| 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 | Y | 45.9 | Very low | 73.7 | Confident | 277 Ų | 277 | 130.8 Ų | 130.8 | 100% | 1.086 | 69% | 0.686 | S | S | * | * | 0 | 106.9 | 0 | -79.5 | -92.9 | 0 | 0 | 0 | 106.6 | |||||
| 2 | N | 57.3 | Low | 74.9 | Confident | 173 Ų | 173 | 129.9 Ų | 129.9 | 93% | 0.925 | 69% | 0.69 | S | S | * | * | trans | -91.8 | 93.4 | 173.2 | -92.2 | -21.6 | 0 | 0 | 0 | 107 | ||||
| 3 | T | 61.6 | Low | 75.7 | Confident | 116 Ų | 116 | 124.8 Ų | 124.8 | 71% | 0.712 | 67% | 0.668 | S | S | * | * | trans | -81 | 130.1 | 164.6 | 40.5 | 0 | 0 | 0 | 0 | 107.9 | S5 | T3-S5 PolarHBondContact O-N 3.42Š| ||
| 4 | P | 64.3 | Low | 76.6 | Confident | 116 Ų | 116 | 126.6 Ų | 126.6 | 75% | 0.753 | 68% | 0.678 | S | S | * | * | trans | -59.9 | 128.6 | 173.6 | 24 | -31 | 0 | 0 | 0 | 109.1 | A6 | P4-A6 PolarHBondContact O-N 3.14Š| ||
| 5 | S | 74.1 | Confident | 77.4 | Confident | 68 Ų | 68 | 121.5 Ų | 121.5 | 48% | 0.476 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -76.6 | -1.3 | -177.8 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | T3 C305 | T3-S5 PolarHBondContact O-N 3.42Å; S5-C305 VanDerWaalsContact CA-O 3.25Å; S5-C305 WeakPolarHBondContact CA-O 3.42Å; S5-C305 WeakPolarHBondContact CB-O 3.24Å |
| 6 | A | 78.6 | Confident | 78.1 | Confident | 44 Ų | 44 | 123.4 Ų | 123.4 | 36% | 0.364 | 66% | 0.659 | S | S | . | * | trans | -150.5 | 148.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P4 Y8 | P4-A6 PolarHBondContact O-N 3.14Å; A6-Y8 HydrophobicContact CB-CE1 4.45Å; A6-Y8 HydrophobicContact CB-CE2 3.7Å; A6-Y8 WeakPolarHBondContact CB-OH 3.45Å | ||
| 7 | S | 83.5 | Confident | 78.7 | Confident | 105 Ų | 105 | 124.7 Ų | 124.7 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | trans | -125.7 | 141.5 | 168.4 | -173.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 8 | Y | 85.2 | Confident | 79.3 | Confident | 208 Ų | 208 | 120 Ų | 120 | 82% | 0.816 | 64% | 0.641 | S | S | * | * | trans | -124.5 | 140.1 | -175.4 | -55.8 | -87.2 | 0 | 0 | 0 | 110 | A6 | A6-Y8 HydrophobicContact CB-CE1 4.45Å; A6-Y8 HydrophobicContact CB-CE2 3.7Å; A6-Y8 WeakPolarHBondContact CB-OH 3.45Å | ||
| 9 | L | 85.1 | Confident | 79.8 | Confident | 102 Ų | 102 | 117.1 Ų | 117.1 | 53% | 0.534 | 62% | 0.623 | S | S | . | * | trans | -115.1 | 121.8 | 168.8 | 178.5 | 67.2 | 0 | 0 | 0 | 107.9 | V11 Y22 F37 | L9-V11 HydrophobicContact CD1-CG2 4.41Å; L9-V11 HydrophobicContact CD2-CG2 3.89Å; L9-V11 HydrophobicContact CG-CG2 3.83Å; L9-Y22 HydrophobicContact CD2-CD1 3.55Å; L9-Y22 HydrophobicContact CD2-CE1 4Å; L9-Y22 HydrophobicContact CD2-CG 4.1Å; L9-F37 HydrophobicContact CD2-CE2 3.89Å; L9-F37 HydrophobicContact CD2-CZ 3.7Å | ||
| 10 | E | 88.9 | Confident | 80.4 | Confident | 181 Ų | 181 | 112.5 Ų | 112.5 | 85% | 0.846 | 60% | 0.604 | S | S | * | * | trans | -107.2 | 121.1 | 172.2 | -174 | 172.9 | -162.4 | 0 | 0 | 108 | ||||
| 11 | V | 86.3 | Confident | 81 | Confident | 49 Ų | 49 | 111.6 Ų | 111.6 | 30% | 0.297 | 60% | 0.599 | S | S | . | * | trans | -114.7 | 124.5 | 178.3 | -173.2 | 0 | 0 | 0 | 0 | 107.4 | L9 P13 D18 Y22 L39 | L9-V11 HydrophobicContact CD1-CG2 4.41Å; L9-V11 HydrophobicContact CD2-CG2 3.89Å; L9-V11 HydrophobicContact CG-CG2 3.83Å; V11-P13 HydrophobicContact CG1-CG 4.25Å; V11-P13 WeakPolarHBondContact O-CD 3.4Å; V11-D18 HydrophobicContact CG1-CB 4.43Å; V11-Y22 HydrophobicContact CG2-CE1 4.34Å; V11-L39 HydrophobicContact CB-CD2 4.11Å; V11-L39 HydrophobicContact CG1-CD2 3.85Å; V11-L39 HydrophobicContact CG2-CD2 4.39Å | ||
| 12 | T | 88.5 | Confident | 83.2 | Confident | 120 Ų | 120 | 101.1 Ų | 101.1 | 74% | 0.736 | 56% | 0.558 | S | S | * | * | trans | -109.1 | 93.5 | 168.3 | -56.9 | 0 | 0 | 0 | 0 | 106.7 | D14 | T12-D14 PolarHBondContact O-N 2.95Š| ||
| 13 | P | 85 | Confident | 84.8 | Confident | 63 Ų | 63 | 97.5 Ų | 97.5 | 41% | 0.409 | 54% | 0.539 | S | S | . | . | trans | -62.8 | 126.5 | -173.5 | -19.6 | 31.3 | 0 | 0 | 0 | 111.1 | V11 D18 F19 | V11-P13 HydrophobicContact CG1-CG 4.25Å; V11-P13 WeakPolarHBondContact O-CD 3.4Å; P13-D18 WeakPolarHBondContact CA-OD2 3.42Å; P13-D18 HydrophobicContact CB-CB 4.1Å; P13-F19 HydrophobicContact CB-CE2 4.04Å; P13-F19 HydrophobicContact CB-CZ 3.8Å; P13-F19 HydrophobicContact CG-CE1 4.4Å; P13-F19 HydrophobicContact CG-CZ 4.1Å | ||
| 14 | D | 87.8 | Confident | 86.2 | Confident | 151 Ų | 151 | 95.1 Ų | 95.1 | 81% | 0.807 | 53% | 0.526 | S | S | * | . | trans | -117.3 | -10.2 | 172.9 | 71.9 | 10 | 0 | 0 | 0 | 112.7 | T12 D18 | T12-D14 PolarHBondContact O-N 2.95Å; D14-D18 PolarHBondContact N-OD2 2.99Å | ||
| 15 | S | 89.5 | Confident | 87.4 | Confident | 49 Ų | 49 | 92.7 Ų | 92.7 | 34% | 0.343 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -144.5 | 158.7 | -178.3 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | N17 D18 | S15-N17 PolarHBondContact O-N 2.95Å; S15-N17 PolarHBondContact OG-N 2.87Å; S15-D18 PolarHBondContact N-OD2 3.02Å; S15-D18 WeakPolarHBondContact O-CB 3.18Å; S15-D18 PolarHBondContact O-N 3.41Å; S15-D18 VanDerWaalsContact O-N 3.13Å |
| 16 | E | 87.4 | Confident | 88.2 | Confident | 152 Ų | 152 | 92.6 Ų | 92.6 | 71% | 0.71 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -61.3 | -22.8 | 172.9 | -69.5 | -173.6 | 163.3 | 0 | 0 | 112.6 | D18 F19 | E16-D18 PolarHBondContact O-N 3.49Å; E16-F19 PolarHBondContact O-N 3.15Å |
| 17 | N | 89.1 | Confident | 88.8 | Confident | 146 Ų | 146 | 95.4 Ų | 95.4 | 78% | 0.781 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -72.2 | -13.5 | 177.8 | -66.1 | -30.3 | 0 | 0 | 0 | 113.8 | S15 | S15-N17 PolarHBondContact O-N 2.95Å; S15-N17 PolarHBondContact OG-N 2.87Å |
| 18 | D | 88.7 | Confident | 89 | Confident | 40 Ų | 40 | 95.6 Ų | 95.6 | 21% | 0.214 | 52% | 0.518 | C | S | . | . | G | 310 helix | trans | -79.6 | -7.8 | 175 | -58.5 | -40.5 | 0 | 0 | 0 | 111.9 | V11 P13 D14 S15 E16 Y22 | V11-D18 HydrophobicContact CG1-CB 4.43Å; P13-D18 WeakPolarHBondContact CA-OD2 3.42Å; P13-D18 HydrophobicContact CB-CB 4.1Å; D14-D18 PolarHBondContact N-OD2 2.99Å; S15-D18 PolarHBondContact N-OD2 3.02Å; S15-D18 WeakPolarHBondContact O-CB 3.18Å; S15-D18 PolarHBondContact O-N 3.41Å; S15-D18 VanDerWaalsContact O-N 3.13Å; E16-D18 PolarHBondContact O-N 3.49Å; D18-Y22 WeakPolarHBondContact O-CE2 3.38Å; D18-Y22 PolarHBondContact O-OH 3.26Å |
| 19 | F | 90.4 | Very high | 89.4 | Confident | 65 Ų | 65 | 97.3 Ų | 97.3 | 29% | 0.285 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -94.3 | 142 | 174.1 | -60.3 | -83.6 | 0 | 0 | 0 | 110.1 | P13 E16 L39 Q41 | P13-F19 HydrophobicContact CB-CE2 4.04Å; P13-F19 HydrophobicContact CB-CZ 3.8Å; P13-F19 HydrophobicContact CG-CE1 4.4Å; P13-F19 HydrophobicContact CG-CZ 4.1Å; E16-F19 PolarHBondContact O-N 3.15Å; F19-L39 HydrophobicContact CD1-CG 4.08Å; F19-L39 HydrophobicContact CE1-CG 4.47Å; F19-Q41 HydrophobicContact CD1-CB 3.98Å; F19-Q41 HydrophobicContact CE1-CB 3.9Å; F19-Q41 HydrophobicContact CE1-CG 4.23Å; F19-Q41 HydrophobicContact CE2-CG 4.46Å; F19-Q41 HydrophobicContact CG-CB 4.34Å; F19-Q41 HydrophobicContact CZ-CB 4.19Å; F19-Q41 HydrophobicContact CZ-CG 4.08Å |
| 20 | G | 90.6 | Very high | 89.7 | Confident | 25 Ų | 25 | 99.4 Ų | 99.4 | 26% | 0.258 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.3 | -157.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y22 I38 L39 | G20-Y22 WeakPolarHBondContact O-CD2 3.15Å; G20-I38 WeakPolarHBondContact O-CA 3.4Å; G20-L39 PolarHBondContact N-O 3.4Å; G20-L39 PolarHBondContact O-N 2.73Å |
| 21 | N | 93.4 | Very high | 89.9 | Confident | 94 Ų | 94 | 92.6 Ų | 92.6 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 129.8 | -171 | -62.5 | 15.7 | 0 | 0 | 0 | 110.9 | E36 F37 I38 | N21-E36 HydrophobicContact CB-CG 4.25Å; N21-E36 WeakPolarHBondContact CB-OE1 3.38Å; N21-E36 PolarHBondContact ND2-OE1 2.82Å; N21-F37 WeakPolarHBondContact CA-O 3.17Å; N21-I38 WeakPolarHBondContact OD1-CG1 3.24Å |
| 22 | Y | 91.4 | Very high | 90.3 | Very high | 57 Ų | 57 | 96.6 Ų | 96.6 | 22% | 0.224 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.9 | 173.5 | -71.2 | -92.8 | 0 | 0 | 0 | 109 | L9 V11 D18 G20 E36 F37 L39 | L9-Y22 HydrophobicContact CD2-CD1 3.55Å; L9-Y22 HydrophobicContact CD2-CE1 4Å; L9-Y22 HydrophobicContact CD2-CG 4.1Å; V11-Y22 HydrophobicContact CG2-CE1 4.34Å; D18-Y22 WeakPolarHBondContact O-CE2 3.38Å; D18-Y22 PolarHBondContact O-OH 3.26Å; G20-Y22 WeakPolarHBondContact O-CD2 3.15Å; Y22-E36 CarbonylContact O-C 3.59Å; Y22-E36 WeakPolarHBondContact O-CA 3.36Å; Y22-F37 HydrophobicContact CD2-CE2 4.24Å; Y22-F37 HydrophobicContact CG-CD2 4.41Å; Y22-F37 AromaticContact CG-CE2 3.81Å; Y22-F37 HydrophobicContact CG-CE2 3.81Å; Y22-F37 HydrophobicContact CG-CZ 4.21Å; Y22-F37 PolarHBondContact N-O 2.97Å; Y22-F37 WeakPolarHBondContact O-CD1 3.27Å; Y22-F37 PolarHBondContact O-N 3.05Å; Y22-L39 HydrophobicContact CD2-CB 4.03Å; Y22-L39 HydrophobicContact CE2-CB 3.72Å; Y22-L39 HydrophobicContact CE2-CD2 4.07Å |
| 23 | N | 91.8 | Very high | 90.5 | Very high | 97 Ų | 97 | 98.3 Ų | 98.3 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.3 | 177.2 | -85.2 | -58.5 | 0 | 0 | 0 | 110.1 | E36 | N23-E36 VanDerWaalsContact OD1-CA 3.3Å; N23-E36 WeakPolarHBondContact OD1-CA 3.35Å; N23-E36 VanDerWaalsContact OD1-CB 3.28Å; N23-E36 WeakPolarHBondContact OD1-CB 3.28Å |
| 24 | C | 90 | Very high | 90.8 | Very high | 65 Ų | 65 | 98.1 Ų | 98.1 | 44% | 0.439 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.6 | 167.4 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | S34 L35 F37 | C24-S34 CarbonylContact O-C 3.56Å; C24-S34 VanDerWaalsContact O-CA 3.23Å; C24-S34 WeakPolarHBondContact O-CA 3.22Å; C24-L35 PolarHBondContact N-O 2.89Å; C24-L35 PolarHBondContact O-N 2.82Å; C24-F37 HydrophobicContact CB-CE1 4.06Å |
| 25 | T | 90.6 | Very high | 91 | Very high | 66 Ų | 66 | 96.8 Ų | 96.8 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 120.9 | -178.6 | -63.9 | 0 | 0 | 0 | 0 | 110.4 | V27 Q32 E33 S34 | T25-V27 HydrophobicContact CG2-CG2 3.79Å; T25-Q32 HydrophobicContact CG2-CG 3.59Å; T25-E33 CarbonylContact C-O 3.56Å; T25-E33 WeakPolarHBondContact CA-O 3.13Å; T25-S34 WeakPolarHBondContact CB-OG 3.49Å; T25-S34 WeakPolarHBondContact CG2-OG 3.45Å; T25-S34 PolarHBondContact OG1-OG 2.86Å |
| 26 | A | 89.5 | Confident | 91.1 | Very high | 65 Ų | 65 | 99.4 Ų | 99.4 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q32 E33 | A26-Q32 WeakPolarHBondContact O-CA 3.49Å; A26-E33 PolarHBondContact N-O 3.08Å; A26-E33 PolarHBondContact O-N 2.62Å |
| 27 | V | 91.4 | Very high | 91.1 | Very high | 104 Ų | 104 | 96.2 Ų | 96.2 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.4 | -178.2 | -170.3 | 0 | 0 | 0 | 0 | 110.3 | T25 Q32 | T25-V27 HydrophobicContact CG2-CG2 3.79Å; V27-Q32 HydrophobicContact CG1-CB 4.46Å; V27-Q32 HydrophobicContact CG2-CB 4.17Å; V27-Q32 HydrophobicContact CG2-CG 3.94Å |
| 28 | N | 88.8 | Confident | 91.1 | Very high | 108 Ų | 108 | 94.2 Ų | 94.2 | 58% | 0.578 | 50% | 0.498 | S | S | * | . | trans | -133.1 | -179.2 | 170 | 71.6 | 29.8 | 0 | 0 | 0 | 110.9 | I30 G31 | N28-I30 PolarHBondContact O-N 2.65Å; N28-I30 VanDerWaalsContact O-N 3.12Å; N28-I30 WeakPolarHBondContact OD1-CA 3.33Å; N28-I30 VanDerWaalsContact OD1-CB 3.31Å; N28-I30 WeakPolarHBondContact OD1-CB 3.39Å; N28-I30 PolarHBondContact OD1-N 2.8Å; N28-G31 PolarHBondContact N-O 3.11Å; N28-G31 PolarHBondContact O-N 2.97Å; N28-G31 PolarHBondContact OD1-N 3Å; N28-G31 PolarHBondContact OD1-O 2.89Å | ||
| 29 | R | 93 | Very high | 91.1 | Very high | 244 Ų | 244 | 94.9 Ų | 94.9 | 92% | 0.921 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -64.8 | -12.7 | -179.4 | 67.8 | 179.7 | 178.2 | 179.3 | -0.9 | 115.1 | ||
| 30 | I | 92.4 | Very high | 91 | Very high | 147 Ų | 147 | 96.6 Ų | 96.6 | 75% | 0.754 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -100.6 | -30.8 | -177.8 | -52.7 | -58.9 | 0 | 0 | 0 | 110.8 | N28 | N28-I30 PolarHBondContact O-N 2.65Å; N28-I30 VanDerWaalsContact O-N 3.12Å; N28-I30 WeakPolarHBondContact OD1-CA 3.33Å; N28-I30 VanDerWaalsContact OD1-CB 3.31Å; N28-I30 WeakPolarHBondContact OD1-CB 3.39Å; N28-I30 PolarHBondContact OD1-N 2.8Å |
| 31 | G | 92.1 | Very high | 90.9 | Very high | 38 Ų | 38 | 100.9 Ų | 100.9 | 39% | 0.392 | 53% | 0.53 | S | S | . | . | trans | 176.8 | -171.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N28 | N28-G31 PolarHBondContact N-O 3.11Å; N28-G31 PolarHBondContact O-N 2.97Å; N28-G31 PolarHBondContact OD1-N 3Å; N28-G31 PolarHBondContact OD1-O 2.89Å | ||
| 32 | Q | 94.3 | Very high | 90.7 | Very high | 132 Ų | 132 | 97.7 Ų | 97.7 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.3 | 178.9 | 169.9 | 176.8 | -12.6 | 0 | 0 | 109.3 | T25 A26 V27 | T25-Q32 HydrophobicContact CG2-CG 3.59Å; A26-Q32 WeakPolarHBondContact O-CA 3.49Å; V27-Q32 HydrophobicContact CG1-CB 4.46Å; V27-Q32 HydrophobicContact CG2-CB 4.17Å; V27-Q32 HydrophobicContact CG2-CG 3.94Å |
| 33 | E | 93 | Very high | 90.8 | Very high | 156 Ų | 156 | 100 Ų | 100 | 73% | 0.729 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149.3 | 171.7 | -170.2 | 166.4 | -164 | 0 | 0 | 109.1 | T25 A26 | T25-E33 CarbonylContact C-O 3.56Å; T25-E33 WeakPolarHBondContact CA-O 3.13Å; A26-E33 PolarHBondContact N-O 3.08Å; A26-E33 PolarHBondContact O-N 2.62Å |
| 34 | S | 91.8 | Very high | 90.9 | Very high | 60 Ų | 60 | 97.8 Ų | 97.8 | 42% | 0.42 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 141.5 | -179.3 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | C24 T25 | C24-S34 CarbonylContact O-C 3.56Å; C24-S34 VanDerWaalsContact O-CA 3.23Å; C24-S34 WeakPolarHBondContact O-CA 3.22Å; T25-S34 WeakPolarHBondContact CB-OG 3.49Å; T25-S34 WeakPolarHBondContact CG2-OG 3.45Å; T25-S34 PolarHBondContact OG1-OG 2.86Å |
| 35 | L | 91.7 | Very high | 91.3 | Very high | 123 Ų | 123 | 94.8 Ų | 94.8 | 64% | 0.644 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.3 | 174.8 | -175.2 | 67 | 0 | 0 | 0 | 109.4 | C24 | C24-L35 PolarHBondContact N-O 2.89Å; C24-L35 PolarHBondContact O-N 2.82Å |
| 36 | E | 91.3 | Very high | 91.6 | Very high | 103 Ų | 103 | 93.2 Ų | 93.2 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 141.4 | 175.6 | -169.8 | 176.9 | -125.8 | 0 | 0 | 110.5 | N21 Y22 N23 | N21-E36 HydrophobicContact CB-CG 4.25Å; N21-E36 WeakPolarHBondContact CB-OE1 3.38Å; N21-E36 PolarHBondContact ND2-OE1 2.82Å; Y22-E36 CarbonylContact O-C 3.59Å; Y22-E36 WeakPolarHBondContact O-CA 3.36Å; N23-E36 VanDerWaalsContact OD1-CA 3.3Å; N23-E36 WeakPolarHBondContact OD1-CA 3.35Å; N23-E36 VanDerWaalsContact OD1-CB 3.28Å; N23-E36 WeakPolarHBondContact OD1-CB 3.28Å |
| 37 | F | 88.4 | Confident | 92 | Very high | 86 Ų | 86 | 92.2 Ų | 92.2 | 38% | 0.377 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 151.8 | 168.4 | 53.9 | -83.2 | 0 | 0 | 0 | 110.1 | L9 N21 Y22 C24 | L9-F37 HydrophobicContact CD2-CE2 3.89Å; L9-F37 HydrophobicContact CD2-CZ 3.7Å; N21-F37 WeakPolarHBondContact CA-O 3.17Å; Y22-F37 HydrophobicContact CD2-CE2 4.24Å; Y22-F37 HydrophobicContact CG-CD2 4.41Å; Y22-F37 AromaticContact CG-CE2 3.81Å; Y22-F37 HydrophobicContact CG-CE2 3.81Å; Y22-F37 HydrophobicContact CG-CZ 4.21Å; Y22-F37 PolarHBondContact N-O 2.97Å; Y22-F37 WeakPolarHBondContact O-CD1 3.27Å; Y22-F37 PolarHBondContact O-N 3.05Å; C24-F37 HydrophobicContact CB-CE1 4.06Å |
| 38 | I | 88.4 | Confident | 92.3 | Very high | 103 Ų | 103 | 87.3 Ų | 87.3 | 53% | 0.528 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.1 | -175.3 | -51.3 | 179.7 | 0 | 0 | 0 | 108.4 | G20 N21 V40 | G20-I38 WeakPolarHBondContact O-CA 3.4Å; N21-I38 WeakPolarHBondContact OD1-CG1 3.24Å; I38-V40 HydrophobicContact CG2-CG1 3.86Å |
| 39 | L | 88.1 | Confident | 92.6 | Very high | 55 Ų | 55 | 85 Ų | 85 | 29% | 0.288 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 112.8 | 169.7 | -174.9 | 59.6 | 0 | 0 | 0 | 108.7 | V11 F19 G20 Y22 | V11-L39 HydrophobicContact CB-CD2 4.11Å; V11-L39 HydrophobicContact CG1-CD2 3.85Å; V11-L39 HydrophobicContact CG2-CD2 4.39Å; F19-L39 HydrophobicContact CD1-CG 4.08Å; F19-L39 HydrophobicContact CE1-CG 4.47Å; G20-L39 PolarHBondContact N-O 3.4Å; G20-L39 PolarHBondContact O-N 2.73Å; Y22-L39 HydrophobicContact CD2-CB 4.03Å; Y22-L39 HydrophobicContact CE2-CB 3.72Å; Y22-L39 HydrophobicContact CE2-CD2 4.07Å |
| 40 | V | 88.4 | Confident | 92.8 | Very high | 101 Ų | 101 | 74.8 Ų | 74.8 | 61% | 0.612 | 41% | 0.409 | S | S | * | . | trans | -104.1 | 148.7 | 179.5 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | I38 A42 | I38-V40 HydrophobicContact CG2-CG1 3.86Å; V40-A42 PolarHBondContact O-N 3.44Å | ||
| 41 | Q | 88.6 | Confident | 92.8 | Very high | 115 Ų | 115 | 71.8 Ų | 71.8 | 54% | 0.537 | 40% | 0.395 | S | S | . | . | trans | -72.5 | 123 | 175 | -169.3 | 176.8 | 15.2 | 0 | 0 | 109.7 | F19 | F19-Q41 HydrophobicContact CD1-CB 3.98Å; F19-Q41 HydrophobicContact CE1-CB 3.9Å; F19-Q41 HydrophobicContact CE1-CG 4.23Å; F19-Q41 HydrophobicContact CE2-CG 4.46Å; F19-Q41 HydrophobicContact CG-CB 4.34Å; F19-Q41 HydrophobicContact CZ-CB 4.19Å; F19-Q41 HydrophobicContact CZ-CG 4.08Å | ||
| 42 | A | 90.1 | Very high | 92.8 | Very high | 26 Ų | 26 | 75 Ų | 75 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | trans | -72.9 | 141.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V40 G71 V73 | V40-A42 PolarHBondContact O-N 3.44Å; A42-G71 CarbonylContact C-O 3.56Å; A42-G71 WeakPolarHBondContact CA-O 3.42Å; A42-V73 HydrophobicContact CB-CG1 3.7Å; A42-V73 HydrophobicContact CB-CG2 4.02Å | ||
| 43 | D | 92.3 | Very high | 92.9 | Very high | 105 Ų | 105 | 69.6 Ų | 69.6 | 56% | 0.561 | 38% | 0.376 | S | S | * | . | trans | -108.4 | 170.5 | 172.9 | -150.9 | -19.7 | 0 | 0 | 0 | 110.5 | G71 N125 | D43-G71 PolarHBondContact N-O 3.39Å; D43-G71 WeakPolarHBondContact O-CA 3.36Å; D43-N125 PolarHBondContact O-ND2 2.89Å | ||
| 44 | T | 95.2 | Very high | 92.9 | Very high | 51 Ų | 51 | 65.6 Ų | 65.6 | 31% | 0.313 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 158 | 167.9 | 59.3 | 0 | 0 | 0 | 0 | 111.1 | K127 | T44-K127 HydrophobicContact CG2-CB 4.4Å; T44-K127 HydrophobicContact CG2-CG 3.98Å |
| 45 | P | 97.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.019 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 154.5 | 179.7 | -22.3 | 36.4 | 0 | 0 | 0 | 113.1 | P67 A69 I75 A123 N125 G130 E131 | P45-P67 HydrophobicContact CB-CB 4.38Å; P45-P67 HydrophobicContact CB-CG 4.28Å; P45-A69 CarbonylContact C-O 3.5Å; P45-A69 WeakPolarHBondContact CA-O 3.22Å; P45-I75 HydrophobicContact CB-CD1 3.58Å; P45-I75 HydrophobicContact CG-CD1 3.3Å; P45-A123 HydrophobicContact CB-CB 3.83Å; P45-A123 HydrophobicContact CG-CB 4.08Å; P45-N125 VanDerWaalsContact CD-CG 3.5Å; P45-N125 WeakPolarHBondContact CD-ND2 3.44Å; P45-N125 HydrophobicContact CG-CB 3.76Å; P45-G130 CarbonylContact O-C 3.58Å; P45-G130 WeakPolarHBondContact O-CA 3.45Å; P45-E131 PolarHBondContact O-N 3.19Å; P45-E131 VanDerWaalsContact O-N 3.07Å |
| 46 | S | 97.8 | Very high | 92.6 | Very high | 32 Ų | 32 | 61.9 Ų | 61.9 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 172.6 | 163.8 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | P67 E68 A69 | S46-P67 VanDerWaalsContact O-CB 3.3Å; S46-P67 WeakPolarHBondContact O-CB 3.3Å; S46-P67 WeakPolarHBondContact O-CG 3.39Å; S46-P67 WeakPolarHBondContact OG-CB 3.46Å; S46-E68 PolarHBondContact OG-N 3.16Å; S46-A69 PolarHBondContact N-O 2.95Å; S46-A69 PolarHBondContact OG-N 2.94Å; S46-A69 PolarHBondContact OG-O 3.49Å |
