G84-T118 WeakPolarHBondContact CA-O 3.25Å; G84-L119 VanDerWaalsContact C-CD2 3.46Å; G84-L119 WeakPolarHBondContact O-CD2 3.46Å |
| 85 | D | 96.6 | Very high | 96.5 | Very high | 25 Ų | 25 | 59.5 Ų | 59.5 | 13% | 0.134 | 31% | 0.312 | C | S | . | . | trans | -124.3 | 72.3 | -179.4 | -173 | 15.9 | 0 | 0 | 0 | 113.6 | I81 K87 Q88 S89 F90 L119 | I81-D85 HydrophobicContact CG2-CB 4.13Å; D85-K87 VanDerWaalsContact C-N 3.25Å; D85-K87 PolarHBondContact O-N 2.89Å; D85-Q88 PolarHBondContact O-N 3.45Å; D85-Q88 WeakPolarHBondContact OD1-CA 3.33Å; D85-Q88 PolarHBondContact OD1-N 3.05Å; D85-Q88 WeakPolarHBondContact OD2-CA 3.35Å; D85-S89 VanDerWaalsContact CG-N 3.3Å; D85-S89 PolarHBondContact OD1-N 2.96Å; D85-S89 PolarHBondContact OD2-N 2.77Å; D85-F90 HydrophobicContact CB-CD2 4.17Å; D85-F90 PolarHBondContact OD2-N 3.37Å; D85-L119 HydrophobicContact CB-CD2 3.96Å | ||
| 86 | P | 95 | Very high | 96.3 | Very high | 125 Ų | 125 | 62.3 Ų | 62.3 | 81% | 0.812 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -22.6 | -179.8 | 28.5 | -35.4 | 0 | 0 | 0 | 113.6 | G84 | G84-P86 WeakPolarHBondContact O-CD 3.39Š|
| 87 | K | 94.9 | Very high | 96 | Very high | 128 Ų | 128 | 64.6 Ų | 64.6 | 56% | 0.557 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -4.7 | -178.4 | -68.5 | -177.7 | -177.7 | 176.1 | 0 | 112.7 | D85 S89 K107 | D85-K87 VanDerWaalsContact C-N 3.25Å; D85-K87 PolarHBondContact O-N 2.89Å; K87-S89 VanDerWaalsContact C-N 3.32Å; K87-S89 WeakPolarHBondContact CB-OG 3.24Å; K87-K107 PolarHBondContact O-NZ 2.64Å |
| 88 | Q | 96.1 | Very high | 95.7 | Very high | 142 Ų | 142 | 67.5 Ų | 67.5 | 66% | 0.664 | 37% | 0.373 | S | S | * | . | trans | 52.7 | 51.8 | -173.2 | -57.7 | -178.9 | -54.4 | 0 | 0 | 110.9 | D85 K107 | D85-Q88 PolarHBondContact O-N 3.45Å; D85-Q88 WeakPolarHBondContact OD1-CA 3.33Å; D85-Q88 PolarHBondContact OD1-N 3.05Å; D85-Q88 WeakPolarHBondContact OD2-CA 3.35Å; Q88-K107 WeakPolarHBondContact O-CD 3.47Å; Q88-K107 WeakPolarHBondContact O-CE 3.25Å; Q88-K107 PolarHBondContact O-NZ 2.83Å | ||
| 89 | S | 97.2 | Very high | 95.6 | Very high | 8 Ų | 8 | 64 Ų | 64 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | trans | -92.5 | -15.6 | -179.6 | -44.4 | 0 | 0 | 0 | 0 | 112.3 | D85 K87 V106 K107 | D85-S89 VanDerWaalsContact CG-N 3.3Å; D85-S89 PolarHBondContact OD1-N 2.96Å; D85-S89 PolarHBondContact OD2-N 2.77Å; K87-S89 VanDerWaalsContact C-N 3.32Å; K87-S89 WeakPolarHBondContact CB-OG 3.24Å; S89-V106 VanDerWaalsContact O-CG2 3.26Å; S89-V106 WeakPolarHBondContact O-CG2 3.29Å; S89-V106 PolarHBondContact O-N 3Å; S89-K107 PolarHBondContact O-N 3.08Å | ||
| 90 | F | 98 | Very high | 95.5 | Very high | 10 Ų | 10 | 65.1 Ų | 65.1 | 4% | 0.044 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 151.2 | -179.2 | -58.8 | -87.6 | 0 | 0 | 0 | 111.4 | I81 D85 L103 S104 V105 L109 H117 L119 V145 | I81-F90 HydrophobicContact CD1-CB 3.8Å; D85-F90 HydrophobicContact CB-CD2 4.17Å; D85-F90 PolarHBondContact OD2-N 3.37Å; F90-L103 HydrophobicContact CB-CD1 4.15Å; F90-S104 CarbonylContact C-O 3.53Å; F90-S104 VanDerWaalsContact CA-O 3.26Å; F90-S104 WeakPolarHBondContact CA-O 3.36Å; F90-V105 HydrophobicContact CD1-CG2 3.94Å; F90-V105 HydrophobicContact CE1-CG2 3.72Å; F90-L109 HydrophobicContact CE1-CD1 3.93Å; F90-L109 HydrophobicContact CE2-CD2 4.11Å; F90-L109 HydrophobicContact CZ-CD1 3.6Å; F90-L109 HydrophobicContact CZ-CD2 3.87Å; F90-L109 HydrophobicContact CZ-CG 4.37Å; F90-H117 HydrophobicContact CE2-CB 4.18Å; F90-H117 AromaticContact CE2-CG 3.88Å; F90-H117 AromaticContact CE2-ND1 3.87Å; F90-H117 HydrophobicContact CZ-CB 4.06Å; F90-H117 AromaticContact CZ-CD2 3.95Å; F90-H117 AromaticContact CZ-CG 3.83Å; F90-L119 HydrophobicContact CB-CD1 4.15Å; F90-L119 HydrophobicContact CD1-CD1 3.91Å; F90-L119 HydrophobicContact CD2-CD1 3.9Å; F90-L119 HydrophobicContact CD2-CD2 3.98Å; F90-L119 HydrophobicContact CE1-CD1 4.25Å; F90-L119 HydrophobicContact CE2-CD1 4.26Å; F90-L119 HydrophobicContact CE2-CD2 4.17Å; F90-L119 HydrophobicContact CG-CD1 3.71Å; F90-L119 HydrophobicContact CZ-CD1 4.42Å; F90-V145 HydrophobicContact CE1-CB 4.44Å; F90-V145 HydrophobicContact CE1-CG1 4.23Å; F90-V145 HydrophobicContact CE1-CG2 4.05Å; F90-V145 HydrophobicContact CZ-CB 4.47Å; F90-V145 HydrophobicContact CZ-CG1 4.46Å; F90-V145 HydrophobicContact CZ-CG2 4.39Å |
| 91 | E | 97.8 | Very high | 95.5 | Very high | 84 Ų | 84 | 62.8 Ų | 62.8 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 140.1 | 173.1 | -174.2 | -179.2 | 174 | 0 | 0 | 109 | Q93 S104 V106 | E91-Q93 VanDerWaalsContact CD-NE2 3.35Å; E91-Q93 HydrophobicContact CG-CG 4.34Å; E91-Q93 PolarHBondContact OE1-NE2 2.91Å; E91-S104 PolarHBondContact N-O 3.49Å; E91-S104 PolarHBondContact O-N 2.93Å; E91-S104 PolarHBondContact O-OG 3.01Å; E91-V106 HydrophobicContact CB-CG1 3.62Å; E91-V106 HydrophobicContact CB-CG2 4.35Å; E91-V106 WeakPolarHBondContact OE2-CG1 3.2Å |
| 92 | V | 97.8 | Very high | 95.5 | Very high | 21 Ų | 21 | 62.7 Ų | 62.7 | 13% | 0.127 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.4 | 174.8 | 64 | 0 | 0 | 0 | 0 | 109.4 | L62 Y79 I81 M102 L103 | L62-V92 HydrophobicContact CD1-CG2 4.22Å; Y79-V92 VanDerWaalsContact CB-CG2 3.45Å; Y79-V92 HydrophobicContact CD1-CG2 4.5Å; Y79-V92 HydrophobicContact CG-CG2 3.95Å; I81-V92 HydrophobicContact CG1-CG1 4.13Å; V92-M102 WeakPolarHBondContact CA-O 3.33Å; V92-L103 HydrophobicContact CB-CD1 4.24Å |
| 93 | Q | 96.1 | Very high | 95.5 | Very high | 96 Ų | 96 | 58.7 Ų | 58.7 | 45% | 0.449 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.2 | 178.1 | -66 | -178.4 | 11.2 | 0 | 0 | 110 | E91 M102 | E91-Q93 VanDerWaalsContact CD-NE2 3.35Å; E91-Q93 HydrophobicContact CG-CG 4.34Å; E91-Q93 PolarHBondContact OE1-NE2 2.91Å; Q93-M102 HydrophobicContact CB-CE 4.44Å; Q93-M102 PolarHBondContact N-O 2.84Å; Q93-M102 VanDerWaalsContact N-O 3.07Å; Q93-M102 PolarHBondContact O-N 3.04Å |
| 94 | T | 96.3 | Very high | 95.5 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 128.3 | 173.2 | -50.9 | 0 | 0 | 0 | 0 | 109.8 | A77 Y79 P96 | A77-T94 WeakPolarHBondContact O-CB 3.34Å; A77-T94 VanDerWaalsContact O-CG2 3.22Å; A77-T94 WeakPolarHBondContact O-CG2 3.2Å; A77-T94 PolarHBondContact O-OG1 3.08Å; Y79-T94 WeakPolarHBondContact CD2-OG1 3.43Å; Y79-T94 HydrophobicContact CE2-CG2 4.13Å; T94-P96 WeakPolarHBondContact O-CD 3.3Å |
| 95 | N | 94.5 | Very high | 95.6 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | trans | -76.4 | 118.7 | 169.4 | -179.3 | -14.6 | 0 | 0 | 0 | 109.4 | D97 N98 N99 E100 M102 | N95-D97 PolarHBondContact O-N 2.89Å; N95-D97 PolarHBondContact OD1-N 2.7Å; N95-N98 WeakPolarHBondContact CB-OD1 3.17Å; N95-N98 PolarHBondContact ND2-OD1 2.84Å; N95-N98 VanDerWaalsContact ND2-OD1 3.15Å; N95-N99 VanDerWaalsContact O-CA 3.3Å; N95-N99 WeakPolarHBondContact O-CA 3.12Å; N95-N99 PolarHBondContact O-N 3.47Å; N95-E100 WeakPolarHBondContact CB-O 3.41Å; N95-E100 PolarHBondContact N-O 3.09Å; N95-M102 HydrophobicContact CB-CE 4.25Å; N95-M102 HydrophobicContact CB-CG 4.14Å; N95-M102 HydrophobicContact CB-SD 4.13Å | ||
| 96 | P | 89 | Confident | 95.7 | Very high | 115 Ų | 115 | 56.1 Ų | 56.1 | 75% | 0.747 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.8 | -176 | 28.8 | -36.4 | 0 | 0 | 0 | 113.9 | T94 | T94-P96 WeakPolarHBondContact O-CD 3.3Š|
| 97 | D | 88.8 | Confident | 95.7 | Very high | 150 Ų | 150 | 54.7 Ų | 54.7 | 80% | 0.802 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -31.7 | -175.1 | -64.6 | -32.8 | 0 | 0 | 0 | 112.9 | N95 | N95-D97 PolarHBondContact O-N 2.89Å; N95-D97 PolarHBondContact OD1-N 2.7Å |
| 98 | N | 91.3 | Very high | 95.7 | Very high | 61 Ų | 61 | 51.4 Ų | 51.4 | 33% | 0.326 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.4 | 3.6 | -172.2 | 69.9 | -0.2 | 0 | 0 | 0 | 114.6 | N95 E100 | N95-N98 WeakPolarHBondContact CB-OD1 3.17Å; N95-N98 PolarHBondContact ND2-OD1 2.84Å; N95-N98 VanDerWaalsContact ND2-OD1 3.15Å; N98-E100 HydrophobicContact CB-CG 4.46Å; N98-E100 WeakPolarHBondContact ND2-CG 3.41Å; N98-E100 PolarHBondContact ND2-OE1 2.89Å; N98-E100 PolarHBondContact ND2-OE2 2.79Å; N98-E100 PolarHBondContact O-N 2.89Å; N98-E100 VanDerWaalsContact O-N 3.13Å; N98-E100 WeakPolarHBondContact OD1-CB 3.28Å; N98-E100 PolarHBondContact OD1-N 3.06Å; N98-E100 VanDerWaalsContact OD1-N 3.1Å |
| 99 | N | 94.2 | Very high | 95.6 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | trans | 64.4 | 8.7 | 178.9 | -151.5 | 36.6 | 0 | 0 | 0 | 115.4 | W75 A77 Y79 N95 | W75-N99 HydrophobicContact CE3-CB 4.21Å; W75-N99 HydrophobicContact CH2-CB 3.35Å; W75-N99 HydrophobicContact CZ2-CB 3.77Å; W75-N99 HydrophobicContact CZ3-CB 3.58Å; W75-N99 PolarHBondContact O-ND2 3.04Å; A77-N99 WeakPolarHBondContact CB-OD1 3.28Å; A77-N99 PolarHBondContact N-OD1 3.46Å; Y79-N99 PolarHBondContact OH-O 2.87Å; N95-N99 VanDerWaalsContact O-CA 3.3Å; N95-N99 WeakPolarHBondContact O-CA 3.12Å; N95-N99 PolarHBondContact O-N 3.47Å | ||
| 100 | E | 96.2 | Very high | 95.5 | Very high | 44 Ų | 44 | 47.7 Ų | 47.7 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | trans | -73.1 | 146.8 | 177 | -66.2 | 176.8 | 179.9 | 0 | 0 | 111.3 | N61 L62 T63 N95 N98 M102 | N61-E100 HydrophobicContact CB-CB 4.45Å; N61-E100 WeakPolarHBondContact CB-OE2 3.36Å; N61-E100 PolarHBondContact ND2-OE2 2.86Å; L62-E100 CarbonylContact O-C 3.54Å; L62-E100 WeakPolarHBondContact O-CA 3.33Å; T63-E100 HydrophobicContact CG2-CG 3.96Å; N95-E100 WeakPolarHBondContact CB-O 3.41Å; N95-E100 PolarHBondContact N-O 3.09Å; N98-E100 HydrophobicContact CB-CG 4.46Å; N98-E100 WeakPolarHBondContact ND2-CG 3.41Å; N98-E100 PolarHBondContact ND2-OE1 2.89Å; N98-E100 PolarHBondContact ND2-OE2 2.79Å; N98-E100 PolarHBondContact O-N 2.89Å; N98-E100 VanDerWaalsContact O-N 3.13Å; N98-E100 WeakPolarHBondContact OD1-CB 3.28Å; N98-E100 PolarHBondContact OD1-N 3.06Å; N98-E100 VanDerWaalsContact OD1-N 3.1Å; E100-M102 PolarHBondContact O-N 3.12Å | ||
| 101 | G | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 109.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | N61 L62 Y79 L103 | N61-G101 CarbonylContact C-O 3.56Å; N61-G101 WeakPolarHBondContact CA-O 2.93Å; L62-G101 WeakPolarHBondContact CB-O 3.22Å; L62-G101 WeakPolarHBondContact CG-O 3.19Å; L62-G101 PolarHBondContact N-O 3.14Å; L62-G101 PolarHBondContact O-N 3.18Å; Y79-G101 VanDerWaalsContact CE2-N 3.32Å; Y79-G101 PolarHBondContact OH-N 2.95Å; G101-L103 PolarHBondContact O-N 2.9Å |
| 102 | M | 97.7 | Very high | 95.1 | Very high | 47 Ų | 47 | 48 Ų | 48 | 23% | 0.232 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 100.4 | 173.2 | -62.6 | -176.1 | -58.9 | 0 | 0 | 109.3 | V58 V92 Q93 N95 E100 | V58-M102 HydrophobicContact CG1-CB 4.1Å; V58-M102 HydrophobicContact CG2-CB 4.17Å; V58-M102 HydrophobicContact CG2-SD 4.46Å; V92-M102 WeakPolarHBondContact CA-O 3.33Å; Q93-M102 HydrophobicContact CB-CE 4.44Å; Q93-M102 PolarHBondContact N-O 2.84Å; Q93-M102 VanDerWaalsContact N-O 3.07Å; Q93-M102 PolarHBondContact O-N 3.04Å; N95-M102 HydrophobicContact CB-CE 4.25Å; N95-M102 HydrophobicContact CB-CG 4.14Å; N95-M102 HydrophobicContact CB-SD 4.13Å; E100-M102 PolarHBondContact O-N 3.12Å |
| 103 | L | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 128.7 | 171 | -178.5 | 69.3 | 0 | 0 | 0 | 109 | V58 V59 V60 I81 F90 V92 G101 L119 V143 V145 | V58-L103 CarbonylContact C-O 3.56Å; V58-L103 WeakPolarHBondContact CA-O 3.31Å; V59-L103 HydrophobicContact CG2-CB 4.32Å; V59-L103 HydrophobicContact CG2-CD2 4.04Å; V59-L103 HydrophobicContact CG2-CG 3.97Å; V59-L103 VanDerWaalsContact CG2-O 3.32Å; V59-L103 WeakPolarHBondContact CG2-O 2.99Å; V59-L103 PolarHBondContact N-O 2.91Å; V60-L103 HydrophobicContact CG1-CB 3.93Å; V60-L103 HydrophobicContact CG1-CD2 3.93Å; V60-L103 PolarHBondContact N-O 2.73Å; V60-L103 PolarHBondContact O-N 3.22Å; I81-L103 HydrophobicContact CD1-CD1 4.31Å; F90-L103 HydrophobicContact CB-CD1 4.15Å; V92-L103 HydrophobicContact CB-CD1 4.24Å; G101-L103 PolarHBondContact O-N 2.9Å; L103-L119 HydrophobicContact CD1-CD1 4.19Å; L103-L119 HydrophobicContact CD2-CD1 3.85Å; L103-V143 HydrophobicContact CD2-CB 4.31Å; L103-V143 HydrophobicContact CD2-CG1 3.77Å; L103-V143 HydrophobicContact CD2-CG2 4.44Å; L103-V145 HydrophobicContact CD2-CG2 4.42Å |
| 104 | S | 97.7 | Very high | 94.7 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 151.9 | -175.3 | 65.7 | 0 | 0 | 0 | 0 | 112.7 | G57 F90 E91 | G57-S104 CarbonylContact O-C 3.58Å; G57-S104 WeakPolarHBondContact O-CA 3.28Å; G57-S104 WeakPolarHBondContact O-CB 3.44Å; F90-S104 CarbonylContact C-O 3.53Å; F90-S104 VanDerWaalsContact CA-O 3.26Å; F90-S104 WeakPolarHBondContact CA-O 3.36Å; E91-S104 PolarHBondContact N-O 3.49Å; E91-S104 PolarHBondContact O-N 2.93Å; E91-S104 PolarHBondContact O-OG 3.01Å |
| 105 | V | 97.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117 | 171.4 | 176.2 | 0 | 0 | 0 | 0 | 108.5 | V51 S55 R56 G57 V59 F90 K107 L109 | V51-V105 HydrophobicContact CG2-CG2 4.41Å; S55-V105 WeakPolarHBondContact O-CG1 3.21Å; R56-V105 WeakPolarHBondContact CA-O 3.41Å; G57-V105 PolarHBondContact N-O 2.81Å; G57-V105 VanDerWaalsContact N-O 3.09Å; G57-V105 PolarHBondContact O-N 2.85Å; V59-V105 HydrophobicContact CG1-CG2 3.63Å; F90-V105 HydrophobicContact CD1-CG2 3.94Å; F90-V105 HydrophobicContact CE1-CG2 3.72Å; V105-K107 WeakPolarHBondContact CG1-O 3.37Å; V105-L109 HydrophobicContact CG1-CG 4.03Å; V105-L109 HydrophobicContact CG2-CD1 4.09Å; V105-L109 HydrophobicContact CG2-CG 4.48Å |
| 106 | V | 97.1 | Very high | 94.7 | Very high | 54 Ų | 54 | 53.1 Ų | 53.1 | 33% | 0.327 | 29% | 0.285 | S | S | . | . | trans | -102.4 | -28.9 | -179.5 | -67 | 0 | 0 | 0 | 0 | 112.7 | R56 S89 E91 | R56-V106 PolarHBondContact NE-O 3.14Å; S89-V106 VanDerWaalsContact O-CG2 3.26Å; S89-V106 WeakPolarHBondContact O-CG2 3.29Å; S89-V106 PolarHBondContact O-N 3Å; E91-V106 HydrophobicContact CB-CG1 3.62Å; E91-V106 HydrophobicContact CB-CG2 4.35Å; E91-V106 WeakPolarHBondContact OE2-CG1 3.2Å | ||
| 107 | K | 96.3 | Very high | 95.1 | Very high | 95 Ų | 95 | 49 Ų | 49 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -114.4 | 135.2 | 169.7 | -59.5 | 178.2 | -170.9 | 165 | 0 | 109.1 | K87 Q88 S89 V105 L109 | K87-K107 PolarHBondContact O-NZ 2.64Å; Q88-K107 WeakPolarHBondContact O-CD 3.47Å; Q88-K107 WeakPolarHBondContact O-CE 3.25Å; Q88-K107 PolarHBondContact O-NZ 2.83Å; S89-K107 PolarHBondContact O-N 3.08Å; V105-K107 WeakPolarHBondContact CG1-O 3.37Å; K107-L109 PolarHBondContact O-N 3.15Å |
| 108 | P | 94.1 | Very high | 95.6 | Very high | 60 Ų | 60 | 45.8 Ų | 45.8 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | trans | -52.9 | 134.4 | 178.5 | -24.7 | 35 | 0 | 0 | 0 | 110.9 | ||||
| 109 | L | 95.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | trans | -85.4 | 157.4 | 168.6 | -52.4 | 179.5 | 0 | 0 | 0 | 108.6 | V51 E53 G54 F90 V105 K107 V147 | V51-L109 HydrophobicContact CG1-CD1 3.82Å; E53-L109 WeakPolarHBondContact CB-O 3.21Å; G54-L109 PolarHBondContact N-O 2.98Å; F90-L109 HydrophobicContact CE1-CD1 3.93Å; F90-L109 HydrophobicContact CE2-CD2 4.11Å; F90-L109 HydrophobicContact CZ-CD1 3.6Å; F90-L109 HydrophobicContact CZ-CD2 3.87Å; F90-L109 HydrophobicContact CZ-CG 4.37Å; V105-L109 HydrophobicContact CG1-CG 4.03Å; V105-L109 HydrophobicContact CG2-CD1 4.09Å; V105-L109 HydrophobicContact CG2-CG 4.48Å; K107-L109 PolarHBondContact O-N 3.15Å; L109-V147 HydrophobicContact CB-CG1 4.36Å; L109-V147 HydrophobicContact CB-CG2 4.05Å; L109-V147 HydrophobicContact CD1-CG2 3.79Å | ||
| 110 | D | 94.2 | Very high | 96.1 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 31% | 0.31 | 24% | 0.24 | S | C | . | . | trans | -134.4 | 115.6 | -174.1 | 176.2 | 90.1 | 0 | 0 | 0 | 106.5 | E112 T113 T114 | D110-E112 VanDerWaalsContact C-N 3.35Å; D110-T113 PolarHBondContact O-N 2.82Å; D110-T113 WeakPolarHBondContact OD2-CB 3.22Å; D110-T113 PolarHBondContact OD2-N 3.31Å; D110-T113 PolarHBondContact OD2-OG1 2.92Å; D110-T114 PolarHBondContact O-N 3.19Å | ||
| 111 | Y | 94.5 | Very high | 96.2 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -43.3 | -171.7 | 176 | -95.7 | 0 | 0 | 0 | 110.9 | E53 T113 T114 A115 V147 D149 L186 | E53-Y111 VanDerWaalsContact OE2-CB 3.32Å; E53-Y111 WeakPolarHBondContact OE2-CB 3.35Å; E53-Y111 PolarHBondContact OE2-N 3.37Å; Y111-T113 VanDerWaalsContact C-N 3.26Å; Y111-T113 PolarHBondContact O-N 2.91Å; Y111-T114 CarbonylContact O-C 3.3Å; Y111-T114 PolarHBondContact O-N 3.26Å; Y111-A115 HydrophobicContact CD2-CB 3.64Å; Y111-A115 HydrophobicContact CE2-CB 3.4Å; Y111-A115 HydrophobicContact CG-CB 4.43Å; Y111-A115 PolarHBondContact O-N 3.31Å; Y111-V147 HydrophobicContact CD2-CB 4.25Å; Y111-V147 HydrophobicContact CD2-CG1 4.34Å; Y111-V147 WeakPolarHBondContact CD2-O 3.48Å; Y111-V147 WeakPolarHBondContact CE2-O 3.49Å; Y111-D149 HydrophobicContact CD1-CB 3.69Å; Y111-D149 HydrophobicContact CD2-CB 3.91Å; Y111-D149 HydrophobicContact CE1-CB 3.83Å; Y111-D149 HydrophobicContact CE2-CB 4.05Å; Y111-D149 HydrophobicContact CG-CB 3.74Å; Y111-L186 HydrophobicContact CE1-CD1 3.76Å; Y111-L186 HydrophobicContact CE1-CG 4.03Å; Y111-L186 WeakPolarHBondContact OH-CD1 3.27Å |
| 112 | E | 92.4 | Very high | 96.2 | Very high | 50 Ų | 50 | 47.3 Ų | 47.3 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -37.5 | 179.9 | -78.4 | 50 | -119.3 | 0 | 0 | 111.8 | D110 P183 V185 | D110-E112 VanDerWaalsContact C-N 3.35Å; E112-P183 HydrophobicContact CG-CB 4.49Å; E112-P183 WeakPolarHBondContact CG-O 3.35Å; E112-V185 HydrophobicContact CG-CG2 4.13Å |
| 113 | T | 92.2 | Very high | 96.2 | Very high | 84 Ų | 84 | 45 Ų | 45 | 52% | 0.515 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -49.2 | 176.4 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | D110 Y111 | D110-T113 PolarHBondContact O-N 2.82Å; D110-T113 WeakPolarHBondContact OD2-CB 3.22Å; D110-T113 PolarHBondContact OD2-N 3.31Å; D110-T113 PolarHBondContact OD2-OG1 2.92Å; Y111-T113 VanDerWaalsContact C-N 3.26Å; Y111-T113 PolarHBondContact O-N 2.91Å |
| 114 | T | 93.6 | Very high | 96.2 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 33% | 0.325 | 25% | 0.248 | S | C | . | . | trans | -155.3 | 97.2 | -175.6 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | D110 Y111 F116 H117 | D110-T114 PolarHBondContact O-N 3.19Å; Y111-T114 CarbonylContact O-C 3.3Å; Y111-T114 PolarHBondContact O-N 3.26Å; T114-F116 VanDerWaalsContact C-N 3.35Å; T114-F116 WeakPolarHBondContact CG2-O 3.4Å; T114-F116 PolarHBondContact O-N 2.87Å; T114-H117 PolarHBondContact O-NE2 3.49Å | ||
| 115 | A | 95.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 13% | 0.132 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -71 | -22.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y111 V147 | Y111-A115 HydrophobicContact CD2-CB 3.64Å; Y111-A115 HydrophobicContact CE2-CB 3.4Å; Y111-A115 HydrophobicContact CG-CB 4.43Å; Y111-A115 PolarHBondContact O-N 3.31Å; A115-V147 PolarHBondContact O-N 2.74Å |
| 116 | F | 96.3 | Very high | 95.9 | Very high | 142 Ų | 142 | 52 Ų | 52 | 62% | 0.623 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 124 | -174.2 | -59.5 | -78.5 | 0 | 0 | 0 | 111.6 | T114 T146 | T114-F116 VanDerWaalsContact C-N 3.35Å; T114-F116 WeakPolarHBondContact CG2-O 3.4Å; T114-F116 PolarHBondContact O-N 2.87Å; F116-T146 HydrophobicContact CD1-CG2 4.24Å; F116-T146 HydrophobicContact CE1-CG2 3.8Å |
| 117 | H | 97.3 | Very high | 95.8 | Very high | 29 Ų | 29 | 53 Ų | 53 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 136.2 | 173 | -60.5 | -90.7 | 0 | 0 | 0 | 110.9 | F90 T114 H144 V145 | F90-H117 HydrophobicContact CE2-CB 4.18Å; F90-H117 AromaticContact CE2-CG 3.88Å; F90-H117 AromaticContact CE2-ND1 3.87Å; F90-H117 HydrophobicContact CZ-CB 4.06Å; F90-H117 AromaticContact CZ-CD2 3.95Å; F90-H117 AromaticContact CZ-CG 3.83Å; T114-H117 PolarHBondContact O-NE2 3.49Å; H117-H144 WeakPolarHBondContact O-CA 3.27Å; H117-V145 HydrophobicContact CB-CB 4.2Å; H117-V145 PolarHBondContact N-O 3.15Å; H117-V145 PolarHBondContact O-N 2.87Å |
| 118 | T | 98.1 | Very high | 95.7 | Very high | 82 Ų | 82 | 54 Ų | 54 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 105.1 | 174.4 | -55.6 | 0 | 0 | 0 | 0 | 108.1 | G84 T142 | G84-T118 VanDerWaalsContact CA-O 3.23Å; G84-T118 WeakPolarHBondContact CA-O 3.25Å; T118-T142 HydrophobicContact CG2-CG2 3.71Å |
| 119 | L | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 140.6 | -178.9 | -52.3 | 178.1 | 0 | 0 | 0 | 109.7 | G84 D85 F90 L103 I121 T142 V143 V145 | G84-L119 VanDerWaalsContact C-CD2 3.46Å; G84-L119 WeakPolarHBondContact O-CD2 3.46Å; D85-L119 HydrophobicContact CB-CD2 3.96Å; F90-L119 HydrophobicContact CB-CD1 4.15Å; F90-L119 HydrophobicContact CD1-CD1 3.91Å; F90-L119 HydrophobicContact CD2-CD1 3.9Å; F90-L119 HydrophobicContact CD2-CD2 3.98Å; F90-L119 HydrophobicContact CE1-CD1 4.25Å; F90-L119 HydrophobicContact CE2-CD1 4.26Å; F90-L119 HydrophobicContact CE2-CD2 4.17Å; F90-L119 HydrophobicContact CG-CD1 3.71Å; F90-L119 HydrophobicContact CZ-CD1 4.42Å; L103-L119 HydrophobicContact CD1-CD1 4.19Å; L103-L119 HydrophobicContact CD2-CD1 3.85Å; L119-I121 HydrophobicContact CB-CD1 4.14Å; L119-T142 CarbonylContact O-C 3.53Å; L119-T142 WeakPolarHBondContact O-CA 3.21Å; L119-V143 HydrophobicContact CB-CB 4.31Å; L119-V143 PolarHBondContact N-O 3.33Å; L119-V143 PolarHBondContact O-N 3.12Å; L119-V145 HydrophobicContact CD1-CG2 4.3Å |
| 120 | L | 98.2 | Very high | 95.6 | Very high | 59 Ų | 59 | 54 Ų | 54 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118 | 170.1 | -171.9 | 66.6 | 0 | 0 | 0 | 108.3 | I82 S83 | I82-L120 HydrophobicContact CD1-CD2 3.5Å; I82-L120 HydrophobicContact CD1-CG 3.72Å; I82-L120 HydrophobicContact CG1-CB 4.01Å; I82-L120 HydrophobicContact CG1-CD2 3.86Å; I82-L120 HydrophobicContact CG1-CG 3.74Å; I82-L120 WeakPolarHBondContact CG1-O 3.17Å; I82-L120 PolarHBondContact N-O 2.84Å; S83-L120 PolarHBondContact N-O 3.49Å; S83-L120 PolarHBondContact O-N 3.46Å |