| 47 | S | 97.3 | Very high | 92.4 | Very high | 44 Ų | 44 | 58.9 Ų | 58.9 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 136.1 | 178.1 | 60.7 | 0 | 0 | 0 | 0 | 111.9 | E131 | S47-E131 WeakPolarHBondContact CA-O 3.38Š|
| 48 | P | 96.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.013 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 155.2 | 163.8 | -16.6 | 29.5 | 0 | 0 | 0 | 111.4 | F64 P67 Y78 L121 A123 S133 | P48-F64 HydrophobicContact CB-CD2 4.18Å; P48-P67 HydrophobicContact CG-CG 4.01Å; P48-Y78 HydrophobicContact CG-CD1 4.06Å; P48-Y78 HydrophobicContact CG-CE1 4.03Å; P48-L121 HydrophobicContact CB-CB 4.23Å; P48-L121 HydrophobicContact CG-CB 4.17Å; P48-A123 HydrophobicContact CG-CB 4.16Å; P48-S133 WeakPolarHBondContact O-CB 3.37Å |
| 49 | S | 96.3 | Very high | 92.1 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 42% | 0.42 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.8 | 173.9 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | D51 F64 D65 | S49-D51 PolarHBondContact OG-OD1 3.5Å; S49-F64 CarbonylContact O-C 3.58Å; S49-F64 WeakPolarHBondContact O-CA 2.88Å; S49-F64 WeakPolarHBondContact O-CB 3.47Å; S49-D65 PolarHBondContact N-O 2.88Å; S49-D65 VanDerWaalsContact N-O 3.12Å; S49-D65 PolarHBondContact O-N 3.11Å |
| 50 | I | 96.9 | Very high | 92.1 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 115.4 | 172.8 | -63.6 | 171 | 0 | 0 | 0 | 108.1 | V53 V62 V119 L121 S133 | I50-V53 HydrophobicContact CG2-CG2 3.86Å; I50-V62 HydrophobicContact CD1-CG1 4.43Å; I50-V62 HydrophobicContact CG1-CG1 4.19Å; I50-V62 HydrophobicContact CG2-CG1 3.87Å; I50-V119 HydrophobicContact CD1-CG1 4.46Å; I50-L121 HydrophobicContact CD1-CD1 4.31Å; I50-L121 HydrophobicContact CD1-CG 4.07Å; I50-L121 HydrophobicContact CG1-CD1 3.76Å; I50-L121 HydrophobicContact CG1-CG 4.06Å; I50-S133 WeakPolarHBondContact CD1-OG 3.3Å |
| 51 | D | 93.1 | Very high | 92.3 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -45.4 | -175.6 | -48.4 | -50.3 | 0 | 0 | 0 | 111.2 | S49 Q63 F64 D65 | S49-D51 PolarHBondContact OG-OD1 3.5Å; D51-Q63 PolarHBondContact N-O 2.84Å; D51-F64 VanDerWaalsContact OD2-C 3.28Å; D51-F64 WeakPolarHBondContact OD2-CA 3.36Å; D51-D65 PolarHBondContact OD2-N 2.88Å; D51-D65 VanDerWaalsContact OD2-N 3.15Å |
| 52 | Q | 92.1 | Very high | 92.7 | Very high | 105 Ų | 105 | 44.2 Ų | 44.2 | 49% | 0.491 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 144.1 | -179.3 | -171.4 | 173.2 | -2.8 | 0 | 0 | 111.6 | Q63 | Q52-Q63 HydrophobicContact CB-CB 4.3Å; Q52-Q63 PolarHBondContact N-O 3.29Å; Q52-Q63 PolarHBondContact O-N 3.41Å |
| 53 | V | 95.9 | Very high | 92.9 | Very high | 19 Ų | 19 | 46 Ų | 46 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 118.2 | 167.6 | -172.6 | 0 | 0 | 0 | 0 | 108.4 | I50 P55 A60 Q61 V62 V119 F138 | I50-V53 HydrophobicContact CG2-CG2 3.86Å; V53-P55 VanDerWaalsContact O-CD 3.31Å; V53-P55 WeakPolarHBondContact O-CD 3.42Å; V53-A60 HydrophobicContact CG1-CB 4.05Å; V53-Q61 CarbonylContact C-O 3.54Å; V53-Q61 WeakPolarHBondContact CA-O 3.41Å; V53-V62 HydrophobicContact CG1-CG2 4.21Å; V53-V62 HydrophobicContact CG2-CG1 4.33Å; V53-V62 HydrophobicContact CG2-CG2 4.4Å; V53-V119 HydrophobicContact CG2-CG1 3.88Å; V53-F138 HydrophobicContact CB-CB 4.29Å; V53-F138 HydrophobicContact CB-CD1 4.31Å; V53-F138 HydrophobicContact CB-CG 4.4Å; V53-F138 HydrophobicContact CG1-CB 4.04Å; V53-F138 HydrophobicContact CG1-CD1 3.58Å; V53-F138 HydrophobicContact CG1-CD2 4.21Å; V53-F138 HydrophobicContact CG1-CE1 4Å; V53-F138 HydrophobicContact CG1-CG 3.67Å; V53-F138 HydrophobicContact CG1-CZ 4.45Å |
| 54 | E | 92.3 | Very high | 93.2 | Very high | 73 Ų | 73 | 41.4 Ų | 41.4 | 34% | 0.341 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 108.5 | 174.2 | -169.8 | 174.7 | 164.7 | 0 | 0 | 109.7 | Y56 A60 Q61 | E54-Y56 HydrophobicContact CG-CE2 4.3Å; E54-Y56 PolarHBondContact OE1-OH 3.31Å; E54-A60 WeakPolarHBondContact O-CA 3.25Å; E54-Q61 HydrophobicContact CB-CB 4.43Å; E54-Q61 PolarHBondContact N-O 2.86Å; E54-Q61 PolarHBondContact O-N 2.79Å |
| 55 | P | 89.6 | Confident | 93.1 | Very high | 32 Ų | 32 | 43.6 Ų | 43.6 | 21% | 0.208 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 138 | -175.7 | 34.8 | -34.6 | 0 | 0 | 0 | 112.4 | V53 F138 K139 Q141 | V53-P55 VanDerWaalsContact O-CD 3.31Å; V53-P55 WeakPolarHBondContact O-CD 3.42Å; P55-F138 HydrophobicContact CB-CD2 3.8Å; P55-K139 WeakPolarHBondContact CB-O 3.36Å; P55-K139 WeakPolarHBondContact CG-O 3.46Å; P55-Q141 WeakPolarHBondContact O-CG 3.43Å; P55-Q141 PolarHBondContact O-NE2 3.41Å |
| 56 | Y | 88.9 | Confident | 93 | Very high | 72 Ų | 72 | 48.8 Ų | 48.8 | 28% | 0.282 | 26% | 0.264 | S | S | . | . | trans | -114.6 | -172.9 | 168.4 | -57.5 | -78.1 | 0 | 0 | 0 | 110.1 | E54 T59 Q61 T140 Q141 | E54-Y56 HydrophobicContact CG-CE2 4.3Å; E54-Y56 PolarHBondContact OE1-OH 3.31Å; Y56-T59 WeakPolarHBondContact CA-O 3.43Å; Y56-T59 WeakPolarHBondContact CB-O 3.39Å; Y56-T59 WeakPolarHBondContact CB-OG1 3.29Å; Y56-T59 WeakPolarHBondContact CD2-OG1 3.18Å; Y56-T59 PolarHBondContact N-O 2.81Å; Y56-Q61 HydrophobicContact CE2-CB 4.42Å; Y56-Q61 HydrophobicContact CE2-CG 4.02Å; Y56-Q61 PolarHBondContact OH-OE1 3.28Å; Y56-T140 VanDerWaalsContact O-CA 3.3Å; Y56-T140 WeakPolarHBondContact O-CA 3.34Å; Y56-T140 WeakPolarHBondContact O-CB 3.32Å; Y56-T140 WeakPolarHBondContact O-CG2 3.28Å; Y56-Q141 PolarHBondContact O-N 2.88Å | ||
| 57 | S | 87.2 | Confident | 92.9 | Very high | 41 Ų | 41 | 47.8 Ų | 47.8 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -68.4 | -35.2 | -177.9 | 59 | 0 | 0 | 0 | 0 | 113.6 | K112 P113 Q141 | S57-K112 CarbonylContact O-C 3.55Å; S57-P113 WeakPolarHBondContact O-CA 3.41Å; S57-P113 WeakPolarHBondContact O-CG 3.3Å; S57-Q141 WeakPolarHBondContact CA-O 3.28Å |
| 58 | S | 84 | Confident | 92.8 | Very high | 54 Ų | 54 | 55.2 Ų | 55.2 | 38% | 0.378 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -135.1 | 6.2 | -178.3 | 62 | 0 | 0 | 0 | 0 | 114.6 | G110 L111 | S58-G110 PolarHBondContact O-N 2.81Å; S58-L111 VanDerWaalsContact CA-O 3.27Å; S58-L111 WeakPolarHBondContact CA-O 3.47Å; S58-L111 WeakPolarHBondContact CB-O 3.29Å; S58-L111 PolarHBondContact O-N 3.13Å |
| 59 | T | 85.8 | Confident | 92.5 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 23% | 0.233 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 163.9 | -179.3 | 63 | 0 | 0 | 0 | 0 | 110.2 | Y56 I108 V109 | Y56-T59 WeakPolarHBondContact CA-O 3.43Å; Y56-T59 WeakPolarHBondContact CB-O 3.39Å; Y56-T59 WeakPolarHBondContact CB-OG1 3.29Å; Y56-T59 WeakPolarHBondContact CD2-OG1 3.18Å; Y56-T59 PolarHBondContact N-O 2.81Å; T59-I108 CarbonylContact C-O 3.57Å; T59-I108 WeakPolarHBondContact CA-O 3.31Å; T59-I108 VanDerWaalsContact CB-O 3.28Å; T59-I108 WeakPolarHBondContact CB-O 3.43Å; T59-V109 HydrophobicContact CG2-CB 4.25Å; T59-V109 HydrophobicContact CG2-CG1 3.91Å |
| 60 | A | 87.9 | Confident | 92.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 132.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | V53 E54 I108 L111 F138 | V53-A60 HydrophobicContact CG1-CB 4.05Å; E54-A60 WeakPolarHBondContact O-CA 3.25Å; A60-I108 PolarHBondContact N-O 3.23Å; A60-I108 PolarHBondContact O-N 3.3Å; A60-L111 HydrophobicContact CB-CD1 3.8Å; A60-F138 HydrophobicContact CB-CD2 4.26Å; A60-F138 HydrophobicContact CB-CE1 4.39Å; A60-F138 HydrophobicContact CB-CE2 3.5Å; A60-F138 VanDerWaalsContact CB-CE2 3.5Å; A60-F138 HydrophobicContact CB-CZ 3.56Å |
| 61 | Q | 93.2 | Very high | 92.1 | Very high | 60 Ų | 60 | 57 Ų | 57 | 28% | 0.28 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 123.2 | 170.9 | -74.6 | -177.2 | -38 | 0 | 0 | 108.6 | V53 E54 Y56 I105 T107 | V53-Q61 CarbonylContact C-O 3.54Å; V53-Q61 WeakPolarHBondContact CA-O 3.41Å; E54-Q61 HydrophobicContact CB-CB 4.43Å; E54-Q61 PolarHBondContact N-O 2.86Å; E54-Q61 PolarHBondContact O-N 2.79Å; Y56-Q61 HydrophobicContact CE2-CB 4.42Å; Y56-Q61 HydrophobicContact CE2-CG 4.02Å; Y56-Q61 PolarHBondContact OH-OE1 3.28Å; Q61-I105 HydrophobicContact CB-CG2 4.16Å; Q61-I105 HydrophobicContact CG-CG2 4.35Å; Q61-T107 HydrophobicContact CG-CG2 4.41Å |
| 62 | V | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 109.8 | -178.8 | -176.7 | 0 | 0 | 0 | 0 | 107.2 | I50 V53 I105 V106 I108 V119 L121 | I50-V62 HydrophobicContact CD1-CG1 4.43Å; I50-V62 HydrophobicContact CG1-CG1 4.19Å; I50-V62 HydrophobicContact CG2-CG1 3.87Å; V53-V62 HydrophobicContact CG1-CG2 4.21Å; V53-V62 HydrophobicContact CG2-CG1 4.33Å; V53-V62 HydrophobicContact CG2-CG2 4.4Å; V62-I105 CarbonylContact O-C 3.59Å; V62-I105 VanDerWaalsContact O-CA 3.32Å; V62-I105 WeakPolarHBondContact O-CA 3.18Å; V62-V106 HydrophobicContact CB-CG2 3.8Å; V62-V106 HydrophobicContact CG1-CG2 4.39Å; V62-V106 HydrophobicContact CG2-CG2 4.42Å; V62-V106 PolarHBondContact N-O 2.99Å; V62-V106 PolarHBondContact O-N 2.99Å; V62-I108 HydrophobicContact CG2-CD1 3.95Å; V62-I108 HydrophobicContact CG2-CG1 4.41Å; V62-V119 HydrophobicContact CG2-CG1 4.39Å; V62-V119 HydrophobicContact CG2-CG2 4.17Å; V62-L121 HydrophobicContact CG1-CD1 4.03Å |
| 63 | Q | 95.1 | Very high | 91.8 | Very high | 63 Ų | 63 | 53.3 Ų | 53.3 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 133 | 170.5 | -70.4 | 170.2 | 44.5 | 0 | 0 | 108.7 | D51 Q52 G104 I105 | D51-Q63 PolarHBondContact N-O 2.84Å; Q52-Q63 HydrophobicContact CB-CB 4.3Å; Q52-Q63 PolarHBondContact N-O 3.29Å; Q52-Q63 PolarHBondContact O-N 3.41Å; Q63-G104 WeakPolarHBondContact CA-O 3.41Å; Q63-I105 HydrophobicContact CG-CD1 4.27Å; Q63-I105 HydrophobicContact CG-CG1 3.78Å |
| 64 | F | 97.4 | Very high | 91.6 | Very high | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 149.8 | -174.6 | 77.2 | -79.6 | 0 | 0 | 0 | 112.1 | P48 S49 D51 Y78 A100 G104 V106 L121 | P48-F64 HydrophobicContact CB-CD2 4.18Å; S49-F64 CarbonylContact O-C 3.58Å; S49-F64 WeakPolarHBondContact O-CA 2.88Å; S49-F64 WeakPolarHBondContact O-CB 3.47Å; D51-F64 VanDerWaalsContact OD2-C 3.28Å; D51-F64 WeakPolarHBondContact OD2-CA 3.36Å; F64-Y78 HydrophobicContact CE2-CD1 4.09Å; F64-Y78 HydrophobicContact CE2-CD2 4.16Å; F64-Y78 AromaticContact CE2-CE1 3.81Å; F64-Y78 HydrophobicContact CE2-CE1 3.81Å; F64-Y78 AromaticContact CE2-CE2 3.89Å; F64-Y78 HydrophobicContact CE2-CE2 3.89Å; F64-Y78 HydrophobicContact CE2-CG 4.25Å; F64-Y78 AromaticContact CE2-CZ 3.7Å; F64-Y78 AromaticContact CZ-CD2 3.95Å; F64-Y78 HydrophobicContact CZ-CD2 3.95Å; F64-Y78 AromaticContact CZ-CE2 3.9Å; F64-Y78 HydrophobicContact CZ-CE2 3.9Å; F64-Y78 HydrophobicContact CZ-CG 4.29Å; F64-A100 HydrophobicContact CE1-CB 4.22Å; F64-A100 HydrophobicContact CZ-CB 3.91Å; F64-G104 PolarHBondContact N-O 2.79Å; F64-V106 HydrophobicContact CD1-CG1 4.4Å; F64-V106 HydrophobicContact CE1-CG1 3.77Å; F64-V106 HydrophobicContact CZ-CG1 4.45Å; F64-L121 HydrophobicContact CB-CD1 3.48Å; F64-L121 VanDerWaalsContact CB-CD1 3.48Å; F64-L121 HydrophobicContact CD1-CD1 4.1Å; F64-L121 HydrophobicContact CD2-CD1 4.11Å; F64-L121 HydrophobicContact CG-CD1 3.61Å |
| 65 | D | 94.8 | Very high | 91.7 | Very high | 98 Ų | 98 | 54.6 Ų | 54.6 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 144.9 | 168.4 | -75.7 | -32.9 | 0 | 0 | 0 | 110.8 | S49 D51 | S49-D65 PolarHBondContact N-O 2.88Å; S49-D65 VanDerWaalsContact N-O 3.12Å; S49-D65 PolarHBondContact O-N 3.11Å; D51-D65 PolarHBondContact OD2-N 2.88Å; D51-D65 VanDerWaalsContact OD2-N 3.15Å |
| 66 | E | 94.3 | Very high | 91.9 | Very high | 112 Ų | 112 | 57.4 Ų | 57.4 | 52% | 0.523 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 155.9 | 175.8 | -58.7 | -164.3 | 119.4 | 0 | 0 | 112.1 | E68 Y78 S101 | E66-E68 PolarHBondContact O-N 3.01Å; E66-Y78 WeakPolarHBondContact CG-OH 3.13Å; E66-Y78 PolarHBondContact OE1-OH 2.86Å; E66-S101 WeakPolarHBondContact OE1-CB 3.14Å; E66-S101 PolarHBondContact OE1-OG 2.85Å |
| 67 | P | 96.2 | Very high | 92.2 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 132.7 | 172.2 | -27.6 | 35.5 | 0 | 0 | 0 | 113.1 | P45 S46 P48 A69 Y78 A123 | P45-P67 HydrophobicContact CB-CB 4.38Å; P45-P67 HydrophobicContact CB-CG 4.28Å; S46-P67 VanDerWaalsContact O-CB 3.3Å; S46-P67 WeakPolarHBondContact O-CB 3.3Å; S46-P67 WeakPolarHBondContact O-CG 3.39Å; S46-P67 WeakPolarHBondContact OG-CB 3.46Å; P48-P67 HydrophobicContact CG-CG 4.01Å; P67-A69 PolarHBondContact O-N 2.93Å; P67-Y78 HydrophobicContact CG-CE1 4.4Å; P67-A123 HydrophobicContact CG-CB 3.58Å |
| 68 | E | 94.1 | Very high | 92.7 | Very high | 201 Ų | 201 | 56.5 Ų | 56.5 | 94% | 0.939 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -56.4 | -34.3 | 173.1 | -67 | -172.2 | 171.4 | 0 | 0 | 112.6 | S46 E66 | S46-E68 PolarHBondContact OG-N 3.16Å; E66-E68 PolarHBondContact O-N 3.01Å |
| 69 | A | 92.1 | Very high | 93.4 | Very high | 54 Ų | 54 | 55.7 Ų | 55.7 | 45% | 0.446 | 32% | 0.315 | S | S | . | . | trans | -123.4 | 121.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | P45 S46 P67 G71 | P45-A69 CarbonylContact C-O 3.5Å; P45-A69 WeakPolarHBondContact CA-O 3.22Å; S46-A69 PolarHBondContact N-O 2.95Å; S46-A69 PolarHBondContact OG-N 2.94Å; S46-A69 PolarHBondContact OG-O 3.49Å; P67-A69 PolarHBondContact O-N 2.93Å; A69-G71 VanDerWaalsContact C-N 3.28Å; A69-G71 PolarHBondContact O-N 2.93Å | ||
| 70 | T | 92.6 | Very high | 94 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | trans | -82 | -7 | 176.1 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | V73 I75 N125 | T70-V73 WeakPolarHBondContact CB-O 3.49Å; T70-V73 VanDerWaalsContact O-O 3.13Å; T70-I75 HydrophobicContact CG2-CD1 4.09Å; T70-I75 HydrophobicContact CG2-CG1 4.02Å; T70-N125 PolarHBondContact O-ND2 3.07Å | ||
| 71 | G | 91.3 | Very high | 94.5 | Very high | 15 Ų | 15 | 54.8 Ų | 54.8 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 20.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A42 D43 A69 V73 | A42-G71 CarbonylContact C-O 3.56Å; A42-G71 WeakPolarHBondContact CA-O 3.42Å; D43-G71 PolarHBondContact N-O 3.39Å; D43-G71 WeakPolarHBondContact O-CA 3.36Å; A69-G71 VanDerWaalsContact C-N 3.28Å; A69-G71 PolarHBondContact O-N 2.93Å; G71-V73 VanDerWaalsContact C-N 3.3Å; G71-V73 PolarHBondContact O-N 2.93Å |
| 72 | G | 87.9 | Confident | 94.7 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 70% | 0.701 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -1.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 73 | V | 91.8 | Very high | 94.8 | Very high | 44 Ų | 44 | 57.3 Ų | 57.3 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -133.1 | 151.7 | 175.1 | -67.3 | 0 | 0 | 0 | 0 | 110.1 | A42 T70 G71 N125 | A42-V73 HydrophobicContact CB-CG1 3.7Å; A42-V73 HydrophobicContact CB-CG2 4.02Å; T70-V73 WeakPolarHBondContact CB-O 3.49Å; T70-V73 VanDerWaalsContact O-O 3.13Å; G71-V73 VanDerWaalsContact C-N 3.3Å; G71-V73 PolarHBondContact O-N 2.93Å; V73-N125 HydrophobicContact CG2-CB 3.93Å; V73-N125 WeakPolarHBondContact CG2-ND2 3.4Å |
| 74 | P | 91.6 | Very high | 94.9 | Very high | 96 Ų | 96 | 54.7 Ų | 54.7 | 62% | 0.623 | 30% | 0.304 | S | S | * | . | trans | -65.9 | 147.2 | -172.9 | 25.8 | -35.3 | 0 | 0 | 0 | 113.1 | N125 | P74-N125 WeakPolarHBondContact O-CB 3.38Š| ||
| 75 | I | 94.8 | Very high | 94.7 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 135.5 | 171.1 | -50.6 | -55.6 | 0 | 0 | 0 | 109.2 | P45 T70 Y78 A97 A123 N125 | P45-I75 HydrophobicContact CB-CD1 3.58Å; P45-I75 HydrophobicContact CG-CD1 3.3Å; T70-I75 HydrophobicContact CG2-CD1 4.09Å; T70-I75 HydrophobicContact CG2-CG1 4.02Å; I75-Y78 HydrophobicContact CG2-CE1 4.17Å; I75-Y78 HydrophobicContact CG2-CE2 4.26Å; I75-A97 HydrophobicContact CB-CB 4.32Å; I75-A97 HydrophobicContact CG2-CB 3.94Å; I75-A123 HydrophobicContact CD1-CB 4.15Å; I75-A123 HydrophobicContact CG2-CB 4.01Å; I75-N125 HydrophobicContact CD1-CB 4.27Å |
| 76 | L | 92.1 | Very high | 94.4 | Very high | 90 Ų | 90 | 57.2 Ų | 57.2 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -40.8 | -179.7 | -58.9 | 178 | 0 | 0 | 0 | 111.7 | A97 L124 | L76-A97 VanDerWaalsContact O-CB 3.28Å; L76-A97 WeakPolarHBondContact O-CB 3.35Å; L76-A97 PolarHBondContact O-N 3.01Å; L76-A97 VanDerWaalsContact O-N 3.11Å; L76-L124 PolarHBondContact N-O 3Å |
| 77 | K | 96.6 | Very high | 94.3 | Very high | 94 Ų | 94 | 55.5 Ų | 55.5 | 41% | 0.409 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 159 | -177.3 | -62.5 | -172.6 | 179.1 | 179.8 | 0 | 112.3 | W94 Y95 L124 | K77-W94 HydrophobicContact CB-CE3 3.88Å; K77-W94 HydrophobicContact CB-CZ3 4.26Å; K77-W94 HydrophobicContact CD-CE3 4.37Å; K77-Y95 CarbonylContact C-O 3.5Å; K77-Y95 WeakPolarHBondContact CA-O 3.5Å; K77-Y95 VanDerWaalsContact CB-O 3.27Å; K77-Y95 WeakPolarHBondContact CB-O 3.19Å; K77-L124 HydrophobicContact CB-CB 4.36Å; K77-L124 HydrophobicContact CB-CD2 4.27Å; K77-L124 PolarHBondContact N-O 2.86Å; K77-L124 PolarHBondContact O-N 3.48Å |
| 78 | Y | 98 | Very high | 94 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 143.1 | 165.1 | -65.7 | -78.1 | 0 | 0 | 0 | 110.7 | P48 F64 E66 P67 I75 W94 Y95 A97 A100 S101 A122 A123 | P48-Y78 HydrophobicContact CG-CD1 4.06Å; P48-Y78 HydrophobicContact CG-CE1 4.03Å; F64-Y78 HydrophobicContact CE2-CD1 4.09Å; F64-Y78 HydrophobicContact CE2-CD2 4.16Å; F64-Y78 AromaticContact CE2-CE1 3.81Å; F64-Y78 HydrophobicContact CE2-CE1 3.81Å; F64-Y78 AromaticContact CE2-CE2 3.89Å; F64-Y78 HydrophobicContact CE2-CE2 3.89Å; F64-Y78 HydrophobicContact CE2-CG 4.25Å; F64-Y78 AromaticContact CE2-CZ 3.7Å; F64-Y78 AromaticContact CZ-CD2 3.95Å; F64-Y78 HydrophobicContact CZ-CD2 3.95Å; F64-Y78 AromaticContact CZ-CE2 3.9Å; F64-Y78 HydrophobicContact CZ-CE2 3.9Å; F64-Y78 HydrophobicContact CZ-CG 4.29Å; E66-Y78 WeakPolarHBondContact CG-OH 3.13Å; E66-Y78 PolarHBondContact OE1-OH 2.86Å; P67-Y78 HydrophobicContact CG-CE1 4.4Å; I75-Y78 HydrophobicContact CG2-CE1 4.17Å; I75-Y78 HydrophobicContact CG2-CE2 4.26Å; Y78-W94 CarbonylContact O-C 3.45Å; Y78-W94 WeakPolarHBondContact O-CA 3.47Å; Y78-Y95 PolarHBondContact N-O 3.43Å; Y78-Y95 PolarHBondContact O-N 3.05Å; Y78-A97 HydrophobicContact CD2-CB 4.3Å; Y78-A97 HydrophobicContact CE2-CB 4.01Å; Y78-A100 HydrophobicContact CD2-CB 3.81Å; Y78-A100 HydrophobicContact CE2-CB 4.29Å; Y78-S101 WeakPolarHBondContact CE2-OG 3.28Å; Y78-A122 CarbonylContact C-O 3.6Å; Y78-A122 WeakPolarHBondContact CA-O 3.31Å; Y78-A123 HydrophobicContact CD1-CB 3.81Å; Y78-A123 HydrophobicContact CE1-CB 3.63Å |
| 79 | K | 98.3 | Very high | 94 | Very high | 38 Ų | 38 | 58.9 Ų | 58.9 | 17% | 0.165 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.5 | 172.4 | -167.4 | -172.4 | -174.1 | -165.5 | 0 | 108.3 | E81 W94 L121 A122 L129 | K79-E81 HydrophobicContact CD-CG 4.15Å; K79-E81 WeakPolarHBondContact CE-OE1 3.46Å; K79-E81 HydrophobicContact CG-CG 4.25Å; K79-E81 IonicContact NZ-OE1 3.91Å; K79-E81 PolarHBondContact NZ-OE1 2.82Å; K79-W94 HydrophobicContact CB-CD2 4.24Å; K79-W94 HydrophobicContact CB-CE3 3.78Å; K79-W94 HydrophobicContact CB-CH2 3.96Å; K79-W94 HydrophobicContact CB-CZ2 4.36Å; K79-W94 HydrophobicContact CB-CZ3 3.63Å; K79-W94 HydrophobicContact CD-CH2 4.07Å; K79-W94 HydrophobicContact CD-CZ2 3.9Å; K79-W94 HydrophobicContact CG-CD2 4.23Å; K79-W94 HydrophobicContact CG-CE3 4.28Å; K79-W94 HydrophobicContact CG-CH2 4.22Å; K79-W94 HydrophobicContact CG-CZ2 4.13Å; K79-W94 HydrophobicContact CG-CZ3 4.28Å; K79-L121 CarbonylContact O-C 3.48Å; K79-L121 WeakPolarHBondContact O-CA 3.15Å; K79-A122 PolarHBondContact N-O 3.25Å; K79-A122 PolarHBondContact O-N 2.85Å; K79-L129 HydrophobicContact CB-CD1 4.45Å |