| 121 | I | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 138.3 | -177.5 | -48.5 | -60.6 | 0 | 0 | 0 | 108.8 | F42 L62 Y79 S80 I81 L119 T140 A141 V143 | F42-I121 HydrophobicContact CZ-CB 4.3Å; F42-I121 HydrophobicContact CZ-CG2 3.97Å; L62-I121 HydrophobicContact CD1-CB 4.25Å; L62-I121 HydrophobicContact CD1-CG1 4.02Å; L62-I121 HydrophobicContact CD1-CG2 3.8Å; Y79-I121 HydrophobicContact CD1-CG2 4.33Å; S80-I121 WeakPolarHBondContact O-CA 3.17Å; I81-I121 HydrophobicContact CB-CD1 4.13Å; I81-I121 HydrophobicContact CG1-CD1 3.51Å; I81-I121 HydrophobicContact CG2-CD1 4.28Å; L119-I121 HydrophobicContact CB-CD1 4.14Å; I121-T140 CarbonylContact O-C 3.57Å; I121-T140 WeakPolarHBondContact O-CA 3.46Å; I121-A141 PolarHBondContact N-O 2.83Å; I121-A141 PolarHBondContact O-N 3.21Å; I121-V143 HydrophobicContact CG1-CG2 3.65Å |
| 122 | R | 97.8 | Very high | 95.2 | Very high | 83 Ų | 83 | 62.6 Ų | 62.6 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 140.9 | 171.3 | -179 | 175.6 | 173.9 | 130.5 | -4.7 | 109.4 | Y79 S80 I82 E124 S139 T140 | Y79-R122 WeakPolarHBondContact CA-O 3.5Å; S80-R122 PolarHBondContact N-O 3.18Å; S80-R122 PolarHBondContact O-N 3.27Å; I82-R122 HydrophobicContact CD1-CB 4.11Å; I82-R122 HydrophobicContact CG1-CB 4.34Å; I82-R122 HydrophobicContact CG2-CB 3.8Å; R122-E124 HydrophobicContact CG-CG 4.27Å; R122-E124 IonicContact CZ-OE1 3.09Å; R122-E124 IonicContact NE-OE1 3.83Å; R122-E124 PolarHBondContact NE-OE1 3.12Å; R122-E124 IonicContact NH2-OE1 2.69Å; R122-E124 PolarHBondContact NH2-OE1 2.85Å; R122-S139 WeakPolarHBondContact CA-O 3.18Å; R122-T140 HydrophobicContact CB-CG2 4.22Å; R122-T140 HydrophobicContact CG-CG2 4.26Å |
| 123 | V | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138 | 170.1 | 64.1 | 0 | 0 | 0 | 0 | 109.8 | P40 F42 V64 A77 L78 Y79 S139 | P40-V123 HydrophobicContact CB-CG1 4.07Å; P40-V123 HydrophobicContact CB-CG2 3.97Å; P40-V123 HydrophobicContact CG-CB 4.45Å; P40-V123 HydrophobicContact CG-CG1 4.02Å; P40-V123 HydrophobicContact CG-CG2 3.85Å; F42-V123 HydrophobicContact CD2-CG1 3.99Å; F42-V123 HydrophobicContact CE2-CB 3.98Å; F42-V123 HydrophobicContact CE2-CG1 3.57Å; F42-V123 HydrophobicContact CZ-CB 3.84Å; F42-V123 HydrophobicContact CZ-CG1 3.89Å; V64-V123 HydrophobicContact CG1-CB 4.46Å; V64-V123 HydrophobicContact CG1-CG1 4.19Å; V64-V123 HydrophobicContact CG1-CG2 4.27Å; A77-V123 HydrophobicContact CB-CG2 3.69Å; L78-V123 WeakPolarHBondContact O-CA 3.36Å; Y79-V123 HydrophobicContact CD1-CB 4.01Å; Y79-V123 HydrophobicContact CD1-CG2 4.02Å; Y79-V123 HydrophobicContact CE1-CB 3.97Å; Y79-V123 HydrophobicContact CE1-CG2 3.74Å; V123-S139 PolarHBondContact N-O 2.83Å |
| 124 | E | 96.8 | Very high | 95 | Very high | 64 Ų | 64 | 61.4 Ų | 61.4 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 170.4 | 174.4 | -63.3 | -169.5 | 154 | 0 | 0 | 109.1 | A77 L78 R122 Y135 | A77-E124 CarbonylContact C-O 3.56Å; A77-E124 WeakPolarHBondContact CA-O 3.27Å; L78-E124 PolarHBondContact N-O 2.87Å; L78-E124 PolarHBondContact O-N 2.77Å; R122-E124 HydrophobicContact CG-CG 4.27Å; R122-E124 IonicContact CZ-OE1 3.09Å; R122-E124 IonicContact NE-OE1 3.83Å; R122-E124 PolarHBondContact NE-OE1 3.12Å; R122-E124 IonicContact NH2-OE1 2.69Å; R122-E124 PolarHBondContact NH2-OE1 2.85Å; E124-Y135 HydrophobicContact CB-CE1 3.99Å; E124-Y135 HydrophobicContact CB-CE2 4.29Å; E124-Y135 WeakPolarHBondContact CB-OH 3.34Å; E124-Y135 HydrophobicContact CG-CD1 4.44Å; E124-Y135 HydrophobicContact CG-CD2 4.36Å; E124-Y135 HydrophobicContact CG-CE1 4.04Å; E124-Y135 HydrophobicContact CG-CE2 3.91Å |
| 125 | N | 96.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 163.5 | 170.7 | -48.6 | 98.9 | 0 | 0 | 0 | 111.4 | N36 P40 D66 A74 R76 D127 Y135 | N36-N125 VanDerWaalsContact ND2-CB 3.33Å; N36-N125 WeakPolarHBondContact ND2-CB 3.14Å; N36-N125 VanDerWaalsContact ND2-CG 3.33Å; N36-N125 PolarHBondContact ND2-OD1 3.06Å; N36-N125 PolarHBondContact OD1-OD1 3.33Å; P40-N125 VanDerWaalsContact CD-CG 3.48Å; P40-N125 VanDerWaalsContact CD-ND2 3.29Å; P40-N125 WeakPolarHBondContact CD-ND2 3.39Å; P40-N125 WeakPolarHBondContact CD-OD1 3.34Å; P40-N125 WeakPolarHBondContact CG-ND2 3.49Å; D66-N125 PolarHBondContact OD2-ND2 2.83Å; A74-N125 WeakPolarHBondContact O-CB 3.45Å; A74-N125 PolarHBondContact O-ND2 2.76Å; R76-N125 CarbonylContact O-C 3.57Å; R76-N125 VanDerWaalsContact O-CA 3.25Å; R76-N125 WeakPolarHBondContact O-CA 3.38Å; N125-D127 VanDerWaalsContact C-N 3.35Å; N125-Y135 PolarHBondContact N-OH 2.94Å; N125-Y135 VanDerWaalsContact N-OH 3.13Å |
| 126 | E | 95 | Very high | 94.7 | Very high | 93 Ų | 93 | 62.7 Ų | 62.7 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -63.3 | -42.7 | 169.6 | -69 | -176.5 | 161.9 | 0 | 0 | 111.7 | G73 R76 L78 | G73-E126 PolarHBondContact O-N 3.28Å; R76-E126 HydrophobicContact CB-CG 3.86Å; R76-E126 WeakPolarHBondContact CD-OE2 3.47Å; R76-E126 IonicContact CZ-OE2 2.89Å; R76-E126 IonicContact NH1-OE2 3.87Å; R76-E126 PolarHBondContact NH1-OE2 2.96Å; R76-E126 PolarHBondContact O-N 2.93Å; L78-E126 HydrophobicContact CD1-CB 4.44Å; L78-E126 HydrophobicContact CD1-CG 4.08Å; L78-E126 HydrophobicContact CD2-CG 4Å; L78-E126 HydrophobicContact CG-CG 3.92Å |
| 127 | D | 94.8 | Very high | 94.5 | Very high | 75 Ų | 75 | 61.3 Ų | 61.3 | 40% | 0.401 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -86.7 | 141.7 | 177.1 | -72.7 | -27.5 | 0 | 0 | 0 | 111 | N36 G73 A74 N125 | N36-D127 HydrophobicContact CB-CB 4.48Å; N36-D127 PolarHBondContact ND2-O 3.1Å; G73-D127 WeakPolarHBondContact CA-OD2 3.28Å; G73-D127 PolarHBondContact O-N 2.75Å; A74-D127 PolarHBondContact N-OD2 2.99Å; N125-D127 VanDerWaalsContact C-N 3.35Å |
| 128 | P | 93.9 | Very high | 94.4 | Very high | 114 Ų | 114 | 62.6 Ų | 62.6 | 74% | 0.74 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 138.7 | 178 | 28.3 | -34.2 | 0 | 0 | 0 | 111.7 | ||
| 129 | L | 93.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 148.5 | 171.3 | -74.2 | 167.3 | 0 | 0 | 0 | 111.7 | N36 A39 V133 Y135 | N36-L129 WeakPolarHBondContact OD1-CD2 3.28Å; A39-L129 HydrophobicContact CB-CD1 4.11Å; A39-L129 HydrophobicContact CB-CD2 4.04Å; L129-V133 HydrophobicContact CD1-CG1 4.48Å; L129-V133 HydrophobicContact CD2-CB 4.42Å; L129-V133 HydrophobicContact CD2-CG1 3.91Å; L129-Y135 HydrophobicContact CD1-CD1 3.76Å; L129-Y135 HydrophobicContact CD1-CD2 3.79Å; L129-Y135 HydrophobicContact CD1-CE1 3.58Å; L129-Y135 HydrophobicContact CD1-CE2 3.66Å; L129-Y135 HydrophobicContact CD1-CG 3.85Å; L129-Y135 HydrophobicContact CG-CE1 4.18Å; L129-Y135 HydrophobicContact CG-CE2 4.36Å |
| 130 | V | 94.1 | Very high | 94.3 | Very high | 45 Ų | 45 | 60.9 Ų | 60.9 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 150 | 170.2 | -65.4 | 0 | 0 | 0 | 0 | 111.3 | K35 N36 D37 D132 V133 | K35-V130 HydrophobicContact CB-CG1 4.3Å; N36-V130 PolarHBondContact O-N 3.4Å; D37-V130 HydrophobicContact CB-CG2 3.93Å; V130-D132 PolarHBondContact O-N 3.23Å; V130-V133 HydrophobicContact CG2-CB 3.99Å; V130-V133 HydrophobicContact CG2-CG2 3.61Å; V130-V133 PolarHBondContact O-N 2.84Å |
| 131 | P | 89.8 | Confident | 94.3 | Very high | 128 Ų | 128 | 58.1 Ų | 58.1 | 83% | 0.831 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.8 | -168.5 | -28.1 | 35.9 | 0 | 0 | 0 | 116.9 | ||
| 132 | D | 89.7 | Confident | 94.3 | Very high | 162 Ų | 162 | 60.2 Ų | 60.2 | 87% | 0.866 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -1.5 | -177 | -61.6 | -42 | 0 | 0 | 0 | 113.2 | V130 | V130-D132 PolarHBondContact O-N 3.23Š|
| 133 | V | 90.2 | Very high | 94.3 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 33% | 0.327 | 34% | 0.343 | S | S | . | . | trans | -118.1 | 139.4 | 179.1 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | L129 V130 | L129-V133 HydrophobicContact CD1-CG1 4.48Å; L129-V133 HydrophobicContact CD2-CB 4.42Å; L129-V133 HydrophobicContact CD2-CG1 3.91Å; V130-V133 HydrophobicContact CG2-CB 3.99Å; V130-V133 HydrophobicContact CG2-CG2 3.61Å; V130-V133 PolarHBondContact O-N 2.84Å | ||
| 134 | G | 89.7 | Confident | 94.3 | Very high | 54 Ų | 54 | 59.5 Ų | 59.5 | 56% | 0.557 | 36% | 0.358 | S | S | * | . | trans | -136.5 | 154.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G136 | G134-G136 PolarHBondContact O-N 3.46Š| ||
| 135 | Y | 92.7 | Very high | 94.4 | Very high | 63 Ų | 63 | 56.5 Ų | 56.5 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | trans | -61.3 | 119.4 | 174.2 | -62.7 | -69.6 | 0 | 0 | 0 | 110.6 | A39 P40 E124 N125 L129 | A39-Y135 HydrophobicContact CB-CD1 4.01Å; A39-Y135 HydrophobicContact CB-CE1 4.33Å; P40-Y135 HydrophobicContact CG-CE1 4.48Å; E124-Y135 HydrophobicContact CB-CE1 3.99Å; E124-Y135 HydrophobicContact CB-CE2 4.29Å; E124-Y135 WeakPolarHBondContact CB-OH 3.34Å; E124-Y135 HydrophobicContact CG-CD1 4.44Å; E124-Y135 HydrophobicContact CG-CD2 4.36Å; E124-Y135 HydrophobicContact CG-CE1 4.04Å; E124-Y135 HydrophobicContact CG-CE2 3.91Å; N125-Y135 PolarHBondContact N-OH 2.94Å; N125-Y135 VanDerWaalsContact N-OH 3.13Å; L129-Y135 HydrophobicContact CD1-CD1 3.76Å; L129-Y135 HydrophobicContact CD1-CD2 3.79Å; L129-Y135 HydrophobicContact CD1-CE1 3.58Å; L129-Y135 HydrophobicContact CD1-CE2 3.66Å; L129-Y135 HydrophobicContact CD1-CG 3.85Å; L129-Y135 HydrophobicContact CG-CE1 4.18Å; L129-Y135 HydrophobicContact CG-CE2 4.36Å | ||
| 136 | G | 90.7 | Very high | 94.5 | Very high | 33 Ų | 33 | 58 Ų | 58 | 34% | 0.34 | 35% | 0.353 | S | S | . | . | trans | -88.2 | -178.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G134 S138 S139 | G134-G136 PolarHBondContact O-N 3.46Å; G136-S138 PolarHBondContact O-N 3.5Å; G136-S139 WeakPolarHBondContact O-CB 3.44Å; G136-S139 PolarHBondContact O-N 2.87Å | ||
| 137 | P | 92.4 | Very high | 94.5 | Very high | 113 Ų | 113 | 53.7 Ų | 53.7 | 73% | 0.734 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -58.2 | -31.6 | 173.3 | -23.4 | 34.2 | 0 | 0 | 0 | 113 | S139 T140 | P137-S139 PolarHBondContact O-N 2.99Å; P137-T140 PolarHBondContact O-N 2.82Å; P137-T140 PolarHBondContact O-OG1 2.75Å |
| 138 | S | 94.4 | Very high | 94.5 | Very high | 57 Ų | 57 | 52.9 Ų | 52.9 | 40% | 0.399 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -67.9 | -15.7 | 176.5 | -57.1 | 0 | 0 | 0 | 0 | 113.9 | F42 G136 T140 | F42-S138 WeakPolarHBondContact CD2-O 3.31Å; F42-S138 PolarHBondContact N-O 2.94Å; G136-S138 PolarHBondContact O-N 3.5Å; S138-T140 PolarHBondContact O-N 2.46Å |
| 139 | S | 96.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -81.9 | 5.6 | 171.1 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | P40 R122 V123 G136 P137 | P40-S139 PolarHBondContact O-OG 2.79Å; R122-S139 WeakPolarHBondContact CA-O 3.18Å; V123-S139 PolarHBondContact N-O 2.83Å; G136-S139 WeakPolarHBondContact O-CB 3.44Å; G136-S139 PolarHBondContact O-N 2.87Å; P137-S139 PolarHBondContact O-N 2.99Å |
| 140 | T | 97.7 | Very high | 94.4 | Very high | 44 Ų | 44 | 52.3 Ų | 52.3 | 27% | 0.27 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 140.3 | 170.8 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | I82 I121 R122 P137 S138 | I82-T140 HydrophobicContact CD1-CG2 4.31Å; I121-T140 CarbonylContact O-C 3.57Å; I121-T140 WeakPolarHBondContact O-CA 3.46Å; R122-T140 HydrophobicContact CB-CG2 4.22Å; R122-T140 HydrophobicContact CG-CG2 4.26Å; P137-T140 PolarHBondContact O-N 2.82Å; P137-T140 PolarHBondContact O-OG1 2.75Å; S138-T140 PolarHBondContact O-N 2.46Å |
| 141 | A | 98.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 150.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | F42 F47 I121 | F42-A141 HydrophobicContact CB-CB 3.97Å; F42-A141 HydrophobicContact CD1-CB 3.95Å; F42-A141 HydrophobicContact CD2-CB 3.44Å; F42-A141 VanDerWaalsContact CD2-CB 3.44Å; F42-A141 HydrophobicContact CE1-CB 4.29Å; F42-A141 HydrophobicContact CE2-CB 3.82Å; F42-A141 HydrophobicContact CG-CB 3.51Å; F42-A141 HydrophobicContact CZ-CB 4.24Å; F47-A141 HydrophobicContact CD2-CB 4.03Å; F47-A141 HydrophobicContact CE2-CB 3.83Å; I121-A141 PolarHBondContact N-O 2.83Å; I121-A141 PolarHBondContact O-N 3.21Å |
| 142 | T | 98.4 | Very high | 94.4 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 26% | 0.264 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 137.8 | 174.3 | -58.8 | 0 | 0 | 0 | 0 | 109.5 | P45 L46 F47 T118 L119 | P45-T142 PolarHBondContact O-N 2.83Å; L46-T142 CarbonylContact C-O 3.47Å; L46-T142 WeakPolarHBondContact CA-O 3.23Å; L46-T142 HydrophobicContact CD1-CG2 4.15Å; F47-T142 PolarHBondContact N-O 2.91Å; T118-T142 HydrophobicContact CG2-CG2 3.71Å; L119-T142 CarbonylContact O-C 3.53Å; L119-T142 WeakPolarHBondContact O-CA 3.21Å |
| 143 | V | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.3 | 172.1 | -170.3 | 0 | 0 | 0 | 0 | 109.2 | F47 V60 L62 L103 L119 I121 V145 | F47-V143 HydrophobicContact CB-CG1 4.23Å; F47-V143 HydrophobicContact CB-CG2 4.22Å; F47-V143 CarbonylContact O-C 3.47Å; F47-V143 WeakPolarHBondContact O-CA 3.46Å; V60-V143 HydrophobicContact CG1-CG1 4.02Å; L62-V143 HydrophobicContact CD2-CG2 3.71Å; L103-V143 HydrophobicContact CD2-CB 4.31Å; L103-V143 HydrophobicContact CD2-CG1 3.77Å; L103-V143 HydrophobicContact CD2-CG2 4.44Å; L119-V143 HydrophobicContact CB-CB 4.31Å; L119-V143 PolarHBondContact N-O 3.33Å; L119-V143 PolarHBondContact O-N 3.12Å; I121-V143 HydrophobicContact CG1-CG2 3.65Å; V143-V145 HydrophobicContact CG1-CG2 4.12Å |
| 144 | H | 98.4 | Very high | 94.9 | Very high | 68 Ų | 68 | 39.5 Ų | 39.5 | 32% | 0.315 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 112.4 | 171.6 | -70.8 | 177.2 | 0 | 0 | 0 | 109.4 | L46 F47 E48 A49 H117 | L46-H144 HydrophobicContact CD1-CB 4.4Å; F47-H144 PolarHBondContact O-N 3.08Å; E48-H144 WeakPolarHBondContact CA-O 3.44Å; E48-H144 HydrophobicContact CG-CB 4.45Å; A49-H144 PolarHBondContact N-O 2.91Å; H117-H144 WeakPolarHBondContact O-CA 3.27Å |
| 145 | V | 98.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.1 | 173.7 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | A49 V51 F90 L103 H117 L119 V143 | A49-V145 HydrophobicContact CB-CG2 4.38Å; A49-V145 WeakPolarHBondContact O-CA 3.42Å; V51-V145 HydrophobicContact CG1-CG1 3.67Å; F90-V145 HydrophobicContact CE1-CB 4.44Å; F90-V145 HydrophobicContact CE1-CG1 4.23Å; F90-V145 HydrophobicContact CE1-CG2 4.05Å; F90-V145 HydrophobicContact CZ-CB 4.47Å; F90-V145 HydrophobicContact CZ-CG1 4.46Å; F90-V145 HydrophobicContact CZ-CG2 4.39Å; L103-V145 HydrophobicContact CD2-CG2 4.42Å; H117-V145 HydrophobicContact CB-CB 4.2Å; H117-V145 PolarHBondContact N-O 3.15Å; H117-V145 PolarHBondContact O-N 2.87Å; L119-V145 HydrophobicContact CD1-CG2 4.3Å; V143-V145 HydrophobicContact CG1-CG2 4.12Å |
| 146 | T | 97.6 | Very high | 95.4 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 24% | 0.239 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121 | 171 | -54.8 | 0 | 0 | 0 | 0 | 108.3 | A49 R50 V51 F116 | A49-T146 PolarHBondContact O-N 2.86Å; R50-T146 WeakPolarHBondContact CA-O 3.47Å; V51-T146 PolarHBondContact N-O 3.04Å; F116-T146 HydrophobicContact CD1-CG2 4.24Å; F116-T146 HydrophobicContact CE1-CG2 3.8Å |
| 147 | V | 96.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129.3 | 171.7 | -172 | 0 | 0 | 0 | 0 | 107.7 | V51 E53 L109 Y111 A115 | V51-V147 CarbonylContact O-C 3.52Å; V51-V147 VanDerWaalsContact O-CA 3.31Å; V51-V147 WeakPolarHBondContact O-CA 3.43Å; E53-V147 HydrophobicContact CB-CG1 3.7Å; L109-V147 HydrophobicContact CB-CG1 4.36Å; L109-V147 HydrophobicContact CB-CG2 4.05Å; L109-V147 HydrophobicContact CD1-CG2 3.79Å; Y111-V147 HydrophobicContact CD2-CB 4.25Å; Y111-V147 HydrophobicContact CD2-CG1 4.34Å; Y111-V147 WeakPolarHBondContact CD2-O 3.48Å; Y111-V147 WeakPolarHBondContact CE2-O 3.49Å; A115-V147 PolarHBondContact O-N 2.74Å |
| 148 | E | 94.3 | Very high | 96 | Very high | 58 Ų | 58 | 42 Ų | 42 | 27% | 0.271 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.8 | 175.4 | -64.1 | -170 | 157 | 0 | 0 | 109 | R50 V51 H52 E53 | R50-E148 HydrophobicContact CB-CG 4.4Å; R50-E148 WeakPolarHBondContact CD-OE1 3.24Å; R50-E148 IonicContact CZ-OE1 3.96Å; R50-E148 IonicContact NH1-OE1 2.99Å; R50-E148 PolarHBondContact NH1-OE1 2.88Å; V51-E148 PolarHBondContact O-N 3.34Å; H52-E148 WeakPolarHBondContact CA-O 3.32Å; H52-E148 IonicContact CE1-OE2 2.74Å; H52-E148 PolarHBondContact CE1-OE2 2.9Å; H52-E148 VanDerWaalsContact CE1-OE2 3.28Å; H52-E148 IonicContact ND1-OE2 2.88Å; H52-E148 IonicContact NE2-OE2 3.02Å; E53-E148 PolarHBondContact N-O 2.87Å; E53-E148 VanDerWaalsContact N-O 3.09Å |
| 149 | D | 92.1 | Very high | 96.1 | Very high | 54 Ų | 54 | 43.2 Ų | 43.2 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -56.1 | 130.1 | 177.2 | -174.7 | -12.7 | 0 | 0 | 0 | 111.2 | E53 Y111 | E53-D149 WeakPolarHBondContact OE1-CA 3.31Å; Y111-D149 HydrophobicContact CD1-CB 3.69Å; Y111-D149 HydrophobicContact CD2-CB 3.91Å; Y111-D149 HydrophobicContact CE1-CB 3.83Å; Y111-D149 HydrophobicContact CE2-CB 4.05Å; Y111-D149 HydrophobicContact CG-CB 3.74Å |
| 150 | I | 91.9 | Very high | 96.1 | Very high | 77 Ų | 77 | 46.1 Ų | 46.1 | 40% | 0.395 | 25% | 0.252 | S | S | . | . | trans | -127.1 | 125.8 | 170.1 | -65.9 | -172.2 | 0 | 0 | 0 | 108.2 | H52 E53 E152 | H52-I150 HydrophobicContact CB-CD1 3.51Å; H52-I150 HydrophobicContact CB-CG1 4.16Å; E53-I150 HydrophobicContact CG-CB 4.28Å; E53-I150 PolarHBondContact OE1-N 3.27Å; I150-E152 WeakPolarHBondContact O-CG 3.45Å; I150-E152 PolarHBondContact O-N 2.73Å; I150-E152 VanDerWaalsContact O-N 3.12Å | ||
| 151 | N | 92.6 | Very high | 96.2 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 17% | 0.166 | 25% | 0.246 | C | C | . | . | trans | -38.9 | 114.7 | 173.1 | -170.7 | 102.6 | 0 | 0 | 0 | 114.7 | D184 Q189 D238 G240 A244 | N151-D184 VanDerWaalsContact CA-OD2 3.28Å; N151-D184 WeakPolarHBondContact CA-OD2 3.17Å; N151-D184 PolarHBondContact OD1-OD2 3.37Å; N151-Q189 VanDerWaalsContact OD1-CD 3.26Å; N151-Q189 PolarHBondContact OD1-NE2 2.87Å; N151-Q189 PolarHBondContact OD1-OE1 2.87Å; N151-Q189 VanDerWaalsContact OD1-OE1 3.05Å; N151-D238 PolarHBondContact ND2-OD2 2.76Å; N151-D238 VanDerWaalsContact ND2-OD2 3.1Å; N151-G240 VanDerWaalsContact OD1-CA 3.22Å; N151-G240 WeakPolarHBondContact OD1-CA 3.4Å; N151-A244 VanDerWaalsContact ND2-CB 3.27Å; N151-A244 WeakPolarHBondContact ND2-CB 3.17Å | ||
| 152 | E | 92 | Very high | 96.2 | Very high | 67 Ų | 67 | 50 Ų | 50 | 31% | 0.313 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -95 | 162.8 | 174.5 | -62.4 | -160.8 | 104.9 | 0 | 0 | 112.3 | I150 P183 D184 | I150-E152 WeakPolarHBondContact O-CG 3.45Å; I150-E152 PolarHBondContact O-N 2.73Å; I150-E152 VanDerWaalsContact O-N 3.12Å; E152-P183 HydrophobicContact CB-CB 4.41Å; E152-P183 HydrophobicContact CB-CG 4.12Å; E152-P183 VanDerWaalsContact OE2-CB 3.32Å; E152-P183 WeakPolarHBondContact OE2-CB 3.36Å; E152-D184 WeakPolarHBondContact CB-OD1 3.28Å; E152-D184 PolarHBondContact N-OD1 3.27Å; E152-D184 PolarHBondContact N-OD2 3.03Å |
| 153 | G | 93.4 | Very high | 96.2 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 22% | 0.216 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -87.4 | 150.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | V155 | G153-V155 PolarHBondContact O-N 3.44Š|
| 154 | P | 95.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 133.8 | 176.1 | -25.5 | 32.4 | 0 | 0 | 0 | 113.3 | A180 I191 A236 D238 G246 | P154-A180 HydrophobicContact CB-CB 4.12Å; P154-I191 HydrophobicContact CB-CD1 4.06Å; P154-I191 HydrophobicContact CB-CG1 4.21Å; P154-I191 HydrophobicContact CB-CG2 4.19Å; P154-I191 HydrophobicContact CG-CD1 4.35Å; P154-I191 HydrophobicContact CG-CG1 3.98Å; P154-I191 HydrophobicContact CG-CG2 4.15Å; P154-A236 HydrophobicContact CB-CB 3.82Å; P154-A236 HydrophobicContact CG-CB 4.25Å; P154-D238 HydrophobicContact CG-CB 3.95Å; P154-G246 VanDerWaalsContact O-CA 3.24Å; P154-G246 WeakPolarHBondContact O-CA 3.37Å |
| 155 | V | 96.6 | Very high | 96.2 | Very high | 82 Ų | 82 | 52.2 Ų | 52.2 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 126.6 | -179 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | G153 A180 S181 P183 | G153-V155 PolarHBondContact O-N 3.44Å; V155-A180 CarbonylContact O-C 3.56Å; V155-A180 VanDerWaalsContact O-CA 3.22Å; V155-A180 WeakPolarHBondContact O-CA 3.48Å; V155-S181 PolarHBondContact N-O 2.78Å; V155-S181 PolarHBondContact O-N 3.12Å; V155-P183 HydrophobicContact CG2-CG 4.01Å |
| 156 | F | 97.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 137.7 | 176.4 | -74.8 | -98 | 0 | 0 | 0 | 111.8 | D159 L178 N179 A180 Y193 F234 A236 G246 | F156-D159 HydrophobicContact CB-CB 4.22Å; F156-L178 HydrophobicContact CD1-CB 4.47Å; F156-L178 HydrophobicContact CE1-CB 4.1Å; F156-L178 HydrophobicContact CE1-CD1 4.23Å; F156-N179 WeakPolarHBondContact CA-O 3.36Å; F156-A180 HydrophobicContact CD1-CB 4.11Å; F156-A180 HydrophobicContact CD2-CB 4.25Å; F156-A180 HydrophobicContact CE1-CB 4.22Å; F156-A180 HydrophobicContact CE2-CB 4.35Å; F156-A180 HydrophobicContact CG-CB 4.14Å; F156-A180 HydrophobicContact CZ-CB 4.35Å; F156-Y193 HydrophobicContact CE1-CD1 4.08Å; F156-Y193 AromaticContact CE1-CE1 3.96Å; F156-Y193 HydrophobicContact CE1-CE1 3.96Å; F156-Y193 HydrophobicContact CZ-CD1 4.21Å; F156-Y193 HydrophobicContact CZ-CE1 4.31Å; F156-F234 HydrophobicContact CE1-CB 4.5Å; F156-F234 HydrophobicContact CZ-CB 4.37Å; F156-A236 HydrophobicContact CD2-CB 4.46Å; F156-A236 HydrophobicContact CE1-CB 4.47Å; F156-A236 HydrophobicContact CE2-CB 3.46Å; F156-A236 VanDerWaalsContact CE2-CB 3.46Å; F156-A236 HydrophobicContact CZ-CB 3.48Å; F156-A236 VanDerWaalsContact CZ-CB 3.48Å; F156-G246 WeakPolarHBondContact CE2-O 3.17Å |
| 157 | F | 96.4 | Very high | 96 | Very high | 150 Ų | 150 | 53.9 Ų | 53.9 | 66% | 0.658 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -146.5 | 126.9 | 173.3 | -176.6 | -96.7 | 0 | 0 | 0 | 112.6 | N179 | F157-N179 PolarHBondContact N-O 2.97Å; F157-N179 PolarHBondContact O-ND2 2.73Å |