| 80 | A | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 133.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S92 K93 Y95 V106 L121 | A80-S92 CarbonylContact O-C 3.49Å; A80-S92 WeakPolarHBondContact O-CA 3.48Å; A80-K93 PolarHBondContact N-O 3.33Å; A80-K93 PolarHBondContact O-N 3.12Å; A80-Y95 HydrophobicContact CB-CD2 4.37Å; A80-Y95 HydrophobicContact CB-CE2 3.62Å; A80-V106 HydrophobicContact CB-CG2 4.48Å; A80-L121 HydrophobicContact CB-CD2 3.53Å |
| 81 | E | 98 | Very high | 94.4 | Very high | 19 Ų | 19 | 60.6 Ų | 60.6 | 9% | 0.089 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.2 | 172.4 | -57.5 | -170.7 | 136.1 | 0 | 0 | 109.9 | K79 W90 H91 V119 R120 I132 | K79-E81 HydrophobicContact CD-CG 4.15Å; K79-E81 WeakPolarHBondContact CE-OE1 3.46Å; K79-E81 HydrophobicContact CG-CG 4.25Å; K79-E81 IonicContact NZ-OE1 3.91Å; K79-E81 PolarHBondContact NZ-OE1 2.82Å; E81-W90 HydrophobicContact CB-CB 4.42Å; E81-W90 HydrophobicContact CB-CD2 4.45Å; E81-W90 HydrophobicContact CB-CE3 3.81Å; E81-H91 CarbonylContact C-O 3.55Å; E81-H91 WeakPolarHBondContact CA-O 3.13Å; E81-V119 CarbonylContact O-C 3.57Å; E81-V119 VanDerWaalsContact O-CA 3.29Å; E81-V119 WeakPolarHBondContact O-CA 3.17Å; E81-R120 HydrophobicContact CB-CG 3.95Å; E81-R120 PolarHBondContact N-O 2.81Å; E81-R120 PolarHBondContact O-N 2.93Å; E81-R120 IonicContact OE2-CZ 3.22Å; E81-R120 IonicContact OE2-NE 3.84Å; E81-R120 PolarHBondContact OE2-NE 3.29Å; E81-R120 IonicContact OE2-NH2 2.73Å; E81-R120 PolarHBondContact OE2-NH2 2.86Å; E81-I132 WeakPolarHBondContact OE2-CD1 2.88Å |
| 82 | W | 98.1 | Very high | 94.7 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 11% | 0.11 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 154.4 | 177 | 67.8 | 97.5 | 0 | 0 | 0 | 112.3 | H91 K93 I108 L111 A118 V119 | W82-H91 HydrophobicContact CD2-CB 3.92Å; W82-H91 HydrophobicContact CE3-CB 4.45Å; W82-H91 HydrophobicContact CG-CB 4.37Å; W82-H91 HydrophobicContact CH2-CB 4.24Å; W82-H91 HydrophobicContact CZ2-CB 3.69Å; W82-H91 PolarHBondContact N-O 3.1Å; W82-H91 WeakPolarHBondContact O-CB 3.15Å; W82-H91 PolarHBondContact O-N 3Å; W82-K93 HydrophobicContact CH2-CB 3.88Å; W82-K93 HydrophobicContact CZ3-CB 3.78Å; W82-I108 HydrophobicContact CB-CD1 4.16Å; W82-I108 HydrophobicContact CD2-CD1 4.29Å; W82-I108 HydrophobicContact CD2-CG2 3.53Å; W82-I108 HydrophobicContact CE3-CD1 4.07Å; W82-I108 HydrophobicContact CE3-CG1 4.21Å; W82-I108 HydrophobicContact CE3-CG2 3.88Å; W82-I108 HydrophobicContact CG-CD1 4.34Å; W82-I108 HydrophobicContact CG-CG2 3.9Å; W82-I108 HydrophobicContact CH2-CG2 4.33Å; W82-I108 HydrophobicContact CZ2-CG2 3.99Å; W82-I108 HydrophobicContact CZ3-CG2 4.27Å; W82-L111 HydrophobicContact CG-CD2 4.48Å; W82-A118 CarbonylContact C-O 3.59Å; W82-A118 WeakPolarHBondContact CA-O 3.26Å; W82-V119 HydrophobicContact CB-CB 4.39Å |
| 83 | R | 97.4 | Very high | 95 | Very high | 84 Ų | 84 | 63.1 Ų | 63.1 | 32% | 0.317 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 151.2 | 174.1 | 65.3 | 177.9 | -176.6 | 172.1 | 1.5 | 111.1 | E87 V89 W90 Y117 A118 | R83-E87 WeakPolarHBondContact CD-O 2.97Å; R83-E87 PolarHBondContact NH1-O 2.69Å; R83-V89 WeakPolarHBondContact CB-O 3.42Å; R83-W90 HydrophobicContact CB-CD2 4.27Å; R83-W90 HydrophobicContact CB-CE3 4.2Å; R83-W90 VanDerWaalsContact CD-CE2 3.46Å; R83-W90 HydrophobicContact CG-CD2 3.99Å; R83-W90 HydrophobicContact CG-CE3 3.94Å; R83-W90 HydrophobicContact CG-CH2 4.04Å; R83-W90 HydrophobicContact CG-CZ2 4.08Å; R83-W90 HydrophobicContact CG-CZ3 3.97Å; R83-W90 VanDerWaalsContact NE-CZ2 3.28Å; R83-Y117 VanDerWaalsContact C-CD1 3.41Å; R83-Y117 CarbonylContact O-C 3.55Å; R83-Y117 VanDerWaalsContact O-CA 3.24Å; R83-Y117 WeakPolarHBondContact O-CA 3.33Å; R83-Y117 WeakPolarHBondContact O-CD1 3.29Å; R83-A118 HydrophobicContact CG-CB 4.48Å; R83-A118 PolarHBondContact N-O 2.95Å; R83-A118 PolarHBondContact O-N 2.79Å |
| 84 | A | 96.6 | Very high | 95.3 | Very high | 8 Ų | 8 | 66.6 Ų | 66.6 | 7% | 0.066 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 143.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | G86 E87 T115 T116 Y117 | A84-G86 PolarHBondContact O-N 3.11Å; A84-G86 VanDerWaalsContact O-N 3.15Å; A84-E87 HydrophobicContact CB-CB 4.46Å; A84-E87 HydrophobicContact CB-CG 4.03Å; A84-E87 PolarHBondContact O-N 2.95Å; A84-T115 HydrophobicContact CB-CG2 4.04Å; A84-T116 WeakPolarHBondContact CA-O 3.45Å; A84-Y117 HydrophobicContact CB-CD1 4.13Å; A84-Y117 HydrophobicContact CB-CE1 3.8Å |
| 85 | V | 93.1 | Very high | 95.4 | Very high | 80 Ų | 80 | 63.4 Ų | 63.4 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 119.1 | 174.9 | 176.7 | 0 | 0 | 0 | 0 | 108.4 | T116 | V85-T116 HydrophobicContact CB-CG2 4.35Å; V85-T116 HydrophobicContact CG2-CG2 3.6Å; V85-T116 PolarHBondContact N-O 2.84Å |
| 86 | G | 88.6 | Confident | 95.5 | Very high | 79 Ų | 79 | 66 Ų | 66 | 81% | 0.814 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.8 | -11.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A84 | A84-G86 PolarHBondContact O-N 3.11Å; A84-G86 VanDerWaalsContact O-N 3.15Å |
| 87 | E | 93.6 | Very high | 95.5 | Very high | 76 Ų | 76 | 62.1 Ų | 62.1 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | trans | -90.8 | 145.8 | 168.2 | -68.2 | -179.5 | 173.5 | 0 | 0 | 110.8 | R83 A84 | R83-E87 WeakPolarHBondContact CD-O 2.97Å; R83-E87 PolarHBondContact NH1-O 2.69Å; A84-E87 HydrophobicContact CB-CB 4.46Å; A84-E87 HydrophobicContact CB-CG 4.03Å; A84-E87 PolarHBondContact O-N 2.95Å | ||
| 88 | E | 89.6 | Confident | 94.8 | Very high | 177 Ų | 177 | 64 Ų | 64 | 83% | 0.827 | 33% | 0.327 | S | S | * | . | trans | -89.5 | -28 | 179.4 | -64.6 | -171.4 | 165.8 | 0 | 0 | 112.7 | ||||
| 89 | V | 94.8 | Very high | 94.2 | Very high | 104 Ų | 104 | 67.9 Ų | 67.9 | 63% | 0.63 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -88.9 | 129.5 | -172.3 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | R83 | R83-V89 WeakPolarHBondContact CB-O 3.42Š|
| 90 | W | 96.3 | Very high | 93.6 | Very high | 55 Ų | 55 | 66.3 Ų | 66.3 | 21% | 0.208 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 127.3 | 171.6 | -68.4 | 86.4 | 0 | 0 | 0 | 110.7 | E81 R83 A118 R120 A135 | E81-W90 HydrophobicContact CB-CB 4.42Å; E81-W90 HydrophobicContact CB-CD2 4.45Å; E81-W90 HydrophobicContact CB-CE3 3.81Å; R83-W90 HydrophobicContact CB-CD2 4.27Å; R83-W90 HydrophobicContact CB-CE3 4.2Å; R83-W90 VanDerWaalsContact CD-CE2 3.46Å; R83-W90 HydrophobicContact CG-CD2 3.99Å; R83-W90 HydrophobicContact CG-CE3 3.94Å; R83-W90 HydrophobicContact CG-CH2 4.04Å; R83-W90 HydrophobicContact CG-CZ2 4.08Å; R83-W90 HydrophobicContact CG-CZ3 3.97Å; R83-W90 VanDerWaalsContact NE-CZ2 3.28Å; W90-A118 HydrophobicContact CH2-CB 4.08Å; W90-A118 WeakPolarHBondContact CZ3-O 3.22Å; W90-R120 HydrophobicContact CE3-CG 4.27Å; W90-R120 HydrophobicContact CH2-CG 4.05Å; W90-R120 HydrophobicContact CZ3-CG 3.77Å; W90-A135 HydrophobicContact CH2-CB 4.3Å |
| 91 | H | 96.2 | Very high | 93 | Very high | 94 Ų | 94 | 68.1 Ų | 68.1 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 156 | 162.7 | -65.9 | -81.8 | 0 | 0 | 0 | 109.7 | E81 W82 | E81-H91 CarbonylContact C-O 3.55Å; E81-H91 WeakPolarHBondContact CA-O 3.13Å; W82-H91 HydrophobicContact CD2-CB 3.92Å; W82-H91 HydrophobicContact CE3-CB 4.45Å; W82-H91 HydrophobicContact CG-CB 4.37Å; W82-H91 HydrophobicContact CH2-CB 4.24Å; W82-H91 HydrophobicContact CZ2-CB 3.69Å; W82-H91 PolarHBondContact N-O 3.1Å; W82-H91 WeakPolarHBondContact O-CB 3.15Å; W82-H91 PolarHBondContact O-N 3Å |
| 92 | S | 96.4 | Very high | 92.2 | Very high | 61 Ų | 61 | 73.1 Ų | 73.1 | 43% | 0.427 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 153.8 | 177.8 | 67.8 | 0 | 0 | 0 | 0 | 113.9 | A80 | A80-S92 CarbonylContact O-C 3.49Å; A80-S92 WeakPolarHBondContact O-CA 3.48Å |
| 93 | K | 96.1 | Very high | 91.4 | Very high | 74 Ų | 74 | 75.4 Ų | 75.4 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 144.1 | 173.4 | -178.7 | 173.4 | 167.1 | -162.6 | 0 | 109.9 | A80 W82 Y95 | A80-K93 PolarHBondContact N-O 3.33Å; A80-K93 PolarHBondContact O-N 3.12Å; W82-K93 HydrophobicContact CH2-CB 3.88Å; W82-K93 HydrophobicContact CZ3-CB 3.78Å; K93-Y95 HydrophobicContact CB-CE2 4.13Å; K93-Y95 HydrophobicContact CD-CE1 4.16Å; K93-Y95 HydrophobicContact CD-CE2 4.44Å; K93-Y95 WeakPolarHBondContact CD-OH 3.06Å; K93-Y95 HydrophobicContact CG-CE1 4.49Å; K93-Y95 HydrophobicContact CG-CE2 4.08Å |
| 94 | W | 96.8 | Very high | 90.9 | Very high | 117 Ų | 117 | 72.5 Ų | 72.5 | 44% | 0.443 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 142.6 | 175.9 | -67.4 | 98.1 | 0 | 0 | 0 | 111.2 | K77 Y78 K79 L124 L129 | K77-W94 HydrophobicContact CB-CE3 3.88Å; K77-W94 HydrophobicContact CB-CZ3 4.26Å; K77-W94 HydrophobicContact CD-CE3 4.37Å; Y78-W94 CarbonylContact O-C 3.45Å; Y78-W94 WeakPolarHBondContact O-CA 3.47Å; K79-W94 HydrophobicContact CB-CD2 4.24Å; K79-W94 HydrophobicContact CB-CE3 3.78Å; K79-W94 HydrophobicContact CB-CH2 3.96Å; K79-W94 HydrophobicContact CB-CZ2 4.36Å; K79-W94 HydrophobicContact CB-CZ3 3.63Å; K79-W94 HydrophobicContact CD-CH2 4.07Å; K79-W94 HydrophobicContact CD-CZ2 3.9Å; K79-W94 HydrophobicContact CG-CD2 4.23Å; K79-W94 HydrophobicContact CG-CE3 4.28Å; K79-W94 HydrophobicContact CG-CH2 4.22Å; K79-W94 HydrophobicContact CG-CZ2 4.13Å; K79-W94 HydrophobicContact CG-CZ3 4.28Å; W94-L124 HydrophobicContact CE3-CD2 4.46Å; W94-L124 HydrophobicContact CH2-CB 4.32Å; W94-L124 HydrophobicContact CH2-CD2 3.93Å; W94-L124 HydrophobicContact CZ3-CB 3.79Å; W94-L124 HydrophobicContact CZ3-CD2 3.7Å; W94-L124 HydrophobicContact CZ3-CG 4.33Å; W94-L129 HydrophobicContact CH2-CD1 3.93Å; W94-L129 HydrophobicContact CZ3-CD1 4.26Å |
| 95 | Y | 94.7 | Very high | 90.5 | Very high | 30 Ų | 30 | 74.3 Ų | 74.3 | 12% | 0.118 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.8 | 176.2 | -58.3 | -91.5 | 0 | 0 | 0 | 109.4 | K77 Y78 A80 K93 V106 T107 | K77-Y95 CarbonylContact C-O 3.5Å; K77-Y95 WeakPolarHBondContact CA-O 3.5Å; K77-Y95 VanDerWaalsContact CB-O 3.27Å; K77-Y95 WeakPolarHBondContact CB-O 3.19Å; Y78-Y95 PolarHBondContact N-O 3.43Å; Y78-Y95 PolarHBondContact O-N 3.05Å; A80-Y95 HydrophobicContact CB-CD2 4.37Å; A80-Y95 HydrophobicContact CB-CE2 3.62Å; K93-Y95 HydrophobicContact CB-CE2 4.13Å; K93-Y95 HydrophobicContact CD-CE1 4.16Å; K93-Y95 HydrophobicContact CD-CE2 4.44Å; K93-Y95 WeakPolarHBondContact CD-OH 3.06Å; K93-Y95 HydrophobicContact CG-CE1 4.49Å; K93-Y95 HydrophobicContact CG-CE2 4.08Å; Y95-V106 HydrophobicContact CD1-CB 4.02Å; Y95-V106 HydrophobicContact CD1-CG1 3.91Å; Y95-V106 HydrophobicContact CD2-CB 4.03Å; Y95-V106 HydrophobicContact CD2-CG1 3.8Å; Y95-V106 HydrophobicContact CE1-CB 3.92Å; Y95-V106 HydrophobicContact CE1-CG1 4.33Å; Y95-V106 HydrophobicContact CE2-CB 3.95Å; Y95-V106 HydrophobicContact CE2-CG1 4.24Å; Y95-V106 HydrophobicContact CE2-CG2 4.39Å; Y95-V106 HydrophobicContact CG-CB 4.07Å; Y95-V106 HydrophobicContact CG-CG1 3.62Å; Y95-T107 PolarHBondContact OH-O 2.91Å |
| 96 | D | 95.4 | Very high | 90.4 | Very high | 77 Ų | 77 | 70.6 Ų | 70.6 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 132.7 | 173.7 | -171.2 | -90 | 0 | 0 | 0 | 109.8 | K98 E99 A100 | D96-K98 VanDerWaalsContact C-N 3.33Å; D96-K98 PolarHBondContact O-N 3.15Å; D96-K98 VanDerWaalsContact OD1-CB 3.22Å; D96-K98 WeakPolarHBondContact OD1-CB 3.33Å; D96-K98 PolarHBondContact OD1-N 2.88Å; D96-E99 HydrophobicContact CB-CG 4.43Å; D96-E99 PolarHBondContact O-N 3.33Å; D96-A100 VanDerWaalsContact O-CB 3.28Å; D96-A100 WeakPolarHBondContact O-CB 3.5Å; D96-A100 PolarHBondContact O-N 3.3Å |
| 97 | A | 91.9 | Very high | 90.5 | Very high | 8 Ų | 8 | 69.2 Ų | 69.2 | 7% | 0.066 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.7 | -35.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I75 L76 Y78 E99 S101 | I75-A97 HydrophobicContact CB-CB 4.32Å; I75-A97 HydrophobicContact CG2-CB 3.94Å; L76-A97 VanDerWaalsContact O-CB 3.28Å; L76-A97 WeakPolarHBondContact O-CB 3.35Å; L76-A97 PolarHBondContact O-N 3.01Å; L76-A97 VanDerWaalsContact O-N 3.11Å; Y78-A97 HydrophobicContact CD2-CB 4.3Å; Y78-A97 HydrophobicContact CE2-CB 4.01Å; A97-E99 VanDerWaalsContact C-N 3.33Å; A97-E99 PolarHBondContact O-N 3.03Å; A97-S101 WeakPolarHBondContact O-CB 3.47Å; A97-S101 PolarHBondContact O-N 2.8Å; A97-S101 PolarHBondContact O-OG 2.83Å |
| 98 | K | 83.9 | Confident | 90.4 | Very high | 133 Ų | 133 | 65.6 Ų | 65.6 | 58% | 0.578 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.7 | -45.2 | -179.4 | -167.4 | -165.9 | 177.9 | -159.9 | 0 | 110.6 | D96 M102 E192 | D96-K98 VanDerWaalsContact C-N 3.33Å; D96-K98 PolarHBondContact O-N 3.15Å; D96-K98 VanDerWaalsContact OD1-CB 3.22Å; D96-K98 WeakPolarHBondContact OD1-CB 3.33Å; D96-K98 PolarHBondContact OD1-N 2.88Å; K98-M102 VanDerWaalsContact O-CB 3.28Å; K98-M102 WeakPolarHBondContact O-CB 3.46Å; K98-M102 PolarHBondContact O-N 3.02Å; K98-E192 IonicContact NZ-OE1 2.86Å; K98-E192 PolarHBondContact NZ-OE1 3.26Å |
| 99 | E | 83.8 | Confident | 90.4 | Very high | 82 Ų | 82 | 60.7 Ų | 60.7 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.6 | -48.1 | -179.5 | -60.8 | -165.3 | 136.6 | 0 | 0 | 111.8 | D96 A97 S101 M102 E103 K198 | D96-E99 HydrophobicContact CB-CG 4.43Å; D96-E99 PolarHBondContact O-N 3.33Å; A97-E99 VanDerWaalsContact C-N 3.33Å; A97-E99 PolarHBondContact O-N 3.03Å; E99-S101 PolarHBondContact O-N 3.22Å; E99-M102 PolarHBondContact O-N 3.07Å; E99-E103 PolarHBondContact O-N 2.78Å; E99-E103 VanDerWaalsContact O-N 3.15Å; E99-K198 IonicContact OE1-NZ 2.69Å; E99-K198 PolarHBondContact OE1-NZ 3.44Å; E99-K198 IonicContact OE2-NZ 3.62Å |
| 100 | A | 86.8 | Confident | 90 | Very high | 5 Ų | 5 | 59.1 Ų | 59.1 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F64 Y78 D96 G104 I105 V106 | F64-A100 HydrophobicContact CE1-CB 4.22Å; F64-A100 HydrophobicContact CZ-CB 3.91Å; Y78-A100 HydrophobicContact CD2-CB 3.81Å; Y78-A100 HydrophobicContact CE2-CB 4.29Å; D96-A100 VanDerWaalsContact O-CB 3.28Å; D96-A100 WeakPolarHBondContact O-CB 3.5Å; D96-A100 PolarHBondContact O-N 3.3Å; A100-G104 VanDerWaalsContact O-CA 3.3Å; A100-G104 WeakPolarHBondContact O-CA 3.13Å; A100-G104 PolarHBondContact O-N 3.48Å; A100-I105 PolarHBondContact O-N 2.78Å; A100-V106 HydrophobicContact CB-CG1 3.96Å |
| 101 | S | 84.6 | Confident | 89.7 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.3 | -32.3 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | E66 Y78 A97 E99 | E66-S101 WeakPolarHBondContact OE1-CB 3.14Å; E66-S101 PolarHBondContact OE1-OG 2.85Å; Y78-S101 WeakPolarHBondContact CE2-OG 3.28Å; A97-S101 WeakPolarHBondContact O-CB 3.47Å; A97-S101 PolarHBondContact O-N 2.8Å; A97-S101 PolarHBondContact O-OG 2.83Å; E99-S101 PolarHBondContact O-N 3.22Å |
| 102 | M | 81.1 | Confident | 89.4 | Confident | 125 Ų | 125 | 58.2 Ų | 58.2 | 62% | 0.616 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68.9 | -36.9 | 177 | -178 | 173.4 | 64.6 | 0 | 0 | 111.8 | K98 E99 | K98-M102 VanDerWaalsContact O-CB 3.28Å; K98-M102 WeakPolarHBondContact O-CB 3.46Å; K98-M102 PolarHBondContact O-N 3.02Å; E99-M102 PolarHBondContact O-N 3.07Å |
| 103 | E | 82.9 | Confident | 89.1 | Confident | 77 Ų | 77 | 58 Ų | 58 | 36% | 0.36 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -89.7 | -21.3 | 178.5 | -63.9 | -173.1 | 170.7 | 0 | 0 | 112.9 | E99 I105 Q189 | E99-E103 PolarHBondContact O-N 2.78Å; E99-E103 VanDerWaalsContact O-N 3.15Å; E103-I105 HydrophobicContact CB-CB 4.39Å; E103-I105 WeakPolarHBondContact O-CG1 3.36Å; E103-I105 PolarHBondContact O-N 2.95Å; E103-Q189 PolarHBondContact OE1-NE2 3.47Å; E103-Q189 VanDerWaalsContact OE1-NE2 3.1Å |
| 104 | G | 85.4 | Confident | 88.9 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 24% | 0.237 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 18.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q63 F64 A100 | Q63-G104 WeakPolarHBondContact CA-O 3.41Å; F64-G104 PolarHBondContact N-O 2.79Å; A100-G104 VanDerWaalsContact O-CA 3.3Å; A100-G104 WeakPolarHBondContact O-CA 3.13Å; A100-G104 PolarHBondContact O-N 3.48Å |
| 105 | I | 88.1 | Confident | 88.7 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 139.6 | -168.3 | -63.9 | 168.1 | 0 | 0 | 0 | 110.7 | Q61 V62 Q63 A100 E103 | Q61-I105 HydrophobicContact CB-CG2 4.16Å; Q61-I105 HydrophobicContact CG-CG2 4.35Å; V62-I105 CarbonylContact O-C 3.59Å; V62-I105 VanDerWaalsContact O-CA 3.32Å; V62-I105 WeakPolarHBondContact O-CA 3.18Å; Q63-I105 HydrophobicContact CG-CD1 4.27Å; Q63-I105 HydrophobicContact CG-CG1 3.78Å; A100-I105 PolarHBondContact O-N 2.78Å; E103-I105 HydrophobicContact CB-CB 4.39Å; E103-I105 WeakPolarHBondContact O-CG1 3.36Å; E103-I105 PolarHBondContact O-N 2.95Å |
| 106 | V | 91.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.9 | 162.5 | -62.5 | 0 | 0 | 0 | 0 | 111.3 | V62 F64 A80 Y95 A100 L121 | V62-V106 HydrophobicContact CB-CG2 3.8Å; V62-V106 HydrophobicContact CG1-CG2 4.39Å; V62-V106 HydrophobicContact CG2-CG2 4.42Å; V62-V106 PolarHBondContact N-O 2.99Å; V62-V106 PolarHBondContact O-N 2.99Å; F64-V106 HydrophobicContact CD1-CG1 4.4Å; F64-V106 HydrophobicContact CE1-CG1 3.77Å; F64-V106 HydrophobicContact CZ-CG1 4.45Å; A80-V106 HydrophobicContact CB-CG2 4.48Å; Y95-V106 HydrophobicContact CD1-CB 4.02Å; Y95-V106 HydrophobicContact CD1-CG1 3.91Å; Y95-V106 HydrophobicContact CD2-CB 4.03Å; Y95-V106 HydrophobicContact CD2-CG1 3.8Å; Y95-V106 HydrophobicContact CE1-CB 3.92Å; Y95-V106 HydrophobicContact CE1-CG1 4.33Å; Y95-V106 HydrophobicContact CE2-CB 3.95Å; Y95-V106 HydrophobicContact CE2-CG1 4.24Å; Y95-V106 HydrophobicContact CE2-CG2 4.39Å; Y95-V106 HydrophobicContact CG-CB 4.07Å; Y95-V106 HydrophobicContact CG-CG1 3.62Å; A100-V106 HydrophobicContact CB-CG1 3.96Å; V106-L121 HydrophobicContact CG2-CD2 3.87Å |
| 107 | T | 90.9 | Very high | 89 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 30% | 0.301 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 114.7 | -177 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | Q61 Y95 V109 | Q61-T107 HydrophobicContact CG-CG2 4.41Å; Y95-T107 PolarHBondContact OH-O 2.91Å; T107-V109 HydrophobicContact CG2-CG1 4.02Å |
| 108 | I | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 135.8 | 172.2 | -57.8 | 174.7 | 0 | 0 | 0 | 108.9 | T59 A60 V62 W82 L111 V119 | T59-I108 CarbonylContact C-O 3.57Å; T59-I108 WeakPolarHBondContact CA-O 3.31Å; T59-I108 VanDerWaalsContact CB-O 3.28Å; T59-I108 WeakPolarHBondContact CB-O 3.43Å; A60-I108 PolarHBondContact N-O 3.23Å; A60-I108 PolarHBondContact O-N 3.3Å; V62-I108 HydrophobicContact CG2-CD1 3.95Å; V62-I108 HydrophobicContact CG2-CG1 4.41Å; W82-I108 HydrophobicContact CB-CD1 4.16Å; W82-I108 HydrophobicContact CD2-CD1 4.29Å; W82-I108 HydrophobicContact CD2-CG2 3.53Å; W82-I108 HydrophobicContact CE3-CD1 4.07Å; W82-I108 HydrophobicContact CE3-CG1 4.21Å; W82-I108 HydrophobicContact CE3-CG2 3.88Å; W82-I108 HydrophobicContact CG-CD1 4.34Å; W82-I108 HydrophobicContact CG-CG2 3.9Å; W82-I108 HydrophobicContact CH2-CG2 4.33Å; W82-I108 HydrophobicContact CZ2-CG2 3.99Å; W82-I108 HydrophobicContact CZ3-CG2 4.27Å; I108-L111 HydrophobicContact CG2-CD1 4.31Å; I108-L111 HydrophobicContact CG2-CD2 3.8Å; I108-L111 HydrophobicContact CG2-CG 4.16Å; I108-V119 HydrophobicContact CD1-CB 4.15Å; I108-V119 HydrophobicContact CD1-CG2 3.45Å; I108-V119 VanDerWaalsContact CD1-CG2 3.45Å |
| 109 | V | 89.4 | Confident | 89.9 | Confident | 75 Ų | 75 | 48 Ų | 48 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 158.7 | -176.2 | -59 | 0 | 0 | 0 | 0 | 111.1 | T59 T107 | T59-V109 HydrophobicContact CG2-CB 4.25Å; T59-V109 HydrophobicContact CG2-CG1 3.91Å; T107-V109 HydrophobicContact CG2-CG1 4.02Å |
| 110 | G | 85.6 | Confident | 90.6 | Very high | 70 Ų | 70 | 47 Ų | 47 | 72% | 0.722 | 27% | 0.268 | S | S | * | . | trans | 80.9 | 26.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | S58 | S58-G110 PolarHBondContact O-N 2.81Š| ||
| 111 | L | 89.9 | Confident | 91.2 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 151.3 | 173.8 | -54.3 | -179.6 | 0 | 0 | 0 | 110.4 | S58 A60 W82 I108 Y117 F138 T140 | S58-L111 VanDerWaalsContact CA-O 3.27Å; S58-L111 WeakPolarHBondContact CA-O 3.47Å; S58-L111 WeakPolarHBondContact CB-O 3.29Å; S58-L111 PolarHBondContact O-N 3.13Å; A60-L111 HydrophobicContact CB-CD1 3.8Å; W82-L111 HydrophobicContact CG-CD2 4.48Å; I108-L111 HydrophobicContact CG2-CD1 4.31Å; I108-L111 HydrophobicContact CG2-CD2 3.8Å; I108-L111 HydrophobicContact CG2-CG 4.16Å; L111-Y117 HydrophobicContact CB-CE2 3.91Å; L111-Y117 HydrophobicContact CD1-CD2 4.46Å; L111-Y117 HydrophobicContact CD2-CD1 3.99Å; L111-Y117 HydrophobicContact CD2-CD2 4.3Å; L111-Y117 HydrophobicContact CD2-CE1 3.84Å; L111-Y117 HydrophobicContact CD2-CE2 4.12Å; L111-Y117 HydrophobicContact CD2-CG 4.26Å; L111-Y117 HydrophobicContact CG-CE2 4.45Å; L111-F138 HydrophobicContact CD1-CE2 3.66Å; L111-F138 HydrophobicContact CD1-CZ 3.72Å; L111-T140 HydrophobicContact CB-CG2 3.84Å; L111-T140 HydrophobicContact CD1-CG2 3.83Å |
| 112 | K | 90.2 | Very high | 91.8 | Very high | 122 Ų | 122 | 45 Ų | 45 | 53% | 0.53 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -81 | 139.2 | 171.5 | -63.2 | 172.7 | -174.8 | 163.1 | 0 | 110 | S57 T115 Y117 T140 | S57-K112 CarbonylContact O-C 3.55Å; K112-T115 WeakPolarHBondContact CB-OG1 3.2Å; K112-T115 WeakPolarHBondContact O-CB 3.27Å; K112-T115 PolarHBondContact O-OG1 2.79Å; K112-Y117 WeakPolarHBondContact CB-OH 3.39Å; K112-Y117 PolarHBondContact N-OH 2.9Å; K112-T140 WeakPolarHBondContact O-CB 3.38Å; K112-T140 PolarHBondContact O-OG1 3.31Å |
| 113 | P | 90.9 | Very high | 92.6 | Very high | 56 Ų | 56 | 39 Ų | 39 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 155.4 | 172.4 | -23.8 | 33.3 | 0 | 0 | 0 | 112.9 | S57 T115 T140 V143 | S57-P113 WeakPolarHBondContact O-CA 3.41Å; S57-P113 WeakPolarHBondContact O-CG 3.3Å; P113-T115 PolarHBondContact O-N 3.27Å; P113-T115 PolarHBondContact O-OG1 2.78Å; P113-T140 VanDerWaalsContact C-OG1 3.29Å; P113-V143 HydrophobicContact CB-CG2 4.1Å; P113-V143 HydrophobicContact CG-CG2 3.79Å |
| 114 | E | 91.6 | Very high | 93.3 | Very high | 120 Ų | 120 | 37.3 Ų | 37.3 | 56% | 0.561 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 26.7 | 178.6 | -58.8 | -164.7 | 80.4 | 0 | 0 | 115.8 | K139 T140 Q141 P142 | E114-K139 VanDerWaalsContact O-CE 3.28Å; E114-K139 WeakPolarHBondContact O-CE 3.47Å; E114-T140 WeakPolarHBondContact CA-O 3.39Å; E114-T140 PolarHBondContact N-O 3.39Å; E114-T140 PolarHBondContact N-OG1 3.37Å; E114-T140 VanDerWaalsContact N-OG1 3.08Å; E114-Q141 PolarHBondContact N-O 3.01Å; E114-P142 HydrophobicContact CG-CB 3.76Å |
| 115 | T | 93 | Very high | 93.7 | Very high | 37 Ų | 37 | 36.4 Ų | 36.4 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | trans | -113.3 | 133.7 | -174.7 | -56.7 | 0 | 0 | 0 | 0 | 109.5 | A84 K112 P113 Y117 T140 | A84-T115 HydrophobicContact CB-CG2 4.04Å; K112-T115 WeakPolarHBondContact CB-OG1 3.2Å; K112-T115 WeakPolarHBondContact O-CB 3.27Å; K112-T115 PolarHBondContact O-OG1 2.79Å; P113-T115 PolarHBondContact O-N 3.27Å; P113-T115 PolarHBondContact O-OG1 2.78Å; T115-Y117 HydrophobicContact CG2-CD2 4.16Å; T115-Y117 HydrophobicContact CG2-CE2 3.52Å; T115-Y117 WeakPolarHBondContact O-CD2 3.36Å; T115-T140 PolarHBondContact N-OG1 2.81Å; T115-T140 PolarHBondContact O-N 2.84Å; T115-T140 PolarHBondContact O-OG1 3.13Å; T115-T140 VanDerWaalsContact O-OG1 3.11Å | ||
| 116 | T | 97.5 | Very high | 93.8 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 34% | 0.337 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.6 | 175.1 | -49.8 | 0 | 0 | 0 | 0 | 109.6 | A84 V85 F138 | A84-T116 WeakPolarHBondContact CA-O 3.45Å; V85-T116 HydrophobicContact CB-CG2 4.35Å; V85-T116 HydrophobicContact CG2-CG2 3.6Å; V85-T116 PolarHBondContact N-O 2.84Å; T116-F138 CarbonylContact C-O 3.54Å; T116-F138 WeakPolarHBondContact CA-O 3.5Å |
| 117 | Y | 97.6 | Very high | 93.7 | Very high | 12 Ų | 12 | 43 Ų | 43 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 154.8 | 177 | -71.5 | -91.6 | 0 | 0 | 0 | 110.6 | R83 A84 L111 K112 T115 E137 F138 T140 | R83-Y117 VanDerWaalsContact C-CD1 3.41Å; R83-Y117 CarbonylContact O-C 3.55Å; R83-Y117 VanDerWaalsContact O-CA 3.24Å; R83-Y117 WeakPolarHBondContact O-CA 3.33Å; R83-Y117 WeakPolarHBondContact O-CD1 3.29Å; A84-Y117 HydrophobicContact CB-CD1 4.13Å; A84-Y117 HydrophobicContact CB-CE1 3.8Å; L111-Y117 HydrophobicContact CB-CE2 3.91Å; L111-Y117 HydrophobicContact CD1-CD2 4.46Å; L111-Y117 HydrophobicContact CD2-CD1 3.99Å; L111-Y117 HydrophobicContact CD2-CD2 4.3Å; L111-Y117 HydrophobicContact CD2-CE1 3.84Å; L111-Y117 HydrophobicContact CD2-CE2 4.12Å; L111-Y117 HydrophobicContact CD2-CG 4.26Å; L111-Y117 HydrophobicContact CG-CE2 4.45Å; K112-Y117 WeakPolarHBondContact CB-OH 3.39Å; K112-Y117 PolarHBondContact N-OH 2.9Å; T115-Y117 HydrophobicContact CG2-CD2 4.16Å; T115-Y117 HydrophobicContact CG2-CE2 3.52Å; T115-Y117 WeakPolarHBondContact O-CD2 3.36Å; Y117-E137 CarbonylContact O-C 3.46Å; Y117-E137 VanDerWaalsContact O-CA 3.3Å; Y117-E137 WeakPolarHBondContact O-CA 3.24Å; Y117-F138 HydrophobicContact CD2-CE2 4.3Å; Y117-F138 HydrophobicContact CD2-CZ 4.46Å; Y117-F138 HydrophobicContact CG-CZ 4.24Å; Y117-F138 PolarHBondContact N-O 2.81Å; Y117-F138 PolarHBondContact O-N 3.36Å; Y117-T140 HydrophobicContact CD2-CG2 4.11Å; Y117-T140 HydrophobicContact CE2-CG2 4.1Å |
| 118 | A | 97.9 | Very high | 93.8 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | W82 R83 W90 A135 S136 E137 | W82-A118 CarbonylContact C-O 3.59Å; W82-A118 WeakPolarHBondContact CA-O 3.26Å; R83-A118 HydrophobicContact CG-CB 4.48Å; R83-A118 PolarHBondContact N-O 2.95Å; R83-A118 PolarHBondContact O-N 2.79Å; W90-A118 HydrophobicContact CH2-CB 4.08Å; W90-A118 WeakPolarHBondContact CZ3-O 3.22Å; A118-A135 HydrophobicContact CB-CB 4.44Å; A118-S136 CarbonylContact C-O 3.52Å; A118-S136 WeakPolarHBondContact CA-O 3.08Å; A118-E137 HydrophobicContact CB-CG 4.18Å |
| 119 | V | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 144.5 | 176.3 | 58.2 | 0 | 0 | 0 | 0 | 111.2 | I50 V53 V62 E81 W82 I108 A135 S136 F138 | I50-V119 HydrophobicContact CD1-CG1 4.46Å; V53-V119 HydrophobicContact CG2-CG1 3.88Å; V62-V119 HydrophobicContact CG2-CG1 4.39Å; V62-V119 HydrophobicContact CG2-CG2 4.17Å; E81-V119 CarbonylContact O-C 3.57Å; E81-V119 VanDerWaalsContact O-CA 3.29Å; E81-V119 WeakPolarHBondContact O-CA 3.17Å; W82-V119 HydrophobicContact CB-CB 4.39Å; I108-V119 HydrophobicContact CD1-CB 4.15Å; I108-V119 HydrophobicContact CD1-CG2 3.45Å; I108-V119 VanDerWaalsContact CD1-CG2 3.45Å; V119-A135 CarbonylContact O-C 3.6Å; V119-A135 VanDerWaalsContact O-CA 3.25Å; V119-A135 WeakPolarHBondContact O-CA 3.17Å; V119-S136 WeakPolarHBondContact CG1-O 3.45Å; V119-S136 PolarHBondContact N-O 3.06Å; V119-S136 PolarHBondContact O-N 3.34Å; V119-F138 HydrophobicContact CB-CE1 4.01Å; V119-F138 HydrophobicContact CG1-CD1 3.98Å; V119-F138 HydrophobicContact CG1-CE1 3.76Å |
| 120 | R | 98.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 42.2 Ų | 42.2 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 153.6 | 172.7 | 60.7 | -173.6 | -170.1 | 176.8 | 5.2 | 110.9 | E81 W90 I132 | E81-R120 HydrophobicContact CB-CG 3.95Å; E81-R120 PolarHBondContact N-O 2.81Å; E81-R120 PolarHBondContact O-N 2.93Å; E81-R120 IonicContact OE2-CZ 3.22Å; E81-R120 IonicContact OE2-NE 3.84Å; E81-R120 PolarHBondContact OE2-NE 3.29Å; E81-R120 IonicContact OE2-NH2 2.73Å; E81-R120 PolarHBondContact OE2-NH2 2.86Å; W90-R120 HydrophobicContact CE3-CG 4.27Å; W90-R120 HydrophobicContact CH2-CG 4.05Å; W90-R120 HydrophobicContact CZ3-CG 3.77Å; R120-I132 HydrophobicContact CB-CD1 4.46Å; R120-I132 HydrophobicContact CB-CG1 4.09Å; R120-I132 VanDerWaalsContact CD-CD1 3.41Å; R120-I132 HydrophobicContact CG-CD1 3.69Å; R120-I132 HydrophobicContact CG-CG1 3.87Å |
| 121 | L | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 148 | -177.3 | -67.3 | 175.9 | 0 | 0 | 0 | 111.5 | P48 I50 V62 F64 K79 A80 V106 I132 S133 | P48-L121 HydrophobicContact CB-CB 4.23Å; P48-L121 HydrophobicContact CG-CB 4.17Å; I50-L121 HydrophobicContact CD1-CD1 4.31Å; I50-L121 HydrophobicContact CD1-CG 4.07Å; I50-L121 HydrophobicContact CG1-CD1 3.76Å; I50-L121 HydrophobicContact CG1-CG 4.06Å; V62-L121 HydrophobicContact CG1-CD1 4.03Å; F64-L121 HydrophobicContact CB-CD1 3.48Å; F64-L121 VanDerWaalsContact CB-CD1 3.48Å; F64-L121 HydrophobicContact CD1-CD1 4.1Å; F64-L121 HydrophobicContact CD2-CD1 4.11Å; F64-L121 HydrophobicContact CG-CD1 3.61Å; K79-L121 CarbonylContact O-C 3.48Å; K79-L121 WeakPolarHBondContact O-CA 3.15Å; A80-L121 HydrophobicContact CB-CD2 3.53Å; V106-L121 HydrophobicContact CG2-CD2 3.87Å; L121-I132 WeakPolarHBondContact O-CA 3.45Å; L121-S133 PolarHBondContact N-OG 3.26Å; L121-S133 WeakPolarHBondContact O-CB 3.43Å; L121-S133 PolarHBondContact O-N 3.47Å |
| 122 | A | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 148.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y78 K79 L129 I132 | Y78-A122 CarbonylContact C-O 3.6Å; Y78-A122 WeakPolarHBondContact CA-O 3.31Å; K79-A122 PolarHBondContact N-O 3.25Å; K79-A122 PolarHBondContact O-N 2.85Å; A122-L129 HydrophobicContact CB-CD1 3.78Å; A122-L129 HydrophobicContact CB-CG 4.28Å; A122-I132 HydrophobicContact CB-CB 4.34Å; A122-I132 HydrophobicContact CB-CD1 4.5Å; A122-I132 HydrophobicContact CB-CG1 4.18Å |
| 123 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 148.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P45 P48 P67 I75 Y78 G130 | P45-A123 HydrophobicContact CB-CB 3.83Å; P45-A123 HydrophobicContact CG-CB 4.08Å; P48-A123 HydrophobicContact CG-CB 4.16Å; P67-A123 HydrophobicContact CG-CB 3.58Å; I75-A123 HydrophobicContact CD1-CB 4.15Å; I75-A123 HydrophobicContact CG2-CB 4.01Å; Y78-A123 HydrophobicContact CD1-CB 3.81Å; Y78-A123 HydrophobicContact CE1-CB 3.63Å; A123-G130 PolarHBondContact O-N 2.85Å |
| 124 | L | 96.8 | Very high | 95.9 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 22% | 0.22 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 125.1 | 178.7 | 171.7 | 70.5 | 0 | 0 | 0 | 109 | L76 K77 W94 G128 L129 | L76-L124 PolarHBondContact N-O 3Å; K77-L124 HydrophobicContact CB-CB 4.36Å; K77-L124 HydrophobicContact CB-CD2 4.27Å; K77-L124 PolarHBondContact N-O 2.86Å; K77-L124 PolarHBondContact O-N 3.48Å; W94-L124 HydrophobicContact CE3-CD2 4.46Å; W94-L124 HydrophobicContact CH2-CB 4.32Å; W94-L124 HydrophobicContact CH2-CD2 3.93Å; W94-L124 HydrophobicContact CZ3-CB 3.79Å; W94-L124 HydrophobicContact CZ3-CD2 3.7Å; W94-L124 HydrophobicContact CZ3-CG 4.33Å; L124-G128 WeakPolarHBondContact CD1-O 3.35Å; L124-L129 HydrophobicContact CB-CD1 4.34Å; L124-L129 HydrophobicContact CD1-CB 4.4Å |
| 125 | N | 95.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | -170.4 | 171.5 | 73.6 | 4.7 | 0 | 0 | 0 | 111.1 | D43 P45 T70 V73 P74 I75 K127 G128 | D43-N125 PolarHBondContact O-ND2 2.89Å; P45-N125 VanDerWaalsContact CD-CG 3.5Å; P45-N125 WeakPolarHBondContact CD-ND2 3.44Å; P45-N125 HydrophobicContact CG-CB 3.76Å; T70-N125 PolarHBondContact O-ND2 3.07Å; V73-N125 HydrophobicContact CG2-CB 3.93Å; V73-N125 WeakPolarHBondContact CG2-ND2 3.4Å; P74-N125 WeakPolarHBondContact O-CB 3.38Å; I75-N125 HydrophobicContact CD1-CB 4.27Å; N125-K127 PolarHBondContact O-N 2.83Å; N125-K127 WeakPolarHBondContact OD1-CA 3.39Å; N125-K127 VanDerWaalsContact OD1-CB 3.29Å; N125-K127 WeakPolarHBondContact OD1-CB 3.48Å; N125-K127 PolarHBondContact OD1-N 2.92Å; N125-G128 PolarHBondContact N-O 3.34Å; N125-G128 VanDerWaalsContact N-O 3.13Å; N125-G128 PolarHBondContact O-N 2.93Å; N125-G128 PolarHBondContact OD1-N 3.48Å; N125-G128 PolarHBondContact OD1-O 2.85Å |
| 126 | G | 89.4 | Confident | 96.3 | Very high | 66 Ų | 66 | 41.1 Ų | 41.1 | 68% | 0.68 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -64 | -20.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 127 | K | 89.6 | Confident | 96.3 | Very high | 120 Ų | 120 | 45 Ų | 45 | 52% | 0.522 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -83.5 | -41.1 | 176.3 | -177.6 | 61.7 | 173.5 | -179.4 | 0 | 111.9 | T44 N125 | T44-K127 HydrophobicContact CG2-CB 4.4Å; T44-K127 HydrophobicContact CG2-CG 3.98Å; N125-K127 PolarHBondContact O-N 2.83Å; N125-K127 WeakPolarHBondContact OD1-CA 3.39Å; N125-K127 VanDerWaalsContact OD1-CB 3.29Å; N125-K127 WeakPolarHBondContact OD1-CB 3.48Å; N125-K127 PolarHBondContact OD1-N 2.92Å |
| 128 | G | 92.1 | Very high | 96.1 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 21% | 0.206 | 27% | 0.269 | C | S | . | . | trans | 160.2 | -172.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L124 N125 | L124-G128 WeakPolarHBondContact CD1-O 3.35Å; N125-G128 PolarHBondContact N-O 3.34Å; N125-G128 VanDerWaalsContact N-O 3.13Å; N125-G128 PolarHBondContact O-N 2.93Å; N125-G128 PolarHBondContact OD1-N 3.48Å; N125-G128 PolarHBondContact OD1-O 2.85Å | ||
| 129 | L | 97 | Very high | 96 | Very high | 76 Ų | 76 | 50.3 Ų | 50.3 | 40% | 0.398 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 127.9 | 176.1 | -174.3 | 69.5 | 0 | 0 | 0 | 109.1 | K79 W94 A122 L124 | K79-L129 HydrophobicContact CB-CD1 4.45Å; W94-L129 HydrophobicContact CH2-CD1 3.93Å; W94-L129 HydrophobicContact CZ3-CD1 4.26Å; A122-L129 HydrophobicContact CB-CD1 3.78Å; A122-L129 HydrophobicContact CB-CG 4.28Å; L124-L129 HydrophobicContact CB-CD1 4.34Å; L124-L129 HydrophobicContact CD1-CB 4.4Å |
| 130 | G | 96.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -171.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P45 A123 | P45-G130 CarbonylContact O-C 3.58Å; P45-G130 WeakPolarHBondContact O-CA 3.45Å; A123-G130 PolarHBondContact O-N 2.85Å |
| 131 | E | 97.1 | Very high | 95.1 | Very high | 131 Ų | 131 | 51.4 Ų | 51.4 | 61% | 0.612 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 146.1 | 177 | -169.7 | 170.4 | -166.3 | 0 | 0 | 111.2 | P45 S47 | P45-E131 PolarHBondContact O-N 3.19Å; P45-E131 VanDerWaalsContact O-N 3.07Å; S47-E131 WeakPolarHBondContact CA-O 3.38Å |
| 132 | I | 97.7 | Very high | 94.4 | Very high | 62 Ų | 62 | 54.2 Ų | 54.2 | 32% | 0.318 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 136.8 | -179.7 | -161.2 | 153.8 | 0 | 0 | 0 | 110.3 | E81 R120 L121 A122 | E81-I132 WeakPolarHBondContact OE2-CD1 2.88Å; R120-I132 HydrophobicContact CB-CD1 4.46Å; R120-I132 HydrophobicContact CB-CG1 4.09Å; R120-I132 VanDerWaalsContact CD-CD1 3.41Å; R120-I132 HydrophobicContact CG-CD1 3.69Å; R120-I132 HydrophobicContact CG-CG1 3.87Å; L121-I132 WeakPolarHBondContact O-CA 3.45Å; A122-I132 HydrophobicContact CB-CB 4.34Å; A122-I132 HydrophobicContact CB-CD1 4.5Å; A122-I132 HydrophobicContact CB-CG1 4.18Å |
| 133 | S | 98.1 | Very high | 93.6 | Very high | 9 Ų | 9 | 59 Ų | 59 | 6% | 0.063 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 160.8 | 178.6 | 80.1 | 0 | 0 | 0 | 0 | 111.6 | P48 I50 L121 | P48-S133 WeakPolarHBondContact O-CB 3.37Å; I50-S133 WeakPolarHBondContact CD1-OG 3.3Å; L121-S133 PolarHBondContact N-OG 3.26Å; L121-S133 WeakPolarHBondContact O-CB 3.43Å; L121-S133 PolarHBondContact O-N 3.47Å |
| 134 | A | 95.1 | Very high | 91.9 | Very high | 88 Ų | 88 | 66.5 Ų | 66.5 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 145.1 | 162 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 135 | A | 96.2 | Very high | 89.6 | Confident | 61 Ų | 61 | 68.9 Ų | 68.9 | 50% | 0.504 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -76 | 131.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | W90 A118 V119 | W90-A135 HydrophobicContact CH2-CB 4.3Å; A118-A135 HydrophobicContact CB-CB 4.44Å; V119-A135 CarbonylContact O-C 3.6Å; V119-A135 VanDerWaalsContact O-CA 3.25Å; V119-A135 WeakPolarHBondContact O-CA 3.17Å |
| 136 | S | 97.1 | Very high | 87.1 | Confident | 39 Ų | 39 | 72.7 Ų | 72.7 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.6 | 173.1 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | A118 V119 | A118-S136 CarbonylContact C-O 3.52Å; A118-S136 WeakPolarHBondContact CA-O 3.08Å; V119-S136 WeakPolarHBondContact CG1-O 3.45Å; V119-S136 PolarHBondContact N-O 3.06Å; V119-S136 PolarHBondContact O-N 3.34Å |
| 137 | E | 97.3 | Very high | 84.7 | Confident | 137 Ų | 137 | 75 Ų | 75 | 64% | 0.64 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 138.9 | -180 | -68.1 | -172.7 | -178.6 | 0 | 0 | 111.5 | Y117 A118 | Y117-E137 CarbonylContact O-C 3.46Å; Y117-E137 VanDerWaalsContact O-CA 3.3Å; Y117-E137 WeakPolarHBondContact O-CA 3.24Å; A118-E137 HydrophobicContact CB-CG 4.18Å |
| 138 | F | 95.1 | Very high | 82.7 | Confident | 16 Ų | 16 | 74.7 Ų | 74.7 | 7% | 0.07 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 159.5 | 176.9 | 67.8 | -86.4 | 0 | 0 | 0 | 110.8 | V53 P55 A60 L111 T116 Y117 V119 T140 | V53-F138 HydrophobicContact CB-CB 4.29Å; V53-F138 HydrophobicContact CB-CD1 4.31Å; V53-F138 HydrophobicContact CB-CG 4.4Å; V53-F138 HydrophobicContact CG1-CB 4.04Å; V53-F138 HydrophobicContact CG1-CD1 3.58Å; V53-F138 HydrophobicContact CG1-CD2 4.21Å; V53-F138 HydrophobicContact CG1-CE1 4Å; V53-F138 HydrophobicContact CG1-CG 3.67Å; V53-F138 HydrophobicContact CG1-CZ 4.45Å; P55-F138 HydrophobicContact CB-CD2 3.8Å; A60-F138 HydrophobicContact CB-CD2 4.26Å; A60-F138 HydrophobicContact CB-CE1 4.39Å; A60-F138 HydrophobicContact CB-CE2 3.5Å; A60-F138 VanDerWaalsContact CB-CE2 3.5Å; A60-F138 HydrophobicContact CB-CZ 3.56Å; L111-F138 HydrophobicContact CD1-CE2 3.66Å; L111-F138 HydrophobicContact CD1-CZ 3.72Å; T116-F138 CarbonylContact C-O 3.54Å; T116-F138 WeakPolarHBondContact CA-O 3.5Å; Y117-F138 HydrophobicContact CD2-CE2 4.3Å; Y117-F138 HydrophobicContact CD2-CZ 4.46Å; Y117-F138 HydrophobicContact CG-CZ 4.24Å; Y117-F138 PolarHBondContact N-O 2.81Å; Y117-F138 PolarHBondContact O-N 3.36Å; V119-F138 HydrophobicContact CB-CE1 4.01Å; V119-F138 HydrophobicContact CG1-CD1 3.98Å; V119-F138 HydrophobicContact CG1-CE1 3.76Å; F138-T140 HydrophobicContact CE2-CG2 4.12Å |