| 158 | P | 97.7 | Very high | 96 | Very high | 67 Ų | 67 | 57.3 Ų | 57.3 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | S | Bend | cis | -72.8 | 153.6 | -6.2 | 32.1 | -36 | 0 | 0 | 0 | 112.2 | L161 | P158-L161 HydrophobicContact CG-CD1 3.71Å; P158-L161 PolarHBondContact O-N 2.8Å |
| 159 | D | 96.9 | Very high | 96.1 | Very high | 83 Ų | 83 | 56 Ų | 56 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -133.4 | 118.1 | 172.6 | -172.4 | 44.4 | 0 | 0 | 0 | 110.5 | F156 T249 | F156-D159 HydrophobicContact CB-CB 4.22Å; D159-T249 WeakPolarHBondContact OD1-CB 3.49Å; D159-T249 PolarHBondContact OD1-N 2.81Å |
| 160 | P | 97.9 | Very high | 96.4 | Very high | 62 Ų | 62 | 57.9 Ų | 57.9 | 40% | 0.403 | 32% | 0.315 | S | S | . | . | S | Bend | cis | -71.4 | 145.2 | -1.5 | 31.2 | -35.5 | 0 | 0 | 0 | 112.5 | L162 T249 I251 | P160-L162 HydrophobicContact CB-CD2 4.39Å; P160-L162 HydrophobicContact CG-CD2 4.26Å; P160-T249 CarbonylContact C-O 3.55Å; P160-T249 WeakPolarHBondContact CA-O 3.49Å; P160-T249 HydrophobicContact CB-CG2 4.08Å; P160-I251 HydrophobicContact CB-CD1 3.92Å; P160-I251 HydrophobicContact CB-CG1 4.21Å; P160-I251 HydrophobicContact CG-CD1 4.16Å |
| 161 | L | 98.4 | Very high | 96.7 | Very high | 28 Ų | 28 | 58.2 Ų | 58.2 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 122.5 | 167.4 | 179 | 59.8 | 0 | 0 | 0 | 109.4 | P158 V163 A176 L178 T249 L250 I251 | P158-L161 HydrophobicContact CG-CD1 3.71Å; P158-L161 PolarHBondContact O-N 2.8Å; L161-V163 HydrophobicContact CG-CG1 4.35Å; L161-A176 HydrophobicContact CD2-CB 3.96Å; L161-L178 HydrophobicContact CD2-CD2 4.06Å; L161-T249 PolarHBondContact N-O 3.36Å; L161-L250 HydrophobicContact CB-CD1 4.1Å; L161-L250 HydrophobicContact CD2-CD1 3.98Å; L161-L250 HydrophobicContact CG-CD1 3.91Å; L161-I251 PolarHBondContact O-N 2.87Å |
| 162 | L | 98.4 | Very high | 96.9 | Very high | 100 Ų | 100 | 58.9 Ų | 58.9 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128 | 179.1 | -53.8 | -179.1 | 0 | 0 | 0 | 110.2 | P160 I251 | P160-L162 HydrophobicContact CB-CD2 4.39Å; P160-L162 HydrophobicContact CG-CD2 4.26Å; L162-I251 WeakPolarHBondContact CA-O 3.33Å; L162-I251 HydrophobicContact CD2-CB 3.62Å; L162-I251 HydrophobicContact CD2-CD1 3.86Å; L162-I251 HydrophobicContact CD2-CG1 4.11Å; L162-I251 HydrophobicContact CD2-CG2 4.17Å |
| 163 | V | 98.2 | Very high | 97.2 | Very high | 19 Ų | 19 | 57.3 Ų | 57.3 | 12% | 0.115 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.6 | 174.1 | -62 | 0 | 0 | 0 | 0 | 110.9 | L161 V175 A176 L250 I251 I252 H253 | L161-V163 HydrophobicContact CG-CG1 4.35Å; V163-V175 HydrophobicContact CG2-CG1 4.21Å; V163-A176 HydrophobicContact CG1-CB 3.92Å; V163-A176 HydrophobicContact CG2-CB 4.47Å; V163-L250 HydrophobicContact CG1-CD1 4.42Å; V163-L250 HydrophobicContact CG2-CD1 3.96Å; V163-I251 PolarHBondContact N-O 2.87Å; V163-I252 HydrophobicContact CG2-CB 4.29Å; V163-I252 HydrophobicContact CG2-CG1 3.93Å; V163-I252 HydrophobicContact CG2-CG2 4.24Å; V163-I252 CarbonylContact O-C 3.58Å; V163-I252 WeakPolarHBondContact O-CA 3.05Å; V163-H253 PolarHBondContact O-N 2.93Å |
| 164 | T | 98.4 | Very high | 97.4 | Very high | 64 Ų | 64 | 61.3 Ų | 61.3 | 39% | 0.393 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.5 | 175.2 | -55.8 | 0 | 0 | 0 | 0 | 110.2 | H253 E255 | T164-H253 CarbonylContact C-O 3.57Å; T164-H253 VanDerWaalsContact CA-O 3.27Å; T164-H253 WeakPolarHBondContact CA-O 3.41Å; T164-H253 HydrophobicContact CG2-CB 4.22Å; T164-E255 HydrophobicContact CG2-CG 3.52Å; T164-E255 VanDerWaalsContact CG2-OE1 3.31Å; T164-E255 WeakPolarHBondContact CG2-OE1 3.41Å |
| 165 | R | 98.1 | Very high | 97.5 | Very high | 75 Ų | 75 | 61.3 Ų | 61.3 | 28% | 0.283 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 142 | 179.3 | -64.1 | -65.3 | 170.5 | -108.4 | 3.4 | 110.2 | V175 L218 I252 H253 L254 E255 | R165-V175 HydrophobicContact CG-CG1 4.45Å; R165-V175 PolarHBondContact NE-O 3.01Å; R165-V175 PolarHBondContact NH2-O 3.41Å; R165-L218 HydrophobicContact CB-CD1 4.46Å; R165-I252 HydrophobicContact CB-CG2 4.18Å; R165-I252 HydrophobicContact CG-CG2 4.26Å; R165-H253 PolarHBondContact N-O 2.91Å; R165-L254 WeakPolarHBondContact O-CA 3.41Å; R165-E255 PolarHBondContact O-N 3.36Å |
| 166 | M | 96.6 | Very high | 97.6 | Very high | 70 Ų | 70 | 57.5 Ų | 57.5 | 35% | 0.345 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 142.8 | 166.1 | -73.4 | -70.1 | -117 | 0 | 0 | 109.4 | N168 V169 E255 | M166-N168 VanDerWaalsContact C-N 3.3Å; M166-N168 WeakPolarHBondContact CB-OD1 3.39Å; M166-N168 PolarHBondContact O-N 2.86Å; M166-V169 HydrophobicContact CB-CG1 4.37Å; M166-V169 VanDerWaalsContact O-CG1 3.3Å; M166-V169 WeakPolarHBondContact O-CG1 3.42Å; M166-V169 WeakPolarHBondContact O-CG2 3.44Å; M166-E255 HydrophobicContact CG-CB 4.25Å; M166-E255 HydrophobicContact SD-CB 3.31Å; M166-E255 WeakPolarHBondContact SD-CB 3.24Å; M166-E255 HydrophobicContact SD-CG 4.43Å |
| 167 | E | 96.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.019 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -29.7 | 179.3 | 68.8 | -167.8 | 122.7 | 0 | 0 | 113.5 | V169 L218 R220 E255 D256 Y257 | E167-V169 PolarHBondContact O-N 2.78Å; E167-L218 HydrophobicContact CB-CB 4.38Å; E167-R220 VanDerWaalsContact OE2-CB 3.24Å; E167-R220 WeakPolarHBondContact OE2-CB 3.22Å; E167-R220 PolarHBondContact OE2-N 2.75Å; E167-E255 PolarHBondContact N-O 3.37Å; E167-D256 WeakPolarHBondContact OE1-CA 3.39Å; E167-Y257 PolarHBondContact OE1-N 3.43Å |
| 168 | N | 95.4 | Very high | 97.6 | Very high | 74 Ų | 74 | 53.1 Ų | 53.1 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 11.4 | -178.9 | 78.8 | -26.5 | 0 | 0 | 0 | 114.7 | M166 Y257 | M166-N168 VanDerWaalsContact C-N 3.3Å; M166-N168 WeakPolarHBondContact CB-OD1 3.39Å; M166-N168 PolarHBondContact O-N 2.86Å; N168-Y257 HydrophobicContact CB-CD1 3.51Å; N168-Y257 HydrophobicContact CB-CD2 4.16Å; N168-Y257 HydrophobicContact CB-CE1 3.94Å; N168-Y257 HydrophobicContact CB-CG 3.63Å; N168-Y257 VanDerWaalsContact ND2-CD2 3.27Å; N168-Y257 WeakPolarHBondContact ND2-CD2 3.34Å; N168-Y257 WeakPolarHBondContact ND2-CE2 3.47Å |
| 169 | V | 96.9 | Very high | 97.6 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 136 | 176.3 | -70.1 | 0 | 0 | 0 | 0 | 110.2 | M166 E167 T214 L218 | M166-V169 HydrophobicContact CB-CG1 4.37Å; M166-V169 VanDerWaalsContact O-CG1 3.3Å; M166-V169 WeakPolarHBondContact O-CG1 3.42Å; M166-V169 WeakPolarHBondContact O-CG2 3.44Å; E167-V169 PolarHBondContact O-N 2.78Å; V169-T214 HydrophobicContact CG2-CG2 4.11Å; V169-L218 HydrophobicContact CG2-CD1 3.65Å; V169-L218 HydrophobicContact CG2-CG 4.23Å |
| 170 | P | 97.7 | Very high | 97.5 | Very high | 93 Ų | 93 | 50.8 Ų | 50.8 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 150.6 | 178 | -25.2 | 33.7 | 0 | 0 | 0 | 112.5 | G172 S173 T214 | P170-G172 PolarHBondContact O-N 2.82Å; P170-S173 WeakPolarHBondContact CD-OG 3.47Å; P170-S173 WeakPolarHBondContact O-CB 3.35Å; P170-S173 PolarHBondContact O-N 3.04Å; P170-S173 VanDerWaalsContact O-N 3.15Å; P170-S173 PolarHBondContact O-OG 3.27Å; P170-T214 PolarHBondContact O-OG1 2.94Å |
| 171 | V | 98.1 | Very high | 97.4 | Very high | 83 Ų | 83 | 51.1 Ų | 51.1 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 136.8 | 169.8 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | T214 S215 | V171-T214 WeakPolarHBondContact CA-OG1 3.39Å; V171-S215 WeakPolarHBondContact CG1-O 3.25Å |
| 172 | G | 97.5 | Very high | 97.1 | Very high | 46 Ų | 46 | 51.2 Ų | 51.2 | 47% | 0.474 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | 0.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P170 T214 | P170-G172 PolarHBondContact O-N 2.82Å; G172-T214 VanDerWaalsContact CA-O 3.28Å; G172-T214 WeakPolarHBondContact CA-O 3.2Å; G172-T214 PolarHBondContact N-O 2.71Å; G172-T214 PolarHBondContact N-OG1 2.98Å |
| 173 | S | 98.1 | Very high | 96.8 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | trans | -70 | 148.6 | 177.8 | -65 | 0 | 0 | 0 | 0 | 112.1 | P170 V175 N213 T214 | P170-S173 WeakPolarHBondContact CD-OG 3.47Å; P170-S173 WeakPolarHBondContact O-CB 3.35Å; P170-S173 PolarHBondContact O-N 3.04Å; P170-S173 VanDerWaalsContact O-N 3.15Å; P170-S173 PolarHBondContact O-OG 3.27Å; S173-V175 PolarHBondContact O-N 2.91Å; S173-N213 CarbonylContact O-C 3.53Å; S173-N213 WeakPolarHBondContact O-CA 3.35Å; S173-N213 WeakPolarHBondContact O-CB 3.22Å; S173-T214 PolarHBondContact N-OG1 3.3Å; S173-T214 PolarHBondContact O-N 3.4Å | ||
| 174 | F | 98.3 | Very high | 96.4 | Very high | 106 Ų | 106 | 48 Ų | 48 | 47% | 0.465 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 127.3 | 173.9 | 173.5 | -102.3 | 0 | 0 | 0 | 111.4 | A176 T211 N213 | F174-A176 WeakPolarHBondContact CE2-O 3.34Å; F174-T211 HydrophobicContact CD2-CG2 3.54Å; F174-T211 HydrophobicContact CE2-CG2 3.66Å; F174-N213 WeakPolarHBondContact CA-OD1 3.27Å |
| 175 | V | 98.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -58.3 | 177.6 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | V163 R165 S173 L203 V212 T214 L250 I252 | V163-V175 HydrophobicContact CG2-CG1 4.21Å; R165-V175 HydrophobicContact CG-CG1 4.45Å; R165-V175 PolarHBondContact NE-O 3.01Å; R165-V175 PolarHBondContact NH2-O 3.41Å; S173-V175 PolarHBondContact O-N 2.91Å; V175-L203 HydrophobicContact CG1-CD2 4.44Å; V175-L203 HydrophobicContact CG2-CD2 4.03Å; V175-V212 WeakPolarHBondContact CA-O 3.42Å; V175-V212 HydrophobicContact CB-CB 4.45Å; V175-V212 HydrophobicContact CB-CG1 4.17Å; V175-V212 WeakPolarHBondContact CB-O 3.4Å; V175-V212 HydrophobicContact CG1-CG1 4.49Å; V175-V212 PolarHBondContact N-O 3.43Å; V175-T214 HydrophobicContact CG2-CG2 3.51Å; V175-L250 HydrophobicContact CG1-CD2 4.32Å; V175-I252 HydrophobicContact CG1-CD1 3.59Å; V175-I252 HydrophobicContact CG1-CG1 4.13Å |
| 176 | A | 97.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 163.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L161 V163 F174 V212 L250 | L161-A176 HydrophobicContact CD2-CB 3.96Å; V163-A176 HydrophobicContact CG1-CB 3.92Å; V163-A176 HydrophobicContact CG2-CB 4.47Å; F174-A176 WeakPolarHBondContact CE2-O 3.34Å; A176-V212 PolarHBondContact N-O 3.03Å; A176-V212 PolarHBondContact O-N 3.05Å; A176-L250 HydrophobicContact CB-CD1 3.89Å; A176-L250 HydrophobicContact CB-CD2 4.28Å |
| 177 | S | 97.8 | Very high | 93.3 | Very high | 66 Ų | 66 | 54.2 Ų | 54.2 | 46% | 0.462 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 114.8 | 166.1 | -162.4 | 0 | 0 | 0 | 0 | 107.7 | ||
| 178 | L | 97.9 | Very high | 92.5 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | trans | -72.7 | 143.6 | 170.5 | -57.8 | 173.1 | 0 | 0 | 0 | 108.7 | F156 L161 Y193 V205 G210 V212 F234 | F156-L178 HydrophobicContact CD1-CB 4.47Å; F156-L178 HydrophobicContact CE1-CB 4.1Å; F156-L178 HydrophobicContact CE1-CD1 4.23Å; L161-L178 HydrophobicContact CD2-CD2 4.06Å; L178-Y193 HydrophobicContact CB-CD1 4.26Å; L178-Y193 HydrophobicContact CB-CE1 4.14Å; L178-Y193 HydrophobicContact CD1-CD1 4.43Å; L178-V205 HydrophobicContact CD1-CG2 4.07Å; L178-G210 WeakPolarHBondContact CB-O 3.39Å; L178-G210 PolarHBondContact N-O 3.08Å; L178-V212 HydrophobicContact CD1-CG2 3.72Å; L178-V212 HydrophobicContact CD2-CG2 4.38Å; L178-V212 HydrophobicContact CG-CG2 3.73Å; L178-F234 HydrophobicContact CD1-CB 3.63Å; L178-F234 HydrophobicContact CD1-CD1 3.59Å; L178-F234 HydrophobicContact CD1-CD2 3.8Å; L178-F234 HydrophobicContact CD1-CE1 4.17Å; L178-F234 HydrophobicContact CD1-CE2 4.38Å; L178-F234 HydrophobicContact CD1-CG 3.37Å; L178-F234 HydrophobicContact CD2-CD2 4.3Å | ||
| 179 | N | 96.1 | Very high | 92 | Very high | 94 Ų | 94 | 59.7 Ų | 59.7 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | trans | -131.8 | 114.3 | 176.6 | -177.3 | 52.3 | 0 | 0 | 0 | 107.6 | F156 F157 | F156-N179 WeakPolarHBondContact CA-O 3.36Å; F157-N179 PolarHBondContact N-O 2.97Å; F157-N179 PolarHBondContact O-ND2 2.73Å | ||
| 180 | A | 96.4 | Very high | 91.8 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109 | P154 V155 F156 I191 Y193 A236 | P154-A180 HydrophobicContact CB-CB 4.12Å; V155-A180 CarbonylContact O-C 3.56Å; V155-A180 VanDerWaalsContact O-CA 3.22Å; V155-A180 WeakPolarHBondContact O-CA 3.48Å; F156-A180 HydrophobicContact CD1-CB 4.11Å; F156-A180 HydrophobicContact CD2-CB 4.25Å; F156-A180 HydrophobicContact CE1-CB 4.22Å; F156-A180 HydrophobicContact CE2-CB 4.35Å; F156-A180 HydrophobicContact CG-CB 4.14Å; F156-A180 HydrophobicContact CZ-CB 4.35Å; A180-I191 HydrophobicContact CB-CG2 4.45Å; A180-I191 VanDerWaalsContact O-CD1 3.25Å; A180-I191 WeakPolarHBondContact O-CD1 3.14Å; A180-Y193 HydrophobicContact CB-CE1 3.81Å; A180-Y193 PolarHBondContact N-OH 2.96Å; A180-Y193 PolarHBondContact O-OH 2.82Å; A180-A236 HydrophobicContact CB-CB 3.88Å |
| 181 | S | 94.3 | Very high | 91.7 | Very high | 68 Ų | 68 | 58.1 Ų | 58.1 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137.9 | 176.1 | 53.1 | 0 | 0 | 0 | 0 | 109.6 | V155 | V155-S181 PolarHBondContact N-O 2.78Å; V155-S181 PolarHBondContact O-N 3.12Å |
| 182 | D | 93.3 | Very high | 91.7 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 16% | 0.16 | 34% | 0.338 | C | S | . | . | trans | -80.3 | 130.3 | 173.7 | -149.1 | -67.3 | 0 | 0 | 0 | 109.9 | D184 I191 D238 | D182-D184 VanDerWaalsContact C-N 3.31Å; D182-D184 WeakPolarHBondContact OD1-CB 3.26Å; D182-D184 PolarHBondContact OD1-N 2.88Å; D182-D184 VanDerWaalsContact OD1-N 3.1Å; D182-I191 HydrophobicContact CB-CD1 4.35Å; D182-D238 WeakPolarHBondContact OD2-CB 3.47Å | ||
| 183 | P | 91.3 | Very high | 91.7 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 25% | 0.247 | 32% | 0.319 | C | S | . | . | trans | -65.2 | -32.9 | 174.1 | -20.3 | 33.7 | 0 | 0 | 0 | 113.2 | E112 E152 V155 V185 | E112-P183 HydrophobicContact CG-CB 4.49Å; E112-P183 WeakPolarHBondContact CG-O 3.35Å; E152-P183 HydrophobicContact CB-CB 4.41Å; E152-P183 HydrophobicContact CB-CG 4.12Å; E152-P183 VanDerWaalsContact OE2-CB 3.32Å; E152-P183 WeakPolarHBondContact OE2-CB 3.36Å; V155-P183 HydrophobicContact CG2-CG 4.01Å; P183-V185 PolarHBondContact O-N 3.27Å | ||
| 184 | D | 89.9 | Confident | 91.7 | Very high | 13 Ų | 13 | 59.7 Ų | 59.7 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | trans | -61.9 | 119.9 | -170.3 | -60.4 | -24.2 | 0 | 0 | 0 | 111.1 | N151 E152 D182 | N151-D184 VanDerWaalsContact CA-OD2 3.28Å; N151-D184 WeakPolarHBondContact CA-OD2 3.17Å; N151-D184 PolarHBondContact OD1-OD2 3.37Å; E152-D184 WeakPolarHBondContact CB-OD1 3.28Å; E152-D184 PolarHBondContact N-OD1 3.27Å; E152-D184 PolarHBondContact N-OD2 3.03Å; D182-D184 VanDerWaalsContact C-N 3.31Å; D182-D184 WeakPolarHBondContact OD1-CB 3.26Å; D182-D184 PolarHBondContact OD1-N 2.88Å; D182-D184 VanDerWaalsContact OD1-N 3.1Å | ||
| 185 | V | 79.1 | Confident | 91.7 | Very high | 109 Ų | 109 | 57.5 Ų | 57.5 | 66% | 0.661 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -91.3 | -30.3 | -174.5 | 176.5 | 0 | 0 | 0 | 0 | 112.7 | E112 P183 | E112-V185 HydrophobicContact CG-CG2 4.13Å; P183-V185 PolarHBondContact O-N 3.27Å |
| 186 | L | 77.5 | Confident | 91.7 | Very high | 115 Ų | 115 | 62 Ų | 62 | 60% | 0.602 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -75.9 | -29.1 | -175.8 | -73 | -173.6 | 0 | 0 | 0 | 113 | Y111 | Y111-L186 HydrophobicContact CE1-CD1 3.76Å; Y111-L186 HydrophobicContact CE1-CG 4.03Å; Y111-L186 WeakPolarHBondContact OH-CD1 3.27Å |
| 187 | E | 72.6 | Confident | 91.8 | Very high | 116 Ų | 116 | 64.4 Ų | 64.4 | 54% | 0.542 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -115.4 | 113.7 | 178 | -64.4 | -165.7 | 168.9 | 0 | 0 | 110.2 | Q189 | E187-Q189 HydrophobicContact CB-CG 3.92Å; E187-Q189 WeakPolarHBondContact O-CG 3.45Å; E187-Q189 PolarHBondContact O-N 2.89Å; E187-Q189 PolarHBondContact OE2-NE2 3.21Å; E187-Q189 VanDerWaalsContact OE2-NE2 3.08Å |
| 188 | I | 77.8 | Confident | 91.8 | Very high | 174 Ų | 174 | 62.4 Ų | 62.4 | 89% | 0.892 | 34% | 0.344 | S | S | * | . | trans | -74.4 | 97.8 | 170 | -59.6 | 176.4 | 0 | 0 | 0 | 107.5 | ||||
| 189 | Q | 85.8 | Confident | 91.8 | Very high | 20 Ų | 20 | 65.4 Ų | 65.4 | 9% | 0.093 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 147.1 | -179.4 | -61.2 | -170.1 | 1.5 | 0 | 0 | 112.1 | N151 E187 D238 N239 | N151-Q189 VanDerWaalsContact OD1-CD 3.26Å; N151-Q189 PolarHBondContact OD1-NE2 2.87Å; N151-Q189 PolarHBondContact OD1-OE1 2.87Å; N151-Q189 VanDerWaalsContact OD1-OE1 3.05Å; E187-Q189 HydrophobicContact CB-CG 3.92Å; E187-Q189 WeakPolarHBondContact O-CG 3.45Å; E187-Q189 PolarHBondContact O-N 2.89Å; E187-Q189 PolarHBondContact OE2-NE2 3.21Å; E187-Q189 VanDerWaalsContact OE2-NE2 3.08Å; Q189-D238 HydrophobicContact CB-CB 4.25Å; Q189-N239 VanDerWaalsContact CA-OD1 3.26Å; Q189-N239 WeakPolarHBondContact CA-OD1 3.41Å; Q189-N239 WeakPolarHBondContact CB-OD1 3.22Å |
| 190 | S | 92.1 | Very high | 91.8 | Very high | 62 Ų | 62 | 61.9 Ų | 61.9 | 43% | 0.434 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -90.7 | 120.4 | 176.2 | 73.9 | 0 | 0 | 0 | 0 | 110 | N239 | S190-N239 PolarHBondContact N-OD1 3.42Å; S190-N239 PolarHBondContact OG-OD1 2.54Å |
| 191 | I | 95.7 | Very high | 91.9 | Very high | 30 Ų | 30 | 64.8 Ų | 64.8 | 15% | 0.154 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 132 | -179.8 | -58 | 168.6 | 0 | 0 | 0 | 110.3 | P154 A180 D182 Y193 A236 | P154-I191 HydrophobicContact CB-CD1 4.06Å; P154-I191 HydrophobicContact CB-CG1 4.21Å; P154-I191 HydrophobicContact CB-CG2 4.19Å; P154-I191 HydrophobicContact CG-CD1 4.35Å; P154-I191 HydrophobicContact CG-CG1 3.98Å; P154-I191 HydrophobicContact CG-CG2 4.15Å; A180-I191 HydrophobicContact CB-CG2 4.45Å; A180-I191 VanDerWaalsContact O-CD1 3.25Å; A180-I191 WeakPolarHBondContact O-CD1 3.14Å; D182-I191 HydrophobicContact CB-CD1 4.35Å; I191-Y193 HydrophobicContact CG2-CD2 4.49Å; I191-Y193 HydrophobicContact CG2-CE1 4.38Å; I191-Y193 HydrophobicContact CG2-CE2 3.99Å; I191-A236 HydrophobicContact CG2-CB 3.69Å |
| 192 | R | 97.7 | Very high | 92.1 | Very high | 133 Ų | 133 | 62.7 Ų | 62.7 | 50% | 0.502 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.1 | 173.6 | -68.6 | -66.1 | -172.6 | 154.8 | -0.8 | 111.4 | P207 A236 T237 | R192-P207 VanDerWaalsContact CA-O 3.27Å; R192-P207 WeakPolarHBondContact CA-O 3.42Å; R192-P207 WeakPolarHBondContact CD-O 3.49Å; R192-A236 CarbonylContact O-C 3.57Å; R192-A236 WeakPolarHBondContact O-CA 3.43Å; R192-T237 PolarHBondContact N-O 3.27Å; R192-T237 PolarHBondContact O-N 3.27Å |
| 193 | Y | 98.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 61.6 Ų | 61.6 | 8% | 0.075 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 140.2 | 179.6 | -59.5 | -92.6 | 0 | 0 | 0 | 111.7 | F156 L178 A180 I191 P207 V235 A236 | F156-Y193 HydrophobicContact CE1-CD1 4.08Å; F156-Y193 AromaticContact CE1-CE1 3.96Å; F156-Y193 HydrophobicContact CE1-CE1 3.96Å; F156-Y193 HydrophobicContact CZ-CD1 4.21Å; F156-Y193 HydrophobicContact CZ-CE1 4.31Å; L178-Y193 HydrophobicContact CB-CD1 4.26Å; L178-Y193 HydrophobicContact CB-CE1 4.14Å; L178-Y193 HydrophobicContact CD1-CD1 4.43Å; A180-Y193 HydrophobicContact CB-CE1 3.81Å; A180-Y193 PolarHBondContact N-OH 2.96Å; A180-Y193 PolarHBondContact O-OH 2.82Å; I191-Y193 HydrophobicContact CG2-CD2 4.49Å; I191-Y193 HydrophobicContact CG2-CE1 4.38Å; I191-Y193 HydrophobicContact CG2-CE2 3.99Å; Y193-P207 PolarHBondContact N-O 2.87Å; Y193-P207 WeakPolarHBondContact O-CA 3.3Å; Y193-V235 CarbonylContact C-O 3.6Å; Y193-V235 WeakPolarHBondContact CA-O 3.28Å; Y193-A236 HydrophobicContact CD1-CB 4.31Å; Y193-A236 HydrophobicContact CE1-CB 4.31Å |
| 194 | A | 98.4 | Very high | 92.7 | Very high | 43 Ų | 43 | 62.3 Ų | 62.3 | 36% | 0.355 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 158.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L196 F234 V235 | A194-L196 PolarHBondContact O-N 2.87Å; A194-F234 WeakPolarHBondContact O-CA 3.31Å; A194-V235 HydrophobicContact CB-CG1 3.81Å; A194-V235 PolarHBondContact N-O 3.25Å; A194-V235 PolarHBondContact O-N 2.85Å |
| 195 | V | 98.4 | Very high | 93.1 | Very high | 59 Ų | 59 | 62.8 Ų | 62.8 | 36% | 0.358 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 122.9 | 171.6 | -176.5 | 0 | 0 | 0 | 0 | 108 | D198 V205 F234 | V195-D198 HydrophobicContact CG1-CB 3.6Å; V195-V205 HydrophobicContact CG2-CG1 3.97Å; V195-F234 HydrophobicContact CG2-CD1 4.25Å; V195-F234 HydrophobicContact CG2-CE1 3.87Å |
| 196 | L | 98.4 | Very high | 94 | Very high | 96 Ų | 96 | 60.5 Ų | 60.5 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -44.3 | 174.3 | -178.8 | 64.4 | 0 | 0 | 0 | 110.9 | A194 L233 V235 T247 | A194-L196 PolarHBondContact O-N 2.87Å; L196-L233 WeakPolarHBondContact CA-O 3.49Å; L196-L233 HydrophobicContact CB-CB 4.19Å; L196-L233 WeakPolarHBondContact CB-O 3.49Å; L196-L233 HydrophobicContact CD2-CB 4.33Å; L196-L233 PolarHBondContact N-O 3.26Å; L196-V235 HydrophobicContact CB-CB 4.3Å; L196-V235 HydrophobicContact CB-CG1 4.43Å; L196-T247 HydrophobicContact CD2-CG2 3.74Å |
| 197 | S | 98.4 | Very high | 95 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 37% | 0.371 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 125.5 | 178.1 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | A232 L233 | S197-A232 CarbonylContact O-C 3.5Å; S197-A232 WeakPolarHBondContact O-CA 3.4Å; S197-L233 PolarHBondContact N-O 3.06Å; S197-L233 PolarHBondContact O-N 2.98Å |
| 198 | D | 98.1 | Very high | 96.1 | Very high | 23 Ų | 23 | 56.7 Ų | 56.7 | 12% | 0.123 | 33% | 0.331 | C | S | . | . | trans | -144.7 | 88.3 | 177.8 | -179.4 | 27 | 0 | 0 | 0 | 108.2 | V195 A200 A201 W202 L203 Y230 | V195-D198 HydrophobicContact CG1-CB 3.6Å; D198-A200 PolarHBondContact O-N 2.89Å; D198-A200 VanDerWaalsContact O-N 3.08Å; D198-A201 PolarHBondContact O-N 2.92Å; D198-A201 WeakPolarHBondContact OD2-CA 3.39Å; D198-W202 PolarHBondContact OD2-N 3.18Å; D198-L203 PolarHBondContact OD2-N 3.02Å; D198-Y230 VanDerWaalsContact OD1-CE1 3.24Å; D198-Y230 WeakPolarHBondContact OD1-CE1 3.38Å; D198-Y230 VanDerWaalsContact OD1-CZ 3.24Å; D198-Y230 PolarHBondContact OD1-OH 2.83Å | ||