| 139 | K | 96.1 | Very high | 80.5 | Confident | 113 Ų | 113 | 79.7 Ų | 79.7 | 49% | 0.491 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.1 | 176.2 | -170 | -179.2 | 178.3 | -174.6 | 0 | 110.4 | P55 E114 | P55-K139 WeakPolarHBondContact CB-O 3.36Å; P55-K139 WeakPolarHBondContact CG-O 3.46Å; E114-K139 VanDerWaalsContact O-CE 3.28Å; E114-K139 WeakPolarHBondContact O-CE 3.47Å |
| 140 | T | 90.1 | Very high | 77.8 | Confident | 3 Ų | 3 | 80.7 Ų | 80.7 | 2% | 0.018 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 150.8 | 174.7 | 51 | 0 | 0 | 0 | 0 | 111.6 | Y56 L111 K112 P113 E114 T115 Y117 F138 | Y56-T140 VanDerWaalsContact O-CA 3.3Å; Y56-T140 WeakPolarHBondContact O-CA 3.34Å; Y56-T140 WeakPolarHBondContact O-CB 3.32Å; Y56-T140 WeakPolarHBondContact O-CG2 3.28Å; L111-T140 HydrophobicContact CB-CG2 3.84Å; L111-T140 HydrophobicContact CD1-CG2 3.83Å; K112-T140 WeakPolarHBondContact O-CB 3.38Å; K112-T140 PolarHBondContact O-OG1 3.31Å; P113-T140 VanDerWaalsContact C-OG1 3.29Å; E114-T140 WeakPolarHBondContact CA-O 3.39Å; E114-T140 PolarHBondContact N-O 3.39Å; E114-T140 PolarHBondContact N-OG1 3.37Å; E114-T140 VanDerWaalsContact N-OG1 3.08Å; T115-T140 PolarHBondContact N-OG1 2.81Å; T115-T140 PolarHBondContact O-N 2.84Å; T115-T140 PolarHBondContact O-OG1 3.13Å; T115-T140 VanDerWaalsContact O-OG1 3.11Å; Y117-T140 HydrophobicContact CD2-CG2 4.11Å; Y117-T140 HydrophobicContact CE2-CG2 4.1Å; F138-T140 HydrophobicContact CE2-CG2 4.12Å |
| 141 | Q | 85.4 | Confident | 75.2 | Confident | 80 Ų | 80 | 85.5 Ų | 85.5 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 155.9 | -177.1 | -63.9 | -176.7 | 6.8 | 0 | 0 | 111.7 | P55 Y56 S57 E114 | P55-Q141 WeakPolarHBondContact O-CG 3.43Å; P55-Q141 PolarHBondContact O-NE2 3.41Å; Y56-Q141 PolarHBondContact O-N 2.88Å; S57-Q141 WeakPolarHBondContact CA-O 3.28Å; E114-Q141 PolarHBondContact N-O 3.01Å |
| 142 | P | 84.6 | Confident | 72.6 | Confident | 60 Ų | 60 | 84 Ų | 84 | 39% | 0.39 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 158.7 | 167.2 | 27.7 | -33.6 | 0 | 0 | 0 | 111.4 | E114 H144 | E114-P142 HydrophobicContact CG-CB 3.76Å; P142-H144 PolarHBondContact O-N 3.39Å |
| 143 | V | 80.3 | Confident | 69.9 | Low | 101 Ų | 101 | 87 Ų | 87 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | trans | -76.4 | 114.2 | 171.7 | -177 | 0 | 0 | 0 | 0 | 108 | P113 S145 | P113-V143 HydrophobicContact CB-CG2 4.1Å; P113-V143 HydrophobicContact CG-CG2 3.79Å; V143-S145 PolarHBondContact O-N 2.81Å; V143-S145 VanDerWaalsContact O-N 3.16Å | ||
| 144 | H | 62.3 | Low | 67 | Low | 157 Ų | 157 | 91.6 Ų | 91.6 | 73% | 0.727 | 59% | 0.587 | S | S | * | * | trans | -70.6 | 108.4 | 174.6 | -80.3 | -73.7 | 0 | 0 | 0 | 110.4 | P142 | P142-H144 PolarHBondContact O-N 3.39Š| ||
| 145 | S | 48.2 | Very low | 64.1 | Low | 93 Ų | 93 | 93.1 Ų | 93.1 | 65% | 0.65 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 138 | 162.7 | 52.9 | 0 | 0 | 0 | 0 | 109.8 | V143 | V143-S145 PolarHBondContact O-N 2.81Å; V143-S145 VanDerWaalsContact O-N 3.16Å |
| 146 | P | 44.2 | Very low | 61.5 | Low | 83 Ų | 83 | 96.4 Ų | 96.4 | 54% | 0.539 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 142.4 | 166.7 | -17.5 | 28.6 | 0 | 0 | 0 | 109.9 | ||
| 147 | P | 39.4 | Very low | 59.2 | Low | 115 Ų | 115 | 100.2 Ų | 100.2 | 75% | 0.747 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 139.1 | 170.4 | 23 | -30.2 | 0 | 0 | 0 | 109 | ||
| 148 | P | 46.3 | Very low | 56.5 | Low | 114 Ų | 114 | 100.5 Ų | 100.5 | 74% | 0.74 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 140 | 177.4 | 20.9 | -30.4 | 0 | 0 | 0 | 109.4 | A150 | P148-A150 PolarHBondContact O-N 2.77Å; P148-A150 VanDerWaalsContact O-N 3.12Å |
| 149 | P | 46.6 | Very low | 54 | Low | 124 Ų | 124 | 105.1 Ų | 105.1 | 81% | 0.805 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 124.3 | 177.1 | 21.6 | -30.1 | 0 | 0 | 0 | 108.6 | S151 | P149-S151 PolarHBondContact O-N 3.48Å; P149-S151 VanDerWaalsContact O-N 3.11Å |
| 150 | A | 39.4 | Very low | 51.6 | Low | 97 Ų | 97 | 108 Ų | 108 | 80% | 0.802 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 120.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | P148 A152 | P148-A150 PolarHBondContact O-N 2.77Å; P148-A150 VanDerWaalsContact O-N 3.12Å; A150-A152 PolarHBondContact O-N 2.85Å |
| 151 | S | 42.3 | Very low | 49.4 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | -55.1 | 108.4 | 172.7 | -56.6 | 0 | 0 | 0 | 0 | 108.8 | P149 S153 | P149-S151 PolarHBondContact O-N 3.48Å; P149-S151 VanDerWaalsContact O-N 3.11Å; S151-S153 PolarHBondContact O-N 2.87Å | ||
| 152 | A | 42 | Very low | 47.6 | Very low | 98 Ų | 98 | 115.2 Ų | 115.2 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | -58.1 | 112.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | A150 S154 | A150-A152 PolarHBondContact O-N 2.85Å; A152-S154 PolarHBondContact O-N 3.12Å; A152-S154 VanDerWaalsContact O-N 3.1Å | ||
| 153 | S | 41.1 | Very low | 45.7 | Very low | 126 Ų | 126 | 118.3 Ų | 118.3 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | trans | -73.2 | 97.3 | 177 | -55.4 | 0 | 0 | 0 | 0 | 108.3 | S151 | S151-S153 PolarHBondContact O-N 2.87Š| ||
| 154 | S | 37.2 | Very low | 43.5 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -101.7 | 103.3 | 162.6 | 67.5 | 0 | 0 | 0 | 0 | 108.9 | A152 T156 | A152-S154 PolarHBondContact O-N 3.12Å; A152-S154 VanDerWaalsContact O-N 3.1Å; S154-T156 PolarHBondContact O-N 3.02Å | ||
| 155 | S | 35.7 | Very low | 42.5 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -51.9 | 122.9 | 173.6 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 156 | T | 41.6 | Very low | 41.9 | Very low | 131 Ų | 131 | 121.6 Ų | 121.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -139.6 | 131.9 | 152.5 | 24.4 | 0 | 0 | 0 | 0 | 108.2 | S154 | S154-T156 PolarHBondContact O-N 3.02Š| ||
| 157 | P | 48.8 | Very low | 42 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -102.4 | 120.9 | -175.2 | 34.3 | -25.7 | 0 | 0 | 0 | 111.7 | ||||
| 158 | V | 40.4 | Very low | 42.3 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -161.5 | 161.5 | 154.7 | -123.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 159 | P | 42.6 | Very low | 42.3 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | -114.2 | 167.5 | -113.8 | 31 | -10.5 | 0 | 0 | 0 | 115.2 | |||||
| 160 | L | 45.1 | Very low | 42.2 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | trans | -20.5 | 129 | 171.6 | -71.4 | 146.2 | 0 | 0 | 0 | 118.3 | ||||
| 161 | S | 43.5 | Very low | 42.4 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -152 | 148.1 | 150.3 | -64.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 162 | P | 48.5 | Very low | 42.5 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | trans | -85.9 | 167.9 | -157.9 | 34.6 | -35.5 | 0 | 0 | 0 | 114.7 | ||||
| 163 | P | 43.5 | Very low | 42.6 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | trans | -87.5 | 131.6 | -171.9 | 33.9 | -29.9 | 0 | 0 | 0 | 111.6 | ||||
| 164 | D | 34.5 | Very low | 42.5 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -108.1 | 120 | 161.1 | -100.3 | -27.1 | 0 | 0 | 0 | 111 | ||||
| 165 | T | 42.2 | Very low | 43 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | trans | -33.1 | 122.3 | 161.7 | -46.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 166 | T | 35.7 | Very low | 43.9 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | -173.8 | 130.8 | 124.4 | -0.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 167 | W | 45.5 | Very low | 44.9 | Very low | 245 Ų | 245 | 137.6 Ų | 137.6 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 142 | 172.8 | -71.4 | 91.9 | 0 | 0 | 0 | 112.4 | ||
| 168 | P | 46.2 | Very low | 45.8 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 156.7 | 166.2 | 34 | -24.2 | 0 | 0 | 0 | 113.8 | ||
| 169 | L | 45.2 | Very low | 47.7 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -56 | 166 | -176.4 | -73.7 | 153.4 | 0 | 0 | 0 | 116.4 | ||
| 170 | P | 46.1 | Very low | 49.6 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -68 | 131.2 | -175.1 | 27.2 | -33.7 | 0 | 0 | 0 | 112.5 | L172 | P170-L172 PolarHBondContact O-N 3.45Š|
| 171 | A | 43.3 | Very low | 51.5 | Low | 101 Ų | 101 | 124.9 Ų | 124.9 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 123.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 172 | L | 44.2 | Very low | 53.5 | Low | 157 Ų | 157 | 121.9 Ų | 121.9 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 143.4 | 159.5 | -77 | 153.9 | 0 | 0 | 0 | 109.6 | P170 T174 | P170-L172 PolarHBondContact O-N 3.45Å; L172-T174 PolarHBondContact O-N 2.82Å |
| 173 | A | 43.6 | Very low | 55.2 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 84% | 0.843 | 68% | 0.678 | S | S | * | * | trans | -56 | 104 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T175 | A173-T175 PolarHBondContact O-N 3.2Å; A173-T175 VanDerWaalsContact O-N 3.14Å | ||
| 174 | T | 38.6 | Very low | 57.3 | Low | 125 Ų | 125 | 112.1 Ų | 112.1 | 77% | 0.767 | 64% | 0.641 | S | S | * | * | trans | -74.4 | 99.1 | 170.1 | -45.4 | 0 | 0 | 0 | 0 | 107.3 | L172 E176 | L172-T174 PolarHBondContact O-N 2.82Å; T174-E176 PolarHBondContact O-N 2.77Å | ||
| 175 | T | 49 | Very low | 59.8 | Low | 132 Ų | 132 | 110.5 Ų | 110.5 | 81% | 0.81 | 63% | 0.626 | S | S | * | * | trans | -54.4 | 109.5 | 160.9 | 15.4 | 0 | 0 | 0 | 0 | 107.7 | A173 | A173-T175 PolarHBondContact O-N 3.2Å; A173-T175 VanDerWaalsContact O-N 3.14Å | ||
| 176 | E | 55.1 | Low | 62 | Low | 172 Ų | 172 | 106 Ų | 106 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 140.5 | 170.2 | -80.7 | -172.3 | 128.6 | 0 | 0 | 109.3 | T174 A178 | T174-E176 PolarHBondContact O-N 2.77Å; E176-A178 PolarHBondContact O-N 3.33Å |
| 177 | P | 62.3 | Low | 64.4 | Low | 120 Ų | 120 | 104.6 Ų | 104.6 | 78% | 0.779 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 125.7 | 178.7 | 25 | -32 | 0 | 0 | 0 | 109.7 | R179 | P177-R179 PolarHBondContact O-N 3.03Š|
| 178 | A | 67.1 | Low | 66.3 | Low | 29 Ų | 29 | 94.5 Ų | 94.5 | 24% | 0.24 | 55% | 0.553 | C | S | . | * | P | Polyproline II helix | trans | -55.6 | 134.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E176 S209 Q259 | E176-A178 PolarHBondContact O-N 3.33Å; A178-S209 WeakPolarHBondContact CB-OG 3.17Å; A178-Q259 HydrophobicContact CB-CG 3.59Å; A178-Q259 WeakPolarHBondContact O-CG 3.22Å; A178-Q259 PolarHBondContact O-NE2 2.92Å |
| 179 | R | 81.1 | Confident | 68.2 | Low | 129 Ų | 129 | 91.9 Ų | 91.9 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | trans | -120.4 | 172.9 | -178.1 | 62 | 178.8 | 179.5 | 161.6 | -0.1 | 111.6 | P177 D205 G207 N257 | P177-R179 PolarHBondContact O-N 3.03Å; R179-D205 IonicContact CZ-OD2 3.86Å; R179-D205 IonicContact NE-OD2 2.82Å; R179-D205 IonicContact NH2-OD2 2.87Å; R179-D205 PolarHBondContact NH2-OD2 2.95Å; R179-G207 WeakPolarHBondContact CG-O 3.34Å; R179-G207 PolarHBondContact N-O 3.35Å; R179-N257 PolarHBondContact O-ND2 3.06Å | ||
| 180 | E | 80.8 | Confident | 70 | Confident | 117 Ų | 117 | 87.7 Ų | 87.7 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 148.6 | 175.7 | -65.8 | 178.6 | 163.8 | 0 | 0 | 111.5 | ||
| 181 | P | 86.4 | Confident | 71.5 | Confident | 6 Ų | 6 | 83 Ų | 83 | 4% | 0.039 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 155.5 | -178.5 | 27.7 | -23.5 | 0 | 0 | 0 | 110.8 | I211 A255 N257 S262 | P181-I211 HydrophobicContact CB-CD1 4.4Å; P181-I211 HydrophobicContact CB-CG1 4.16Å; P181-A255 HydrophobicContact CB-CB 4.18Å; P181-A255 HydrophobicContact CG-CB 3.97Å; P181-A255 WeakPolarHBondContact CG-O 3.25Å; P181-N257 VanDerWaalsContact CD-CG 3.49Å; P181-N257 HydrophobicContact CG-CB 4.08Å; P181-S262 VanDerWaalsContact O-CA 3.22Å; P181-S262 WeakPolarHBondContact O-CA 3.44Å; P181-S262 WeakPolarHBondContact O-CB 3.45Å |
| 182 | S | 84.8 | Confident | 73 | Confident | 52 Ų | 52 | 86.3 Ų | 86.3 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 149.7 | 172.3 | -70.8 | 0 | 0 | 0 | 0 | 111.2 | D205 | S182-D205 PolarHBondContact N-O 3.4Š|
| 183 | A | 84.8 | Confident | 74.5 | Confident | 34 Ų | 34 | 82.4 Ų | 82.4 | 28% | 0.281 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 132.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110 | Q204 K263 A265 | A183-Q204 WeakPolarHBondContact O-CG 3.39Å; A183-K263 HydrophobicContact CB-CB 4.1Å; A183-K263 WeakPolarHBondContact CB-O 3.38Å; A183-A265 HydrophobicContact CB-CB 4.47Å |
| 184 | P | 86.7 | Confident | 76 | Confident | 5 Ų | 5 | 77.9 Ų | 77.9 | 3% | 0.032 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 153.7 | 176.6 | 24.5 | -30.3 | 0 | 0 | 0 | 110.7 | Y214 V253 A265 | P184-Y214 HydrophobicContact CB-CE1 4.38Å; P184-Y214 HydrophobicContact CG-CD1 4.43Å; P184-Y214 HydrophobicContact CG-CE1 4.43Å; P184-V253 HydrophobicContact CG-CB 4.07Å; P184-V253 HydrophobicContact CG-CG1 3.69Å; P184-A265 HydrophobicContact CG-CB 3.92Å; P184-A265 WeakPolarHBondContact O-CB 3.01Å |
| 185 | K | 86.9 | Confident | 78.1 | Confident | 130 Ų | 130 | 73.5 Ų | 73.5 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 141.4 | 165.7 | -72.6 | 179.5 | -177.8 | -179.9 | 0 | 108.7 | I202 Q204 | K185-I202 HydrophobicContact CB-CB 3.95Å; K185-I202 HydrophobicContact CB-CD1 4.32Å; K185-I202 HydrophobicContact CB-CG2 4.44Å; K185-I202 PolarHBondContact N-O 3.39Å; K185-I202 PolarHBondContact O-N 3.21Å; K185-Q204 HydrophobicContact CG-CG 4.4Å |
| 186 | L | 88 | Confident | 79.8 | Confident | 24 Ų | 24 | 67.5 Ų | 67.5 | 13% | 0.126 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.9 | -176.6 | -59.8 | 178.1 | 0 | 0 | 0 | 109.8 | V199 N200 L201 V253 A265 F267 | L186-V199 HydrophobicContact CB-CG1 4.22Å; L186-V199 HydrophobicContact CD2-CG1 4.07Å; L186-N200 WeakPolarHBondContact CA-O 3.04Å; L186-L201 HydrophobicContact CD2-CG 4.25Å; L186-V253 HydrophobicContact CD1-CB 3.95Å; L186-V253 HydrophobicContact CD1-CG2 3.61Å; L186-V253 HydrophobicContact CD2-CB 3.76Å; L186-V253 HydrophobicContact CD2-CG1 4.27Å; L186-V253 HydrophobicContact CD2-CG2 3.5Å; L186-V253 HydrophobicContact CG-CB 4.36Å; L186-V253 HydrophobicContact CG-CG2 4.18Å; L186-A265 HydrophobicContact CD1-CB 3.69Å; L186-A265 HydrophobicContact CG-CB 3.76Å; L186-F267 HydrophobicContact CB-CB 3.85Å; L186-F267 HydrophobicContact CB-CG 4.33Å; L186-F267 HydrophobicContact CD1-CB 3.82Å |
| 187 | E | 86.3 | Confident | 81.4 | Confident | 109 Ų | 109 | 59.4 Ų | 59.4 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 139.5 | 173.1 | -66 | -178.2 | 175.5 | 0 | 0 | 108.7 | V199 N200 I202 | E187-V199 CarbonylContact O-C 3.58Å; E187-V199 WeakPolarHBondContact O-CA 2.92Å; E187-N200 HydrophobicContact CB-CB 4.4Å; E187-N200 PolarHBondContact N-O 2.73Å; E187-N200 PolarHBondContact O-N 2.95Å; E187-I202 VanDerWaalsContact CD-CD1 3.46Å; E187-I202 HydrophobicContact CG-CD1 3.9Å; E187-I202 WeakPolarHBondContact OE1-CD1 3.48Å |
| 188 | G | 86.5 | Confident | 82.7 | Confident | 33 Ų | 33 | 54.7 Ų | 54.7 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 189 | Q | 85.2 | Confident | 83.8 | Confident | 67 Ų | 67 | 53.3 Ų | 53.3 | 31% | 0.313 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 118.3 | 171 | -66.4 | 172.5 | -8.7 | 0 | 0 | 108.6 | E103 I197 K198 N200 | E103-Q189 PolarHBondContact OE1-NE2 3.47Å; E103-Q189 VanDerWaalsContact OE1-NE2 3.1Å; Q189-I197 WeakPolarHBondContact O-CG1 3.37Å; Q189-K198 HydrophobicContact CB-CB 4.41Å; Q189-K198 PolarHBondContact N-O 3.11Å; Q189-K198 PolarHBondContact O-N 2.86Å; Q189-N200 PolarHBondContact NE2-ND2 3.46Å |
| 190 | M | 83.4 | Confident | 84 | Confident | 77 Ų | 77 | 48.3 Ų | 48.3 | 38% | 0.379 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 135.2 | 178.1 | -72.6 | -61.1 | -61.7 | 0 | 0 | 110.8 | G194 I197 F269 | M190-G194 WeakPolarHBondContact CE-O 3.41Å; M190-I197 HydrophobicContact SD-CB 4.1Å; M190-I197 HydrophobicContact SD-CD1 3.94Å; M190-I197 HydrophobicContact SD-CG1 4.08Å; M190-F269 HydrophobicContact SD-CD2 4.05Å |
| 191 | G | 76.9 | Confident | 84.3 | Confident | 23 Ų | 23 | 43 Ų | 43 | 24% | 0.237 | 24% | 0.235 | C | C | . | . | trans | -70.5 | 155 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | D193 G194 S196 | G191-D193 PolarHBondContact O-N 2.79Å; G191-D193 VanDerWaalsContact O-N 3.17Å; G191-G194 PolarHBondContact O-N 3.31Å; G191-S196 PolarHBondContact N-O 3.01Å | ||
| 192 | E | 75.3 | Confident | 84.2 | Confident | 170 Ų | 170 | 45.6 Ų | 45.6 | 79% | 0.794 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.7 | 177.5 | -68 | 171.3 | -151 | 0 | 0 | 112.8 | K98 G194 | K98-E192 IonicContact NZ-OE1 2.86Å; K98-E192 PolarHBondContact NZ-OE1 3.26Å; E192-G194 VanDerWaalsContact C-N 3.27Å; E192-G194 PolarHBondContact O-N 3.39Å |
| 193 | D | 75.1 | Confident | 84.1 | Confident | 75 Ų | 75 | 47.3 Ų | 47.3 | 40% | 0.401 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -14.4 | 175.7 | 59.7 | -3 | 0 | 0 | 0 | 113.4 | G191 N195 S196 W245 | G191-D193 PolarHBondContact O-N 2.79Å; G191-D193 VanDerWaalsContact O-N 3.17Å; D193-N195 PolarHBondContact O-N 2.86Å; D193-N195 PolarHBondContact OD2-OD1 2.87Å; D193-S196 VanDerWaalsContact OD1-CB 3.29Å; D193-S196 WeakPolarHBondContact OD1-CB 3.22Å; D193-S196 PolarHBondContact OD1-N 2.92Å; D193-S196 VanDerWaalsContact OD1-N 3.12Å; D193-S196 PolarHBondContact OD1-OG 2.85Å; D193-S196 VanDerWaalsContact OD2-CB 3.3Å; D193-S196 WeakPolarHBondContact OD2-CB 3.48Å; D193-S196 PolarHBondContact OD2-OG 2.8Å; D193-S196 VanDerWaalsContact OD2-OG 3.05Å; D193-W245 WeakPolarHBondContact O-CH2 3.36Å; D193-W245 VanDerWaalsContact O-CZ3 3.28Å; D193-W245 WeakPolarHBondContact O-CZ3 3.38Å |
| 194 | G | 76 | Confident | 84.1 | Confident | 7 Ų | 7 | 49 Ų | 49 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 72.4 | -9.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | M190 G191 E192 S272 | M190-G194 WeakPolarHBondContact CE-O 3.41Å; G191-G194 PolarHBondContact O-N 3.31Å; E192-G194 VanDerWaalsContact C-N 3.27Å; E192-G194 PolarHBondContact O-N 3.39Å; G194-S272 WeakPolarHBondContact O-CB 3.34Å; G194-S272 PolarHBondContact O-N 2.75Å |
| 195 | N | 82.2 | Confident | 83.9 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 17% | 0.171 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -119.6 | 16.4 | 174.4 | 73.4 | -16.9 | 0 | 0 | 0 | 113.2 | D193 S242 L243 W245 | D193-N195 PolarHBondContact O-N 2.86Å; D193-N195 PolarHBondContact OD2-OD1 2.87Å; N195-S242 PolarHBondContact O-N 3.2Å; N195-L243 WeakPolarHBondContact O-CB 3.48Å; N195-L243 PolarHBondContact O-N 2.73Å; N195-W245 HydrophobicContact CB-CD2 3.95Å; N195-W245 HydrophobicContact CB-CE3 3.91Å; N195-W245 HydrophobicContact CB-CH2 3.77Å; N195-W245 HydrophobicContact CB-CZ2 3.77Å; N195-W245 HydrophobicContact CB-CZ3 3.81Å |
| 196 | S | 85.9 | Confident | 83.5 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | trans | -127.3 | 157.1 | 165.6 | 77 | 0 | 0 | 0 | 0 | 111.6 | G191 D193 L240 | G191-S196 PolarHBondContact N-O 3.01Å; D193-S196 VanDerWaalsContact OD1-CB 3.29Å; D193-S196 WeakPolarHBondContact OD1-CB 3.22Å; D193-S196 PolarHBondContact OD1-N 2.92Å; D193-S196 VanDerWaalsContact OD1-N 3.12Å; D193-S196 PolarHBondContact OD1-OG 2.85Å; D193-S196 VanDerWaalsContact OD2-CB 3.3Å; D193-S196 WeakPolarHBondContact OD2-CB 3.48Å; D193-S196 PolarHBondContact OD2-OG 2.8Å; D193-S196 VanDerWaalsContact OD2-OG 3.05Å; S196-L240 CarbonylContact C-O 3.56Å; S196-L240 WeakPolarHBondContact CA-O 3.34Å; S196-L240 WeakPolarHBondContact CB-O 3.34Å | ||