| 199 | P | 97.8 | Very high | 97 | Very high | 71 Ų | 71 | 56 Ų | 56 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.9 | -164.9 | -29.6 | 35.8 | 0 | 0 | 0 | 115.6 | Y224 | P199-Y224 HydrophobicContact CB-CD1 3.75Å; P199-Y224 HydrophobicContact CB-CE1 4.24Å; P199-Y224 HydrophobicContact CB-CG 4.4Å |
| 200 | A | 97.5 | Very high | 97.5 | Very high | 21 Ų | 21 | 55 Ų | 55 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -0.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D198 W202 Y224 Y230 | D198-A200 PolarHBondContact O-N 2.89Å; D198-A200 VanDerWaalsContact O-N 3.08Å; A200-W202 VanDerWaalsContact C-N 3.27Å; A200-W202 HydrophobicContact CB-CD2 3.54Å; A200-W202 HydrophobicContact CB-CE3 4.14Å; A200-W202 HydrophobicContact CB-CG 3.83Å; A200-W202 HydrophobicContact CB-CH2 4.27Å; A200-W202 HydrophobicContact CB-CZ2 3.69Å; A200-W202 HydrophobicContact CB-CZ3 4.47Å; A200-W202 PolarHBondContact O-N 2.98Å; A200-W202 PolarHBondContact O-NE1 2.96Å; A200-Y224 HydrophobicContact CB-CD2 3.54Å; A200-Y224 HydrophobicContact CB-CE2 4.07Å; A200-Y224 HydrophobicContact CB-CG 3.93Å; A200-Y230 HydrophobicContact CB-CE2 3.89Å; A200-Y230 WeakPolarHBondContact CB-OH 3.06Å; A200-Y230 PolarHBondContact N-OH 2.79Å |
| 201 | A | 97.9 | Very high | 97.8 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 55% | 0.554 | 30% | 0.296 | S | S | * | . | trans | 55.5 | 37 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D198 S215 | D198-A201 PolarHBondContact O-N 2.92Å; D198-A201 WeakPolarHBondContact OD2-CA 3.39Å; A201-S215 PolarHBondContact O-OG 3.15Å; A201-S215 VanDerWaalsContact O-OG 3.05Å | ||
| 202 | W | 98.4 | Very high | 97.9 | Very high | 24 Ų | 24 | 51.2 Ų | 51.2 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | trans | -88.4 | -11.1 | -177.3 | -65.4 | -13.3 | 0 | 0 | 0 | 114.4 | D198 A200 T214 S215 A216 L218 D219 S222 V225 Y230 L254 | D198-W202 PolarHBondContact OD2-N 3.18Å; A200-W202 VanDerWaalsContact C-N 3.27Å; A200-W202 HydrophobicContact CB-CD2 3.54Å; A200-W202 HydrophobicContact CB-CE3 4.14Å; A200-W202 HydrophobicContact CB-CG 3.83Å; A200-W202 HydrophobicContact CB-CH2 4.27Å; A200-W202 HydrophobicContact CB-CZ2 3.69Å; A200-W202 HydrophobicContact CB-CZ3 4.47Å; A200-W202 PolarHBondContact O-N 2.98Å; A200-W202 PolarHBondContact O-NE1 2.96Å; W202-T214 CarbonylContact O-C 3.55Å; W202-T214 WeakPolarHBondContact O-CA 3.36Å; W202-S215 PolarHBondContact O-N 2.99Å; W202-S215 PolarHBondContact O-OG 3.12Å; W202-S215 VanDerWaalsContact O-OG 3.13Å; W202-A216 PolarHBondContact O-N 3.4Å; W202-L218 HydrophobicContact CB-CD2 3.85Å; W202-L218 HydrophobicContact CD2-CD2 4.16Å; W202-L218 HydrophobicContact CE3-CD2 3.77Å; W202-L218 HydrophobicContact CG-CD2 4.27Å; W202-D219 HydrophobicContact CH2-CB 4.08Å; W202-D219 WeakPolarHBondContact CH2-O 3.43Å; W202-D219 HydrophobicContact CZ2-CB 4.04Å; W202-S222 VanDerWaalsContact CH2-CB 3.49Å; W202-S222 WeakPolarHBondContact CH2-OG 3.33Å; W202-V225 HydrophobicContact CH2-CG2 4.02Å; W202-V225 HydrophobicContact CZ3-CG2 3.96Å; W202-Y230 HydrophobicContact CD2-CE2 4.45Å; W202-Y230 HydrophobicContact CE3-CD1 4.23Å; W202-Y230 AromaticContact CE3-CD2 3.9Å; W202-Y230 HydrophobicContact CE3-CD2 3.9Å; W202-Y230 HydrophobicContact CE3-CE1 4.07Å; W202-Y230 AromaticContact CE3-CE2 3.73Å; W202-Y230 HydrophobicContact CE3-CE2 3.73Å; W202-Y230 HydrophobicContact CE3-CG 4.14Å; W202-Y230 AromaticContact CE3-CZ 3.81Å; W202-Y230 HydrophobicContact CH2-CD2 4.47Å; W202-Y230 HydrophobicContact CH2-CE2 4.47Å; W202-Y230 AromaticContact CZ3-CD2 3.6Å; W202-Y230 HydrophobicContact CZ3-CD2 3.6Å; W202-Y230 AromaticContact CZ3-CE2 3.75Å; W202-Y230 HydrophobicContact CZ3-CE2 3.75Å; W202-Y230 HydrophobicContact CZ3-CG 4.05Å; W202-L254 HydrophobicContact CZ3-CD1 4.32Å | ||
| 203 | L | 98.6 | Very high | 98 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 149.1 | -171.2 | -55.3 | 176.6 | 0 | 0 | 0 | 111.7 | V175 D198 V212 S215 Y230 A232 F234 L250 I252 | V175-L203 HydrophobicContact CG1-CD2 4.44Å; V175-L203 HydrophobicContact CG2-CD2 4.03Å; D198-L203 PolarHBondContact OD2-N 3.02Å; L203-V212 HydrophobicContact CB-CG1 4.11Å; L203-V212 HydrophobicContact CD1-CG1 4.41Å; L203-V212 HydrophobicContact CD2-CG1 4.18Å; L203-V212 HydrophobicContact CG-CG1 4.47Å; L203-S215 PolarHBondContact N-OG 3.03Å; L203-S215 VanDerWaalsContact N-OG 3.14Å; L203-S215 PolarHBondContact O-OG 3.02Å; L203-Y230 HydrophobicContact CD1-CD1 4.39Å; L203-Y230 HydrophobicContact CD1-CE1 3.99Å; L203-Y230 HydrophobicContact CG-CE1 4.35Å; L203-A232 HydrophobicContact CD1-CB 3.62Å; L203-F234 HydrophobicContact CB-CZ 4.48Å; L203-F234 HydrophobicContact CD1-CZ 4.18Å; L203-L250 HydrophobicContact CD1-CD2 4.28Å; L203-I252 HydrophobicContact CD1-CD1 3.79Å; L203-I252 HydrophobicContact CD2-CD1 3.86Å; L203-I252 HydrophobicContact CG-CD1 4.43Å |
| 204 | S | 98.2 | Very high | 98 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148.1 | 169.8 | 60 | 0 | 0 | 0 | 0 | 109.2 | V212 N213 | S204-V212 CarbonylContact O-C 3.55Å; S204-V212 VanDerWaalsContact O-CA 3.25Å; S204-V212 WeakPolarHBondContact O-CA 3.48Å; S204-N213 PolarHBondContact N-O 2.93Å; S204-N213 PolarHBondContact O-N 2.87Å; S204-N213 PolarHBondContact OG-O 3.1Å |
| 205 | V | 98.6 | Very high | 98 | Very high | 24 Ų | 24 | 47.3 Ų | 47.3 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.3 | 178 | 66.9 | 0 | 0 | 0 | 0 | 111 | L178 V195 T211 V212 F234 | L178-V205 HydrophobicContact CD1-CG2 4.07Å; V195-V205 HydrophobicContact CG2-CG1 3.97Å; V205-T211 CarbonylContact C-O 3.58Å; V205-T211 WeakPolarHBondContact CA-O 3.34Å; V205-V212 HydrophobicContact CB-CG2 4.31Å; V205-V212 HydrophobicContact CG2-CG2 4.05Å; V205-F234 HydrophobicContact CB-CD1 4.04Å; V205-F234 HydrophobicContact CB-CE1 3.86Å; V205-F234 HydrophobicContact CG1-CD1 4.08Å; V205-F234 HydrophobicContact CG1-CE1 4.23Å; V205-F234 HydrophobicContact CG2-CD1 4.36Å; V205-F234 HydrophobicContact CG2-CE1 4.46Å |
| 206 | N | 98.3 | Very high | 97.9 | Very high | 60 Ų | 60 | 46 Ų | 46 | 32% | 0.321 | 27% | 0.273 | S | S | . | . | trans | -73 | 122.7 | 169.1 | -175.8 | -70.3 | 0 | 0 | 0 | 109.5 | V208 R209 G210 T211 | N206-V208 PolarHBondContact O-N 2.89Å; N206-V208 VanDerWaalsContact O-N 3.12Å; N206-V208 PolarHBondContact OD1-N 2.75Å; N206-R209 HydrophobicContact CB-CB 4.35Å; N206-R209 PolarHBondContact OD1-N 2.83Å; N206-G210 PolarHBondContact O-N 2.88Å; N206-T211 PolarHBondContact N-O 3.18Å | ||
| 207 | P | 97.8 | Very high | 97.9 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 38% | 0.377 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -13.2 | -171.4 | 27.6 | -36.2 | 0 | 0 | 0 | 114.5 | R192 Y193 | R192-P207 VanDerWaalsContact CA-O 3.27Å; R192-P207 WeakPolarHBondContact CA-O 3.42Å; R192-P207 WeakPolarHBondContact CD-O 3.49Å; Y193-P207 PolarHBondContact N-O 2.87Å; Y193-P207 WeakPolarHBondContact O-CA 3.3Å |
| 208 | V | 96.1 | Very high | 97.9 | Very high | 93 Ų | 93 | 43.1 Ų | 43.1 | 56% | 0.564 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -41.8 | 179.3 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | N206 | N206-V208 PolarHBondContact O-N 2.89Å; N206-V208 VanDerWaalsContact O-N 3.12Å; N206-V208 PolarHBondContact OD1-N 2.75Å |
| 209 | R | 96 | Very high | 97.8 | Very high | 159 Ų | 159 | 44.9 Ų | 44.9 | 60% | 0.6 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -8.2 | -172.2 | -53.2 | -169.3 | -36.6 | 177.6 | 8.9 | 114.5 | N206 T211 | N206-R209 HydrophobicContact CB-CB 4.35Å; N206-R209 PolarHBondContact OD1-N 2.83Å; R209-T211 WeakPolarHBondContact CB-OG1 3.49Å; R209-T211 PolarHBondContact NE-OG1 2.86Å; R209-T211 PolarHBondContact NH2-OG1 2.8Å; R209-T211 PolarHBondContact O-N 2.9Å |
| 210 | G | 97 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | 64.1 | 10.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L178 N206 V212 | L178-G210 WeakPolarHBondContact CB-O 3.39Å; L178-G210 PolarHBondContact N-O 3.08Å; N206-G210 PolarHBondContact O-N 2.88Å; G210-V212 PolarHBondContact O-N 2.66Å | ||
| 211 | T | 98.4 | Very high | 97.8 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 121.5 | 179.1 | -47.3 | 0 | 0 | 0 | 0 | 110.1 | F174 V205 N206 R209 | F174-T211 HydrophobicContact CD2-CG2 3.54Å; F174-T211 HydrophobicContact CE2-CG2 3.66Å; V205-T211 CarbonylContact C-O 3.58Å; V205-T211 WeakPolarHBondContact CA-O 3.34Å; N206-T211 PolarHBondContact N-O 3.18Å; R209-T211 WeakPolarHBondContact CB-OG1 3.49Å; R209-T211 PolarHBondContact NE-OG1 2.86Å; R209-T211 PolarHBondContact NH2-OG1 2.8Å; R209-T211 PolarHBondContact O-N 2.9Å |
| 212 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.3 | 176.1 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | V175 A176 L178 L203 S204 V205 G210 F234 L250 | V175-V212 WeakPolarHBondContact CA-O 3.42Å; V175-V212 HydrophobicContact CB-CB 4.45Å; V175-V212 HydrophobicContact CB-CG1 4.17Å; V175-V212 WeakPolarHBondContact CB-O 3.4Å; V175-V212 HydrophobicContact CG1-CG1 4.49Å; V175-V212 PolarHBondContact N-O 3.43Å; A176-V212 PolarHBondContact N-O 3.03Å; A176-V212 PolarHBondContact O-N 3.05Å; L178-V212 HydrophobicContact CD1-CG2 3.72Å; L178-V212 HydrophobicContact CD2-CG2 4.38Å; L178-V212 HydrophobicContact CG-CG2 3.73Å; L203-V212 HydrophobicContact CB-CG1 4.11Å; L203-V212 HydrophobicContact CD1-CG1 4.41Å; L203-V212 HydrophobicContact CD2-CG1 4.18Å; L203-V212 HydrophobicContact CG-CG1 4.47Å; S204-V212 CarbonylContact O-C 3.55Å; S204-V212 VanDerWaalsContact O-CA 3.25Å; S204-V212 WeakPolarHBondContact O-CA 3.48Å; V205-V212 HydrophobicContact CB-CG2 4.31Å; V205-V212 HydrophobicContact CG2-CG2 4.05Å; G210-V212 PolarHBondContact O-N 2.66Å; V212-F234 HydrophobicContact CG1-CE1 4.39Å; V212-F234 HydrophobicContact CG1-CZ 3.91Å; V212-F234 HydrophobicContact CG2-CE1 3.91Å; V212-F234 HydrophobicContact CG2-CE2 4.46Å; V212-F234 HydrophobicContact CG2-CZ 3.85Å; V212-L250 HydrophobicContact CG1-CD2 4.16Å |
| 213 | N | 98.6 | Very high | 97.7 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 158 | 176.9 | -69.5 | -4.9 | 0 | 0 | 0 | 111 | S173 F174 S204 | S173-N213 CarbonylContact O-C 3.53Å; S173-N213 WeakPolarHBondContact O-CA 3.35Å; S173-N213 WeakPolarHBondContact O-CB 3.22Å; F174-N213 WeakPolarHBondContact CA-OD1 3.27Å; S204-N213 PolarHBondContact N-O 2.93Å; S204-N213 PolarHBondContact O-N 2.87Å; S204-N213 PolarHBondContact OG-O 3.1Å |
| 214 | T | 98.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 128.6 | 172.7 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | V169 P170 V171 G172 S173 V175 W202 L218 | V169-T214 HydrophobicContact CG2-CG2 4.11Å; P170-T214 PolarHBondContact O-OG1 2.94Å; V171-T214 WeakPolarHBondContact CA-OG1 3.39Å; G172-T214 VanDerWaalsContact CA-O 3.28Å; G172-T214 WeakPolarHBondContact CA-O 3.2Å; G172-T214 PolarHBondContact N-O 2.71Å; G172-T214 PolarHBondContact N-OG1 2.98Å; S173-T214 PolarHBondContact N-OG1 3.3Å; S173-T214 PolarHBondContact O-N 3.4Å; V175-T214 HydrophobicContact CG2-CG2 3.51Å; W202-T214 CarbonylContact O-C 3.55Å; W202-T214 WeakPolarHBondContact O-CA 3.36Å; T214-L218 HydrophobicContact CG2-CD1 3.95Å; T214-L218 HydrophobicContact CG2-CD2 4.15Å; T214-L218 HydrophobicContact CG2-CG 4Å |
| 215 | S | 97.9 | Very high | 97.6 | Very high | 57 Ų | 57 | 48.1 Ų | 48.1 | 40% | 0.399 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -100.1 | -18.7 | 170.2 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | V171 A201 W202 L203 | V171-S215 WeakPolarHBondContact CG1-O 3.25Å; A201-S215 PolarHBondContact O-OG 3.15Å; A201-S215 VanDerWaalsContact O-OG 3.05Å; W202-S215 PolarHBondContact O-N 2.99Å; W202-S215 PolarHBondContact O-OG 3.12Å; W202-S215 VanDerWaalsContact O-OG 3.13Å; L203-S215 PolarHBondContact N-OG 3.03Å; L203-S215 VanDerWaalsContact N-OG 3.14Å; L203-S215 PolarHBondContact O-OG 3.02Å |
| 216 | A | 97.9 | Very high | 97.5 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -141.8 | 172 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | W202 | W202-A216 PolarHBondContact O-N 3.4Š|
| 217 | S | 97.2 | Very high | 97.3 | Very high | 81 Ų | 81 | 55 Ų | 55 | 57% | 0.566 | 31% | 0.309 | S | S | * | . | trans | -64.8 | 135.7 | 175.7 | -56.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 218 | L | 97.9 | Very high | 97.2 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | trans | -79.2 | 146.4 | 170.5 | -53.8 | 178.4 | 0 | 0 | 0 | 108.3 | R165 E167 V169 W202 T214 L254 | R165-L218 HydrophobicContact CB-CD1 4.46Å; E167-L218 HydrophobicContact CB-CB 4.38Å; V169-L218 HydrophobicContact CG2-CD1 3.65Å; V169-L218 HydrophobicContact CG2-CG 4.23Å; W202-L218 HydrophobicContact CB-CD2 3.85Å; W202-L218 HydrophobicContact CD2-CD2 4.16Å; W202-L218 HydrophobicContact CE3-CD2 3.77Å; W202-L218 HydrophobicContact CG-CD2 4.27Å; T214-L218 HydrophobicContact CG2-CD1 3.95Å; T214-L218 HydrophobicContact CG2-CD2 4.15Å; T214-L218 HydrophobicContact CG2-CG 4Å; L218-L254 HydrophobicContact CB-CD2 3.99Å; L218-L254 HydrophobicContact CD1-CD2 3.8Å; L218-L254 HydrophobicContact CG-CD2 4.42Å | ||
| 219 | D | 97.6 | Very high | 97.3 | Very high | 60 Ų | 60 | 55.1 Ų | 55.1 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | trans | -144.1 | 113.7 | -177.3 | 168.2 | 2 | 0 | 0 | 0 | 107.8 | W202 E221 S222 V225 | W202-D219 HydrophobicContact CH2-CB 4.08Å; W202-D219 WeakPolarHBondContact CH2-O 3.43Å; W202-D219 HydrophobicContact CZ2-CB 4.04Å; D219-E221 WeakPolarHBondContact OD1-CA 3.49Å; D219-E221 PolarHBondContact OD1-N 2.84Å; D219-S222 WeakPolarHBondContact O-CB 3.42Å; D219-S222 PolarHBondContact OD1-N 3.1Å; D219-V225 VanDerWaalsContact O-CG2 3.28Å; D219-V225 WeakPolarHBondContact O-CG2 3.32Å | ||
| 220 | R | 97.3 | Very high | 97.4 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -74 | -29.9 | -176.9 | -169.5 | -162.8 | 71 | 74 | 4.5 | 111.4 | E167 S222 V225 N228 L254 D256 K288 | E167-R220 VanDerWaalsContact OE2-CB 3.24Å; E167-R220 WeakPolarHBondContact OE2-CB 3.22Å; E167-R220 PolarHBondContact OE2-N 2.75Å; R220-S222 VanDerWaalsContact C-N 3.27Å; R220-V225 WeakPolarHBondContact O-CB 3.19Å; R220-V225 WeakPolarHBondContact O-CG1 3.32Å; R220-N228 PolarHBondContact NH1-OD1 2.87Å; R220-L254 HydrophobicContact CB-CB 4.09Å; R220-L254 HydrophobicContact CG-CB 3.9Å; R220-D256 IonicContact CZ-OD1 2.7Å; R220-D256 VanDerWaalsContact CZ-OD1 3.27Å; R220-D256 IonicContact NE-OD1 3.27Å; R220-D256 PolarHBondContact NE-OD1 3.43Å; R220-D256 IonicContact NH2-OD1 2.89Å; R220-D256 PolarHBondContact NH2-OD1 3.04Å; R220-K288 PolarHBondContact NH2-O 2.84Å |
| 221 | E | 96.5 | Very high | 97.5 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -82.1 | -6.9 | -180 | -65.8 | 65.2 | -136 | 0 | 0 | 112.9 | D219 K288 | D219-E221 WeakPolarHBondContact OD1-CA 3.49Å; D219-E221 PolarHBondContact OD1-N 2.84Å; E221-K288 HydrophobicContact CB-CB 4.46Å; E221-K288 HydrophobicContact CB-CD 4.33Å; E221-K288 HydrophobicContact CG-CB 3.66Å; E221-K288 HydrophobicContact CG-CD 4.35Å |
| 222 | S | 96.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -56.7 | 144.8 | 174.9 | 174.9 | 0 | 0 | 0 | 0 | 113.3 | W202 D219 R220 Y224 V225 | W202-S222 VanDerWaalsContact CH2-CB 3.49Å; W202-S222 WeakPolarHBondContact CH2-OG 3.33Å; D219-S222 WeakPolarHBondContact O-CB 3.42Å; D219-S222 PolarHBondContact OD1-N 3.1Å; R220-S222 VanDerWaalsContact C-N 3.27Å; S222-Y224 PolarHBondContact O-N 2.96Å; S222-Y224 VanDerWaalsContact O-N 3.1Å; S222-Y224 WeakPolarHBondContact OG-CD2 3.27Å; S222-Y224 PolarHBondContact OG-N 2.91Å; S222-V225 PolarHBondContact O-N 3.48Å |
| 223 | P | 97 | Very high | 97.5 | Very high | 104 Ų | 104 | 52.8 Ų | 52.8 | 68% | 0.675 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -15.7 | 176.2 | 28.5 | -37 | 0 | 0 | 0 | 114 | V225 H226 | P223-V225 VanDerWaalsContact C-N 3.29Å; P223-H226 PolarHBondContact O-CE1 2.79Å |
| 224 | Y | 97.4 | Very high | 97.5 | Very high | 121 Ų | 121 | 50.4 Ų | 50.4 | 48% | 0.475 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -7.4 | 177 | -56.7 | -70 | 0 | 0 | 0 | 113.2 | P199 A200 S222 | P199-Y224 HydrophobicContact CB-CD1 3.75Å; P199-Y224 HydrophobicContact CB-CE1 4.24Å; P199-Y224 HydrophobicContact CB-CG 4.4Å; A200-Y224 HydrophobicContact CB-CD2 3.54Å; A200-Y224 HydrophobicContact CB-CE2 4.07Å; A200-Y224 HydrophobicContact CB-CG 3.93Å; S222-Y224 PolarHBondContact O-N 2.96Å; S222-Y224 VanDerWaalsContact O-N 3.1Å; S222-Y224 WeakPolarHBondContact OG-CD2 3.27Å; S222-Y224 PolarHBondContact OG-N 2.91Å |
| 225 | V | 97.5 | Very high | 97.5 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 9% | 0.085 | 29% | 0.292 | C | S | . | . | trans | -101 | 128.9 | 178 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | W202 D219 R220 S222 P223 Y230 L254 | W202-V225 HydrophobicContact CH2-CG2 4.02Å; W202-V225 HydrophobicContact CZ3-CG2 3.96Å; D219-V225 VanDerWaalsContact O-CG2 3.28Å; D219-V225 WeakPolarHBondContact O-CG2 3.32Å; R220-V225 WeakPolarHBondContact O-CB 3.19Å; R220-V225 WeakPolarHBondContact O-CG1 3.32Å; S222-V225 PolarHBondContact O-N 3.48Å; P223-V225 VanDerWaalsContact C-N 3.29Å; V225-Y230 HydrophobicContact CG2-CD2 4.15Å; V225-L254 HydrophobicContact CG1-CD1 4.36Å; V225-L254 HydrophobicContact CG2-CD1 3.7Å | ||
| 226 | H | 96.6 | Very high | 97.5 | Very high | 136 Ų | 136 | 48.6 Ų | 48.6 | 63% | 0.63 | 27% | 0.273 | S | S | * | . | B | Isolated β-bridge | trans | -125.4 | 121.3 | -179.1 | -61.5 | -40.1 | 0 | 0 | 0 | 109.9 | P223 N228 K229 | P223-H226 PolarHBondContact O-CE1 2.79Å; H226-N228 VanDerWaalsContact C-N 3.28Å; H226-N228 PolarHBondContact O-N 3.28Å; H226-K229 PolarHBondContact N-O 2.85Å; H226-K229 WeakPolarHBondContact O-CB 3.22Å; H226-K229 PolarHBondContact O-N 2.77Å |
| 227 | A | 94.7 | Very high | 97.5 | Very high | 94 Ų | 94 | 49.2 Ų | 49.2 | 78% | 0.777 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 46.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K229 | A227-K229 PolarHBondContact O-N 3.25Š|
| 228 | N | 95.6 | Very high | 97.4 | Very high | 61 Ų | 61 | 45.7 Ų | 45.7 | 33% | 0.326 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 20.1 | -177.3 | -53.2 | -15.2 | 0 | 0 | 0 | 114.5 | R220 H226 H253 L254 | R220-N228 PolarHBondContact NH1-OD1 2.87Å; H226-N228 VanDerWaalsContact C-N 3.28Å; H226-N228 PolarHBondContact O-N 3.28Å; N228-H253 WeakPolarHBondContact O-CA 3.5Å; N228-L254 PolarHBondContact O-N 3.09Å |
| 229 | K | 98.1 | Very high | 97.2 | Very high | 91 Ų | 91 | 49.7 Ų | 49.7 | 40% | 0.396 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.5 | 178.3 | -65.1 | 174.2 | 176.3 | -178.9 | 0 | 110.8 | H226 A227 I251 I252 H253 | H226-K229 PolarHBondContact N-O 2.85Å; H226-K229 WeakPolarHBondContact O-CB 3.22Å; H226-K229 PolarHBondContact O-N 2.77Å; A227-K229 PolarHBondContact O-N 3.25Å; K229-I251 HydrophobicContact CB-CG2 3.99Å; K229-I251 HydrophobicContact CD-CG2 4.05Å; K229-I251 HydrophobicContact CG-CG2 3.98Å; K229-I252 WeakPolarHBondContact CA-O 3.41Å; K229-H253 WeakPolarHBondContact CE-CE1 3.25Å |
| 230 | Y | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.5 | 166.2 | -174.1 | -104.7 | 0 | 0 | 0 | 108.9 | D198 A200 W202 L203 V225 A232 I251 I252 | D198-Y230 VanDerWaalsContact OD1-CE1 3.24Å; D198-Y230 WeakPolarHBondContact OD1-CE1 3.38Å; D198-Y230 VanDerWaalsContact OD1-CZ 3.24Å; D198-Y230 PolarHBondContact OD1-OH 2.83Å; A200-Y230 HydrophobicContact CB-CE2 3.89Å; A200-Y230 WeakPolarHBondContact CB-OH 3.06Å; A200-Y230 PolarHBondContact N-OH 2.79Å; W202-Y230 HydrophobicContact CD2-CE2 4.45Å; W202-Y230 HydrophobicContact CE3-CD1 4.23Å; W202-Y230 AromaticContact CE3-CD2 3.9Å; W202-Y230 HydrophobicContact CE3-CD2 3.9Å; W202-Y230 HydrophobicContact CE3-CE1 4.07Å; W202-Y230 AromaticContact CE3-CE2 3.73Å; W202-Y230 HydrophobicContact CE3-CE2 3.73Å; W202-Y230 HydrophobicContact CE3-CG 4.14Å; W202-Y230 AromaticContact CE3-CZ 3.81Å; W202-Y230 HydrophobicContact CH2-CD2 4.47Å; W202-Y230 HydrophobicContact CH2-CE2 4.47Å; W202-Y230 AromaticContact CZ3-CD2 3.6Å; W202-Y230 HydrophobicContact CZ3-CD2 3.6Å; W202-Y230 AromaticContact CZ3-CE2 3.75Å; W202-Y230 HydrophobicContact CZ3-CE2 3.75Å; W202-Y230 HydrophobicContact CZ3-CG 4.05Å; L203-Y230 HydrophobicContact CD1-CD1 4.39Å; L203-Y230 HydrophobicContact CD1-CE1 3.99Å; L203-Y230 HydrophobicContact CG-CE1 4.35Å; V225-Y230 HydrophobicContact CG2-CD2 4.15Å; Y230-A232 HydrophobicContact CE1-CB 4.43Å; Y230-I251 WeakPolarHBondContact O-CA 3.31Å; Y230-I252 HydrophobicContact CD1-CD1 4.19Å; Y230-I252 PolarHBondContact N-O 3.48Å; Y230-I252 PolarHBondContact O-N 3.22Å |
| 231 | T | 98.5 | Very high | 96.4 | Very high | 64 Ų | 64 | 52.3 Ų | 52.3 | 39% | 0.393 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 127 | -176.2 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | T249 L250 I251 | T231-T249 HydrophobicContact CG2-CG2 3.81Å; T231-L250 WeakPolarHBondContact CA-O 3.46Å; T231-I251 HydrophobicContact CG2-CG1 4.32Å |
| 232 | A | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S197 L203 Y230 F234 L250 | S197-A232 CarbonylContact O-C 3.5Å; S197-A232 WeakPolarHBondContact O-CA 3.4Å; L203-A232 HydrophobicContact CD1-CB 3.62Å; Y230-A232 HydrophobicContact CE1-CB 4.43Å; A232-F234 HydrophobicContact CB-CE2 3.85Å; A232-F234 HydrophobicContact CB-CZ 4.29Å; A232-L250 PolarHBondContact N-O 3.36Å; A232-L250 PolarHBondContact O-N 2.81Å |
| 233 | L | 98.7 | Very high | 96 | Very high | 57 Ų | 57 | 59.1 Ų | 59.1 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 138.1 | 177.9 | -57.2 | 178 | 0 | 0 | 0 | 109.8 | L196 S197 G248 T249 | L196-L233 WeakPolarHBondContact CA-O 3.49Å; L196-L233 HydrophobicContact CB-CB 4.19Å; L196-L233 WeakPolarHBondContact CB-O 3.49Å; L196-L233 HydrophobicContact CD2-CB 4.33Å; L196-L233 PolarHBondContact N-O 3.26Å; S197-L233 PolarHBondContact N-O 3.06Å; S197-L233 PolarHBondContact O-N 2.98Å; L233-G248 WeakPolarHBondContact CA-O 3.19Å; L233-T249 HydrophobicContact CD2-CG2 3.99Å; L233-T249 WeakPolarHBondContact CD2-OG1 3.48Å |