| 197 | I | 88.2 | Confident | 83.1 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 135.8 | 173 | -169.2 | 170.5 | 0 | 0 | 0 | 109.8 | Q189 M190 V199 L240 L243 F267 F269 | Q189-I197 WeakPolarHBondContact O-CG1 3.37Å; M190-I197 HydrophobicContact SD-CB 4.1Å; M190-I197 HydrophobicContact SD-CD1 3.94Å; M190-I197 HydrophobicContact SD-CG1 4.08Å; I197-V199 HydrophobicContact CD1-CG2 4.43Å; I197-V199 HydrophobicContact CG1-CG2 4.32Å; I197-V199 HydrophobicContact CG2-CG2 4.01Å; I197-L240 HydrophobicContact CG2-CB 3.87Å; I197-L240 HydrophobicContact CG2-CD1 4.14Å; I197-L240 HydrophobicContact CG2-CG 4.33Å; I197-L240 PolarHBondContact N-O 3Å; I197-L240 PolarHBondContact O-N 2.85Å; I197-L243 HydrophobicContact CG2-CD1 3.93Å; I197-F267 HydrophobicContact CD1-CE1 3.84Å; I197-F269 HydrophobicContact CB-CD2 4.42Å; I197-F269 HydrophobicContact CB-CE2 4.05Å; I197-F269 HydrophobicContact CB-CZ 4.29Å; I197-F269 HydrophobicContact CD1-CB 3.86Å; I197-F269 HydrophobicContact CD1-CD1 3.73Å; I197-F269 HydrophobicContact CD1-CD2 3.51Å; I197-F269 HydrophobicContact CD1-CE1 4.13Å; I197-F269 HydrophobicContact CD1-CE2 3.94Å; I197-F269 HydrophobicContact CD1-CG 3.4Å; I197-F269 VanDerWaalsContact CD1-CG 3.4Å; I197-F269 HydrophobicContact CD1-CZ 4.24Å; I197-F269 HydrophobicContact CG2-CD2 4.35Å; I197-F269 HydrophobicContact CG2-CE1 3.89Å; I197-F269 HydrophobicContact CG2-CE2 3.65Å; I197-F269 HydrophobicContact CG2-CZ 3.4Å |
| 198 | K | 89.9 | Confident | 82.6 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 109.3 | 165.7 | -172.2 | 177.1 | 179 | 177.5 | 0 | 107.2 | E99 Q189 H237 M239 | E99-K198 IonicContact OE1-NZ 2.69Å; E99-K198 PolarHBondContact OE1-NZ 3.44Å; E99-K198 IonicContact OE2-NZ 3.62Å; Q189-K198 HydrophobicContact CB-CB 4.41Å; Q189-K198 PolarHBondContact N-O 3.11Å; Q189-K198 PolarHBondContact O-N 2.86Å; K198-H237 VanDerWaalsContact CE-CG 3.49Å; K198-H237 HydrophobicContact CG-CB 3.97Å; K198-M239 HydrophobicContact CB-CE 3.75Å; K198-M239 HydrophobicContact CB-SD 3.97Å; K198-M239 HydrophobicContact CD-CE 4.11Å; K198-M239 HydrophobicContact CG-CE 3.93Å |
| 199 | V | 89.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 112 | 172.4 | -177.6 | 0 | 0 | 0 | 0 | 107.3 | L186 E187 I197 L201 H237 V238 L240 | L186-V199 HydrophobicContact CB-CG1 4.22Å; L186-V199 HydrophobicContact CD2-CG1 4.07Å; E187-V199 CarbonylContact O-C 3.58Å; E187-V199 WeakPolarHBondContact O-CA 2.92Å; I197-V199 HydrophobicContact CD1-CG2 4.43Å; I197-V199 HydrophobicContact CG1-CG2 4.32Å; I197-V199 HydrophobicContact CG2-CG2 4.01Å; V199-L201 WeakPolarHBondContact O-CD1 3.38Å; V199-H237 CarbonylContact O-C 3.59Å; V199-H237 VanDerWaalsContact O-CA 3.25Å; V199-H237 WeakPolarHBondContact O-CA 3.34Å; V199-V238 HydrophobicContact CB-CG1 3.71Å; V199-V238 HydrophobicContact CG1-CG1 4.39Å; V199-V238 HydrophobicContact CG2-CG1 4.44Å; V199-V238 PolarHBondContact N-O 3Å; V199-V238 PolarHBondContact O-N 3.42Å; V199-L240 HydrophobicContact CG2-CD1 4.32Å |
| 200 | N | 85.7 | Confident | 81.9 | Confident | 23 Ų | 23 | 46 Ų | 46 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 131.2 | 175.9 | -66.6 | -34.4 | 0 | 0 | 0 | 109.6 | L186 E187 Q189 H237 | L186-N200 WeakPolarHBondContact CA-O 3.04Å; E187-N200 HydrophobicContact CB-CB 4.4Å; E187-N200 PolarHBondContact N-O 2.73Å; E187-N200 PolarHBondContact O-N 2.95Å; Q189-N200 PolarHBondContact NE2-ND2 3.46Å; N200-H237 WeakPolarHBondContact OD1-CB 3.3Å |
| 201 | L | 86.3 | Confident | 81.9 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 99.2 | 177.7 | -72.6 | 82.7 | 0 | 0 | 0 | 108.7 | L186 V199 K203 Y214 L231 D236 V238 V253 | L186-L201 HydrophobicContact CD2-CG 4.25Å; V199-L201 WeakPolarHBondContact O-CD1 3.38Å; L201-K203 PolarHBondContact O-N 3.41Å; L201-Y214 HydrophobicContact CD2-CD1 3.89Å; L201-Y214 HydrophobicContact CD2-CD2 4.02Å; L201-Y214 HydrophobicContact CD2-CE1 4.46Å; L201-Y214 HydrophobicContact CD2-CG 3.64Å; L201-L231 HydrophobicContact CD1-CD1 4.22Å; L201-L231 HydrophobicContact CD2-CD1 4Å; L201-D236 PolarHBondContact N-O 2.95Å; L201-V238 HydrophobicContact CD1-CB 4.11Å; L201-V238 HydrophobicContact CD1-CG1 3.87Å; L201-V253 HydrophobicContact CD2-CG1 3.66Å; L201-V253 HydrophobicContact CG-CG1 4.28Å |
| 202 | I | 84.1 | Confident | 82.3 | Confident | 60 Ų | 60 | 49 Ų | 49 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 105.9 | 174.8 | -56.7 | 171.8 | 0 | 0 | 0 | 107.6 | K185 E187 Q204 | K185-I202 HydrophobicContact CB-CB 3.95Å; K185-I202 HydrophobicContact CB-CD1 4.32Å; K185-I202 HydrophobicContact CB-CG2 4.44Å; K185-I202 PolarHBondContact N-O 3.39Å; K185-I202 PolarHBondContact O-N 3.21Å; E187-I202 VanDerWaalsContact CD-CD1 3.46Å; E187-I202 HydrophobicContact CG-CD1 3.9Å; E187-I202 WeakPolarHBondContact OE1-CD1 3.48Å; I202-Q204 PolarHBondContact O-N 2.48Å |
| 203 | K | 82.3 | Confident | 82.7 | Confident | 88 Ų | 88 | 42.8 Ų | 42.8 | 38% | 0.383 | 23% | 0.232 | S | C | . | . | trans | -58.1 | 137.1 | 178.3 | -53.5 | -165.4 | 169.9 | 68.1 | 0 | 109.8 | L201 Y214 S233 S235 | L201-K203 PolarHBondContact O-N 3.41Å; K203-Y214 WeakPolarHBondContact CD-OH 3.15Å; K203-Y214 VanDerWaalsContact CG-OH 3.26Å; K203-Y214 WeakPolarHBondContact CG-OH 3.3Å; K203-S233 WeakPolarHBondContact CE-O 3.28Å; K203-S235 PolarHBondContact NZ-O 3.15Å | ||
| 204 | Q | 86.1 | Confident | 83.3 | Confident | 71 Ų | 71 | 39.2 Ų | 39.2 | 33% | 0.332 | 21% | 0.213 | S | C | . | . | trans | -114 | -170.6 | 174.9 | -62.5 | -61.6 | -76.9 | 0 | 0 | 109.1 | A183 K185 I202 D206 | A183-Q204 WeakPolarHBondContact O-CG 3.39Å; K185-Q204 HydrophobicContact CG-CG 4.4Å; I202-Q204 PolarHBondContact O-N 2.48Å; Q204-D206 PolarHBondContact O-N 2.93Å | ||
| 205 | D | 81.2 | Confident | 84 | Confident | 63 Ų | 63 | 39 Ų | 39 | 34% | 0.337 | 21% | 0.21 | S | C | . | . | trans | -49.4 | 126.1 | 176.1 | 176.8 | 30.2 | 0 | 0 | 0 | 111.8 | R179 S182 G207 | R179-D205 IonicContact CZ-OD2 3.86Å; R179-D205 IonicContact NE-OD2 2.82Å; R179-D205 IonicContact NH2-OD2 2.87Å; R179-D205 PolarHBondContact NH2-OD2 2.95Å; S182-D205 PolarHBondContact N-O 3.4Å; D205-G207 VanDerWaalsContact C-N 3.26Å; D205-G207 PolarHBondContact O-N 3.15Å; D205-G207 PolarHBondContact OD1-N 3.31Å; D205-G207 VanDerWaalsContact OD1-N 3.11Å | ||
| 206 | D | 78.6 | Confident | 84.4 | Confident | 62 Ų | 62 | 37.5 Ų | 37.5 | 33% | 0.332 | 20% | 0.202 | S | C | . | . | trans | -84.2 | -3.7 | -178.2 | 68.9 | -0.5 | 0 | 0 | 0 | 112.7 | Q204 G208 S209 I211 N257 | Q204-D206 PolarHBondContact O-N 2.93Å; D206-G208 VanDerWaalsContact C-N 3.29Å; D206-G208 PolarHBondContact O-N 3.46Å; D206-G208 PolarHBondContact OD1-N 2.81Å; D206-S209 WeakPolarHBondContact CB-O 3.32Å; D206-I211 HydrophobicContact CB-CD1 4.31Å; D206-I211 HydrophobicContact CB-CG1 4.06Å; D206-N257 PolarHBondContact O-ND2 2.95Å | ||
| 207 | G | 79.3 | Confident | 84.6 | Confident | 4 Ų | 4 | 42 Ų | 42 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 20.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R179 D205 | R179-G207 WeakPolarHBondContact CG-O 3.34Å; R179-G207 PolarHBondContact N-O 3.35Å; D205-G207 VanDerWaalsContact C-N 3.26Å; D205-G207 PolarHBondContact O-N 3.15Å; D205-G207 PolarHBondContact OD1-N 3.31Å; D205-G207 VanDerWaalsContact OD1-N 3.11Å |
| 208 | G | 75.7 | Confident | 84.7 | Confident | 60 Ų | 60 | 43.6 Ų | 43.6 | 62% | 0.619 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 14.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D206 | D206-G208 VanDerWaalsContact C-N 3.29Å; D206-G208 PolarHBondContact O-N 3.46Å; D206-G208 PolarHBondContact OD1-N 2.81Å |
| 209 | S | 76.1 | Confident | 84.6 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -144.4 | 135.1 | 171.5 | -80.3 | 0 | 0 | 0 | 0 | 110.6 | A178 D206 I211 | A178-S209 WeakPolarHBondContact CB-OG 3.17Å; D206-S209 WeakPolarHBondContact CB-O 3.32Å; S209-I211 PolarHBondContact O-N 3.1Å |
| 210 | P | 81.4 | Confident | 84.5 | Confident | 99 Ų | 99 | 46.2 Ų | 46.2 | 64% | 0.643 | 23% | 0.234 | S | C | * | . | trans | -61.1 | 132.2 | -173.7 | 21.7 | -30.6 | 0 | 0 | 0 | 111.2 | R212 | P210-R212 PolarHBondContact O-N 3.42Š| ||
| 211 | I | 84.8 | Confident | 84.4 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | trans | -58.9 | 132.9 | 170.9 | -61.2 | 168 | 0 | 0 | 0 | 107.6 | P181 D206 S209 Y214 S233 A255 | P181-I211 HydrophobicContact CB-CD1 4.4Å; P181-I211 HydrophobicContact CB-CG1 4.16Å; D206-I211 HydrophobicContact CB-CD1 4.31Å; D206-I211 HydrophobicContact CB-CG1 4.06Å; S209-I211 PolarHBondContact O-N 3.1Å; I211-Y214 HydrophobicContact CD1-CE1 4.26Å; I211-Y214 VanDerWaalsContact CD1-OH 3.29Å; I211-Y214 WeakPolarHBondContact CD1-OH 3.4Å; I211-Y214 HydrophobicContact CG2-CE1 4.16Å; I211-Y214 HydrophobicContact CG2-CE2 4.08Å; I211-S233 WeakPolarHBondContact O-CB 3.4Å; I211-A255 HydrophobicContact CD1-CB 4Å; I211-A255 HydrophobicContact CG1-CB 4.36Å; I211-A255 HydrophobicContact CG2-CB 4.16Å | ||
| 212 | R | 84.5 | Confident | 83.8 | Confident | 147 Ų | 147 | 54.3 Ų | 54.3 | 56% | 0.555 | 29% | 0.285 | S | S | * | . | trans | -92.4 | -42.4 | -178.6 | -69.3 | -176.3 | 172.6 | -176.6 | -0.7 | 111.7 | P210 S233 E256 | P210-R212 PolarHBondContact O-N 3.42Å; R212-S233 WeakPolarHBondContact O-CB 3.29Å; R212-S233 PolarHBondContact O-N 2.96Å; R212-E256 PolarHBondContact N-O 2.83Å | ||
| 213 | H | 83.7 | Confident | 83.8 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 161.7 | 179.3 | 55.6 | -83.6 | 0 | 0 | 0 | 110.9 | L215 R230 L231 E256 | H213-L215 VanDerWaalsContact CD2-CD2 3.5Å; H213-L215 WeakPolarHBondContact CD2-CD2 3.22Å; H213-R230 PolarHBondContact NE2-NH1 2.84Å; H213-L231 CarbonylContact C-O 3.54Å; H213-L231 WeakPolarHBondContact CA-O 3.49Å; H213-L231 WeakPolarHBondContact CB-O 3.42Å; H213-E256 VanDerWaalsContact CE1-CD 3.47Å; H213-E256 IonicContact CE1-OE1 2.65Å; H213-E256 IonicContact CE1-OE2 3.18Å; H213-E256 IonicContact NE2-OE1 2.83Å; H213-E256 IonicContact NE2-OE2 3.54Å; H213-E256 PolarHBondContact NE2-OE2 2.81Å; H213-E256 PolarHBondContact O-N 2.91Å |
| 214 | Y | 88.4 | Confident | 84 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 138.2 | 169.2 | -61.1 | -88.9 | 0 | 0 | 0 | 110 | P184 L201 K203 I211 R230 L231 V253 V254 A255 | P184-Y214 HydrophobicContact CB-CE1 4.38Å; P184-Y214 HydrophobicContact CG-CD1 4.43Å; P184-Y214 HydrophobicContact CG-CE1 4.43Å; L201-Y214 HydrophobicContact CD2-CD1 3.89Å; L201-Y214 HydrophobicContact CD2-CD2 4.02Å; L201-Y214 HydrophobicContact CD2-CE1 4.46Å; L201-Y214 HydrophobicContact CD2-CG 3.64Å; K203-Y214 WeakPolarHBondContact CD-OH 3.15Å; K203-Y214 VanDerWaalsContact CG-OH 3.26Å; K203-Y214 WeakPolarHBondContact CG-OH 3.3Å; I211-Y214 HydrophobicContact CD1-CE1 4.26Å; I211-Y214 VanDerWaalsContact CD1-OH 3.29Å; I211-Y214 WeakPolarHBondContact CD1-OH 3.4Å; I211-Y214 HydrophobicContact CG2-CE1 4.16Å; I211-Y214 HydrophobicContact CG2-CE2 4.08Å; Y214-R230 WeakPolarHBondContact O-CA 3.47Å; Y214-L231 PolarHBondContact N-O 3.05Å; Y214-L231 PolarHBondContact O-N 2.56Å; Y214-V253 HydrophobicContact CD1-CG1 4.17Å; Y214-V254 CarbonylContact C-O 3.57Å; Y214-V254 VanDerWaalsContact CA-O 3.31Å; Y214-V254 WeakPolarHBondContact CA-O 3.49Å; Y214-A255 HydrophobicContact CD1-CB 3.84Å; Y214-A255 HydrophobicContact CE1-CB 3.61Å |
| 215 | L | 89.4 | Confident | 84 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 112.7 | 173.9 | -57.2 | 176.3 | 0 | 0 | 0 | 108.1 | H213 E228 R230 V253 V254 K261 | H213-L215 VanDerWaalsContact CD2-CD2 3.5Å; H213-L215 WeakPolarHBondContact CD2-CD2 3.22Å; L215-E228 HydrophobicContact CB-CG 4.28Å; L215-E228 HydrophobicContact CD2-CG 4.35Å; L215-R230 HydrophobicContact CD2-CG 3.8Å; L215-V253 WeakPolarHBondContact O-CA 3.29Å; L215-V254 HydrophobicContact CB-CB 4.34Å; L215-V254 PolarHBondContact N-O 2.99Å; L215-V254 PolarHBondContact O-N 3.49Å; L215-K261 HydrophobicContact CD1-CD 4.32Å |
| 216 | V | 91.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.6 | 178 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | E228 I229 L231 V238 V251 Y252 V253 | V216-E228 WeakPolarHBondContact O-CA 3.28Å; V216-I229 HydrophobicContact CB-CB 4.24Å; V216-I229 PolarHBondContact N-O 2.86Å; V216-I229 PolarHBondContact O-N 2.78Å; V216-L231 HydrophobicContact CG2-CD1 3.47Å; V216-L231 VanDerWaalsContact CG2-CD1 3.47Å; V216-L231 HydrophobicContact CG2-CG 4.16Å; V216-V238 HydrophobicContact CG1-CG1 4.29Å; V216-V238 HydrophobicContact CG2-CG1 4.38Å; V216-V251 HydrophobicContact CG1-CG1 3.9Å; V216-Y252 WeakPolarHBondContact CA-O 3.32Å; V216-V253 HydrophobicContact CB-CG2 4.45Å; V216-V253 HydrophobicContact CG1-CG2 4.15Å; V216-V253 HydrophobicContact CG2-CG1 4.16Å; V216-V253 HydrophobicContact CG2-CG2 3.94Å |
| 217 | R | 89.8 | Confident | 84.3 | Confident | 102 Ų | 102 | 61.6 Ų | 61.6 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 137.6 | 171.8 | -66.5 | -175.5 | -68.4 | 174.6 | -1.7 | 108.5 | W225 E228 V251 Y252 | R217-W225 HydrophobicContact CB-CE3 3.91Å; R217-W225 HydrophobicContact CB-CZ3 4.06Å; R217-E228 HydrophobicContact CG-CB 3.98Å; R217-E228 HydrophobicContact CG-CG 3.87Å; R217-V251 CarbonylContact O-C 3.57Å; R217-V251 WeakPolarHBondContact O-CA 3.41Å; R217-Y252 PolarHBondContact N-O 2.91Å; R217-Y252 PolarHBondContact O-N 2.81Å |
| 218 | Y | 89.9 | Confident | 84.8 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 14% | 0.137 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 150.8 | 178.4 | 68.4 | -73.8 | 0 | 0 | 0 | 110.4 | K226 I229 L240 L243 Y249 E250 | Y218-K226 HydrophobicContact CD1-CB 4.19Å; Y218-K226 HydrophobicContact CD2-CB 4.39Å; Y218-K226 HydrophobicContact CD2-CG 4.12Å; Y218-K226 HydrophobicContact CE1-CB 3.78Å; Y218-K226 HydrophobicContact CE1-CG 4.4Å; Y218-K226 HydrophobicContact CE2-CB 4.05Å; Y218-K226 HydrophobicContact CE2-CG 3.73Å; Y218-K226 HydrophobicContact CG-CB 4.45Å; Y218-K226 VanDerWaalsContact O-CB 3.32Å; Y218-K226 WeakPolarHBondContact O-CB 3.47Å; Y218-K226 PolarHBondContact O-N 2.78Å; Y218-I229 HydrophobicContact CD1-CD1 4.34Å; Y218-I229 HydrophobicContact CE1-CD1 3.71Å; Y218-I229 HydrophobicContact CE1-CG1 4.41Å; Y218-L240 HydrophobicContact CD1-CD1 4.37Å; Y218-L240 HydrophobicContact CD1-CD2 3.78Å; Y218-L240 HydrophobicContact CD2-CD1 4.08Å; Y218-L240 HydrophobicContact CD2-CD2 4.45Å; Y218-L240 HydrophobicContact CE1-CD2 3.81Å; Y218-L240 HydrophobicContact CE2-CD2 4.44Å; Y218-L240 HydrophobicContact CG-CD1 3.91Å; Y218-L240 HydrophobicContact CG-CD2 4.13Å; Y218-L243 HydrophobicContact CD2-CD2 4.13Å; Y218-L243 HydrophobicContact CE2-CD2 3.75Å; Y218-Y249 HydrophobicContact CD2-CD1 4.15Å; Y218-Y249 HydrophobicContact CD2-CE1 4.24Å; Y218-E250 VanDerWaalsContact CA-O 3.22Å; Y218-E250 WeakPolarHBondContact CA-O 3.38Å |
| 219 | R | 87.4 | Confident | 85.3 | Confident | 74 Ų | 74 | 64.3 Ų | 64.3 | 28% | 0.279 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 154.1 | 172.8 | 68.1 | 175.6 | 174.9 | 179.1 | 2.1 | 111.1 | S223 E224 W225 Y249 E250 | R219-S223 WeakPolarHBondContact CD-O 3.47Å; R219-E224 WeakPolarHBondContact CB-O 3.49Å; R219-W225 HydrophobicContact CB-CD2 4.21Å; R219-W225 HydrophobicContact CB-CE3 3.93Å; R219-W225 HydrophobicContact CB-CZ3 4.26Å; R219-W225 VanDerWaalsContact CD-CE2 3.46Å; R219-W225 HydrophobicContact CG-CD2 4.01Å; R219-W225 HydrophobicContact CG-CE3 3.86Å; R219-W225 HydrophobicContact CG-CH2 3.92Å; R219-W225 HydrophobicContact CG-CZ2 4.15Å; R219-W225 HydrophobicContact CG-CZ3 3.81Å; R219-W225 VanDerWaalsContact CZ-CZ2 3.46Å; R219-W225 VanDerWaalsContact NH1-NE1 3.18Å; R219-Y249 CarbonylContact O-C 3.56Å; R219-Y249 VanDerWaalsContact O-CA 3.27Å; R219-Y249 WeakPolarHBondContact O-CA 3.31Å; R219-Y249 WeakPolarHBondContact O-CD1 3.3Å; R219-E250 HydrophobicContact CG-CG 3.83Å; R219-E250 IonicContact CZ-OE1 3.09Å; R219-E250 PolarHBondContact N-O 2.86Å; R219-E250 IonicContact NE-OE1 2.65Å; R219-E250 PolarHBondContact NE-OE1 3.04Å; R219-E250 IonicContact NH2-OE1 2.69Å; R219-E250 PolarHBondContact NH2-OE1 2.82Å; R219-E250 PolarHBondContact O-N 3.41Å |
| 220 | A | 87.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 141.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | S222 S223 E248 Y249 | A220-S222 PolarHBondContact O-N 3.36Å; A220-S223 PolarHBondContact O-N 3.01Å; A220-E248 CarbonylContact C-O 3.58Å; A220-E248 VanDerWaalsContact CA-O 3.31Å; A220-E248 WeakPolarHBondContact CA-O 3.5Å; A220-Y249 HydrophobicContact CB-CD1 4.28Å; A220-Y249 HydrophobicContact CB-CE1 3.91Å; A220-Y249 HydrophobicContact CB-CE2 4.15Å |
| 221 | L | 83.1 | Confident | 86 | Confident | 93 Ų | 93 | 67 Ų | 67 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.7 | 177.8 | -83.9 | 135.8 | 0 | 0 | 0 | 113 | E248 | L221-E248 HydrophobicContact CD1-CB 3.57Å; L221-E248 HydrophobicContact CD1-CG 3.39Å; L221-E248 WeakPolarHBondContact CD1-OE2 3.27Å; L221-E248 PolarHBondContact N-O 3.05Å |
| 222 | S | 75.1 | Confident | 86 | Confident | 107 Ų | 107 | 70.2 Ų | 70.2 | 75% | 0.748 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 3.5 | 175.5 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | A220 | A220-S222 PolarHBondContact O-N 3.36Š|
| 223 | S | 83.4 | Confident | 85.7 | Confident | 51 Ų | 51 | 65.6 Ų | 65.6 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -135.6 | 167.9 | -170.6 | -66.1 | 0 | 0 | 0 | 0 | 113.9 | R219 A220 | R219-S223 WeakPolarHBondContact CD-O 3.47Å; A220-S223 PolarHBondContact O-N 3.01Å |
| 224 | E | 86.2 | Confident | 85.3 | Confident | 163 Ų | 163 | 66.7 Ų | 66.7 | 76% | 0.762 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -68 | 161 | 170.8 | -74.9 | -77.7 | 158.1 | 0 | 0 | 112.3 | R219 K226 | R219-E224 WeakPolarHBondContact CB-O 3.49Å; E224-K226 PolarHBondContact O-N 3.16Å |
| 225 | W | 85.6 | Confident | 85 | Confident | 94 Ų | 94 | 68 Ų | 68 | 36% | 0.356 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 129.4 | 175.3 | -70.3 | 97.3 | 0 | 0 | 0 | 112.1 | R217 R219 E250 Y252 | R217-W225 HydrophobicContact CB-CE3 3.91Å; R217-W225 HydrophobicContact CB-CZ3 4.06Å; R219-W225 HydrophobicContact CB-CD2 4.21Å; R219-W225 HydrophobicContact CB-CE3 3.93Å; R219-W225 HydrophobicContact CB-CZ3 4.26Å; R219-W225 VanDerWaalsContact CD-CE2 3.46Å; R219-W225 HydrophobicContact CG-CD2 4.01Å; R219-W225 HydrophobicContact CG-CE3 3.86Å; R219-W225 HydrophobicContact CG-CH2 3.92Å; R219-W225 HydrophobicContact CG-CZ2 4.15Å; R219-W225 HydrophobicContact CG-CZ3 3.81Å; R219-W225 VanDerWaalsContact CZ-CZ2 3.46Å; R219-W225 VanDerWaalsContact NH1-NE1 3.18Å; W225-E250 HydrophobicContact CH2-CG 3.97Å; W225-Y252 AromaticContact CH2-CD2 3.3Å; W225-Y252 HydrophobicContact CH2-CD2 3.3Å; W225-Y252 AromaticContact CH2-CE2 3.43Å; W225-Y252 HydrophobicContact CH2-CE2 3.43Å; W225-Y252 VanDerWaalsContact CH2-CE2 3.43Å; W225-Y252 HydrophobicContact CH2-CG 4.44Å; W225-Y252 HydrophobicContact CZ2-CD2 4.29Å; W225-Y252 HydrophobicContact CZ2-CE2 4.18Å; W225-Y252 AromaticContact CZ3-CD2 3.81Å; W225-Y252 HydrophobicContact CZ3-CD2 3.81Å; W225-Y252 HydrophobicContact CZ3-CE2 4.34Å |