| 234 | F | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149.8 | 177.7 | -63.8 | -92.5 | 0 | 0 | 0 | 109.3 | F156 L178 A194 V195 L203 V205 V212 A232 T247 G248 L250 | F156-F234 HydrophobicContact CE1-CB 4.5Å; F156-F234 HydrophobicContact CZ-CB 4.37Å; L178-F234 HydrophobicContact CD1-CB 3.63Å; L178-F234 HydrophobicContact CD1-CD1 3.59Å; L178-F234 HydrophobicContact CD1-CD2 3.8Å; L178-F234 HydrophobicContact CD1-CE1 4.17Å; L178-F234 HydrophobicContact CD1-CE2 4.38Å; L178-F234 HydrophobicContact CD1-CG 3.37Å; L178-F234 HydrophobicContact CD2-CD2 4.3Å; A194-F234 WeakPolarHBondContact O-CA 3.31Å; V195-F234 HydrophobicContact CG2-CD1 4.25Å; V195-F234 HydrophobicContact CG2-CE1 3.87Å; L203-F234 HydrophobicContact CB-CZ 4.48Å; L203-F234 HydrophobicContact CD1-CZ 4.18Å; V205-F234 HydrophobicContact CB-CD1 4.04Å; V205-F234 HydrophobicContact CB-CE1 3.86Å; V205-F234 HydrophobicContact CG1-CD1 4.08Å; V205-F234 HydrophobicContact CG1-CE1 4.23Å; V205-F234 HydrophobicContact CG2-CD1 4.36Å; V205-F234 HydrophobicContact CG2-CE1 4.46Å; V212-F234 HydrophobicContact CG1-CE1 4.39Å; V212-F234 HydrophobicContact CG1-CZ 3.91Å; V212-F234 HydrophobicContact CG2-CE1 3.91Å; V212-F234 HydrophobicContact CG2-CE2 4.46Å; V212-F234 HydrophobicContact CG2-CZ 3.85Å; A232-F234 HydrophobicContact CB-CE2 3.85Å; A232-F234 HydrophobicContact CB-CZ 4.29Å; F234-T247 CarbonylContact O-C 3.56Å; F234-T247 WeakPolarHBondContact O-CA 3.31Å; F234-G248 PolarHBondContact N-O 3.05Å; F234-G248 PolarHBondContact O-N 3.49Å; F234-L250 HydrophobicContact CD2-CB 4.11Å; F234-L250 HydrophobicContact CE2-CB 3.68Å; F234-L250 HydrophobicContact CE2-CD2 3.8Å; F234-L250 HydrophobicContact CE2-CG 4.4Å; F234-L250 HydrophobicContact CZ-CD2 4.22Å |
| 235 | V | 98.4 | Very high | 95.8 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.4 | 173.7 | 63.1 | 0 | 0 | 0 | 0 | 108.9 | Y193 A194 L196 T245 G246 | Y193-V235 CarbonylContact C-O 3.6Å; Y193-V235 WeakPolarHBondContact CA-O 3.28Å; A194-V235 HydrophobicContact CB-CG1 3.81Å; A194-V235 PolarHBondContact N-O 3.25Å; A194-V235 PolarHBondContact O-N 2.85Å; L196-V235 HydrophobicContact CB-CB 4.3Å; L196-V235 HydrophobicContact CB-CG1 4.43Å; V235-T245 HydrophobicContact CG2-CG2 4.24Å; V235-G246 CarbonylContact C-O 3.53Å; V235-G246 VanDerWaalsContact CA-O 3.32Å; V235-G246 WeakPolarHBondContact CA-O 3.36Å; V235-G246 WeakPolarHBondContact CG2-O 3.24Å |
| 236 | A | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | P154 F156 A180 I191 R192 Y193 T245 G246 | P154-A236 HydrophobicContact CB-CB 3.82Å; P154-A236 HydrophobicContact CG-CB 4.25Å; F156-A236 HydrophobicContact CD2-CB 4.46Å; F156-A236 HydrophobicContact CE1-CB 4.47Å; F156-A236 HydrophobicContact CE2-CB 3.46Å; F156-A236 VanDerWaalsContact CE2-CB 3.46Å; F156-A236 HydrophobicContact CZ-CB 3.48Å; F156-A236 VanDerWaalsContact CZ-CB 3.48Å; A180-A236 HydrophobicContact CB-CB 3.88Å; I191-A236 HydrophobicContact CG2-CB 3.69Å; R192-A236 CarbonylContact O-C 3.57Å; R192-A236 WeakPolarHBondContact O-CA 3.43Å; Y193-A236 HydrophobicContact CD1-CB 4.31Å; Y193-A236 HydrophobicContact CE1-CB 4.31Å; A236-T245 CarbonylContact O-C 3.56Å; A236-T245 VanDerWaalsContact O-CA 3.22Å; A236-T245 WeakPolarHBondContact O-CA 3.11Å; A236-G246 PolarHBondContact N-O 3.36Å; A236-G246 PolarHBondContact O-N 3.09Å |
| 237 | T | 97.4 | Very high | 95.9 | Very high | 45 Ų | 45 | 50.4 Ų | 50.4 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.6 | 179.9 | -52.6 | 0 | 0 | 0 | 0 | 108.1 | R192 P243 A244 T245 | R192-T237 PolarHBondContact N-O 3.27Å; R192-T237 PolarHBondContact O-N 3.27Å; T237-P243 HydrophobicContact CG2-CB 4.22Å; T237-A244 WeakPolarHBondContact CA-O 3.34Å; T237-T245 HydrophobicContact CG2-CG2 3.93Å |
| 238 | D | 95.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.043 | 28% | 0.275 | C | S | . | . | trans | -77.4 | -174.9 | 172.5 | 65.7 | 44.7 | 0 | 0 | 0 | 111.3 | N151 P154 D182 Q189 G240 P243 A244 | N151-D238 PolarHBondContact ND2-OD2 2.76Å; N151-D238 VanDerWaalsContact ND2-OD2 3.1Å; P154-D238 HydrophobicContact CG-CB 3.95Å; D182-D238 WeakPolarHBondContact OD2-CB 3.47Å; Q189-D238 HydrophobicContact CB-CB 4.25Å; D238-G240 PolarHBondContact OD1-N 2.89Å; D238-P243 VanDerWaalsContact OD1-CA 3.25Å; D238-P243 WeakPolarHBondContact OD1-CA 3.45Å; D238-A244 VanDerWaalsContact CG-N 3.35Å; D238-A244 PolarHBondContact N-O 2.84Å; D238-A244 PolarHBondContact OD1-N 3.06Å; D238-A244 VanDerWaalsContact OD2-C 3.23Å; D238-A244 WeakPolarHBondContact OD2-CA 3.32Å; D238-A244 WeakPolarHBondContact OD2-CB 3.32Å; D238-A244 PolarHBondContact OD2-N 3.49Å; D238-A244 VanDerWaalsContact OD2-O 3.07Å | ||
| 239 | N | 93.6 | Very high | 96.2 | Very high | 90 Ų | 90 | 44.9 Ų | 44.9 | 48% | 0.481 | 27% | 0.27 | S | S | . | . | trans | -117.3 | 25.4 | 173.4 | 74.5 | -60.5 | 0 | 0 | 0 | 112.7 | Q189 S190 | Q189-N239 VanDerWaalsContact CA-OD1 3.26Å; Q189-N239 WeakPolarHBondContact CA-OD1 3.41Å; Q189-N239 WeakPolarHBondContact CB-OD1 3.22Å; S190-N239 PolarHBondContact N-OD1 3.42Å; S190-N239 PolarHBondContact OG-OD1 2.54Å | ||
| 240 | G | 89.6 | Confident | 96.3 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | trans | -64.2 | 174.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N151 D238 P242 P243 | N151-G240 VanDerWaalsContact OD1-CA 3.22Å; N151-G240 WeakPolarHBondContact OD1-CA 3.4Å; D238-G240 PolarHBondContact OD1-N 2.89Å; G240-P242 VanDerWaalsContact C-C 3.47Å; G240-P242 CarbonylContact C-O 3.57Å; G240-P242 CarbonylContact O-C 3.52Å; G240-P243 WeakPolarHBondContact O-CA 3.34Å; G240-P243 WeakPolarHBondContact O-CD 3.49Å; G240-P243 WeakPolarHBondContact O-CG 3.4Å; G240-P243 VanDerWaalsContact O-N 3.11Å | ||
| 241 | T | 88.2 | Confident | 96.3 | Very high | 137 Ų | 137 | 41.7 Ų | 41.7 | 84% | 0.84 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -130.6 | 103.1 | 177.5 | -56 | 0 | 0 | 0 | 0 | 110.9 | ||
| 242 | P | 91 | Very high | 96.3 | Very high | 103 Ų | 103 | 38.7 Ų | 38.7 | 67% | 0.669 | 24% | 0.239 | S | C | * | . | S | Bend | cis | -69.7 | 154.7 | -2.1 | 31.4 | -35.6 | 0 | 0 | 0 | 112.2 | G240 | G240-P242 VanDerWaalsContact C-C 3.47Å; G240-P242 CarbonylContact C-O 3.57Å; G240-P242 CarbonylContact O-C 3.52Å |
| 243 | P | 93.6 | Very high | 96.3 | Very high | 86 Ų | 86 | 41.4 Ų | 41.4 | 56% | 0.558 | 25% | 0.251 | S | S | * | . | trans | -65.8 | 136.2 | 175.2 | -18.2 | 29.7 | 0 | 0 | 0 | 111.1 | T237 D238 G240 | T237-P243 HydrophobicContact CG2-CB 4.22Å; D238-P243 VanDerWaalsContact OD1-CA 3.25Å; D238-P243 WeakPolarHBondContact OD1-CA 3.45Å; G240-P243 WeakPolarHBondContact O-CA 3.34Å; G240-P243 WeakPolarHBondContact O-CD 3.49Å; G240-P243 WeakPolarHBondContact O-CG 3.4Å; G240-P243 VanDerWaalsContact O-N 3.11Å | ||
| 244 | A | 94.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 39 Ų | 39 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | trans | -105.9 | 167.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N151 T237 D238 | N151-A244 VanDerWaalsContact ND2-CB 3.27Å; N151-A244 WeakPolarHBondContact ND2-CB 3.17Å; T237-A244 WeakPolarHBondContact CA-O 3.34Å; D238-A244 VanDerWaalsContact CG-N 3.35Å; D238-A244 PolarHBondContact N-O 2.84Å; D238-A244 PolarHBondContact OD1-N 3.06Å; D238-A244 VanDerWaalsContact OD2-C 3.23Å; D238-A244 WeakPolarHBondContact OD2-CA 3.32Å; D238-A244 WeakPolarHBondContact OD2-CB 3.32Å; D238-A244 PolarHBondContact OD2-N 3.49Å; D238-A244 VanDerWaalsContact OD2-O 3.07Å | ||
| 245 | T | 96.9 | Very high | 96.1 | Very high | 84 Ų | 84 | 43.7 Ų | 43.7 | 52% | 0.515 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 138.7 | -172.6 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | V235 A236 T237 | V235-T245 HydrophobicContact CG2-CG2 4.24Å; A236-T245 CarbonylContact O-C 3.56Å; A236-T245 VanDerWaalsContact O-CA 3.22Å; A236-T245 WeakPolarHBondContact O-CA 3.11Å; T237-T245 HydrophobicContact CG2-CG2 3.93Å |
| 246 | G | 97.1 | Very high | 96 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 12% | 0.124 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 153.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P154 F156 V235 A236 | P154-G246 VanDerWaalsContact O-CA 3.24Å; P154-G246 WeakPolarHBondContact O-CA 3.37Å; F156-G246 WeakPolarHBondContact CE2-O 3.17Å; V235-G246 CarbonylContact C-O 3.53Å; V235-G246 VanDerWaalsContact CA-O 3.32Å; V235-G246 WeakPolarHBondContact CA-O 3.36Å; V235-G246 WeakPolarHBondContact CG2-O 3.24Å; A236-G246 PolarHBondContact N-O 3.36Å; A236-G246 PolarHBondContact O-N 3.09Å |
| 247 | T | 98.4 | Very high | 95.9 | Very high | 73 Ų | 73 | 47.3 Ų | 47.3 | 45% | 0.448 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.1 | 173.6 | -60 | 0 | 0 | 0 | 0 | 109.2 | L196 F234 | L196-T247 HydrophobicContact CD2-CG2 3.74Å; F234-T247 CarbonylContact O-C 3.56Å; F234-T247 WeakPolarHBondContact O-CA 3.31Å |
| 248 | G | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L233 F234 | L233-G248 WeakPolarHBondContact CA-O 3.19Å; F234-G248 PolarHBondContact N-O 3.05Å; F234-G248 PolarHBondContact O-N 3.49Å |
| 249 | T | 98.7 | Very high | 95.8 | Very high | 37 Ų | 37 | 48.7 Ų | 48.7 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126 | -177.9 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | D159 P160 L161 T231 L233 I251 | D159-T249 WeakPolarHBondContact OD1-CB 3.49Å; D159-T249 PolarHBondContact OD1-N 2.81Å; P160-T249 CarbonylContact C-O 3.55Å; P160-T249 WeakPolarHBondContact CA-O 3.49Å; P160-T249 HydrophobicContact CB-CG2 4.08Å; L161-T249 PolarHBondContact N-O 3.36Å; T231-T249 HydrophobicContact CG2-CG2 3.81Å; L233-T249 HydrophobicContact CD2-CG2 3.99Å; L233-T249 WeakPolarHBondContact CD2-OG1 3.48Å; T249-I251 HydrophobicContact CG2-CG1 4.08Å |
| 250 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.8 | 169.5 | 179.5 | 63.1 | 0 | 0 | 0 | 109.3 | L161 V163 V175 A176 L203 V212 T231 A232 F234 I252 | L161-L250 HydrophobicContact CB-CD1 4.1Å; L161-L250 HydrophobicContact CD2-CD1 3.98Å; L161-L250 HydrophobicContact CG-CD1 3.91Å; V163-L250 HydrophobicContact CG1-CD1 4.42Å; V163-L250 HydrophobicContact CG2-CD1 3.96Å; V175-L250 HydrophobicContact CG1-CD2 4.32Å; A176-L250 HydrophobicContact CB-CD1 3.89Å; A176-L250 HydrophobicContact CB-CD2 4.28Å; L203-L250 HydrophobicContact CD1-CD2 4.28Å; V212-L250 HydrophobicContact CG1-CD2 4.16Å; T231-L250 WeakPolarHBondContact CA-O 3.46Å; A232-L250 PolarHBondContact N-O 3.36Å; A232-L250 PolarHBondContact O-N 2.81Å; F234-L250 HydrophobicContact CD2-CB 4.11Å; F234-L250 HydrophobicContact CE2-CB 3.68Å; F234-L250 HydrophobicContact CE2-CD2 3.8Å; F234-L250 HydrophobicContact CE2-CG 4.4Å; F234-L250 HydrophobicContact CZ-CD2 4.22Å; L250-I252 HydrophobicContact CD2-CD1 4.16Å; L250-I252 HydrophobicContact CD2-CG1 4.11Å; L250-I252 HydrophobicContact CG-CG1 3.98Å |
| 251 | I | 98.7 | Very high | 96.2 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 14% | 0.138 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 116 | 172 | -55.5 | 177 | 0 | 0 | 0 | 108.3 | P160 L161 L162 V163 K229 Y230 T231 T249 | P160-I251 HydrophobicContact CB-CD1 3.92Å; P160-I251 HydrophobicContact CB-CG1 4.21Å; P160-I251 HydrophobicContact CG-CD1 4.16Å; L161-I251 PolarHBondContact O-N 2.87Å; L162-I251 WeakPolarHBondContact CA-O 3.33Å; L162-I251 HydrophobicContact CD2-CB 3.62Å; L162-I251 HydrophobicContact CD2-CD1 3.86Å; L162-I251 HydrophobicContact CD2-CG1 4.11Å; L162-I251 HydrophobicContact CD2-CG2 4.17Å; V163-I251 PolarHBondContact N-O 2.87Å; K229-I251 HydrophobicContact CB-CG2 3.99Å; K229-I251 HydrophobicContact CD-CG2 4.05Å; K229-I251 HydrophobicContact CG-CG2 3.98Å; Y230-I251 WeakPolarHBondContact O-CA 3.31Å; T231-I251 HydrophobicContact CG2-CG1 4.32Å; T249-I251 HydrophobicContact CG2-CG1 4.08Å |
| 252 | I | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 116.1 | 177.2 | -50.2 | 175.7 | 0 | 0 | 0 | 108 | V163 R165 V175 L203 K229 Y230 L250 L254 | V163-I252 HydrophobicContact CG2-CB 4.29Å; V163-I252 HydrophobicContact CG2-CG1 3.93Å; V163-I252 HydrophobicContact CG2-CG2 4.24Å; V163-I252 CarbonylContact O-C 3.58Å; V163-I252 WeakPolarHBondContact O-CA 3.05Å; R165-I252 HydrophobicContact CB-CG2 4.18Å; R165-I252 HydrophobicContact CG-CG2 4.26Å; V175-I252 HydrophobicContact CG1-CD1 3.59Å; V175-I252 HydrophobicContact CG1-CG1 4.13Å; L203-I252 HydrophobicContact CD1-CD1 3.79Å; L203-I252 HydrophobicContact CD2-CD1 3.86Å; L203-I252 HydrophobicContact CG-CD1 4.43Å; K229-I252 WeakPolarHBondContact CA-O 3.41Å; Y230-I252 HydrophobicContact CD1-CD1 4.19Å; Y230-I252 PolarHBondContact N-O 3.48Å; Y230-I252 PolarHBondContact O-N 3.22Å; L250-I252 HydrophobicContact CD2-CD1 4.16Å; L250-I252 HydrophobicContact CD2-CG1 4.11Å; L250-I252 HydrophobicContact CG-CG1 3.98Å; I252-L254 HydrophobicContact CG2-CD2 3.88Å; I252-L254 HydrophobicContact CG2-CG 4.32Å |
| 253 | H | 98.4 | Very high | 96.8 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 27% | 0.269 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 114.3 | 165 | -74.1 | -88 | 0 | 0 | 0 | 109.1 | V163 T164 R165 N228 K229 | V163-H253 PolarHBondContact O-N 2.93Å; T164-H253 CarbonylContact C-O 3.57Å; T164-H253 VanDerWaalsContact CA-O 3.27Å; T164-H253 WeakPolarHBondContact CA-O 3.41Å; T164-H253 HydrophobicContact CG2-CB 4.22Å; R165-H253 PolarHBondContact N-O 2.91Å; N228-H253 WeakPolarHBondContact O-CA 3.5Å; K229-H253 WeakPolarHBondContact CE-CE1 3.25Å |
| 254 | L | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 122.9 | 178.2 | -68.6 | 173.5 | 0 | 0 | 0 | 110 | R165 W202 L218 R220 V225 N228 I252 | R165-L254 WeakPolarHBondContact O-CA 3.41Å; W202-L254 HydrophobicContact CZ3-CD1 4.32Å; L218-L254 HydrophobicContact CB-CD2 3.99Å; L218-L254 HydrophobicContact CD1-CD2 3.8Å; L218-L254 HydrophobicContact CG-CD2 4.42Å; R220-L254 HydrophobicContact CB-CB 4.09Å; R220-L254 HydrophobicContact CG-CB 3.9Å; V225-L254 HydrophobicContact CG1-CD1 4.36Å; V225-L254 HydrophobicContact CG2-CD1 3.7Å; N228-L254 PolarHBondContact O-N 3.09Å; I252-L254 HydrophobicContact CG2-CD2 3.88Å; I252-L254 HydrophobicContact CG2-CG 4.32Å |
| 255 | E | 96.8 | Very high | 96.9 | Very high | 100 Ų | 100 | 37.8 Ų | 37.8 | 47% | 0.467 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 139.6 | 170.9 | -72 | -179 | 164.7 | 0 | 0 | 110.1 | T164 R165 M166 E167 | T164-E255 HydrophobicContact CG2-CG 3.52Å; T164-E255 VanDerWaalsContact CG2-OE1 3.31Å; T164-E255 WeakPolarHBondContact CG2-OE1 3.41Å; R165-E255 PolarHBondContact O-N 3.36Å; M166-E255 HydrophobicContact CG-CB 4.25Å; M166-E255 HydrophobicContact SD-CB 3.31Å; M166-E255 WeakPolarHBondContact SD-CB 3.24Å; M166-E255 HydrophobicContact SD-CG 4.43Å; E167-E255 PolarHBondContact N-O 3.37Å |
| 256 | D | 95.5 | Very high | 96.7 | Very high | 26 Ų | 26 | 37 Ų | 37 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -72.9 | 131.4 | -174.4 | -173.4 | 89.1 | 0 | 0 | 0 | 111.4 | E167 R220 L290 N293 | E167-D256 WeakPolarHBondContact OE1-CA 3.39Å; R220-D256 IonicContact CZ-OD1 2.7Å; R220-D256 VanDerWaalsContact CZ-OD1 3.27Å; R220-D256 IonicContact NE-OD1 3.27Å; R220-D256 PolarHBondContact NE-OD1 3.43Å; R220-D256 IonicContact NH2-OD1 2.89Å; R220-D256 PolarHBondContact NH2-OD1 3.04Å; D256-L290 HydrophobicContact CB-CB 4.39Å; D256-L290 PolarHBondContact OD1-N 2.89Å; D256-L290 PolarHBondContact OD2-N 3.1Å; D256-L290 VanDerWaalsContact OD2-N 3.15Å; D256-N293 PolarHBondContact O-ND2 2.77Å; D256-N293 PolarHBondContact OD2-ND2 3.2Å |
| 257 | Y | 96 | Very high | 96.5 | Very high | 73 Ų | 73 | 40 Ų | 40 | 29% | 0.286 | 22% | 0.221 | S | C | . | . | trans | -121.7 | 144.2 | 172.9 | -174.7 | -105.6 | 0 | 0 | 0 | 109.6 | E167 N168 D259 | E167-Y257 PolarHBondContact OE1-N 3.43Å; N168-Y257 HydrophobicContact CB-CD1 3.51Å; N168-Y257 HydrophobicContact CB-CD2 4.16Å; N168-Y257 HydrophobicContact CB-CE1 3.94Å; N168-Y257 HydrophobicContact CB-CG 3.63Å; N168-Y257 VanDerWaalsContact ND2-CD2 3.27Å; N168-Y257 WeakPolarHBondContact ND2-CD2 3.34Å; N168-Y257 WeakPolarHBondContact ND2-CE2 3.47Å; Y257-D259 HydrophobicContact CD1-CB 4.17Å; Y257-D259 PolarHBondContact O-N 2.97Å | ||
| 258 | N | 96.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -73.2 | 87.7 | -179 | -163.6 | 51.8 | 0 | 0 | 0 | 111.1 | D289 N293 D342 G344 P346 L348 | N258-D289 WeakPolarHBondContact CA-OD2 3.19Å; N258-D289 PolarHBondContact OD1-OD2 2.99Å; N258-D289 VanDerWaalsContact OD1-OD2 3.12Å; N258-N293 HydrophobicContact CB-CB 3.83Å; N258-N293 WeakPolarHBondContact OD1-CB 3.42Å; N258-N293 PolarHBondContact OD1-O 3.48Å; N258-D342 PolarHBondContact ND2-OD1 3.13Å; N258-D342 PolarHBondContact ND2-OD2 2.91Å; N258-D342 VanDerWaalsContact ND2-OD2 3.08Å; N258-D342 PolarHBondContact OD1-OD2 2.93Å; N258-G344 WeakPolarHBondContact ND2-CA 3.43Å; N258-P346 PolarHBondContact ND2-O 2.74Å; N258-L348 PolarHBondContact ND2-N 3.25Å; N258-L348 WeakPolarHBondContact O-CD1 3.17Å |
| 259 | D | 95.4 | Very high | 95.7 | Very high | 78 Ų | 78 | 39.6 Ų | 39.6 | 42% | 0.417 | 22% | 0.218 | S | C | . | . | trans | -123.6 | -9.3 | -179.3 | 83.8 | -18.8 | 0 | 0 | 0 | 113.8 | Y257 D289 | Y257-D259 HydrophobicContact CD1-CB 4.17Å; Y257-D259 PolarHBondContact O-N 2.97Å; D259-D289 PolarHBondContact N-OD2 3.23Å | ||
| 260 | N | 95.5 | Very high | 95.2 | Very high | 35 Ų | 35 | 41.7 Ų | 41.7 | 19% | 0.187 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -100.7 | 129 | 172.9 | -67.1 | -84.7 | 0 | 0 | 0 | 110.5 | D287 K288 D289 | N260-D287 WeakPolarHBondContact CB-OD1 3.32Å; N260-K288 HydrophobicContact CB-CB 4.16Å; N260-D289 VanDerWaalsContact CB-OD1 3.3Å; N260-D289 WeakPolarHBondContact CB-OD1 3.04Å; N260-D289 PolarHBondContact N-OD2 3.32Å; N260-D289 VanDerWaalsContact N-OD2 3.08Å; N260-D289 PolarHBondContact ND2-OD1 3.15Å |
| 261 | A | 95.9 | Very high | 94.6 | Very high | 40 Ų | 40 | 42 Ų | 42 | 33% | 0.331 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -83.8 | 140.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L348 N350 | A261-L348 HydrophobicContact CB-CB 4Å; A261-N350 HydrophobicContact CB-CB 3.95Å |
| 262 | P | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 164.1 | -175.2 | 25.2 | -34.7 | 0 | 0 | 0 | 113 | R286 D287 F297 I340 D342 N350 | P262-R286 CarbonylContact C-O 3.55Å; P262-R286 VanDerWaalsContact CA-O 3.29Å; P262-R286 WeakPolarHBondContact CA-O 3.42Å; P262-D287 VanDerWaalsContact CA-OD2 3.24Å; P262-D287 WeakPolarHBondContact CA-OD2 3.48Å; P262-D287 HydrophobicContact CB-CB 4.48Å; P262-D287 WeakPolarHBondContact CB-OD2 3.36Å; P262-D287 VanDerWaalsContact CD-OD2 3.28Å; P262-D287 WeakPolarHBondContact CD-OD2 3.38Å; P262-F297 HydrophobicContact CB-CD1 3.86Å; P262-F297 HydrophobicContact CB-CE1 3.73Å; P262-F297 HydrophobicContact CG-CD1 4.28Å; P262-F297 HydrophobicContact CG-CE1 4.46Å; P262-I340 HydrophobicContact CB-CD1 3.85Å; P262-I340 HydrophobicContact CB-CG1 3.88Å; P262-I340 HydrophobicContact CB-CG2 4.29Å; P262-I340 HydrophobicContact CG-CB 4.44Å; P262-I340 HydrophobicContact CG-CD1 4.36Å; P262-I340 HydrophobicContact CG-CG1 3.81Å; P262-I340 HydrophobicContact CG-CG2 4.15Å; P262-I340 VanDerWaalsContact O-CG2 3.25Å; P262-I340 WeakPolarHBondContact O-CG2 3.49Å; P262-D342 HydrophobicContact CG-CB 3.92Å; P262-N350 WeakPolarHBondContact O-CB 3.35Å |
| 263 | F | 95.2 | Very high | 92.6 | Very high | 85 Ų | 85 | 45.2 Ų | 45.2 | 37% | 0.373 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 162.2 | 172.4 | 65.3 | -85 | 0 | 0 | 0 | 112.5 | V265 G285 R286 T352 | F263-V265 HydrophobicContact CD2-CG1 3.96Å; F263-V265 HydrophobicContact CE2-CG1 3.64Å; F263-G285 CarbonylContact O-C 3.57Å; F263-G285 WeakPolarHBondContact O-CA 3.41Å; F263-R286 HydrophobicContact CD1-CB 4.28Å; F263-R286 WeakPolarHBondContact CD1-O 3.39Å; F263-R286 HydrophobicContact CD2-CB 4.2Å; F263-R286 HydrophobicContact CE1-CB 3.82Å; F263-R286 HydrophobicContact CE2-CB 3.74Å; F263-R286 HydrophobicContact CE2-CG 4.26Å; F263-R286 HydrophobicContact CG-CB 4.46Å; F263-R286 HydrophobicContact CZ-CB 3.53Å; F263-R286 HydrophobicContact CZ-CG 4.35Å; F263-R286 PolarHBondContact N-O 2.91Å; F263-R286 PolarHBondContact O-N 3.07Å; F263-T352 HydrophobicContact CB-CG2 3.78Å |
| 264 | V | 95.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 144.4 | -178.7 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | V283 A284 I299 L338 I340 T352 V354 | V264-V283 HydrophobicContact CB-CB 4.34Å; V264-A284 CarbonylContact C-O 3.57Å; V264-A284 WeakPolarHBondContact CA-O 3.45Å; V264-I299 HydrophobicContact CG1-CD1 4.11Å; V264-I299 HydrophobicContact CG1-CG2 4.32Å; V264-L338 HydrophobicContact CG1-CD1 4.41Å; V264-L338 HydrophobicContact CG2-CD1 4.32Å; V264-I340 HydrophobicContact CG1-CB 4.22Å; V264-I340 HydrophobicContact CG1-CD1 3.84Å; V264-I340 HydrophobicContact CG1-CG2 4.38Å; V264-T352 VanDerWaalsContact CG2-OG1 3.23Å; V264-T352 WeakPolarHBondContact CG2-OG1 3.01Å; V264-V354 HydrophobicContact CG2-CG2 3.65Å |
| 265 | V | 94.4 | Very high | 89.6 | Confident | 48 Ų | 48 | 48.4 Ų | 48.4 | 29% | 0.291 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 142.8 | 170 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | F263 V283 A284 R286 | F263-V265 HydrophobicContact CD2-CG1 3.96Å; F263-V265 HydrophobicContact CE2-CG1 3.64Å; V265-V283 CarbonylContact O-C 3.57Å; V265-V283 WeakPolarHBondContact O-CA 3.26Å; V265-A284 HydrophobicContact CG2-CB 4.1Å; V265-A284 PolarHBondContact N-O 2.92Å; V265-A284 PolarHBondContact O-N 2.98Å; V265-R286 HydrophobicContact CG1-CG 4.19Å; V265-R286 HydrophobicContact CG2-CG 3.66Å |
| 266 | P | 93.4 | Very high | 87.6 | Confident | 67 Ų | 67 | 46.2 Ų | 46.2 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | cis | -74.7 | 151.8 | -2.9 | 32.7 | -35.5 | 0 | 0 | 0 | 112.4 | V268 | P266-V268 PolarHBondContact O-N 2.76Š| ||
| 267 | S | 92.1 | Very high | 85.9 | Confident | 75 Ų | 75 | 50.9 Ų | 50.9 | 52% | 0.524 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -79.1 | -5.7 | 174.8 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | K355 | S267-K355 PolarHBondContact O-N 2.79Š|
| 268 | V | 91.1 | Very high | 84.8 | Confident | 60 Ų | 60 | 52.9 Ų | 52.9 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.7 | 176.7 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | P266 K355 Q357 | P266-V268 PolarHBondContact O-N 2.76Å; V268-K355 CarbonylContact C-O 3.56Å; V268-K355 WeakPolarHBondContact CA-O 3.33Å; V268-K355 HydrophobicContact CG2-CB 4.35Å; V268-Q357 HydrophobicContact CG1-CG 4.3Å |
| 269 | A | 89.4 | Confident | 83.8 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 146.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | V280 A281 V354 K355 V356 Q357 | A269-V280 HydrophobicContact CB-CG1 4.21Å; A269-A281 HydrophobicContact CB-CB 3.66Å; A269-V354 HydrophobicContact CB-CG1 4.1Å; A269-K355 PolarHBondContact N-O 3.44Å; A269-V356 HydrophobicContact CB-CG2 4.43Å; A269-V356 CarbonylContact O-C 3.57Å; A269-V356 WeakPolarHBondContact O-CA 3.11Å; A269-Q357 PolarHBondContact O-N 3.22Å |
| 270 | Q | 86.7 | Confident | 83.1 | Confident | 81 Ų | 81 | 53.7 Ų | 53.7 | 38% | 0.379 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.5 | 178.3 | -66.5 | -173.6 | -17.3 | 0 | 0 | 110.3 | Q357 R366 | Q270-Q357 WeakPolarHBondContact CA-O 3.27Å; Q270-Q357 HydrophobicContact CG-CB 4.2Å; Q270-R366 PolarHBondContact O-NH1 2.86Å |
| 271 | V | 86.8 | Confident | 82.8 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 148.9 | -179.6 | 68.7 | 0 | 0 | 0 | 0 | 110.2 | A275 V280 V356 Q357 V358 C359 | V271-A275 HydrophobicContact CG2-CB 3.98Å; V271-V280 HydrophobicContact CB-CG1 4.25Å; V271-V280 HydrophobicContact CG2-CG2 4.33Å; V271-V356 HydrophobicContact CG1-CG1 3.8Å; V271-Q357 PolarHBondContact N-O 2.69Å; V271-V358 HydrophobicContact CG1-CB 4.41Å; V271-V358 HydrophobicContact CG1-CG2 3.78Å; V271-V358 CarbonylContact O-C 3.32Å; V271-V358 WeakPolarHBondContact O-CA 3.39Å; V271-C359 PolarHBondContact O-N 3.04Å |
| 272 | C | 81.1 | Confident | 82.6 | Confident | 21 Ų | 21 | 54 Ų | 54 | 14% | 0.142 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 144.2 | 176.2 | -60 | 0 | 0 | 0 | 0 | 110.7 | D274 A275 C359 C361 R366 | C272-D274 WeakPolarHBondContact CB-OD1 3.26Å; C272-D274 PolarHBondContact O-N 2.97Å; C272-A275 HydrophobicContact CB-CB 4.36Å; C272-A275 VanDerWaalsContact O-CB 3.28Å; C272-A275 WeakPolarHBondContact O-CB 3.33Å; C272-A275 PolarHBondContact O-N 3.25Å; C272-A275 VanDerWaalsContact O-N 3.14Å; C272-C359 CarbonylContact C-O 3.54Å; C272-C359 WeakPolarHBondContact CA-O 3.47Å; C272-C361 WeakPolarHBondContact CA-SG 3.27Å; C272-C361 HydrophobicContact CB-CB 3.59Å; C272-C361 WeakPolarHBondContact CB-SG 3.45Å; C272-C361 WeakPolarHBondContact SG-CB 3.47Å; C272-C361 CovalentContact SG-SG 2.01Å; C272-C361 PolarHBondContact SG-SG 2.94Å; C272-R366 PolarHBondContact SG-NE 2.77Å |
| 273 | E | 75.2 | Confident | 82.5 | Confident | 74 Ų | 74 | 54 Ų | 54 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -26 | -179 | 68.7 | -176.7 | 163 | 0 | 0 | 113.9 | A275 V358 C359 I360 | E273-A275 VanDerWaalsContact C-N 3.34Å; E273-V358 HydrophobicContact CB-CG1 3.78Å; E273-C359 PolarHBondContact N-O 3.48Å; E273-I360 WeakPolarHBondContact OE1-CG1 3.35Å; E273-I360 WeakPolarHBondContact OE1-CG2 3.13Å |
| 274 | D | 70.3 | Confident | 82.5 | Confident | 119 Ų | 119 | 50.4 Ų | 50.4 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 0 | 178.6 | 60.3 | -25.5 | 0 | 0 | 0 | 113.3 | C272 G276 | C272-D274 WeakPolarHBondContact CB-OD1 3.26Å; C272-D274 PolarHBondContact O-N 2.97Å; D274-G276 PolarHBondContact O-N 2.76Å |
| 275 | A | 62.1 | Low | 82.5 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | trans | -80 | 86.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V271 C272 E273 M278 | V271-A275 HydrophobicContact CG2-CB 3.98Å; C272-A275 HydrophobicContact CB-CB 4.36Å; C272-A275 VanDerWaalsContact O-CB 3.28Å; C272-A275 WeakPolarHBondContact O-CB 3.33Å; C272-A275 PolarHBondContact O-N 3.25Å; C272-A275 VanDerWaalsContact O-N 3.14Å; E273-A275 VanDerWaalsContact C-N 3.34Å; A275-M278 HydrophobicContact CB-CB 3.99Å; A275-M278 HydrophobicContact CB-SD 4.13Å | ||
| 276 | G | 55.1 | Low | 82.6 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 56% | 0.557 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -82.9 | 131.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D274 | D274-G276 PolarHBondContact O-N 2.76Š|
| 277 | D | 60.5 | Low | 82.7 | Confident | 124 Ų | 124 | 53.1 Ų | 53.1 | 66% | 0.663 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 59.4 | 46.8 | 175.5 | -143.2 | 14.2 | 0 | 0 | 0 | 114 | ||
| 278 | M | 70.9 | Confident | 82.9 | Confident | 114 Ų | 114 | 56 Ų | 56 | 56% | 0.562 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 153 | -172.6 | -156.5 | 156.7 | -172.9 | 0 | 0 | 112.9 | A275 V280 L325 | A275-M278 HydrophobicContact CB-CB 3.99Å; A275-M278 HydrophobicContact CB-SD 4.13Å; M278-V280 PolarHBondContact O-N 2.88Å; M278-L325 PolarHBondContact O-N 2.99Å |
| 279 | N | 76.1 | Confident | 83.1 | Confident | 86 Ų | 86 | 53.5 Ų | 53.5 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 116.5 | 173.3 | -63.5 | -26.6 | 0 | 0 | 0 | 109.6 | Q322 | N279-Q322 HydrophobicContact CB-CG 4.44Å; N279-Q322 PolarHBondContact ND2-NE2 2.86Å; N279-Q322 PolarHBondContact OD1-NE2 2.91Å |
| 280 | V | 82.3 | Confident | 83.3 | Confident | 14 Ų | 14 | 57 Ų | 57 | 9% | 0.085 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -52.1 | -177.2 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | A269 V271 M278 W311 I323 L325 V356 | A269-V280 HydrophobicContact CB-CG1 4.21Å; V271-V280 HydrophobicContact CB-CG1 4.25Å; V271-V280 HydrophobicContact CG2-CG2 4.33Å; M278-V280 PolarHBondContact O-N 2.88Å; V280-W311 HydrophobicContact CB-CZ3 4.45Å; V280-W311 HydrophobicContact CG1-CZ3 4.09Å; V280-W311 HydrophobicContact CG2-CE3 4.4Å; V280-W311 HydrophobicContact CG2-CZ3 3.8Å; V280-I323 HydrophobicContact CB-CB 4.38Å; V280-I323 HydrophobicContact CB-CG2 4.17Å; V280-I323 WeakPolarHBondContact CB-O 3.35Å; V280-I323 HydrophobicContact CG1-CG2 4.45Å; V280-I323 PolarHBondContact N-O 3.43Å; V280-L325 HydrophobicContact CG2-CB 3.46Å; V280-L325 VanDerWaalsContact CG2-CB 3.46Å; V280-V356 HydrophobicContact CG1-CG1 3.89Å |
| 281 | A | 87.9 | Confident | 83.6 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 155.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | A269 I323 | A269-A281 HydrophobicContact CB-CB 3.66Å; A281-I323 PolarHBondContact N-O 3.23Å; A281-I323 PolarHBondContact O-N 3.23Å |
| 282 | V | 92.3 | Very high | 83.9 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 39% | 0.388 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123 | 161.2 | 177.5 | 0 | 0 | 0 | 0 | 106.4 | I316 H320 S321 | V282-I316 HydrophobicContact CB-CD1 4.4Å; V282-I316 HydrophobicContact CG1-CD1 3.69Å; V282-I316 HydrophobicContact CG2-CD1 3.86Å; V282-H320 HydrophobicContact CG1-CB 3.98Å; V282-S321 WeakPolarHBondContact CA-O 3.4Å |
| 283 | V | 94.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.3 | 174.9 | -67.5 | 0 | 0 | 0 | 0 | 109.6 | V264 V265 I299 H320 S321 I323 L338 V354 | V264-V283 HydrophobicContact CB-CB 4.34Å; V265-V283 CarbonylContact O-C 3.57Å; V265-V283 WeakPolarHBondContact O-CA 3.26Å; V283-I299 HydrophobicContact CG2-CD1 4.23Å; V283-H320 CarbonylContact O-C 3.55Å; V283-H320 VanDerWaalsContact O-CA 3.28Å; V283-H320 WeakPolarHBondContact O-CA 3.32Å; V283-S321 WeakPolarHBondContact CG2-O 3.48Å; V283-S321 PolarHBondContact N-O 2.79Å; V283-S321 PolarHBondContact O-N 2.89Å; V283-I323 HydrophobicContact CB-CD1 4.47Å; V283-I323 HydrophobicContact CG1-CD1 3.56Å; V283-I323 HydrophobicContact CG1-CG1 4.41Å; V283-I323 HydrophobicContact CG2-CD1 4.06Å; V283-I323 HydrophobicContact CG2-CG1 4.19Å; V283-L338 HydrophobicContact CG2-CD1 4.36Å; V283-V354 HydrophobicContact CG1-CG2 4.31Å |
| 284 | A | 95.5 | Very high | 85.5 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | V264 V265 T319 | V264-A284 CarbonylContact C-O 3.57Å; V264-A284 WeakPolarHBondContact CA-O 3.45Å; V265-A284 HydrophobicContact CG2-CB 4.1Å; V265-A284 PolarHBondContact N-O 2.92Å; V265-A284 PolarHBondContact O-N 2.98Å; A284-T319 CarbonylContact C-O 3.57Å; A284-T319 WeakPolarHBondContact CA-O 3.33Å |
| 285 | G | 95.3 | Very high | 86.6 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 144.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F263 F297 T319 | F263-G285 CarbonylContact O-C 3.57Å; F263-G285 WeakPolarHBondContact O-CA 3.41Å; G285-F297 VanDerWaalsContact CA-CD2 3.45Å; G285-F297 WeakPolarHBondContact O-CE2 3.49Å; G285-T319 PolarHBondContact N-O 2.88Å |
| 286 | R | 96 | Very high | 88.2 | Confident | 145 Ų | 145 | 56.8 Ų | 56.8 | 55% | 0.547 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.3 | 175.1 | -66.5 | -64.1 | -177.6 | 161.6 | -0.8 | 108.1 | P262 F263 V265 | P262-R286 CarbonylContact C-O 3.55Å; P262-R286 VanDerWaalsContact CA-O 3.29Å; P262-R286 WeakPolarHBondContact CA-O 3.42Å; F263-R286 HydrophobicContact CD1-CB 4.28Å; F263-R286 WeakPolarHBondContact CD1-O 3.39Å; F263-R286 HydrophobicContact CD2-CB 4.2Å; F263-R286 HydrophobicContact CE1-CB 3.82Å; F263-R286 HydrophobicContact CE2-CB 3.74Å; F263-R286 HydrophobicContact CE2-CG 4.26Å; F263-R286 HydrophobicContact CG-CB 4.46Å; F263-R286 HydrophobicContact CZ-CB 3.53Å; F263-R286 HydrophobicContact CZ-CG 4.35Å; F263-R286 PolarHBondContact N-O 2.91Å; F263-R286 PolarHBondContact O-N 3.07Å; V265-R286 HydrophobicContact CG1-CG 4.19Å; V265-R286 HydrophobicContact CG2-CG 3.66Å |
| 287 | D | 96.4 | Very high | 90.2 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 16% | 0.16 | 31% | 0.306 | C | S | . | . | trans | -138.4 | 156.1 | 174.4 | -143.5 | -49.5 | 0 | 0 | 0 | 108.4 | N260 P262 D289 A294 F297 | N260-D287 WeakPolarHBondContact CB-OD1 3.32Å; P262-D287 VanDerWaalsContact CA-OD2 3.24Å; P262-D287 WeakPolarHBondContact CA-OD2 3.48Å; P262-D287 HydrophobicContact CB-CB 4.48Å; P262-D287 WeakPolarHBondContact CB-OD2 3.36Å; P262-D287 VanDerWaalsContact CD-OD2 3.28Å; P262-D287 WeakPolarHBondContact CD-OD2 3.38Å; D287-D289 PolarHBondContact OD1-N 2.89Å; D287-A294 HydrophobicContact CB-CB 3.65Å; D287-F297 HydrophobicContact CB-CE1 3.97Å; D287-F297 HydrophobicContact CB-CZ 3.95Å | ||
| 288 | K | 95.3 | Very high | 91.8 | Very high | 134 Ų | 134 | 53.3 Ų | 53.3 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -86.2 | -22.2 | 172.6 | -64.5 | -175.5 | -178.9 | 173 | 0 | 111.9 | R220 E221 N260 | R220-K288 PolarHBondContact NH2-O 2.84Å; E221-K288 HydrophobicContact CB-CB 4.46Å; E221-K288 HydrophobicContact CB-CD 4.33Å; E221-K288 HydrophobicContact CG-CB 3.66Å; E221-K288 HydrophobicContact CG-CD 4.35Å; N260-K288 HydrophobicContact CB-CB 4.16Å |
| 289 | D | 96.3 | Very high | 93 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.043 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -70.4 | 158.8 | 179.2 | -60.6 | -9.5 | 0 | 0 | 0 | 110.9 | N258 D259 N260 D287 N293 A294 | N258-D289 WeakPolarHBondContact CA-OD2 3.19Å; N258-D289 PolarHBondContact OD1-OD2 2.99Å; N258-D289 VanDerWaalsContact OD1-OD2 3.12Å; D259-D289 PolarHBondContact N-OD2 3.23Å; N260-D289 VanDerWaalsContact CB-OD1 3.3Å; N260-D289 WeakPolarHBondContact CB-OD1 3.04Å; N260-D289 PolarHBondContact N-OD2 3.32Å; N260-D289 VanDerWaalsContact N-OD2 3.08Å; N260-D289 PolarHBondContact ND2-OD1 3.15Å; D287-D289 PolarHBondContact OD1-N 2.89Å; D289-N293 HydrophobicContact CB-CB 3.86Å; D289-A294 WeakPolarHBondContact O-CB 3.35Å |
| 290 | L | 93.6 | Very high | 93.9 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 41% | 0.414 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 168.3 | 176.1 | -70.7 | 174.9 | 0 | 0 | 0 | 111.7 | D256 N293 A294 | D256-L290 HydrophobicContact CB-CB 4.39Å; D256-L290 PolarHBondContact OD1-N 2.89Å; D256-L290 PolarHBondContact OD2-N 3.1Å; D256-L290 VanDerWaalsContact OD2-N 3.15Å; L290-N293 WeakPolarHBondContact O-CA 3.48Å; L290-N293 WeakPolarHBondContact O-CB 3.3Å; L290-N293 PolarHBondContact O-N 3.13Å; L290-A294 PolarHBondContact O-N 2.86Å; L290-A294 VanDerWaalsContact O-N 3.08Å |
| 291 | A | 91.9 | Very high | 94.5 | Very high | 87 Ų | 87 | 49.6 Ų | 49.6 | 72% | 0.719 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 134.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 292 | P | 93.9 | Very high | 94.6 | Very high | 96 Ų | 96 | 49.3 Ų | 49.3 | 62% | 0.623 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -95 | 2.7 | 13.9 | 37.4 | -36.7 | 0 | 0 | 0 | 116.1 | S343 | P292-S343 PolarHBondContact O-OG 2.8Š|
| 293 | N | 95.1 | Very high | 94.2 | Very high | 22 Ų | 22 | 56.3 Ų | 56.3 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -25.6 | -174.1 | -66.2 | -31.6 | 0 | 0 | 0 | 113.2 | D256 N258 D289 L290 D342 G344 | D256-N293 PolarHBondContact O-ND2 2.77Å; D256-N293 PolarHBondContact OD2-ND2 3.2Å; N258-N293 HydrophobicContact CB-CB 3.83Å; N258-N293 WeakPolarHBondContact OD1-CB 3.42Å; N258-N293 PolarHBondContact OD1-O 3.48Å; D289-N293 HydrophobicContact CB-CB 3.86Å; L290-N293 WeakPolarHBondContact O-CA 3.48Å; L290-N293 WeakPolarHBondContact O-CB 3.3Å; L290-N293 PolarHBondContact O-N 3.13Å; N293-D342 WeakPolarHBondContact O-CB 3.41Å; N293-G344 PolarHBondContact O-N 3.3Å |
| 294 | A | 94.3 | Very high | 93.8 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -84 | -106.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | D287 D289 L290 F297 S343 | D287-A294 HydrophobicContact CB-CB 3.65Å; D289-A294 WeakPolarHBondContact O-CB 3.35Å; L290-A294 PolarHBondContact O-N 2.86Å; L290-A294 VanDerWaalsContact O-N 3.08Å; A294-F297 HydrophobicContact CB-CE1 4.43Å; A294-F297 HydrophobicContact CB-CZ 4.22Å; A294-F297 WeakPolarHBondContact O-CE1 3.44Å; A294-S343 PolarHBondContact O-N 2.82Å; A294-S343 PolarHBondContact O-OG 2.67Å |
| 295 | A | 93.8 | Very high | 93.3 | Very high | 32 Ų | 32 | 67.3 Ų | 67.3 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 146.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F297 T319 S343 | A295-F297 HydrophobicContact CB-CD2 4.06Å; A295-F297 HydrophobicContact CB-CE2 3.69Å; A295-F297 HydrophobicContact CB-CZ 3.95Å; A295-T319 HydrophobicContact CB-CG2 3.68Å; A295-S343 PolarHBondContact O-OG 3.3Å |
| 296 | P | 95.7 | Very high | 92.7 | Very high | 61 Ų | 61 | 68.4 Ų | 68.4 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | S | Bend | cis | -83.4 | 135.6 | 17.4 | -17.8 | 33.7 | 0 | 0 | 0 | 116.9 | S318 S343 | P296-S318 CarbonylContact C-O 3.57Å; P296-S318 WeakPolarHBondContact CA-O 3.34Å; P296-S343 WeakPolarHBondContact CD-OG 3.44Å |
| 297 | F | 95.9 | Very high | 92.3 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -88.3 | 136.2 | -179.8 | -56 | -62.5 | 0 | 0 | 0 | 113.2 | P262 G285 D287 A294 A295 I299 R315 S318 T319 I340 T341 D342 | P262-F297 HydrophobicContact CB-CD1 3.86Å; P262-F297 HydrophobicContact CB-CE1 3.73Å; P262-F297 HydrophobicContact CG-CD1 4.28Å; P262-F297 HydrophobicContact CG-CE1 4.46Å; G285-F297 VanDerWaalsContact CA-CD2 3.45Å; G285-F297 WeakPolarHBondContact O-CE2 3.49Å; D287-F297 HydrophobicContact CB-CE1 3.97Å; D287-F297 HydrophobicContact CB-CZ 3.95Å; A294-F297 HydrophobicContact CB-CE1 4.43Å; A294-F297 HydrophobicContact CB-CZ 4.22Å; A294-F297 WeakPolarHBondContact O-CE1 3.44Å; A295-F297 HydrophobicContact CB-CD2 4.06Å; A295-F297 HydrophobicContact CB-CE2 3.69Å; A295-F297 HydrophobicContact CB-CZ 3.95Å; F297-I299 HydrophobicContact CB-CG1 4.32Å; F297-R315 VanDerWaalsContact C-NH2 3.3Å; F297-R315 PolarHBondContact O-NE 3.02Å; F297-R315 PolarHBondContact O-NH2 2.8Å; F297-S318 PolarHBondContact N-O 3.42Å; F297-T319 HydrophobicContact CD2-CG2 4.44Å; F297-T319 HydrophobicContact CE2-CG2 4.31Å; F297-I340 HydrophobicContact CB-CD1 4Å; F297-I340 HydrophobicContact CB-CG1 4.14Å; F297-I340 HydrophobicContact CD1-CD1 4.21Å; F297-I340 HydrophobicContact CD1-CG1 4.44Å; F297-I340 HydrophobicContact CG-CD1 4.05Å; F297-I340 HydrophobicContact CG-CG1 4.49Å; F297-T341 CarbonylContact C-O 3.57Å; F297-T341 WeakPolarHBondContact CA-O 3.31Å; F297-D342 HydrophobicContact CD1-CB 4.47Å; F297-D342 HydrophobicContact CE1-CB 4.44Å |
| 298 | K | 95.4 | Very high | 91.8 | Very high | 98 Ų | 98 | 65.9 Ų | 65.9 | 43% | 0.426 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 110.1 | 167.3 | -167.2 | -169.3 | -172.7 | -143.9 | 0 | 108.8 | E300 I340 T341 | K298-E300 WeakPolarHBondContact CE-OE1 3.19Å; K298-E300 WeakPolarHBondContact CE-OE2 3.42Å; K298-E300 HydrophobicContact CG-CG 4.29Å; K298-E300 IonicContact NZ-OE1 3.77Å; K298-E300 PolarHBondContact NZ-OE1 3.26Å; K298-E300 IonicContact NZ-OE2 3.28Å; K298-E300 PolarHBondContact NZ-OE2 3.46Å; K298-I340 CarbonylContact O-C 3.52Å; K298-I340 WeakPolarHBondContact O-CA 3.19Å; K298-T341 PolarHBondContact N-O 2.99Å; K298-T341 PolarHBondContact O-N 3.24Å |
| 299 | I | 95.6 | Very high | 91.4 | Very high | 12 Ų | 12 | 66.1 Ų | 66.1 | 6% | 0.062 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.7 | -179.8 | -53.9 | 174.5 | 0 | 0 | 0 | 108.7 | V264 V283 F297 V313 L338 L339 I340 | V264-I299 HydrophobicContact CG1-CD1 4.11Å; V264-I299 HydrophobicContact CG1-CG2 4.32Å; V283-I299 HydrophobicContact CG2-CD1 4.23Å; F297-I299 HydrophobicContact CB-CG1 4.32Å; I299-V313 HydrophobicContact CB-CG1 4.47Å; I299-V313 HydrophobicContact CG2-CG1 4.18Å; I299-V313 WeakPolarHBondContact O-CG1 3.43Å; I299-L338 HydrophobicContact CG2-CB 4.32Å; I299-L338 HydrophobicContact CG2-CD1 4.18Å; I299-L339 CarbonylContact C-O 3.55Å; I299-L339 WeakPolarHBondContact CA-O 3.44Å; I299-I340 HydrophobicContact CD1-CD1 4.01Å; I299-I340 HydrophobicContact CG1-CB 4.28Å; I299-I340 HydrophobicContact CG1-CD1 3.83Å; I299-I340 HydrophobicContact CG1-CG1 3.84Å |
| 300 | E | 94.8 | Very high | 91 | Very high | 79 Ų | 79 | 67.3 Ų | 67.3 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 164 | -177.1 | -67 | 179.1 | 124.3 | 0 | 0 | 110.9 | K298 L338 L339 | K298-E300 WeakPolarHBondContact CE-OE1 3.19Å; K298-E300 WeakPolarHBondContact CE-OE2 3.42Å; K298-E300 HydrophobicContact CG-CG 4.29Å; K298-E300 IonicContact NZ-OE1 3.77Å; K298-E300 PolarHBondContact NZ-OE1 3.26Å; K298-E300 IonicContact NZ-OE2 3.28Å; K298-E300 PolarHBondContact NZ-OE2 3.46Å; E300-L338 CarbonylContact O-C 3.53Å; E300-L338 VanDerWaalsContact O-CA 3.31Å; E300-L338 WeakPolarHBondContact O-CA 3.19Å; E300-L339 PolarHBondContact N-O 2.68Å; E300-L339 PolarHBondContact O-N 2.78Å |
| 301 | L | 94.4 | Very high | 90.8 | Very high | 44 Ų | 44 | 64 Ų | 64 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 141.3 | 171.6 | -70.5 | 176.2 | 0 | 0 | 0 | 110.5 | L307 D308 W311 V313 L336 L338 | L301-L307 HydrophobicContact CB-CD2 4Å; L301-L307 HydrophobicContact CD2-CD2 3.94Å; L301-L307 HydrophobicContact CD2-CG 4.21Å; L301-L307 HydrophobicContact CG-CD2 4.45Å; L301-D308 HydrophobicContact CD1-CB 4.5Å; L301-W311 HydrophobicContact CD1-CB 4.47Å; L301-W311 WeakPolarHBondContact CD1-O 3.23Å; L301-W311 HydrophobicContact CD2-CB 3.88Å; L301-V313 HydrophobicContact CD2-CG2 3.67Å; L301-V313 HydrophobicContact CG-CG2 4.01Å; L301-L336 HydrophobicContact CD2-CD1 3.81Å; L301-L338 HydrophobicContact CD2-CD2 4.17Å |
| 302 | G | 90.7 | Very high | 90.8 | Very high | 11 Ų | 11 | 66.2 Ų | 66.2 | 11% | 0.113 | 35% | 0.348 | C | S | . | . | trans | -64.5 | 165.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q304 P337 | G302-Q304 PolarHBondContact O-N 2.97Å; G302-P337 PolarHBondContact N-O 3.42Å | ||
| 303 | K | 84.3 | Confident | 90.8 | Very high | 211 Ų | 211 | 63 Ų | 63 | 92% | 0.917 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -78.1 | 51.7 | -176.5 | -63.6 | -176.9 | 179.8 | 177 | 0 | 113.5 | ||
| 304 | Q | 85.3 | Confident | 90.7 | Very high | 105 Ų | 105 | 64.5 Ų | 64.5 | 49% | 0.491 | 34% | 0.336 | S | S | . | . | trans | -104.7 | 132.2 | 174.4 | -73 | -172.9 | -15.6 | 0 | 0 | 111.4 | G302 G306 L307 P337 | G302-Q304 PolarHBondContact O-N 2.97Å; Q304-G306 PolarHBondContact O-N 3.33Å; Q304-L307 HydrophobicContact CB-CB 4.41Å; Q304-L307 HydrophobicContact CB-CD2 4.43Å; Q304-L307 WeakPolarHBondContact O-CB 3.41Å; Q304-L307 PolarHBondContact O-N 2.96Å; Q304-P337 HydrophobicContact CG-CG 4Å | ||
| 305 | P | 84.6 | Confident | 90.7 | Very high | 135 Ų | 135 | 70.8 Ų | 70.8 | 88% | 0.877 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 131.2 | 179.5 | -20.9 | 31.1 | 0 | 0 | 0 | 112.4 | L307 | P305-L307 VanDerWaalsContact C-N 3.3Å; P305-L307 PolarHBondContact O-N 3.38Å |
| 306 | G | 83.9 | Confident | 90.8 | Very high | 29 Ų | 29 | 73.3 Ų | 73.3 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 2.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q304 D308 K309 T310 | Q304-G306 PolarHBondContact O-N 3.33Å; G306-D308 VanDerWaalsContact C-N 3.28Å; G306-D308 WeakPolarHBondContact CA-OD1 3.18Å; G306-D308 PolarHBondContact O-N 2.99Å; G306-K309 PolarHBondContact O-N 2.83Å; G306-T310 PolarHBondContact O-OG1 2.65Å |
| 307 | L | 86.8 | Confident | 90.7 | Very high | 17 Ų | 17 | 73.8 Ų | 73.8 | 9% | 0.089 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64 | -36.5 | 176.2 | -155.7 | 71.6 | 0 | 0 | 0 | 111.2 | L301 Q304 P305 K309 T310 W311 L336 P337 | L301-L307 HydrophobicContact CB-CD2 4Å; L301-L307 HydrophobicContact CD2-CD2 3.94Å; L301-L307 HydrophobicContact CD2-CG 4.21Å; L301-L307 HydrophobicContact CG-CD2 4.45Å; Q304-L307 HydrophobicContact CB-CB 4.41Å; Q304-L307 HydrophobicContact CB-CD2 4.43Å; Q304-L307 WeakPolarHBondContact O-CB 3.41Å; Q304-L307 PolarHBondContact O-N 2.96Å; P305-L307 VanDerWaalsContact C-N 3.3Å; P305-L307 PolarHBondContact O-N 3.38Å; L307-K309 VanDerWaalsContact C-N 3.26Å; L307-K309 PolarHBondContact O-N 2.78Å; L307-T310 PolarHBondContact O-N 3.44Å; L307-T310 VanDerWaalsContact O-N 3.14Å; L307-W311 PolarHBondContact O-N 2.64Å; L307-L336 HydrophobicContact CD1-CD1 3.91Å; L307-L336 HydrophobicContact CD2-CD1 3.88Å; L307-L336 HydrophobicContact CG-CD1 3.96Å; L307-P337 HydrophobicContact CD2-CG 3.97Å |