| 226 | K | 85.6 | Confident | 84.7 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 37% | 0.365 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 160.7 | 170.6 | -61.9 | -70.8 | -174.1 | 175.9 | 0 | 109.9 | Y218 E224 E228 | Y218-K226 HydrophobicContact CD1-CB 4.19Å; Y218-K226 HydrophobicContact CD2-CB 4.39Å; Y218-K226 HydrophobicContact CD2-CG 4.12Å; Y218-K226 HydrophobicContact CE1-CB 3.78Å; Y218-K226 HydrophobicContact CE1-CG 4.4Å; Y218-K226 HydrophobicContact CE2-CB 4.05Å; Y218-K226 HydrophobicContact CE2-CG 3.73Å; Y218-K226 HydrophobicContact CG-CB 4.45Å; Y218-K226 VanDerWaalsContact O-CB 3.32Å; Y218-K226 WeakPolarHBondContact O-CB 3.47Å; Y218-K226 PolarHBondContact O-N 2.78Å; E224-K226 PolarHBondContact O-N 3.16Å; K226-E228 PolarHBondContact O-N 3.42Å |
| 227 | P | 82.4 | Confident | 84.4 | Confident | 105 Ų | 105 | 74.6 Ų | 74.6 | 68% | 0.682 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 137.6 | 177 | -27 | 35.3 | 0 | 0 | 0 | 112.3 | I229 | P227-I229 PolarHBondContact O-N 2.86Š|
| 228 | E | 88 | Confident | 84.3 | Confident | 69 Ų | 69 | 70 Ų | 70 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 123 | 177.9 | -178.6 | 178.6 | 81.9 | 0 | 0 | 110.4 | L215 V216 R217 K226 R230 | L215-E228 HydrophobicContact CB-CG 4.28Å; L215-E228 HydrophobicContact CD2-CG 4.35Å; V216-E228 WeakPolarHBondContact O-CA 3.28Å; R217-E228 HydrophobicContact CG-CB 3.98Å; R217-E228 HydrophobicContact CG-CG 3.87Å; K226-E228 PolarHBondContact O-N 3.42Å; E228-R230 IonicContact OE1-CZ 3.75Å; E228-R230 IonicContact OE1-NE 3.7Å; E228-R230 IonicContact OE1-NH2 3.45Å; E228-R230 PolarHBondContact OE1-NH2 3.17Å |
| 229 | I | 86.9 | Confident | 84.3 | Confident | 52 Ų | 52 | 72 Ų | 72 | 27% | 0.267 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 128.4 | 176.9 | -58.9 | 171.8 | 0 | 0 | 0 | 108.2 | V216 Y218 P227 L231 L240 | V216-I229 HydrophobicContact CB-CB 4.24Å; V216-I229 PolarHBondContact N-O 2.86Å; V216-I229 PolarHBondContact O-N 2.78Å; Y218-I229 HydrophobicContact CD1-CD1 4.34Å; Y218-I229 HydrophobicContact CE1-CD1 3.71Å; Y218-I229 HydrophobicContact CE1-CG1 4.41Å; P227-I229 PolarHBondContact O-N 2.86Å; I229-L231 HydrophobicContact CG2-CD2 3.89Å; I229-L231 HydrophobicContact CG2-CG 4.24Å; I229-L240 HydrophobicContact CD1-CD2 3.91Å |
| 230 | R | 86.3 | Confident | 84.3 | Confident | 148 Ų | 148 | 68.5 Ų | 68.5 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 114 | 174.7 | -60.1 | -171.4 | 179.4 | -107.7 | -15 | 109.7 | H213 Y214 L215 E228 | H213-R230 PolarHBondContact NE2-NH1 2.84Å; Y214-R230 WeakPolarHBondContact O-CA 3.47Å; L215-R230 HydrophobicContact CD2-CG 3.8Å; E228-R230 IonicContact OE1-CZ 3.75Å; E228-R230 IonicContact OE1-NE 3.7Å; E228-R230 IonicContact OE1-NH2 3.45Å; E228-R230 PolarHBondContact OE1-NH2 3.17Å |
| 231 | L | 85.7 | Confident | 84.2 | Confident | 21 Ų | 21 | 75 Ų | 75 | 11% | 0.11 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 139 | 177.9 | -58.4 | 169.5 | 0 | 0 | 0 | 110.2 | L201 H213 Y214 V216 I229 V238 | L201-L231 HydrophobicContact CD1-CD1 4.22Å; L201-L231 HydrophobicContact CD2-CD1 4Å; H213-L231 CarbonylContact C-O 3.54Å; H213-L231 WeakPolarHBondContact CA-O 3.49Å; H213-L231 WeakPolarHBondContact CB-O 3.42Å; Y214-L231 PolarHBondContact N-O 3.05Å; Y214-L231 PolarHBondContact O-N 2.56Å; V216-L231 HydrophobicContact CG2-CD1 3.47Å; V216-L231 VanDerWaalsContact CG2-CD1 3.47Å; V216-L231 HydrophobicContact CG2-CG 4.16Å; I229-L231 HydrophobicContact CG2-CD2 3.89Å; I229-L231 HydrophobicContact CG2-CG 4.24Å; L231-V238 HydrophobicContact CD1-CB 3.68Å; L231-V238 HydrophobicContact CD1-CG1 4.46Å; L231-V238 HydrophobicContact CD1-CG2 4.01Å; L231-V238 HydrophobicContact CD2-CB 4.47Å; L231-V238 HydrophobicContact CD2-CG2 4.15Å |
| 232 | P | 85.6 | Confident | 84.3 | Confident | 86 Ų | 86 | 75.7 Ų | 75.7 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 153.4 | 168.8 | -22.5 | 32.3 | 0 | 0 | 0 | 112 | G234 S235 | P232-G234 PolarHBondContact O-N 2.89Å; P232-G234 VanDerWaalsContact O-N 3.15Å; P232-S235 WeakPolarHBondContact O-CB 3.42Å; P232-S235 PolarHBondContact O-N 2.95Å; P232-S235 PolarHBondContact O-OG 3.12Å |
| 233 | S | 77.2 | Confident | 84.9 | Confident | 51 Ų | 51 | 70.9 Ų | 70.9 | 36% | 0.357 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.9 | 177.8 | 58 | 0 | 0 | 0 | 0 | 114.6 | K203 I211 R212 S235 | K203-S233 WeakPolarHBondContact CE-O 3.28Å; I211-S233 WeakPolarHBondContact O-CB 3.4Å; R212-S233 WeakPolarHBondContact O-CB 3.29Å; R212-S233 PolarHBondContact O-N 2.96Å; S233-S235 VanDerWaalsContact C-N 3.27Å; S233-S235 PolarHBondContact O-N 3.15Å |
| 234 | G | 75.8 | Confident | 84.9 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 63% | 0.629 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -15.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | P232 | P232-G234 PolarHBondContact O-N 2.89Å; P232-G234 VanDerWaalsContact O-N 3.15Å |
| 235 | S | 81.7 | Confident | 84.9 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 19% | 0.189 | 36% | 0.363 | C | S | . | . | trans | -63.4 | 136.9 | -177.3 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | K203 P232 S233 | K203-S235 PolarHBondContact NZ-O 3.15Å; P232-S235 WeakPolarHBondContact O-CB 3.42Å; P232-S235 PolarHBondContact O-N 2.95Å; P232-S235 PolarHBondContact O-OG 3.12Å; S233-S235 VanDerWaalsContact C-N 3.27Å; S233-S235 PolarHBondContact O-N 3.15Å | ||
| 236 | D | 83.8 | Confident | 84.8 | Confident | 86 Ų | 86 | 67.8 Ų | 67.8 | 46% | 0.46 | 37% | 0.369 | S | S | . | . | trans | -111.6 | -15.4 | 178 | 52.8 | -0.7 | 0 | 0 | 0 | 112 | L201 | L201-D236 PolarHBondContact N-O 2.95Š| ||
| 237 | H | 86 | Confident | 84.7 | Confident | 56 Ų | 56 | 64.5 Ų | 64.5 | 26% | 0.259 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 163.9 | 174.8 | 66.4 | -80.8 | 0 | 0 | 0 | 112 | K198 V199 N200 | K198-H237 VanDerWaalsContact CE-CG 3.49Å; K198-H237 HydrophobicContact CG-CB 3.97Å; V199-H237 CarbonylContact O-C 3.59Å; V199-H237 VanDerWaalsContact O-CA 3.25Å; V199-H237 WeakPolarHBondContact O-CA 3.34Å; N200-H237 WeakPolarHBondContact OD1-CB 3.3Å |
| 238 | V | 88 | Confident | 84.9 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 128.4 | 167.6 | 62.5 | 0 | 0 | 0 | 0 | 109.6 | V199 L201 V216 L231 L240 | V199-V238 HydrophobicContact CB-CG1 3.71Å; V199-V238 HydrophobicContact CG1-CG1 4.39Å; V199-V238 HydrophobicContact CG2-CG1 4.44Å; V199-V238 PolarHBondContact N-O 3Å; V199-V238 PolarHBondContact O-N 3.42Å; L201-V238 HydrophobicContact CD1-CB 4.11Å; L201-V238 HydrophobicContact CD1-CG1 3.87Å; V216-V238 HydrophobicContact CG1-CG1 4.29Å; V216-V238 HydrophobicContact CG2-CG1 4.38Å; L231-V238 HydrophobicContact CD1-CB 3.68Å; L231-V238 HydrophobicContact CD1-CG1 4.46Å; L231-V238 HydrophobicContact CD1-CG2 4.01Å; L231-V238 HydrophobicContact CD2-CB 4.47Å; L231-V238 HydrophobicContact CD2-CG2 4.15Å; V238-L240 HydrophobicContact CG2-CD2 4.06Å |
| 239 | M | 88.8 | Confident | 84.9 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 107.8 | 177 | -168.5 | 66.8 | 70.4 | 0 | 0 | 109.1 | K198 K241 | K198-M239 HydrophobicContact CB-CE 3.75Å; K198-M239 HydrophobicContact CB-SD 3.97Å; K198-M239 HydrophobicContact CD-CE 4.11Å; K198-M239 HydrophobicContact CG-CE 3.93Å; M239-K241 HydrophobicContact CG-CD 4.22Å; M239-K241 HydrophobicContact CG-CG 3.75Å |
| 240 | L | 87.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 113.8 | 173 | -56.9 | -180 | 0 | 0 | 0 | 107.9 | S196 I197 V199 Y218 I229 V238 L243 V251 | S196-L240 CarbonylContact C-O 3.56Å; S196-L240 WeakPolarHBondContact CA-O 3.34Å; S196-L240 WeakPolarHBondContact CB-O 3.34Å; I197-L240 HydrophobicContact CG2-CB 3.87Å; I197-L240 HydrophobicContact CG2-CD1 4.14Å; I197-L240 HydrophobicContact CG2-CG 4.33Å; I197-L240 PolarHBondContact N-O 3Å; I197-L240 PolarHBondContact O-N 2.85Å; V199-L240 HydrophobicContact CG2-CD1 4.32Å; Y218-L240 HydrophobicContact CD1-CD1 4.37Å; Y218-L240 HydrophobicContact CD1-CD2 3.78Å; Y218-L240 HydrophobicContact CD2-CD1 4.08Å; Y218-L240 HydrophobicContact CD2-CD2 4.45Å; Y218-L240 HydrophobicContact CE1-CD2 3.81Å; Y218-L240 HydrophobicContact CE2-CD2 4.44Å; Y218-L240 HydrophobicContact CG-CD1 3.91Å; Y218-L240 HydrophobicContact CG-CD2 4.13Å; I229-L240 HydrophobicContact CD1-CD2 3.91Å; V238-L240 HydrophobicContact CG2-CD2 4.06Å; L240-L243 HydrophobicContact CB-CD1 4.23Å; L240-L243 HydrophobicContact CB-CD2 4.26Å; L240-V251 HydrophobicContact CD1-CG2 3.89Å |
| 241 | K | 86.3 | Confident | 85.4 | Confident | 138 Ų | 138 | 52 Ų | 52 | 60% | 0.6 | 29% | 0.294 | S | S | * | . | trans | -111.3 | 164 | -176.6 | -59.7 | -172.4 | 179.3 | -174.4 | 0 | 111.4 | M239 L243 | M239-K241 HydrophobicContact CG-CD 4.22Å; M239-K241 HydrophobicContact CG-CG 3.75Å; K241-L243 VanDerWaalsContact C-N 3.27Å; K241-L243 PolarHBondContact O-N 3Å | ||
| 242 | S | 83.8 | Confident | 85.7 | Confident | 107 Ų | 107 | 53.8 Ų | 53.8 | 75% | 0.748 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 57.1 | 42 | 174.5 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | N195 | N195-S242 PolarHBondContact O-N 3.2Š|
| 243 | L | 87.4 | Confident | 86 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -78 | 153.5 | 175.8 | -57.6 | 175 | 0 | 0 | 0 | 110.2 | N195 I197 Y218 L240 K241 Y249 F269 T271 | N195-L243 WeakPolarHBondContact O-CB 3.48Å; N195-L243 PolarHBondContact O-N 2.73Å; I197-L243 HydrophobicContact CG2-CD1 3.93Å; Y218-L243 HydrophobicContact CD2-CD2 4.13Å; Y218-L243 HydrophobicContact CE2-CD2 3.75Å; L240-L243 HydrophobicContact CB-CD1 4.23Å; L240-L243 HydrophobicContact CB-CD2 4.26Å; K241-L243 VanDerWaalsContact C-N 3.27Å; K241-L243 PolarHBondContact O-N 3Å; L243-Y249 HydrophobicContact CB-CE2 3.95Å; L243-Y249 HydrophobicContact CD2-CD1 4.15Å; L243-Y249 HydrophobicContact CD2-CE1 3.71Å; L243-Y249 HydrophobicContact CD2-CE2 4.41Å; L243-F269 HydrophobicContact CD1-CE2 3.62Å; L243-F269 HydrophobicContact CD1-CZ 3.58Å; L243-T271 HydrophobicContact CB-CG2 3.75Å; L243-T271 HydrophobicContact CD1-CG2 3.95Å |
| 244 | D | 84.9 | Confident | 86.6 | Confident | 81 Ų | 81 | 47.9 Ų | 47.9 | 43% | 0.433 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 138.7 | 174.7 | -60.5 | -52.6 | 0 | 0 | 0 | 110 | A247 Y249 T271 | D244-A247 HydrophobicContact CB-CB 3.89Å; D244-Y249 HydrophobicContact CB-CE2 4.37Å; D244-Y249 PolarHBondContact N-OH 2.69Å; D244-Y249 PolarHBondContact OD2-OH 2.65Å; D244-T271 WeakPolarHBondContact O-CB 3.48Å; D244-T271 PolarHBondContact O-OG1 2.85Å |
| 245 | W | 84.6 | Confident | 87.2 | Confident | 74 Ų | 74 | 45 Ų | 45 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | 146.7 | 178.9 | -59.6 | 97 | 0 | 0 | 0 | 111.7 | D193 N195 A247 Q274 P275 | D193-W245 WeakPolarHBondContact O-CH2 3.36Å; D193-W245 VanDerWaalsContact O-CZ3 3.28Å; D193-W245 WeakPolarHBondContact O-CZ3 3.38Å; N195-W245 HydrophobicContact CB-CD2 3.95Å; N195-W245 HydrophobicContact CB-CE3 3.91Å; N195-W245 HydrophobicContact CB-CH2 3.77Å; N195-W245 HydrophobicContact CB-CZ2 3.77Å; N195-W245 HydrophobicContact CB-CZ3 3.81Å; W245-A247 PolarHBondContact O-N 2.94Å; W245-A247 VanDerWaalsContact O-N 3.09Å; W245-Q274 HydrophobicContact CB-CB 3.83Å; W245-Q274 HydrophobicContact CD2-CB 3.86Å; W245-Q274 HydrophobicContact CD2-CG 4.03Å; W245-Q274 HydrophobicContact CE3-CB 4.36Å; W245-Q274 HydrophobicContact CG-CB 3.62Å; W245-Q274 HydrophobicContact CG-CG 3.95Å; W245-P275 HydrophobicContact CH2-CG 3.81Å; W245-P275 HydrophobicContact CZ3-CG 4.08Å |
| 246 | N | 83.4 | Confident | 87.4 | Confident | 88 Ų | 88 | 46 Ų | 46 | 47% | 0.471 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 31.7 | 178.6 | -166.8 | 32.3 | 0 | 0 | 0 | 113.9 | R270 T271 S272 | N246-R270 PolarHBondContact OD1-NE 2.86Å; N246-R270 VanDerWaalsContact OD1-NE 3.12Å; N246-R270 PolarHBondContact OD1-NH2 2.9Å; N246-T271 PolarHBondContact N-OG1 2.78Å; N246-S272 PolarHBondContact N-O 3.34Å |
| 247 | A | 85.3 | Confident | 87.5 | Confident | 15 Ų | 15 | 42 Ų | 42 | 12% | 0.124 | 21% | 0.211 | C | C | . | . | trans | -112.4 | 144.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | D244 W245 Y249 R270 T271 | D244-A247 HydrophobicContact CB-CB 3.89Å; W245-A247 PolarHBondContact O-N 2.94Å; W245-A247 VanDerWaalsContact O-N 3.09Å; A247-Y249 HydrophobicContact CB-CD2 4.23Å; A247-Y249 HydrophobicContact CB-CE2 3.74Å; A247-R270 WeakPolarHBondContact O-CA 3.06Å; A247-T271 PolarHBondContact N-OG1 3.12Å; A247-T271 PolarHBondContact O-N 3.06Å; A247-T271 PolarHBondContact O-OG1 2.91Å | ||
| 248 | E | 86.7 | Confident | 87.4 | Confident | 92 Ų | 92 | 45.3 Ų | 45.3 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 128.9 | 176.7 | -161.7 | 169.9 | -115.5 | 0 | 0 | 109.1 | A220 L221 V268 F269 | A220-E248 CarbonylContact C-O 3.58Å; A220-E248 VanDerWaalsContact CA-O 3.31Å; A220-E248 WeakPolarHBondContact CA-O 3.5Å; L221-E248 HydrophobicContact CD1-CB 3.57Å; L221-E248 HydrophobicContact CD1-CG 3.39Å; L221-E248 WeakPolarHBondContact CD1-OE2 3.27Å; L221-E248 PolarHBondContact N-O 3.05Å; E248-V268 HydrophobicContact CG-CG1 3.89Å; E248-F269 WeakPolarHBondContact CA-O 3.25Å |
| 249 | Y | 88.1 | Confident | 87 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.8 | -174.8 | -83.5 | -95.4 | 0 | 0 | 0 | 110.2 | Y218 R219 A220 L243 D244 A247 V268 F269 T271 | Y218-Y249 HydrophobicContact CD2-CD1 4.15Å; Y218-Y249 HydrophobicContact CD2-CE1 4.24Å; R219-Y249 CarbonylContact O-C 3.56Å; R219-Y249 VanDerWaalsContact O-CA 3.27Å; R219-Y249 WeakPolarHBondContact O-CA 3.31Å; R219-Y249 WeakPolarHBondContact O-CD1 3.3Å; A220-Y249 HydrophobicContact CB-CD1 4.28Å; A220-Y249 HydrophobicContact CB-CE1 3.91Å; A220-Y249 HydrophobicContact CB-CE2 4.15Å; L243-Y249 HydrophobicContact CB-CE2 3.95Å; L243-Y249 HydrophobicContact CD2-CD1 4.15Å; L243-Y249 HydrophobicContact CD2-CE1 3.71Å; L243-Y249 HydrophobicContact CD2-CE2 4.41Å; D244-Y249 HydrophobicContact CB-CE2 4.37Å; D244-Y249 PolarHBondContact N-OH 2.69Å; D244-Y249 PolarHBondContact OD2-OH 2.65Å; A247-Y249 HydrophobicContact CB-CD2 4.23Å; A247-Y249 HydrophobicContact CB-CE2 3.74Å; Y249-V268 WeakPolarHBondContact O-CA 3.28Å; Y249-F269 VanDerWaalsContact CB-CE1 3.47Å; Y249-F269 HydrophobicContact CD2-CE2 4.38Å; Y249-F269 HydrophobicContact CD2-CZ 4.37Å; Y249-F269 HydrophobicContact CG-CE1 4.43Å; Y249-F269 HydrophobicContact CG-CE2 4.33Å; Y249-F269 AromaticContact CG-CZ 3.89Å; Y249-F269 HydrophobicContact CG-CZ 3.89Å; Y249-F269 PolarHBondContact N-O 3.21Å; Y249-F269 PolarHBondContact O-N 3.31Å; Y249-T271 HydrophobicContact CD2-CG2 4.05Å; Y249-T271 HydrophobicContact CE2-CG2 4.16Å |
| 250 | E | 91.4 | Very high | 86.8 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 139.7 | 167.6 | 66.2 | 179.2 | 155.2 | 0 | 0 | 110.5 | Y218 R219 W225 Y252 H266 F267 V268 | Y218-E250 VanDerWaalsContact CA-O 3.22Å; Y218-E250 WeakPolarHBondContact CA-O 3.38Å; R219-E250 HydrophobicContact CG-CG 3.83Å; R219-E250 IonicContact CZ-OE1 3.09Å; R219-E250 PolarHBondContact N-O 2.86Å; R219-E250 IonicContact NE-OE1 2.65Å; R219-E250 PolarHBondContact NE-OE1 3.04Å; R219-E250 IonicContact NH2-OE1 2.69Å; R219-E250 PolarHBondContact NH2-OE1 2.82Å; R219-E250 PolarHBondContact O-N 3.41Å; W225-E250 HydrophobicContact CH2-CG 3.97Å; E250-Y252 HydrophobicContact CB-CE2 4.39Å; E250-Y252 HydrophobicContact CG-CE2 4.08Å; E250-Y252 VanDerWaalsContact OE2-CE2 3.28Å; E250-Y252 WeakPolarHBondContact OE2-CE2 3.23Å; E250-Y252 PolarHBondContact OE2-OH 2.87Å; E250-H266 IonicContact OE2-NE2 3.55Å; E250-F267 WeakPolarHBondContact CA-O 3.2Å; E250-V268 HydrophobicContact CB-CG2 4.22Å |
| 251 | V | 92 | Very high | 86.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.1 | -178.3 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | V216 R217 L240 V253 H266 F267 F269 | V216-V251 HydrophobicContact CG1-CG1 3.9Å; R217-V251 CarbonylContact O-C 3.57Å; R217-V251 WeakPolarHBondContact O-CA 3.41Å; L240-V251 HydrophobicContact CD1-CG2 3.89Å; V251-V253 HydrophobicContact CG1-CG2 4.06Å; V251-H266 WeakPolarHBondContact O-CA 3.39Å; V251-F267 PolarHBondContact N-O 3.16Å; V251-F267 PolarHBondContact O-N 3.28Å; V251-F269 HydrophobicContact CG2-CD1 4.17Å; V251-F269 HydrophobicContact CG2-CE1 3.56Å |
| 252 | Y | 91.2 | Very high | 86.9 | Confident | 60 Ų | 60 | 45.5 Ų | 45.5 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.4 | 171 | -70.3 | -95.4 | 0 | 0 | 0 | 110 | V216 R217 W225 E250 A264 A265 H266 | V216-Y252 WeakPolarHBondContact CA-O 3.32Å; R217-Y252 PolarHBondContact N-O 2.91Å; R217-Y252 PolarHBondContact O-N 2.81Å; W225-Y252 AromaticContact CH2-CD2 3.3Å; W225-Y252 HydrophobicContact CH2-CD2 3.3Å; W225-Y252 AromaticContact CH2-CE2 3.43Å; W225-Y252 HydrophobicContact CH2-CE2 3.43Å; W225-Y252 VanDerWaalsContact CH2-CE2 3.43Å; W225-Y252 HydrophobicContact CH2-CG 4.44Å; W225-Y252 HydrophobicContact CZ2-CD2 4.29Å; W225-Y252 HydrophobicContact CZ2-CE2 4.18Å; W225-Y252 AromaticContact CZ3-CD2 3.81Å; W225-Y252 HydrophobicContact CZ3-CD2 3.81Å; W225-Y252 HydrophobicContact CZ3-CE2 4.34Å; E250-Y252 HydrophobicContact CB-CE2 4.39Å; E250-Y252 HydrophobicContact CG-CE2 4.08Å; E250-Y252 VanDerWaalsContact OE2-CE2 3.28Å; E250-Y252 WeakPolarHBondContact OE2-CE2 3.23Å; E250-Y252 PolarHBondContact OE2-OH 2.87Å; Y252-A264 HydrophobicContact CD1-CB 3.72Å; Y252-A265 WeakPolarHBondContact CA-O 3.48Å; Y252-H266 HydrophobicContact CD1-CB 4.37Å; Y252-H266 HydrophobicContact CE1-CB 4.02Å; Y252-H266 AromaticContact CE1-CD2 3.76Å; Y252-H266 AromaticContact CE2-CD2 3.63Å; Y252-H266 AromaticContact CZ-CD2 3.34Å; Y252-H266 AromaticContact CZ-NE2 3.93Å; Y252-H266 PolarHBondContact OH-CD2 2.88Å |
| 253 | V | 92.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 129.1 | 174.5 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | P184 L186 L201 Y214 L215 V216 V251 A265 | P184-V253 HydrophobicContact CG-CB 4.07Å; P184-V253 HydrophobicContact CG-CG1 3.69Å; L186-V253 HydrophobicContact CD1-CB 3.95Å; L186-V253 HydrophobicContact CD1-CG2 3.61Å; L186-V253 HydrophobicContact CD2-CB 3.76Å; L186-V253 HydrophobicContact CD2-CG1 4.27Å; L186-V253 HydrophobicContact CD2-CG2 3.5Å; L186-V253 HydrophobicContact CG-CB 4.36Å; L186-V253 HydrophobicContact CG-CG2 4.18Å; L201-V253 HydrophobicContact CD2-CG1 3.66Å; L201-V253 HydrophobicContact CG-CG1 4.28Å; Y214-V253 HydrophobicContact CD1-CG1 4.17Å; L215-V253 WeakPolarHBondContact O-CA 3.29Å; V216-V253 HydrophobicContact CB-CG2 4.45Å; V216-V253 HydrophobicContact CG1-CG2 4.15Å; V216-V253 HydrophobicContact CG2-CG1 4.16Å; V216-V253 HydrophobicContact CG2-CG2 3.94Å; V251-V253 HydrophobicContact CG1-CG2 4.06Å; V253-A265 HydrophobicContact CB-CB 4.46Å; V253-A265 PolarHBondContact N-O 3.09Å; V253-A265 WeakPolarHBondContact O-CB 3.39Å; V253-A265 PolarHBondContact O-N 2.86Å |
| 254 | V | 90 | Very high | 87.1 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.9 | 178.5 | 176.5 | 0 | 0 | 0 | 0 | 108.5 | Y214 L215 K261 A264 | Y214-V254 CarbonylContact C-O 3.57Å; Y214-V254 VanDerWaalsContact CA-O 3.31Å; Y214-V254 WeakPolarHBondContact CA-O 3.49Å; L215-V254 HydrophobicContact CB-CB 4.34Å; L215-V254 PolarHBondContact N-O 2.99Å; L215-V254 PolarHBondContact O-N 3.49Å; V254-K261 HydrophobicContact CG1-CB 3.75Å; V254-K261 HydrophobicContact CG1-CD 4.37Å; V254-K261 HydrophobicContact CG1-CG 4.23Å; V254-A264 HydrophobicContact CG2-CB 3.68Å |