| 308 | D | 86.1 | Confident | 90.6 | Very high | 105 Ų | 105 | 76.4 Ų | 76.4 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.2 | -24.1 | 175.9 | 63.2 | -56.6 | 0 | 0 | 0 | 114.1 | L301 G306 T310 L326 | L301-D308 HydrophobicContact CD1-CB 4.5Å; G306-D308 VanDerWaalsContact C-N 3.28Å; G306-D308 WeakPolarHBondContact CA-OD1 3.18Å; G306-D308 PolarHBondContact O-N 2.99Å; D308-T310 VanDerWaalsContact C-N 3.35Å; D308-L326 WeakPolarHBondContact O-CD1 3.43Å |
| 309 | K | 87.2 | Confident | 90.6 | Very high | 139 Ų | 139 | 73.7 Ų | 73.7 | 60% | 0.604 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -79.2 | -22.5 | 175.5 | -61.4 | -177.2 | 179.7 | 179.1 | 0 | 112.6 | G306 L307 Q327 | G306-K309 PolarHBondContact O-N 2.83Å; L307-K309 VanDerWaalsContact C-N 3.26Å; L307-K309 PolarHBondContact O-N 2.78Å; K309-Q327 PolarHBondContact O-NE2 2.92Å |
| 310 | T | 87.7 | Confident | 90.6 | Very high | 32 Ų | 32 | 76.3 Ų | 76.3 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -106.7 | -39.3 | -173 | -50.1 | 0 | 0 | 0 | 0 | 111.5 | G306 L307 D308 L325 L326 L329 | G306-T310 PolarHBondContact O-OG1 2.65Å; L307-T310 PolarHBondContact O-N 3.44Å; L307-T310 VanDerWaalsContact O-N 3.14Å; D308-T310 VanDerWaalsContact C-N 3.35Å; T310-L325 HydrophobicContact CG2-CD1 4.11Å; T310-L326 PolarHBondContact O-N 2.78Å; T310-L329 HydrophobicContact CG2-CD1 4.26Å; T310-L329 HydrophobicContact CG2-CD2 3.93Å; T310-L329 HydrophobicContact CG2-CG 4.4Å |
| 311 | W | 90.4 | Very high | 90.6 | Very high | 11 Ų | 11 | 72.7 Ų | 72.7 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 150.6 | -173.2 | -54.5 | 97.6 | 0 | 0 | 0 | 110.6 | V280 L301 L307 I323 M324 L325 L329 L336 V356 | V280-W311 HydrophobicContact CB-CZ3 4.45Å; V280-W311 HydrophobicContact CG1-CZ3 4.09Å; V280-W311 HydrophobicContact CG2-CE3 4.4Å; V280-W311 HydrophobicContact CG2-CZ3 3.8Å; L301-W311 HydrophobicContact CD1-CB 4.47Å; L301-W311 WeakPolarHBondContact CD1-O 3.23Å; L301-W311 HydrophobicContact CD2-CB 3.88Å; L307-W311 PolarHBondContact O-N 2.64Å; W311-I323 HydrophobicContact CE3-CG2 3.9Å; W311-I323 HydrophobicContact CZ3-CG2 4.38Å; W311-M324 WeakPolarHBondContact CA-O 3.37Å; W311-L325 HydrophobicContact CD2-CD1 4.23Å; W311-L325 HydrophobicContact CE3-CD1 3.86Å; W311-L325 HydrophobicContact CH2-CD1 3.74Å; W311-L325 HydrophobicContact CZ2-CD1 4.14Å; W311-L325 HydrophobicContact CZ3-CB 4.31Å; W311-L325 HydrophobicContact CZ3-CD1 3.61Å; W311-L329 HydrophobicContact CH2-CD1 3.6Å; W311-L329 HydrophobicContact CZ2-CD1 3.39Å; W311-L336 HydrophobicContact CB-CD1 4.16Å; W311-L336 HydrophobicContact CD2-CD1 4.12Å; W311-L336 HydrophobicContact CD2-CD2 4.09Å; W311-L336 HydrophobicContact CE3-CD2 4.12Å; W311-L336 HydrophobicContact CG-CD1 3.71Å; W311-L336 HydrophobicContact CG-CD2 4.34Å; W311-V356 HydrophobicContact CH2-CB 3.92Å; W311-V356 HydrophobicContact CH2-CG1 3.7Å; W311-V356 HydrophobicContact CH2-CG2 3.85Å; W311-V356 HydrophobicContact CZ2-CG2 4.41Å; W311-V356 HydrophobicContact CZ3-CG1 4.24Å; W311-V356 HydrophobicContact CZ3-CG2 4.2Å |
| 312 | R | 91.8 | Very high | 90.6 | Very high | 133 Ų | 133 | 72.5 Ų | 72.5 | 50% | 0.502 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 136.2 | 168.6 | 178.5 | -178.1 | -64.3 | 176.3 | 2.5 | 109 | T314 M324 L326 | R312-T314 HydrophobicContact CG-CG2 4.1Å; R312-M324 HydrophobicContact CB-CB 4.29Å; R312-M324 PolarHBondContact N-O 2.76Å; R312-M324 PolarHBondContact O-N 3.49Å; R312-L326 HydrophobicContact CB-CD1 4.22Å; R312-L326 HydrophobicContact CB-CD2 4.1Å; R312-L326 HydrophobicContact CB-CG 4.23Å |
| 313 | V | 93.8 | Very high | 90.7 | Very high | 29 Ų | 29 | 72 Ų | 72 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.5 | 173.2 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | I299 L301 Q322 I323 L338 | I299-V313 HydrophobicContact CB-CG1 4.47Å; I299-V313 HydrophobicContact CG2-CG1 4.18Å; I299-V313 WeakPolarHBondContact O-CG1 3.43Å; L301-V313 HydrophobicContact CD2-CG2 3.67Å; L301-V313 HydrophobicContact CG-CG2 4.01Å; V313-Q322 VanDerWaalsContact CA-O 3.31Å; V313-Q322 WeakPolarHBondContact CA-O 3.43Å; V313-I323 HydrophobicContact CG2-CG1 4.49Å; V313-L338 HydrophobicContact CG2-CD2 3.89Å |
| 314 | T | 93.1 | Very high | 90.9 | Very high | 52 Ų | 52 | 63.7 Ų | 63.7 | 32% | 0.319 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133.5 | 176.6 | 50.7 | 0 | 0 | 0 | 0 | 109.8 | R312 I316 S321 Q322 | R312-T314 HydrophobicContact CG-CG2 4.1Å; T314-I316 PolarHBondContact O-N 2.92Å; T314-S321 CarbonylContact O-C 3.49Å; T314-S321 VanDerWaalsContact O-CA 3.27Å; T314-S321 WeakPolarHBondContact O-CA 3.34Å; T314-S321 WeakPolarHBondContact O-CB 3.35Å; T314-Q322 PolarHBondContact N-O 2.88Å; T314-Q322 PolarHBondContact O-N 2.89Å |
| 315 | R | 94.3 | Very high | 91 | Very high | 143 Ų | 143 | 58.8 Ų | 58.8 | 54% | 0.54 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 129.7 | 175.4 | -176.8 | -177.6 | -84.1 | 178.2 | -4.7 | 109.3 | F297 N317 | F297-R315 VanDerWaalsContact C-NH2 3.3Å; F297-R315 PolarHBondContact O-NE 3.02Å; F297-R315 PolarHBondContact O-NH2 2.8Å; R315-N317 WeakPolarHBondContact CD-O 3.22Å; R315-N317 WeakPolarHBondContact CG-O 3.36Å |
| 316 | I | 94.3 | Very high | 91.1 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 44% | 0.436 | 28% | 0.276 | S | S | . | . | trans | -91.3 | -51.1 | 172.9 | -65.6 | 162.6 | 0 | 0 | 0 | 109.9 | V282 T314 H320 Q322 | V282-I316 HydrophobicContact CB-CD1 4.4Å; V282-I316 HydrophobicContact CG1-CD1 3.69Å; V282-I316 HydrophobicContact CG2-CD1 3.86Å; T314-I316 PolarHBondContact O-N 2.92Å; I316-H320 HydrophobicContact CB-CB 4.44Å; I316-H320 PolarHBondContact N-O 3.38Å; I316-Q322 HydrophobicContact CD1-CB 3.72Å; I316-Q322 HydrophobicContact CG1-CB 3.94Å | ||
| 317 | N | 95.1 | Very high | 91 | Very high | 72 Ų | 72 | 58.5 Ų | 58.5 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -147.4 | -166 | -179.7 | 63.5 | 37.8 | 0 | 0 | 0 | 109.9 | R315 T319 H320 | R315-N317 WeakPolarHBondContact CD-O 3.22Å; R315-N317 WeakPolarHBondContact CG-O 3.36Å; N317-T319 PolarHBondContact O-N 2.9Å; N317-T319 PolarHBondContact OD1-N 2.89Å; N317-T319 PolarHBondContact OD1-OG1 2.88Å; N317-T319 VanDerWaalsContact OD1-OG1 3.12Å; N317-H320 PolarHBondContact N-O 3.04Å; N317-H320 WeakPolarHBondContact OD1-CB 3.15Å; N317-H320 PolarHBondContact OD1-N 2.93Å; N317-H320 PolarHBondContact OD1-ND1 2.88Å |
| 318 | S | 93.3 | Very high | 90.6 | Very high | 62 Ų | 62 | 62 Ų | 62 | 43% | 0.434 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -63.7 | -23.6 | -178.9 | 53 | 0 | 0 | 0 | 0 | 114.2 | P296 F297 | P296-S318 CarbonylContact C-O 3.57Å; P296-S318 WeakPolarHBondContact CA-O 3.34Å; F297-S318 PolarHBondContact N-O 3.42Å |
| 319 | T | 95.5 | Very high | 90.4 | Very high | 42 Ų | 42 | 58.3 Ų | 58.3 | 26% | 0.258 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -117.2 | -22.9 | -174.3 | 50.1 | 0 | 0 | 0 | 0 | 114.2 | A284 G285 A295 F297 N317 | A284-T319 CarbonylContact C-O 3.57Å; A284-T319 WeakPolarHBondContact CA-O 3.33Å; G285-T319 PolarHBondContact N-O 2.88Å; A295-T319 HydrophobicContact CB-CG2 3.68Å; F297-T319 HydrophobicContact CD2-CG2 4.44Å; F297-T319 HydrophobicContact CE2-CG2 4.31Å; N317-T319 PolarHBondContact O-N 2.9Å; N317-T319 PolarHBondContact OD1-N 2.89Å; N317-T319 PolarHBondContact OD1-OG1 2.88Å; N317-T319 VanDerWaalsContact OD1-OG1 3.12Å |
| 320 | H | 95.6 | Very high | 90.2 | Very high | 67 Ų | 67 | 60.1 Ų | 60.1 | 31% | 0.31 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 140.9 | -172.4 | -63.9 | 69.7 | 0 | 0 | 0 | 112.2 | V282 V283 I316 N317 | V282-H320 HydrophobicContact CG1-CB 3.98Å; V283-H320 CarbonylContact O-C 3.55Å; V283-H320 VanDerWaalsContact O-CA 3.28Å; V283-H320 WeakPolarHBondContact O-CA 3.32Å; I316-H320 HydrophobicContact CB-CB 4.44Å; I316-H320 PolarHBondContact N-O 3.38Å; N317-H320 PolarHBondContact N-O 3.04Å; N317-H320 WeakPolarHBondContact OD1-CB 3.15Å; N317-H320 PolarHBondContact OD1-N 2.93Å; N317-H320 PolarHBondContact OD1-ND1 2.88Å |
| 321 | S | 95.3 | Very high | 90 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.014 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 146.3 | 170.2 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | V282 V283 T314 | V282-S321 WeakPolarHBondContact CA-O 3.4Å; V283-S321 WeakPolarHBondContact CG2-O 3.48Å; V283-S321 PolarHBondContact N-O 2.79Å; V283-S321 PolarHBondContact O-N 2.89Å; T314-S321 CarbonylContact O-C 3.49Å; T314-S321 VanDerWaalsContact O-CA 3.27Å; T314-S321 WeakPolarHBondContact O-CA 3.34Å; T314-S321 WeakPolarHBondContact O-CB 3.35Å |
| 322 | Q | 93.9 | Very high | 89.7 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 19% | 0.192 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 133.9 | 176 | -176.3 | 157.7 | 57.7 | 0 | 0 | 110.3 | N279 V313 T314 I316 M324 | N279-Q322 HydrophobicContact CB-CG 4.44Å; N279-Q322 PolarHBondContact ND2-NE2 2.86Å; N279-Q322 PolarHBondContact OD1-NE2 2.91Å; V313-Q322 VanDerWaalsContact CA-O 3.31Å; V313-Q322 WeakPolarHBondContact CA-O 3.43Å; T314-Q322 PolarHBondContact N-O 2.88Å; T314-Q322 PolarHBondContact O-N 2.89Å; I316-Q322 HydrophobicContact CD1-CB 3.72Å; I316-Q322 HydrophobicContact CG1-CB 3.94Å; Q322-M324 HydrophobicContact CG-CG 4.09Å |
| 323 | I | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.9 | 171.2 | -56 | 172.4 | 0 | 0 | 0 | 107.4 | V280 A281 V283 W311 V313 L336 L338 | V280-I323 HydrophobicContact CB-CB 4.38Å; V280-I323 HydrophobicContact CB-CG2 4.17Å; V280-I323 WeakPolarHBondContact CB-O 3.35Å; V280-I323 HydrophobicContact CG1-CG2 4.45Å; V280-I323 PolarHBondContact N-O 3.43Å; A281-I323 PolarHBondContact N-O 3.23Å; A281-I323 PolarHBondContact O-N 3.23Å; V283-I323 HydrophobicContact CB-CD1 4.47Å; V283-I323 HydrophobicContact CG1-CD1 3.56Å; V283-I323 HydrophobicContact CG1-CG1 4.41Å; V283-I323 HydrophobicContact CG2-CD1 4.06Å; V283-I323 HydrophobicContact CG2-CG1 4.19Å; W311-I323 HydrophobicContact CE3-CG2 3.9Å; W311-I323 HydrophobicContact CZ3-CG2 4.38Å; V313-I323 HydrophobicContact CG2-CG1 4.49Å; I323-L336 HydrophobicContact CD1-CD2 4.08Å; I323-L336 HydrophobicContact CG2-CD2 3.65Å; I323-L338 HydrophobicContact CD1-CD1 3.94Å |
| 324 | M | 89.1 | Confident | 89.3 | Confident | 36 Ų | 36 | 63.2 Ų | 63.2 | 18% | 0.177 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 143.4 | 177.9 | -57.8 | -179.2 | 72.8 | 0 | 0 | 110.1 | W311 R312 Q322 | W311-M324 WeakPolarHBondContact CA-O 3.37Å; R312-M324 HydrophobicContact CB-CB 4.29Å; R312-M324 PolarHBondContact N-O 2.76Å; R312-M324 PolarHBondContact O-N 3.49Å; Q322-M324 HydrophobicContact CG-CG 4.09Å |
| 325 | L | 87.8 | Confident | 89.2 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120.1 | 173.7 | -176 | 68 | 0 | 0 | 0 | 109.8 | M278 V280 T310 W311 Q327 L329 | M278-L325 PolarHBondContact O-N 2.99Å; V280-L325 HydrophobicContact CG2-CB 3.46Å; V280-L325 VanDerWaalsContact CG2-CB 3.46Å; T310-L325 HydrophobicContact CG2-CD1 4.11Å; W311-L325 HydrophobicContact CD2-CD1 4.23Å; W311-L325 HydrophobicContact CE3-CD1 3.86Å; W311-L325 HydrophobicContact CH2-CD1 3.74Å; W311-L325 HydrophobicContact CZ2-CD1 4.14Å; W311-L325 HydrophobicContact CZ3-CB 4.31Å; W311-L325 HydrophobicContact CZ3-CD1 3.61Å; L325-Q327 VanDerWaalsContact CD1-O 3.28Å; L325-Q327 WeakPolarHBondContact CD1-O 3.19Å; L325-Q327 WeakPolarHBondContact CD2-O 3.46Å; L325-Q327 WeakPolarHBondContact CG-O 3.2Å; L325-L329 HydrophobicContact CD1-CD1 3.49Å; L325-L329 VanDerWaalsContact CD1-CD1 3.49Å; L325-L329 HydrophobicContact CD1-CG 3.84Å; L325-L329 HydrophobicContact CD2-CD1 4.37Å; L325-L329 HydrophobicContact CD2-CG 4.33Å |
| 326 | L | 85.9 | Confident | 89.1 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -88.2 | -21.3 | -177.7 | -59.5 | 178.5 | 0 | 0 | 0 | 113 | D308 T310 R312 | D308-L326 WeakPolarHBondContact O-CD1 3.43Å; T310-L326 PolarHBondContact O-N 2.78Å; R312-L326 HydrophobicContact CB-CD1 4.22Å; R312-L326 HydrophobicContact CB-CD2 4.1Å; R312-L326 HydrophobicContact CB-CG 4.23Å |
| 327 | Q | 82.1 | Confident | 89.1 | Confident | 109 Ų | 109 | 56 Ų | 56 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -138.1 | 140 | -178.3 | -60.1 | -176.7 | 21.9 | 0 | 0 | 110.3 | K309 L325 L329 | K309-Q327 PolarHBondContact O-NE2 2.92Å; L325-Q327 VanDerWaalsContact CD1-O 3.28Å; L325-Q327 WeakPolarHBondContact CD1-O 3.19Å; L325-Q327 WeakPolarHBondContact CD2-O 3.46Å; L325-Q327 WeakPolarHBondContact CG-O 3.2Å; Q327-L329 PolarHBondContact O-N 3.12Å |
| 328 | S | 78.5 | Confident | 89 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | trans | -58.5 | 137.2 | 175.1 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 329 | L | 81.5 | Confident | 89.2 | Confident | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | trans | -112.2 | 148.6 | 180 | -71.5 | 175.6 | 0 | 0 | 0 | 110.1 | T310 W311 L325 Q327 Y334 V358 | T310-L329 HydrophobicContact CG2-CD1 4.26Å; T310-L329 HydrophobicContact CG2-CD2 3.93Å; T310-L329 HydrophobicContact CG2-CG 4.4Å; W311-L329 HydrophobicContact CH2-CD1 3.6Å; W311-L329 HydrophobicContact CZ2-CD1 3.39Å; L325-L329 HydrophobicContact CD1-CD1 3.49Å; L325-L329 VanDerWaalsContact CD1-CD1 3.49Å; L325-L329 HydrophobicContact CD1-CG 3.84Å; L325-L329 HydrophobicContact CD2-CD1 4.37Å; L325-L329 HydrophobicContact CD2-CG 4.33Å; Q327-L329 PolarHBondContact O-N 3.12Å; L329-Y334 HydrophobicContact CB-CE2 3.87Å; L329-Y334 HydrophobicContact CD1-CD1 4.36Å; L329-Y334 HydrophobicContact CD1-CD2 4.06Å; L329-Y334 HydrophobicContact CD1-CE1 4.28Å; L329-Y334 HydrophobicContact CD1-CE2 3.97Å; L329-Y334 HydrophobicContact CD1-CG 4.25Å; L329-Y334 HydrophobicContact CD2-CE1 3.99Å; L329-Y334 HydrophobicContact CG-CE2 4.36Å; L329-V358 HydrophobicContact CB-CG2 3.95Å; L329-V358 HydrophobicContact CD1-CG2 4.39Å | ||
| 330 | K | 83 | Confident | 89.2 | Confident | 177 Ų | 177 | 50 Ų | 50 | 77% | 0.77 | 25% | 0.251 | S | S | * | . | trans | -70.5 | 153.9 | 173 | -65.6 | -176.6 | 179.8 | 179.7 | 0 | 109.5 | A332 Y334 | K330-A332 PolarHBondContact O-N 2.99Å; K330-Y334 PolarHBondContact N-OH 3.44Å; K330-Y334 WeakPolarHBondContact O-CE2 3.4Å; K330-Y334 PolarHBondContact O-OH 2.92Å | ||
| 331 | K | 83.3 | Confident | 89.3 | Confident | 94 Ų | 94 | 47.8 Ų | 47.8 | 41% | 0.409 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -54.4 | 106.1 | 170.9 | -170.8 | -161.3 | -170.5 | 169.8 | 0 | 111.2 | V358 I360 Y367 | K331-V358 VanDerWaalsContact CG-O 3.26Å; K331-V358 WeakPolarHBondContact CG-O 3.42Å; K331-I360 HydrophobicContact CD-CD1 3.88Å; K331-I360 HydrophobicContact CD-CG1 3.8Å; K331-I360 HydrophobicContact CG-CG1 4.28Å; K331-Y367 WeakPolarHBondContact CE-O 3.39Å |
| 332 | A | 85.1 | Confident | 89.3 | Confident | 37 Ų | 37 | 48.1 Ų | 48.1 | 31% | 0.306 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -165 | 174.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | K330 Y334 V358 | K330-A332 PolarHBondContact O-N 2.99Å; A332-Y334 HydrophobicContact CB-CD2 4.38Å; A332-Y334 HydrophobicContact CB-CE2 3.76Å; A332-V358 PolarHBondContact O-N 2.82Å |
| 333 | N | 88.3 | Confident | 89.4 | Confident | 74 Ų | 74 | 48.3 Ų | 48.3 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.5 | 169.7 | -62.3 | -20.7 | 0 | 0 | 0 | 108.4 | S369 | N333-S369 PolarHBondContact OD1-OG 2.93Å |
| 334 | Y | 88.2 | Confident | 89.4 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141.4 | 177.7 | -63.3 | -93.1 | 0 | 0 | 0 | 109.7 | L329 K330 A332 K355 V356 V358 | L329-Y334 HydrophobicContact CB-CE2 3.87Å; L329-Y334 HydrophobicContact CD1-CD1 4.36Å; L329-Y334 HydrophobicContact CD1-CD2 4.06Å; L329-Y334 HydrophobicContact CD1-CE1 4.28Å; L329-Y334 HydrophobicContact CD1-CE2 3.97Å; L329-Y334 HydrophobicContact CD1-CG 4.25Å; L329-Y334 HydrophobicContact CD2-CE1 3.99Å; L329-Y334 HydrophobicContact CG-CE2 4.36Å; K330-Y334 PolarHBondContact N-OH 3.44Å; K330-Y334 WeakPolarHBondContact O-CE2 3.4Å; K330-Y334 PolarHBondContact O-OH 2.92Å; A332-Y334 HydrophobicContact CB-CD2 4.38Å; A332-Y334 HydrophobicContact CB-CE2 3.76Å; Y334-K355 CarbonylContact O-C 3.58Å; Y334-K355 WeakPolarHBondContact O-CA 3.37Å; Y334-V356 PolarHBondContact N-O 3.45Å; Y334-V356 PolarHBondContact O-N 2.93Å; Y334-V358 HydrophobicContact CD2-CG2 3.67Å; Y334-V358 HydrophobicContact CE2-CB 4.29Å; Y334-V358 HydrophobicContact CE2-CG2 3.53Å |
| 335 | Q | 90.7 | Very high | 89.5 | Confident | 120 Ų | 120 | 52.7 Ų | 52.7 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 116.6 | 170 | -71.5 | 172.6 | -61.5 | 0 | 0 | 107.9 | P337 E353 | Q335-P337 WeakPolarHBondContact O-CD 3.4Å; Q335-E353 PolarHBondContact NE2-OE2 3.21Å |
| 336 | L | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 102.9 | 175.9 | 177.6 | 59.6 | 0 | 0 | 0 | 108.6 | L301 L307 W311 I323 L338 V354 V356 | L301-L336 HydrophobicContact CD2-CD1 3.81Å; L307-L336 HydrophobicContact CD1-CD1 3.91Å; L307-L336 HydrophobicContact CD2-CD1 3.88Å; L307-L336 HydrophobicContact CG-CD1 3.96Å; W311-L336 HydrophobicContact CB-CD1 4.16Å; W311-L336 HydrophobicContact CD2-CD1 4.12Å; W311-L336 HydrophobicContact CD2-CD2 4.09Å; W311-L336 HydrophobicContact CE3-CD2 4.12Å; W311-L336 HydrophobicContact CG-CD1 3.71Å; W311-L336 HydrophobicContact CG-CD2 4.34Å; I323-L336 HydrophobicContact CD1-CD2 4.08Å; I323-L336 HydrophobicContact CG2-CD2 3.65Å; L336-L338 HydrophobicContact CD1-CD2 4.43Å; L336-L338 HydrophobicContact CD2-CD2 4.09Å; L336-L338 HydrophobicContact CG-CD2 3.91Å; L336-L338 HydrophobicContact CG-CG 4.29Å; L336-L338 PolarHBondContact O-N 2.99Å; L336-V354 HydrophobicContact CB-CB 4.48Å; L336-V354 PolarHBondContact N-O 3.34Å; L336-V354 PolarHBondContact O-N 3.06Å; L336-V356 HydrophobicContact CB-CG2 4.21Å |
| 337 | P | 93.8 | Very high | 90.3 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 129.2 | 173.1 | 30.2 | -33.5 | 0 | 0 | 0 | 109.5 | G302 Q304 L307 Q335 T352 | G302-P337 PolarHBondContact N-O 3.42Å; Q304-P337 HydrophobicContact CG-CG 4Å; L307-P337 HydrophobicContact CD2-CG 3.97Å; Q335-P337 WeakPolarHBondContact O-CD 3.4Å; P337-T352 CarbonylContact C-O 3.59Å; P337-T352 WeakPolarHBondContact CA-O 3.4Å |
| 338 | L | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.5 | 175.1 | -61.5 | -178.2 | 0 | 0 | 0 | 109 | V264 V283 I299 E300 L301 V313 I323 L336 S351 T352 V354 | V264-L338 HydrophobicContact CG1-CD1 4.41Å; V264-L338 HydrophobicContact CG2-CD1 4.32Å; V283-L338 HydrophobicContact CG2-CD1 4.36Å; I299-L338 HydrophobicContact CG2-CB 4.32Å; I299-L338 HydrophobicContact CG2-CD1 4.18Å; E300-L338 CarbonylContact O-C 3.53Å; E300-L338 VanDerWaalsContact O-CA 3.31Å; E300-L338 WeakPolarHBondContact O-CA 3.19Å; L301-L338 HydrophobicContact CD2-CD2 4.17Å; V313-L338 HydrophobicContact CG2-CD2 3.89Å; I323-L338 HydrophobicContact CD1-CD1 3.94Å; L336-L338 HydrophobicContact CD1-CD2 4.43Å; L336-L338 HydrophobicContact CD2-CD2 4.09Å; L336-L338 HydrophobicContact CG-CD2 3.91Å; L336-L338 HydrophobicContact CG-CG 4.29Å; L336-L338 PolarHBondContact O-N 2.99Å; L338-S351 CarbonylContact O-C 3.45Å; L338-S351 WeakPolarHBondContact O-CA 3.26Å; L338-T352 PolarHBondContact N-O 2.88Å; L338-T352 PolarHBondContact O-N 3.23Å; L338-T352 PolarHBondContact O-OG1 3.31Å; L338-V354 HydrophobicContact CD1-CG2 3.61Å; L338-V354 HydrophobicContact CG-CG2 4.35Å |
| 339 | L | 95.8 | Very high | 91.8 | Very high | 51 Ų | 51 | 53.2 Ų | 53.2 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 118.9 | 168 | -177.5 | 66.5 | 0 | 0 | 0 | 107.6 | I299 E300 | I299-L339 CarbonylContact C-O 3.55Å; I299-L339 WeakPolarHBondContact CA-O 3.44Å; E300-L339 PolarHBondContact N-O 2.68Å; E300-L339 PolarHBondContact O-N 2.78Å |
| 340 | I | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134 | 173.2 | -177 | 168.1 | 0 | 0 | 0 | 109.2 | P262 V264 F297 K298 I299 S349 N350 T352 | P262-I340 HydrophobicContact CB-CD1 3.85Å; P262-I340 HydrophobicContact CB-CG1 3.88Å; P262-I340 HydrophobicContact CB-CG2 4.29Å; P262-I340 HydrophobicContact CG-CB 4.44Å; P262-I340 HydrophobicContact CG-CD1 4.36Å; P262-I340 HydrophobicContact CG-CG1 3.81Å; P262-I340 HydrophobicContact CG-CG2 4.15Å; P262-I340 VanDerWaalsContact O-CG2 3.25Å; P262-I340 WeakPolarHBondContact O-CG2 3.49Å; V264-I340 HydrophobicContact CG1-CB 4.22Å; V264-I340 HydrophobicContact CG1-CD1 3.84Å; V264-I340 HydrophobicContact CG1-CG2 4.38Å; F297-I340 HydrophobicContact CB-CD1 4Å; F297-I340 HydrophobicContact CB-CG1 4.14Å; F297-I340 HydrophobicContact CD1-CD1 4.21Å; F297-I340 HydrophobicContact CD1-CG1 4.44Å; F297-I340 HydrophobicContact CG-CD1 4.05Å; F297-I340 HydrophobicContact CG-CG1 4.49Å; K298-I340 CarbonylContact O-C 3.52Å; K298-I340 WeakPolarHBondContact O-CA 3.19Å; I299-I340 HydrophobicContact CD1-CD1 4.01Å; I299-I340 HydrophobicContact CG1-CB 4.28Å; I299-I340 HydrophobicContact CG1-CD1 3.83Å; I299-I340 HydrophobicContact CG1-CG1 3.84Å; I340-S349 CarbonylContact O-C 3.59Å; I340-S349 WeakPolarHBondContact O-CA 3.45Å; I340-N350 HydrophobicContact CG2-CB 4.41Å; I340-N350 PolarHBondContact N-O 3.05Å; I340-N350 PolarHBondContact O-N 3.25Å; I340-T352 HydrophobicContact CG2-CG2 4.25Å |
| 341 | T | 96.8 | Very high | 93 | Very high | 21 Ų | 21 | 50.3 Ų | 50.3 | 13% | 0.129 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137 | 178.5 | -53.6 | 0 | 0 | 0 | 0 | 109.3 | F297 K298 P347 L348 S349 | F297-T341 CarbonylContact C-O 3.57Å; F297-T341 WeakPolarHBondContact CA-O 3.31Å; K298-T341 PolarHBondContact N-O 2.99Å; K298-T341 PolarHBondContact O-N 3.24Å; T341-P347 HydrophobicContact CG2-CB 3.94Å; T341-L348 WeakPolarHBondContact CA-O 3.44Å; T341-S349 WeakPolarHBondContact CB-OG 3.34Å; T341-S349 WeakPolarHBondContact CG2-OG 3.39Å; T341-S349 PolarHBondContact OG1-OG 3.12Å |