| 255 | A | 87.5 | Confident | 87.2 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 137.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P181 I211 Y214 K261 S262 | P181-A255 HydrophobicContact CB-CB 4.18Å; P181-A255 HydrophobicContact CG-CB 3.97Å; P181-A255 WeakPolarHBondContact CG-O 3.25Å; I211-A255 HydrophobicContact CD1-CB 4Å; I211-A255 HydrophobicContact CG1-CB 4.36Å; I211-A255 HydrophobicContact CG2-CB 4.16Å; Y214-A255 HydrophobicContact CD1-CB 3.84Å; Y214-A255 HydrophobicContact CE1-CB 3.61Å; A255-K261 CarbonylContact O-C 3.58Å; A255-K261 WeakPolarHBondContact O-CA 3.45Å; A255-S262 PolarHBondContact N-OG 3.3Å; A255-S262 PolarHBondContact O-N 3.44Å |
| 256 | E | 86.9 | Confident | 87.5 | Confident | 47 Ų | 47 | 48.8 Ų | 48.8 | 22% | 0.22 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.3 | 176.3 | -171.6 | 172.8 | 148.4 | 0 | 0 | 110.2 | R212 H213 K261 | R212-E256 PolarHBondContact N-O 2.83Å; H213-E256 VanDerWaalsContact CE1-CD 3.47Å; H213-E256 IonicContact CE1-OE1 2.65Å; H213-E256 IonicContact CE1-OE2 3.18Å; H213-E256 IonicContact NE2-OE1 2.83Å; H213-E256 IonicContact NE2-OE2 3.54Å; H213-E256 PolarHBondContact NE2-OE2 2.81Å; H213-E256 PolarHBondContact O-N 2.91Å; E256-K261 HydrophobicContact CB-CG 4.42Å; E256-K261 HydrophobicContact CG-CG 4.08Å; E256-K261 WeakPolarHBondContact OE2-CE 3.28Å; E256-K261 IonicContact OE2-NZ 3.83Å |
| 257 | N | 86.3 | Confident | 87.7 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | trans | -112 | -172.2 | 171.9 | 77.3 | 3.5 | 0 | 0 | 0 | 110.3 | R179 P181 D206 Q259 G260 | R179-N257 PolarHBondContact O-ND2 3.06Å; P181-N257 VanDerWaalsContact CD-CG 3.49Å; P181-N257 HydrophobicContact CG-CB 4.08Å; D206-N257 PolarHBondContact O-ND2 2.95Å; N257-Q259 PolarHBondContact O-N 3.03Å; N257-Q259 WeakPolarHBondContact OD1-CA 3.4Å; N257-Q259 WeakPolarHBondContact OD1-CB 3.48Å; N257-Q259 PolarHBondContact OD1-N 3.15Å; N257-G260 PolarHBondContact N-O 3.05Å; N257-G260 PolarHBondContact OD1-N 2.98Å; N257-G260 PolarHBondContact OD1-O 2.58Å | ||
| 258 | Q | 82.9 | Confident | 87.9 | Confident | 124 Ų | 124 | 49.1 Ų | 49.1 | 58% | 0.579 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -63.9 | -24.2 | 179.7 | -178.3 | 167.9 | -17.3 | 0 | 0 | 113.9 | ||
| 259 | Q | 78.8 | Confident | 88 | Confident | 93 Ų | 93 | 45.5 Ų | 45.5 | 44% | 0.435 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -92.5 | -28.6 | -173.9 | -54.8 | -57 | 92.7 | 0 | 0 | 112.4 | A178 N257 | A178-Q259 HydrophobicContact CB-CG 3.59Å; A178-Q259 WeakPolarHBondContact O-CG 3.22Å; A178-Q259 PolarHBondContact O-NE2 2.92Å; N257-Q259 PolarHBondContact O-N 3.03Å; N257-Q259 WeakPolarHBondContact OD1-CA 3.4Å; N257-Q259 WeakPolarHBondContact OD1-CB 3.48Å; N257-Q259 PolarHBondContact OD1-N 3.15Å |
| 260 | G | 84.9 | Confident | 87.9 | Confident | 19 Ų | 19 | 52 Ų | 52 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | trans | 162.7 | -159.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N257 | N257-G260 PolarHBondContact N-O 3.05Å; N257-G260 PolarHBondContact OD1-N 2.98Å; N257-G260 PolarHBondContact OD1-O 2.58Å | ||
| 261 | K | 88.1 | Confident | 87.5 | Confident | 104 Ų | 104 | 51.5 Ų | 51.5 | 45% | 0.452 | 25% | 0.249 | S | C | . | . | B | Isolated β-bridge | trans | -102.8 | 139 | -176 | -67.6 | -174 | -176.3 | -165.6 | 0 | 110.2 | L215 V254 A255 E256 | L215-K261 HydrophobicContact CD1-CD 4.32Å; V254-K261 HydrophobicContact CG1-CB 3.75Å; V254-K261 HydrophobicContact CG1-CD 4.37Å; V254-K261 HydrophobicContact CG1-CG 4.23Å; A255-K261 CarbonylContact O-C 3.58Å; A255-K261 WeakPolarHBondContact O-CA 3.45Å; E256-K261 HydrophobicContact CB-CG 4.42Å; E256-K261 HydrophobicContact CG-CG 4.08Å; E256-K261 WeakPolarHBondContact OE2-CE 3.28Å; E256-K261 IonicContact OE2-NZ 3.83Å |
| 262 | S | 88.6 | Confident | 87.1 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 167.5 | 171.7 | 73.2 | 0 | 0 | 0 | 0 | 111.6 | P181 A255 | P181-S262 VanDerWaalsContact O-CA 3.22Å; P181-S262 WeakPolarHBondContact O-CA 3.44Å; P181-S262 WeakPolarHBondContact O-CB 3.45Å; A255-S262 PolarHBondContact N-OG 3.3Å; A255-S262 PolarHBondContact O-N 3.44Å |
| 263 | K | 87.8 | Confident | 86.5 | Confident | 179 Ų | 179 | 54.8 Ų | 54.8 | 78% | 0.778 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -56 | 149.1 | 157.1 | -67.9 | 179.7 | -178.1 | 177.2 | 0 | 109.6 | A183 A265 | A183-K263 HydrophobicContact CB-CB 4.1Å; A183-K263 WeakPolarHBondContact CB-O 3.38Å; K263-A265 PolarHBondContact O-N 2.82Å |
| 264 | A | 87.4 | Confident | 85.8 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 123.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y252 V254 | Y252-A264 HydrophobicContact CD1-CB 3.72Å; V254-A264 HydrophobicContact CG2-CB 3.68Å |
| 265 | A | 87.4 | Confident | 84.8 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 8% | 0.083 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 135.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | A183 P184 L186 Y252 V253 K263 | A183-A265 HydrophobicContact CB-CB 4.47Å; P184-A265 HydrophobicContact CG-CB 3.92Å; P184-A265 WeakPolarHBondContact O-CB 3.01Å; L186-A265 HydrophobicContact CD1-CB 3.69Å; L186-A265 HydrophobicContact CG-CB 3.76Å; Y252-A265 WeakPolarHBondContact CA-O 3.48Å; V253-A265 HydrophobicContact CB-CB 4.46Å; V253-A265 PolarHBondContact N-O 3.09Å; V253-A265 WeakPolarHBondContact O-CB 3.39Å; V253-A265 PolarHBondContact O-N 2.86Å; K263-A265 PolarHBondContact O-N 2.82Å |
| 266 | H | 90 | Very high | 83.4 | Confident | 100 Ų | 100 | 70.8 Ų | 70.8 | 46% | 0.463 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.1 | -174 | 177.1 | -128 | 0 | 0 | 0 | 110.2 | E250 V251 Y252 V268 | E250-H266 IonicContact OE2-NE2 3.55Å; V251-H266 WeakPolarHBondContact O-CA 3.39Å; Y252-H266 HydrophobicContact CD1-CB 4.37Å; Y252-H266 HydrophobicContact CE1-CB 4.02Å; Y252-H266 AromaticContact CE1-CD2 3.76Å; Y252-H266 AromaticContact CE2-CD2 3.63Å; Y252-H266 AromaticContact CZ-CD2 3.34Å; Y252-H266 AromaticContact CZ-NE2 3.93Å; Y252-H266 PolarHBondContact OH-CD2 2.88Å; H266-V268 WeakPolarHBondContact CE1-CG2 3.35Å; H266-V268 VanDerWaalsContact NE2-CG2 3.29Å; H266-V268 WeakPolarHBondContact NE2-CG2 3.46Å |
| 267 | F | 89.1 | Confident | 81.3 | Confident | 46 Ų | 46 | 72.8 Ų | 72.8 | 20% | 0.202 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 135.8 | 177.5 | -179.5 | -104.8 | 0 | 0 | 0 | 110 | L186 I197 E250 V251 F269 | L186-F267 HydrophobicContact CB-CB 3.85Å; L186-F267 HydrophobicContact CB-CG 4.33Å; L186-F267 HydrophobicContact CD1-CB 3.82Å; I197-F267 HydrophobicContact CD1-CE1 3.84Å; E250-F267 WeakPolarHBondContact CA-O 3.2Å; V251-F267 PolarHBondContact N-O 3.16Å; V251-F267 PolarHBondContact O-N 3.28Å; F267-F269 AromaticContact CD1-CD1 3.95Å; F267-F269 HydrophobicContact CD1-CD1 3.95Å; F267-F269 HydrophobicContact CE1-CB 3.74Å; F267-F269 AromaticContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CG 4.08Å; F267-F269 HydrophobicContact CZ-CB 4.17Å |
| 268 | V | 89.1 | Confident | 79.4 | Confident | 64 Ų | 64 | 79.9 Ų | 79.9 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.9 | -179.9 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | E248 Y249 E250 H266 | E248-V268 HydrophobicContact CG-CG1 3.89Å; Y249-V268 WeakPolarHBondContact O-CA 3.28Å; E250-V268 HydrophobicContact CB-CG2 4.22Å; H266-V268 WeakPolarHBondContact CE1-CG2 3.35Å; H266-V268 VanDerWaalsContact NE2-CG2 3.29Å; H266-V268 WeakPolarHBondContact NE2-CG2 3.46Å |
| 269 | F | 87.3 | Confident | 77.3 | Confident | 17 Ų | 17 | 78.7 Ų | 78.7 | 8% | 0.075 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 164.7 | 176.9 | 69.2 | -83.2 | 0 | 0 | 0 | 110.8 | M190 I197 L243 E248 Y249 V251 F267 T271 | M190-F269 HydrophobicContact SD-CD2 4.05Å; I197-F269 HydrophobicContact CB-CD2 4.42Å; I197-F269 HydrophobicContact CB-CE2 4.05Å; I197-F269 HydrophobicContact CB-CZ 4.29Å; I197-F269 HydrophobicContact CD1-CB 3.86Å; I197-F269 HydrophobicContact CD1-CD1 3.73Å; I197-F269 HydrophobicContact CD1-CD2 3.51Å; I197-F269 HydrophobicContact CD1-CE1 4.13Å; I197-F269 HydrophobicContact CD1-CE2 3.94Å; I197-F269 HydrophobicContact CD1-CG 3.4Å; I197-F269 VanDerWaalsContact CD1-CG 3.4Å; I197-F269 HydrophobicContact CD1-CZ 4.24Å; I197-F269 HydrophobicContact CG2-CD2 4.35Å; I197-F269 HydrophobicContact CG2-CE1 3.89Å; I197-F269 HydrophobicContact CG2-CE2 3.65Å; I197-F269 HydrophobicContact CG2-CZ 3.4Å; L243-F269 HydrophobicContact CD1-CE2 3.62Å; L243-F269 HydrophobicContact CD1-CZ 3.58Å; E248-F269 WeakPolarHBondContact CA-O 3.25Å; Y249-F269 VanDerWaalsContact CB-CE1 3.47Å; Y249-F269 HydrophobicContact CD2-CE2 4.38Å; Y249-F269 HydrophobicContact CD2-CZ 4.37Å; Y249-F269 HydrophobicContact CG-CE1 4.43Å; Y249-F269 HydrophobicContact CG-CE2 4.33Å; Y249-F269 AromaticContact CG-CZ 3.89Å; Y249-F269 HydrophobicContact CG-CZ 3.89Å; Y249-F269 PolarHBondContact N-O 3.21Å; Y249-F269 PolarHBondContact O-N 3.31Å; V251-F269 HydrophobicContact CG2-CD1 4.17Å; V251-F269 HydrophobicContact CG2-CE1 3.56Å; F267-F269 AromaticContact CD1-CD1 3.95Å; F267-F269 HydrophobicContact CD1-CD1 3.95Å; F267-F269 HydrophobicContact CE1-CB 3.74Å; F267-F269 AromaticContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CG 4.08Å; F267-F269 HydrophobicContact CZ-CB 4.17Å; F269-T271 HydrophobicContact CE2-CG2 3.92Å |
| 270 | R | 86.1 | Confident | 75.4 | Confident | 139 Ų | 139 | 79.4 Ų | 79.4 | 53% | 0.525 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.3 | 176.2 | -169.5 | -176.1 | -177.6 | 117.4 | 1 | 109.7 | N246 A247 | N246-R270 PolarHBondContact OD1-NE 2.86Å; N246-R270 VanDerWaalsContact OD1-NE 3.12Å; N246-R270 PolarHBondContact OD1-NH2 2.9Å; A247-R270 WeakPolarHBondContact O-CA 3.06Å |
| 271 | T | 84.8 | Confident | 73.3 | Confident | 5 Ų | 5 | 84.3 Ų | 84.3 | 3% | 0.031 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 156.2 | 175.1 | 55 | 0 | 0 | 0 | 0 | 111.5 | L243 D244 N246 A247 Y249 F269 | L243-T271 HydrophobicContact CB-CG2 3.75Å; L243-T271 HydrophobicContact CD1-CG2 3.95Å; D244-T271 WeakPolarHBondContact O-CB 3.48Å; D244-T271 PolarHBondContact O-OG1 2.85Å; N246-T271 PolarHBondContact N-OG1 2.78Å; A247-T271 PolarHBondContact N-OG1 3.12Å; A247-T271 PolarHBondContact O-N 3.06Å; A247-T271 PolarHBondContact O-OG1 2.91Å; Y249-T271 HydrophobicContact CD2-CG2 4.05Å; Y249-T271 HydrophobicContact CE2-CG2 4.16Å; F269-T271 HydrophobicContact CE2-CG2 3.92Å |
| 272 | S | 83.6 | Confident | 71.1 | Confident | 56 Ų | 56 | 88 Ų | 88 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 161.1 | 179.2 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | G194 N246 | G194-S272 WeakPolarHBondContact O-CB 3.34Å; G194-S272 PolarHBondContact O-N 2.75Å; N246-S272 PolarHBondContact N-O 3.34Å |
| 273 | A | 77.8 | Confident | 68.6 | Low | 72 Ų | 72 | 91.2 Ų | 91.2 | 60% | 0.595 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 146.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | P275 | A273-P275 WeakPolarHBondContact O-CD 3.31Š|
| 274 | Q | 77 | Confident | 66 | Low | 129 Ų | 129 | 86.2 Ų | 86.2 | 60% | 0.603 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 128 | 177.9 | -171.7 | 172.1 | 6.8 | 0 | 0 | 110.2 | W245 T276 | W245-Q274 HydrophobicContact CB-CB 3.83Å; W245-Q274 HydrophobicContact CD2-CB 3.86Å; W245-Q274 HydrophobicContact CD2-CG 4.03Å; W245-Q274 HydrophobicContact CE3-CB 4.36Å; W245-Q274 HydrophobicContact CG-CB 3.62Å; W245-Q274 HydrophobicContact CG-CG 3.95Å; Q274-T276 PolarHBondContact O-N 3.12Å |
| 275 | P | 68.4 | Low | 63.5 | Low | 90 Ų | 90 | 91.5 Ų | 91.5 | 58% | 0.584 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 118.3 | 172.9 | -24.5 | 31.7 | 0 | 0 | 0 | 109 | W245 A273 A277 | W245-P275 HydrophobicContact CH2-CG 3.81Å; W245-P275 HydrophobicContact CZ3-CG 4.08Å; A273-P275 WeakPolarHBondContact O-CD 3.31Å; P275-A277 PolarHBondContact O-N 3.36Å |
| 276 | T | 58.4 | Low | 61.4 | Low | 130 Ų | 130 | 96.5 Ų | 96.5 | 80% | 0.798 | 60% | 0.601 | S | S | * | * | trans | -74.1 | 112.5 | 178.1 | -31.6 | 0 | 0 | 0 | 0 | 107.2 | Q274 I278 | Q274-T276 PolarHBondContact O-N 3.12Å; T276-I278 PolarHBondContact O-N 3.41Å | ||
| 277 | A | 44.1 | Very low | 58.6 | Low | 89 Ų | 89 | 95.8 Ų | 95.8 | 74% | 0.736 | 61% | 0.613 | S | S | * | * | trans | -65.6 | 106.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | P275 P279 | P275-A277 PolarHBondContact O-N 3.36Å; A277-P279 VanDerWaalsContact O-CD 3.24Å; A277-P279 WeakPolarHBondContact O-CD 3.33Å | ||
| 278 | I | 45.9 | Very low | 56.5 | Low | 153 Ų | 153 | 99 Ų | 99 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | trans | -67.7 | 117.2 | 168.8 | -55.8 | 175.7 | 0 | 0 | 0 | 105.9 | T276 A280 | T276-I278 PolarHBondContact O-N 3.41Å; I278-A280 PolarHBondContact O-N 2.88Å | ||
| 279 | P | 38.7 | Very low | 53.9 | Low | 99 Ų | 99 | 105.7 Ų | 105.7 | 64% | 0.643 | 66% | 0.661 | S | S | * | * | trans | -63.1 | 126.2 | 173 | -14.2 | 28.5 | 0 | 0 | 0 | 107.9 | A277 T281 | A277-P279 VanDerWaalsContact O-CD 3.24Å; A277-P279 WeakPolarHBondContact O-CD 3.33Å; P279-T281 PolarHBondContact O-N 2.94Å | ||
| 280 | A | 39.6 | Very low | 51.8 | Low | 108 Ų | 108 | 111 Ų | 111 | 89% | 0.893 | 70% | 0.695 | S | S | * | * | trans | -69.3 | 83.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | I278 | I278-A280 PolarHBondContact O-N 2.88Š| ||
| 281 | T | 39.5 | Very low | 49.4 | Very low | 123 Ų | 123 | 113.5 Ų | 113.5 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | trans | -89.4 | 121.8 | 165 | 44.4 | 0 | 0 | 0 | 0 | 109.1 | P279 | P279-T281 PolarHBondContact O-N 2.94Š| ||
| 282 | L | 42.6 | Very low | 47.3 | Very low | 180 Ų | 180 | 119.4 Ų | 119.4 | 94% | 0.942 | 75% | 0.746 | S | S | * | * | trans | -42.2 | 135.4 | 165.9 | -96.7 | 81.6 | 0 | 0 | 0 | 111.9 | ||||
| 283 | G | 36.1 | Very low | 45 | Very low | 78 Ų | 78 | 121.6 Ų | 121.6 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 127.1 | 107.2 | 145.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 284 | G | 33.9 | Very low | 43.6 | Very low | 75 Ų | 75 | 125.5 Ų | 125.5 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | 94.4 | 110.3 | 129.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 285 | N | 34.1 | Very low | 41.7 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | 65.3 | 110 | 146.1 | -74.5 | 15.8 | 0 | 0 | 0 | 121.6 | ||||
| 286 | S | 42.7 | Very low | 40 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | 47 | 107 | 124.4 | -52.9 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 287 | A | 32.2 | Very low | 38.8 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -155.9 | 111.1 | 130.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 288 | S | 44.1 | Very low | 38.2 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -67.7 | 127.6 | 176.2 | -37.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 289 | Y | 34.8 | Very low | 37.6 | Very low | 206 Ų | 206 | 129 Ų | 129 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -135 | 107.9 | 155 | -73.2 | -78.2 | 0 | 0 | 0 | 108.7 | F291 | Y289-F291 PolarHBondContact O-N 2.79Š| ||
| 290 | T | 43.4 | Very low | 37.5 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -73.2 | 113.7 | 174 | 45.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 291 | F | 34.8 | Very low | 37.1 | Very low | 191 Ų | 191 | 131.8 Ų | 131.8 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -110.2 | 111.1 | 152.2 | -82.6 | -80.1 | 0 | 0 | 0 | 107.9 | Y289 S293 | Y289-F291 PolarHBondContact O-N 2.79Å; F291-S293 PolarHBondContact O-N 3.25Å | ||
| 292 | V | 41.1 | Very low | 36.8 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -72.9 | 110.5 | 170.8 | 175.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 293 | S | 35.7 | Very low | 36.3 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -140.4 | 109.7 | 162.1 | -56.9 | 0 | 0 | 0 | 0 | 107 | F291 L295 | F291-S293 PolarHBondContact O-N 3.25Å; S293-L295 PolarHBondContact O-N 3.02Å | ||
| 294 | L | 48.3 | Very low | 36.1 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | trans | -59.4 | 123.6 | 174.4 | -81.9 | 95.6 | 0 | 0 | 0 | 109.8 | ||||
| 295 | L | 36.6 | Very low | 36.3 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -132.5 | 115.7 | 161.2 | -99.1 | 158.8 | 0 | 0 | 0 | 108.4 | S293 | S293-L295 PolarHBondContact O-N 3.02Š| ||
| 296 | F | 34.3 | Very low | 36.4 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 79% | 0.789 | 78% | 0.78 | S | S | * | * | trans | -70 | 130.1 | 168.6 | -106.3 | -91.7 | 0 | 0 | 0 | 109.3 | ||||
| 297 | S | 32.1 | Very low | 36 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | 57.7 | 101.9 | 144.6 | 33.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 298 | A | 32.3 | Very low | 36.2 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | -136.2 | 95.1 | 119.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | T300 | A298-T300 PolarHBondContact O-N 3.35Š| |||
| 299 | V | 33.8 | Very low | 35.8 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -87.9 | 87.7 | 173.6 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | L301 | V299-L301 HydrophobicContact CG1-CB 3.88Å; V299-L301 HydrophobicContact CG1-CD1 4.48Å | ||
| 300 | T | 35.7 | Very low | 35.9 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | trans | -85.3 | 98.4 | 147.1 | 42.1 | 0 | 0 | 0 | 0 | 106.6 | A298 L302 | A298-T300 PolarHBondContact O-N 3.35Å; T300-L302 PolarHBondContact O-N 3.44Å; T300-L302 VanDerWaalsContact O-N 3.16Å | ||
| 301 | L | 31.9 | Very low | 35.3 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | trans | -83.6 | 88.9 | 175.1 | -160.3 | 71.8 | 0 | 0 | 0 | 108.7 | V299 L303 | V299-L301 HydrophobicContact CG1-CB 3.88Å; V299-L301 HydrophobicContact CG1-CD1 4.48Å; L301-L303 HydrophobicContact CD1-CD1 3.91Å; L301-L303 HydrophobicContact CD1-CG 4.5Å; L301-L303 HydrophobicContact CD2-CD1 3.75Å; L301-L303 HydrophobicContact CG-CD1 3.75Å; L301-L303 HydrophobicContact CG-CG 4.32Å; L301-L303 PolarHBondContact O-N 2.83Å | ||
| 302 | L | 32.4 | Very low | 35.4 | Very low | 156 Ų | 156 | 134 Ų | 134 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | -85.1 | 98.2 | 162.4 | -148.5 | 89.8 | 0 | 0 | 0 | 106.6 | T300 L304 | T300-L302 PolarHBondContact O-N 3.44Å; T300-L302 VanDerWaalsContact O-N 3.16Å; L302-L304 HydrophobicContact CD2-CD1 4.35Å | ||
| 303 | L | 31.5 | Very low | 35 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 62% | 0.618 | 78% | 0.776 | S | S | * | * | trans | -107.2 | 104 | 171.3 | -101.4 | 156.9 | 0 | 0 | 0 | 108.6 | L301 | L301-L303 HydrophobicContact CD1-CD1 3.91Å; L301-L303 HydrophobicContact CD1-CG 4.5Å; L301-L303 HydrophobicContact CD2-CD1 3.75Å; L301-L303 HydrophobicContact CG-CD1 3.75Å; L301-L303 HydrophobicContact CG-CG 4.32Å; L301-L303 PolarHBondContact O-N 2.83Å | ||
| 304 | L | 31.7 | Very low | 34.9 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | -67 | 121.3 | 154.7 | -78 | 96 | 0 | 0 | 0 | 107.6 | L302 | L302-L304 HydrophobicContact CD2-CD1 4.35Š| ||
| 305 | C | 38.2 | Very low | 33.7 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 100% | 1.02 | 78% | 0.78 | S | S | * | * | trans | -105.8 | 0 | 153.3 | -69.7 | 0 | 0 | 0 | 0 | 109.2 | S5 | S5-C305 VanDerWaalsContact CA-O 3.25Å; S5-C305 WeakPolarHBondContact CA-O 3.42Å; S5-C305 WeakPolarHBondContact CB-O 3.24Å |
Retrieved 305 of 305 residues in 140.1 ms
(Link to these results)