| 342 | D | 97 | Very high | 93.4 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.043 | 28% | 0.276 | C | S | . | . | trans | -81 | -173.5 | 177.1 | 64.2 | 39.7 | 0 | 0 | 0 | 112.3 | N258 P262 N293 F297 G344 P347 L348 | N258-D342 PolarHBondContact ND2-OD1 3.13Å; N258-D342 PolarHBondContact ND2-OD2 2.91Å; N258-D342 VanDerWaalsContact ND2-OD2 3.08Å; N258-D342 PolarHBondContact OD1-OD2 2.93Å; P262-D342 HydrophobicContact CG-CB 3.92Å; N293-D342 WeakPolarHBondContact O-CB 3.41Å; F297-D342 HydrophobicContact CD1-CB 4.47Å; F297-D342 HydrophobicContact CE1-CB 4.44Å; D342-G344 PolarHBondContact OD1-N 2.7Å; D342-P347 WeakPolarHBondContact OD1-CA 3.47Å; D342-L348 VanDerWaalsContact CG-N 3.35Å; D342-L348 PolarHBondContact N-O 3.3Å; D342-L348 VanDerWaalsContact N-O 3.09Å; D342-L348 PolarHBondContact OD1-N 2.97Å; D342-L348 VanDerWaalsContact OD2-CA 3.28Å; D342-L348 WeakPolarHBondContact OD2-CA 3.29Å; D342-L348 WeakPolarHBondContact OD2-CB 3.35Å; D342-L348 PolarHBondContact OD2-N 3.04Å | ||
| 343 | S | 95.1 | Very high | 93.7 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -107.1 | 8.1 | 174.5 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | P292 A294 A295 P296 | P292-S343 PolarHBondContact O-OG 2.8Å; A294-S343 PolarHBondContact O-N 2.82Å; A294-S343 PolarHBondContact O-OG 2.67Å; A295-S343 PolarHBondContact O-OG 3.3Å; P296-S343 WeakPolarHBondContact CD-OG 3.44Å |
| 344 | G | 93.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 46 Ų | 46 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -69.5 | 171.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N258 N293 D342 P346 P347 | N258-G344 WeakPolarHBondContact ND2-CA 3.43Å; N293-G344 PolarHBondContact O-N 3.3Å; D342-G344 PolarHBondContact OD1-N 2.7Å; G344-P346 CarbonylContact C-O 3.53Å; G344-P346 CarbonylContact O-C 3.53Å; G344-P346 VanDerWaalsContact O-C 3.3Å; G344-P347 VanDerWaalsContact O-CA 3.22Å; G344-P347 WeakPolarHBondContact O-CA 3.25Å |
| 345 | V | 90.8 | Very high | 94.1 | Very high | 124 Ų | 124 | 48.4 Ų | 48.4 | 75% | 0.752 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -129.1 | 109.9 | -179.5 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 346 | P | 94.3 | Very high | 94.1 | Very high | 73 Ų | 73 | 42.7 Ų | 42.7 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | S | Bend | cis | -68.2 | 151.3 | -4.4 | 31.1 | -35.4 | 0 | 0 | 0 | 112.2 | N258 G344 | N258-P346 PolarHBondContact ND2-O 2.74Å; G344-P346 CarbonylContact C-O 3.53Å; G344-P346 CarbonylContact O-C 3.53Å; G344-P346 VanDerWaalsContact O-C 3.3Å |
| 347 | P | 95.8 | Very high | 94 | Very high | 78 Ų | 78 | 44.3 Ų | 44.3 | 51% | 0.506 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 136.9 | -179.6 | 28.9 | -34.2 | 0 | 0 | 0 | 110.9 | T341 D342 G344 | T341-P347 HydrophobicContact CG2-CB 3.94Å; D342-P347 WeakPolarHBondContact OD1-CA 3.47Å; G344-P347 VanDerWaalsContact O-CA 3.22Å; G344-P347 WeakPolarHBondContact O-CA 3.25Å |
| 348 | L | 96.8 | Very high | 93.6 | Very high | 51 Ų | 51 | 44 Ų | 44 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -99.6 | 149.4 | 173.6 | -57.3 | 175.5 | 0 | 0 | 0 | 110.3 | N258 A261 T341 D342 | N258-L348 PolarHBondContact ND2-N 3.25Å; N258-L348 WeakPolarHBondContact O-CD1 3.17Å; A261-L348 HydrophobicContact CB-CB 4Å; T341-L348 WeakPolarHBondContact CA-O 3.44Å; D342-L348 VanDerWaalsContact CG-N 3.35Å; D342-L348 PolarHBondContact N-O 3.3Å; D342-L348 VanDerWaalsContact N-O 3.09Å; D342-L348 PolarHBondContact OD1-N 2.97Å; D342-L348 VanDerWaalsContact OD2-CA 3.28Å; D342-L348 WeakPolarHBondContact OD2-CA 3.29Å; D342-L348 WeakPolarHBondContact OD2-CB 3.35Å; D342-L348 PolarHBondContact OD2-N 3.04Å |
| 349 | S | 96.1 | Very high | 93.1 | Very high | 61 Ų | 61 | 44 Ų | 44 | 43% | 0.427 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 142.8 | -177.3 | -59 | 0 | 0 | 0 | 0 | 110.9 | I340 T341 | I340-S349 CarbonylContact O-C 3.59Å; I340-S349 WeakPolarHBondContact O-CA 3.45Å; T341-S349 WeakPolarHBondContact CB-OG 3.34Å; T341-S349 WeakPolarHBondContact CG2-OG 3.39Å; T341-S349 PolarHBondContact OG1-OG 3.12Å |
| 350 | N | 95.3 | Very high | 92.5 | Very high | 67 Ų | 67 | 44.4 Ų | 44.4 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.9 | 177.8 | -166.3 | 10 | 0 | 0 | 0 | 111.1 | A261 P262 I340 | A261-N350 HydrophobicContact CB-CB 3.95Å; P262-N350 WeakPolarHBondContact O-CB 3.35Å; I340-N350 HydrophobicContact CG2-CB 4.41Å; I340-N350 PolarHBondContact N-O 3.05Å; I340-N350 PolarHBondContact O-N 3.25Å |
| 351 | S | 93.7 | Very high | 91.6 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 53% | 0.531 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 109.9 | 170.9 | -167.3 | 0 | 0 | 0 | 0 | 108.9 | L338 | L338-S351 CarbonylContact O-C 3.45Å; L338-S351 WeakPolarHBondContact O-CA 3.26Å |
| 352 | T | 91.5 | Very high | 90.6 | Very high | 18 Ų | 18 | 48.3 Ų | 48.3 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 150.3 | 179.1 | 53.7 | 0 | 0 | 0 | 0 | 111 | F263 V264 P337 L338 I340 | F263-T352 HydrophobicContact CB-CG2 3.78Å; V264-T352 VanDerWaalsContact CG2-OG1 3.23Å; V264-T352 WeakPolarHBondContact CG2-OG1 3.01Å; P337-T352 CarbonylContact C-O 3.59Å; P337-T352 WeakPolarHBondContact CA-O 3.4Å; L338-T352 PolarHBondContact N-O 2.88Å; L338-T352 PolarHBondContact O-N 3.23Å; L338-T352 PolarHBondContact O-OG1 3.31Å; I340-T352 HydrophobicContact CG2-CG2 4.25Å |
| 353 | E | 91.1 | Very high | 89.1 | Confident | 98 Ų | 98 | 58.3 Ų | 58.3 | 46% | 0.458 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.3 | 177.9 | -68 | -174 | 178.8 | 0 | 0 | 111.2 | Q335 | Q335-E353 PolarHBondContact NE2-OE2 3.21Å |
| 354 | V | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 118.6 | 168.4 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | V264 A269 V283 L336 L338 V356 | V264-V354 HydrophobicContact CG2-CG2 3.65Å; A269-V354 HydrophobicContact CB-CG1 4.1Å; V283-V354 HydrophobicContact CG1-CG2 4.31Å; L336-V354 HydrophobicContact CB-CB 4.48Å; L336-V354 PolarHBondContact N-O 3.34Å; L336-V354 PolarHBondContact O-N 3.06Å; L338-V354 HydrophobicContact CD1-CG2 3.61Å; L338-V354 HydrophobicContact CG-CG2 4.35Å; V354-V356 HydrophobicContact CG1-CG2 4.35Å; V354-V356 PolarHBondContact O-N 3.33Å |
| 355 | K | 92.8 | Very high | 86.2 | Confident | 113 Ų | 113 | 68 Ų | 68 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 107.4 | 174.9 | -66.7 | 179.7 | -177.6 | 175.5 | 0 | 109.3 | S267 V268 A269 Y334 | S267-K355 PolarHBondContact O-N 2.79Å; V268-K355 CarbonylContact C-O 3.56Å; V268-K355 WeakPolarHBondContact CA-O 3.33Å; V268-K355 HydrophobicContact CG2-CB 4.35Å; A269-K355 PolarHBondContact N-O 3.44Å; Y334-K355 CarbonylContact O-C 3.58Å; Y334-K355 WeakPolarHBondContact O-CA 3.37Å |
| 356 | V | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 111.9 | 176.4 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | A269 V271 V280 W311 Y334 L336 V354 | A269-V356 HydrophobicContact CB-CG2 4.43Å; A269-V356 CarbonylContact O-C 3.57Å; A269-V356 WeakPolarHBondContact O-CA 3.11Å; V271-V356 HydrophobicContact CG1-CG1 3.8Å; V280-V356 HydrophobicContact CG1-CG1 3.89Å; W311-V356 HydrophobicContact CH2-CB 3.92Å; W311-V356 HydrophobicContact CH2-CG1 3.7Å; W311-V356 HydrophobicContact CH2-CG2 3.85Å; W311-V356 HydrophobicContact CZ2-CG2 4.41Å; W311-V356 HydrophobicContact CZ3-CG1 4.24Å; W311-V356 HydrophobicContact CZ3-CG2 4.2Å; Y334-V356 PolarHBondContact N-O 3.45Å; Y334-V356 PolarHBondContact O-N 2.93Å; L336-V356 HydrophobicContact CB-CG2 4.21Å; V354-V356 HydrophobicContact CG1-CG2 4.35Å; V354-V356 PolarHBondContact O-N 3.33Å |
| 357 | Q | 89.2 | Confident | 84.8 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 16% | 0.159 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 114.2 | 175.1 | -59.6 | 179.8 | -19.8 | 0 | 0 | 108.9 | V268 A269 Q270 V271 C359 | V268-Q357 HydrophobicContact CG1-CG 4.3Å; A269-Q357 PolarHBondContact O-N 3.22Å; Q270-Q357 WeakPolarHBondContact CA-O 3.27Å; Q270-Q357 HydrophobicContact CG-CB 4.2Å; V271-Q357 PolarHBondContact N-O 2.69Å; Q357-C359 PolarHBondContact O-SG 2.82Å; Q357-C359 VanDerWaalsContact O-SG 3.4Å |
| 358 | V | 86.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 120.4 | 173 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | V271 E273 L329 K331 A332 Y334 | V271-V358 HydrophobicContact CG1-CB 4.41Å; V271-V358 HydrophobicContact CG1-CG2 3.78Å; V271-V358 CarbonylContact O-C 3.32Å; V271-V358 WeakPolarHBondContact O-CA 3.39Å; E273-V358 HydrophobicContact CB-CG1 3.78Å; L329-V358 HydrophobicContact CB-CG2 3.95Å; L329-V358 HydrophobicContact CD1-CG2 4.39Å; K331-V358 VanDerWaalsContact CG-O 3.26Å; K331-V358 WeakPolarHBondContact CG-O 3.42Å; A332-V358 PolarHBondContact O-N 2.82Å; Y334-V358 HydrophobicContact CD2-CG2 3.67Å; Y334-V358 HydrophobicContact CE2-CB 4.29Å; Y334-V358 HydrophobicContact CE2-CG2 3.53Å |
| 359 | C | 84.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 150 | -171.6 | -45.2 | 0 | 0 | 0 | 0 | 110.8 | V271 C272 E273 Q357 C361 R366 Y367 C368 | V271-C359 PolarHBondContact O-N 3.04Å; C272-C359 CarbonylContact C-O 3.54Å; C272-C359 WeakPolarHBondContact CA-O 3.47Å; E273-C359 PolarHBondContact N-O 3.48Å; Q357-C359 PolarHBondContact O-SG 2.82Å; Q357-C359 VanDerWaalsContact O-SG 3.4Å; C359-C361 PolarHBondContact O-N 2.96Å; C359-R366 HydrophobicContact CB-CG 4Å; C359-Y367 WeakPolarHBondContact CA-O 2.96Å; C359-C368 HydrophobicContact CB-CB 3.92Å; C359-C368 WeakPolarHBondContact CB-SG 3.34Å; C359-C368 WeakPolarHBondContact SG-CA 2.94Å; C359-C368 WeakPolarHBondContact SG-CB 3.45Å; C359-C368 CovalentContact SG-SG 2.02Å; C359-C368 PolarHBondContact SG-SG 3.13Å |
| 360 | I | 82 | Confident | 80.2 | Confident | 61 Ų | 61 | 70 Ų | 70 | 31% | 0.313 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 119.5 | 167.4 | -54.8 | -178.5 | 0 | 0 | 0 | 106.8 | E273 K331 Y367 | E273-I360 WeakPolarHBondContact OE1-CG1 3.35Å; E273-I360 WeakPolarHBondContact OE1-CG2 3.13Å; K331-I360 HydrophobicContact CD-CD1 3.88Å; K331-I360 HydrophobicContact CD-CG1 3.8Å; K331-I360 HydrophobicContact CG-CG1 4.28Å; I360-Y367 PolarHBondContact N-O 2.91Å; I360-Y367 PolarHBondContact O-N 2.9Å |
| 361 | C | 77.3 | Confident | 77.7 | Confident | 28 Ų | 28 | 70 Ų | 70 | 19% | 0.189 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.5 | -178.6 | -64.8 | 0 | 0 | 0 | 0 | 110.5 | C272 C359 R366 | C272-C361 WeakPolarHBondContact CA-SG 3.27Å; C272-C361 HydrophobicContact CB-CB 3.59Å; C272-C361 WeakPolarHBondContact CB-SG 3.45Å; C272-C361 WeakPolarHBondContact SG-CB 3.47Å; C272-C361 CovalentContact SG-SG 2.01Å; C272-C361 PolarHBondContact SG-SG 2.94Å; C359-C361 PolarHBondContact O-N 2.96Å; C361-R366 WeakPolarHBondContact SG-CG 3.25Å |
| 362 | T | 75.9 | Confident | 75 | Confident | 74 Ų | 74 | 74.9 Ų | 74.9 | 45% | 0.454 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 166.6 | 165.3 | 69.3 | 0 | 0 | 0 | 0 | 108.8 | T364 K365 Y367 | T362-T364 PolarHBondContact O-N 2.87Å; T362-K365 PolarHBondContact N-O 2.8Å; T362-K365 PolarHBondContact O-N 2.79Å; T362-K365 PolarHBondContact OG1-N 2.85Å; T362-K365 PolarHBondContact OG1-O 2.99Å; T362-Y367 HydrophobicContact CG2-CE2 4.27Å |
| 363 | K | 67.1 | Low | 72.1 | Confident | 219 Ų | 219 | 78.7 Ų | 78.7 | 95% | 0.952 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -18.1 | -178.5 | -68.8 | -173.5 | 178.9 | -177.9 | 0 | 114.9 | ||
| 364 | T | 60.1 | Low | 69.4 | Low | 126 Ų | 126 | 81.7 Ų | 81.7 | 77% | 0.773 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.8 | -9.8 | -177.3 | 56.5 | 0 | 0 | 0 | 0 | 115.3 | T362 | T362-T364 PolarHBondContact O-N 2.87Š|
| 365 | K | 67.3 | Low | 66.5 | Low | 126 Ų | 126 | 92.7 Ų | 92.7 | 55% | 0.548 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 144.4 | -174.5 | -68 | -174.9 | 177.4 | -179.2 | 0 | 112.9 | T362 Y367 | T362-K365 PolarHBondContact N-O 2.8Å; T362-K365 PolarHBondContact O-N 2.79Å; T362-K365 PolarHBondContact OG1-N 2.85Å; T362-K365 PolarHBondContact OG1-O 2.99Å; K365-Y367 HydrophobicContact CB-CE2 3.84Å; K365-Y367 VanDerWaalsContact CD-OH 3.31Å; K365-Y367 WeakPolarHBondContact CD-OH 2.92Å |
| 366 | R | 76.3 | Confident | 63.8 | Low | 134 Ų | 134 | 93.2 Ų | 93.2 | 51% | 0.506 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.8 | 173.3 | -127.1 | -176.3 | -150.3 | 164.1 | 6 | 110.2 | Q270 C272 C359 C361 | Q270-R366 PolarHBondContact O-NH1 2.86Å; C272-R366 PolarHBondContact SG-NE 2.77Å; C359-R366 HydrophobicContact CB-CG 4Å; C361-R366 WeakPolarHBondContact SG-CG 3.25Å |
| 367 | Y | 78.8 | Confident | 61.1 | Low | 120 Ų | 120 | 97.6 Ų | 97.6 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 86.7 | 177.3 | -60.7 | -79.1 | 0 | 0 | 0 | 110.5 | K331 C359 I360 T362 K365 | K331-Y367 WeakPolarHBondContact CE-O 3.39Å; C359-Y367 WeakPolarHBondContact CA-O 2.96Å; I360-Y367 PolarHBondContact N-O 2.91Å; I360-Y367 PolarHBondContact O-N 2.9Å; T362-Y367 HydrophobicContact CG2-CE2 4.27Å; K365-Y367 HydrophobicContact CB-CE2 3.84Å; K365-Y367 VanDerWaalsContact CD-OH 3.31Å; K365-Y367 WeakPolarHBondContact CD-OH 2.92Å |
| 368 | C | 74.6 | Confident | 58.6 | Low | 34 Ų | 34 | 104.2 Ų | 104.2 | 23% | 0.23 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 148.2 | 176.4 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | C359 S370 | C359-C368 HydrophobicContact CB-CB 3.92Å; C359-C368 WeakPolarHBondContact CB-SG 3.34Å; C359-C368 WeakPolarHBondContact SG-CA 2.94Å; C359-C368 WeakPolarHBondContact SG-CB 3.45Å; C359-C368 CovalentContact SG-SG 2.02Å; C359-C368 PolarHBondContact SG-SG 3.13Å; C368-S370 PolarHBondContact O-N 2.84Å; C368-S370 VanDerWaalsContact O-N 3.08Å |
| 369 | S | 63.1 | Low | 56.3 | Low | 30 Ų | 30 | 109.9 Ų | 109.9 | 21% | 0.21 | 58% | 0.578 | C | S | . | * | trans | -63.7 | 107 | 168.1 | 27 | 0 | 0 | 0 | 0 | 109.6 | N333 A371 | N333-S369 PolarHBondContact OD1-OG 2.93Å; S369-A371 PolarHBondContact O-N 2.96Å | ||
| 370 | S | 55 | Low | 54.2 | Low | 110 Ų | 110 | 115.9 Ų | 115.9 | 77% | 0.769 | 61% | 0.614 | S | S | * | * | trans | -63.7 | 115.3 | 167.3 | 55.2 | 0 | 0 | 0 | 0 | 108.3 | C368 | C368-S370 PolarHBondContact O-N 2.84Å; C368-S370 VanDerWaalsContact O-N 3.08Å | ||
| 371 | A | 41.5 | Very low | 52.1 | Low | 67 Ų | 67 | 121.1 Ų | 121.1 | 55% | 0.554 | 64% | 0.642 | S | S | * | * | trans | -54.3 | 141.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | S369 S373 | S369-A371 PolarHBondContact O-N 2.96Å; A371-S373 PolarHBondContact O-N 3.13Å | ||
| 372 | H | 37.2 | Very low | 50.4 | Low | 180 Ų | 180 | 127.9 Ų | 127.9 | 83% | 0.833 | 68% | 0.675 | S | S | * | * | trans | -43.2 | 102.4 | 173.8 | -88.1 | -3.6 | 0 | 0 | 0 | 110.8 | H374 | H372-H374 PolarHBondContact O-N 3.03Š| ||
| 373 | S | 30.8 | Very low | 48.6 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 69% | 0.689 | S | S | * | * | trans | -63.4 | 109.8 | 145 | 168.9 | 0 | 0 | 0 | 0 | 103.8 | A371 R375 | A371-S373 PolarHBondContact O-N 3.13Å; S373-R375 PolarHBondContact O-N 2.83Å | ||
| 374 | H | 34.3 | Very low | 47.4 | Very low | 160 Ų | 160 | 125.6 Ų | 125.6 | 74% | 0.741 | 68% | 0.684 | S | S | * | * | trans | -53.5 | 99.8 | 150.9 | -83.7 | -82.5 | 0 | 0 | 0 | 105 | H372 T376 | H372-H374 PolarHBondContact O-N 3.03Å; H374-T376 PolarHBondContact O-N 3.1Å | ||
| 375 | R | 33.6 | Very low | 46.3 | Very low | 231 Ų | 231 | 127.8 Ų | 127.8 | 87% | 0.872 | 69% | 0.69 | S | S | * | * | trans | -58.1 | 89.7 | 153.8 | -100.6 | -177.7 | 168.4 | -169.9 | -2.9 | 104 | S373 S377 | S373-R375 PolarHBondContact O-N 2.83Å; R375-S377 PolarHBondContact O-N 3.04Å | ||
| 376 | T | 35.3 | Very low | 44.9 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 76% | 0.761 | 71% | 0.705 | S | S | * | * | trans | -57.8 | 103.9 | 151.6 | 36.3 | 0 | 0 | 0 | 0 | 104.6 | H374 L378 | H374-T376 PolarHBondContact O-N 3.1Å; T376-L378 PolarHBondContact O-N 3.15Å | ||
| 377 | S | 33.3 | Very low | 42.9 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | trans | -54.9 | 124.5 | 176.2 | -159.2 | 0 | 0 | 0 | 0 | 107.3 | R375 V379 | R375-S377 PolarHBondContact O-N 3.04Å; S377-V379 PolarHBondContact O-N 3.24Å | ||
| 378 | L | 36.7 | Very low | 41.1 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 40 | -177.4 | -134.3 | 125.9 | 0 | 0 | 0 | 111.6 | T376 | T376-L378 PolarHBondContact O-N 3.15Š|
| 379 | V | 38.8 | Very low | 39.2 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | 7.9 | -173.8 | -173 | 0 | 0 | 0 | 0 | 112.6 | S377 | S377-V379 PolarHBondContact O-N 3.24Š|
| 380 | V | 39.9 | Very low | 37.8 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 76% | 0.758 | 81% | 0.807 | S | S | * | * | trans | -131.3 | 66.2 | 169.4 | -167.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 381 | L | 37.8 | Very low | 36.5 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | trans | -141.1 | 58.8 | 166 | -102.9 | 160.2 | 0 | 0 | 0 | 108 | ||||
| 382 | L | 41.3 | Very low | 36.1 | Very low | 170 Ų | 170 | 156.1 Ų | 156.1 | 89% | 0.89 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -162.5 | 68.2 | 172.8 | -110.7 | 144.5 | 0 | 0 | 0 | 108.7 | ||
| 383 | S | 39.3 | Very low | 35.8 | Very low | 105 Ų | 105 | 158.3 Ų | 158.3 | 73% | 0.734 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -176.6 | 38.6 | 161 | 44.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 384 | T | 41.3 | Very low | 35.7 | Very low | 140 Ų | 140 | 158.8 Ų | 158.8 | 86% | 0.859 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -149.1 | 48 | 163.6 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 385 | L | 36.8 | Very low | 35.9 | Very low | 172 Ų | 172 | 162.9 Ų | 162.9 | 90% | 0.901 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -141.1 | 53.2 | 172.3 | -116.5 | 145.4 | 0 | 0 | 0 | 109.8 | ||
| 386 | L | 37.5 | Very low | 36 | Very low | 165 Ų | 165 | 157.9 Ų | 157.9 | 86% | 0.864 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -164.3 | 80.5 | 163.1 | -136.6 | 103.4 | 0 | 0 | 0 | 108.7 | ||
| 387 | L | 34.2 | Very low | 36 | Very low | 176 Ų | 176 | 156 Ų | 156 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | trans | -176.4 | 50.8 | 160.2 | -100.2 | 153.7 | 0 | 0 | 0 | 111.1 | ||||
| 388 | V | 40.6 | Very low | 35.9 | Very low | 142 Ų | 142 | 158.3 Ų | 158.3 | 86% | 0.861 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -141.6 | 87.5 | 152.5 | -178 | 0 | 0 | 0 | 0 | 106.6 | ||
| 389 | R | 35.8 | Very low | 35.7 | Very low | 235 Ų | 235 | 156.7 Ų | 156.7 | 89% | 0.887 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -178.7 | 134.8 | 145.7 | -83.3 | -128.5 | 176.2 | -179 | -2.5 | 107.4 | ||
| 390 | L | 32.8 | Very low | 35.3 | Very low | 170 Ų | 170 | 157.6 Ų | 157.6 | 89% | 0.89 | 84% | 0.844 | S | S | * | * | trans | 94.8 | 78.6 | 174.1 | -52.9 | 163.9 | 0 | 0 | 0 | 115.7 | ||||
| 391 | C | 28.8 | Very low | 34.8 | Very low | 139 Ų | 139 | 158.6 Ų | 158.6 | 94% | 0.939 | 84% | 0.844 | S | S | * | * | trans | -154.4 | 72.5 | 136.6 | -103.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 392 | E | 32.1 | Very low | 34.5 | Very low | 190 Ų | 190 | 157.4 Ų | 157.4 | 89% | 0.888 | 84% | 0.844 | S | S | * | * | trans | -91.1 | 153.1 | 144.6 | -89 | -178.1 | 149.9 | 0 | 0 | 107.5 | ||||
| 393 | Y | 30.2 | Very low | 33.9 | Very low | 226 Ų | 226 | 154 Ų | 154 | 89% | 0.886 | 83% | 0.833 | S | S | * | * | trans | 90 | 91.2 | 175.2 | -115.1 | -94.4 | 0 | 0 | 0 | 117.8 | ||||
| 394 | S | 30.3 | Very low | 33.2 | Very low | 108 Ų | 108 | 159.9 Ų | 159.9 | 76% | 0.755 | 84% | 0.839 | S | S | * | * | 173.4 | 122.7 | 105.8 | 42.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 395 | R | 37.9 | Very low | 32.7 | Very low | 245 Ų | 245 | 158.1 Ų | 158.1 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | trans | -69.6 | 154.3 | 162.2 | -70 | 179 | -178.4 | 172.3 | 0.1 | 109.2 | ||||
| 396 | P | 35.8 | Very low | 32.4 | Very low | 126 Ų | 126 | 165.2 Ų | 165.2 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | trans | -123.6 | 127 | 135.1 | 25 | -9.1 | 0 | 0 | 0 | 110.8 | ||||
| 397 | A | 35.9 | Very low | 32.2 | Very low | 85 Ų | 85 | 165.3 Ų | 165.3 | 70% | 0.702 | 85% | 0.845 | S | S | * | * | trans | -79 | 138.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 398 | D | 30.7 | Very low | 32 | Very low | 141 Ų | 141 | 164.7 Ų | 164.7 | 75% | 0.754 | 84% | 0.841 | S | S | * | * | trans | 165.1 | 109.4 | 134.4 | -84.4 | -17.4 | 0 | 0 | 0 | 108.5 | ||||
| 399 | L | 32.3 | Very low | 31.6 | Very low | 138 Ų | 138 | 165.9 Ų | 165.9 | 72% | 0.723 | 84% | 0.84 | S | S | * | * | 62.2 | 95.9 | 91.6 | -90.7 | 149.4 | 0 | 0 | 0 | 112.6 | L401 | L399-L401 HydrophobicContact CD2-CD1 3.71Š| |||
| 400 | T | 29.8 | Very low | 31.3 | Very low | 141 Ų | 141 | 161.9 Ų | 161.9 | 87% | 0.865 | 84% | 0.838 | S | S | * | * | trans | -138.7 | 104.7 | 142.7 | 31 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 401 | L | 30.6 | Very low | 31.2 | Very low | 146 Ų | 146 | 161.4 Ų | 161.4 | 76% | 0.764 | 83% | 0.834 | S | S | * | * | trans | -58.9 | 133 | 159 | -87.5 | 85.9 | 0 | 0 | 0 | 109.3 | L399 | L399-L401 HydrophobicContact CD2-CD1 3.71Š| ||
| 402 | T | 31 | Very low | 31.4 | Very low | 146 Ų | 146 | 162.9 Ų | 162.9 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | trans | -113.5 | 122.1 | 151.5 | 37.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 403 | C | 27.7 | Very low | 31.3 | Very low | 98 Ų | 98 | 160.9 Ų | 160.9 | 66% | 0.662 | 82% | 0.823 | S | S | * | * | trans | -84.7 | 152.1 | -177 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 404 | W | 26.2 | Very low | 31.4 | Very low | 229 Ų | 229 | 155.9 Ų | 155.9 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | 170.4 | 124.2 | 115.4 | -99.3 | 61 | 0 | 0 | 0 | 113.8 | |||||
| 405 | C | 28.7 | Very low | 31.5 | Very low | 102 Ų | 102 | 159.9 Ų | 159.9 | 69% | 0.689 | 82% | 0.823 | S | S | * | * | trans | 39.9 | 120.2 | 138 | -58.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 406 | R | 31.7 | Very low | 30.9 | Very low | 322 Ų | 322 | 152.2 Ų | 152.2 | 100% | 1.215 | 81% | 0.814 | S | S | * | * | -162.9 | 0 | 81.2 | -148.2 | 178.7 | -158.5 | -174.6 | 5.4 | 111.3 |
Retrieved 406 of 406 residues in 574.4 ms
(Link to these results)