| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 30.5 | Very low | 40.4 | Very low | 161 Ų | 161 | 112.4 Ų | 112.4 | 79% | 0.793 | 67% | 0.668 | S | S | * | * | 0 | 125.5 | 0 | -84.8 | 169.3 | 40.2 | 0 | 0 | 106.9 | Y41 R43 | M1-Y41 HydrophobicContact CE-CE1 4.05Å; M1-Y41 HydrophobicContact SD-CE1 3.66Å; M1-R43 VanDerWaalsContact CE-NH2 3.29Å; M1-R43 PolarHBondContact SD-NH2 3.21Å | |||
| 2 | S | 26.5 | Very low | 42.5 | Very low | 109 Ų | 109 | 104.3 Ų | 104.3 | 76% | 0.762 | 62% | 0.619 | S | S | * | * | trans | -144.6 | 67.4 | -156.8 | -51.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3 | N | 30.9 | Very low | 44.3 | Very low | 159 Ų | 159 | 103.9 Ų | 103.9 | 85% | 0.85 | 61% | 0.612 | S | S | * | * | trans | -97.4 | 98.6 | 164.4 | -80.1 | 23.3 | 0 | 0 | 0 | 108.3 | S5 | N3-S5 PolarHBondContact O-N 2.9Å; N3-S5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | N | 30.2 | Very low | 46 | Very low | 173 Ų | 173 | 103.1 Ų | 103.1 | 93% | 0.925 | 60% | 0.604 | S | S | * | * | trans | -71.6 | 101.2 | 170.4 | -85.4 | 0.6 | 0 | 0 | 0 | 109.7 | ||||
| 5 | S | 31.7 | Very low | 47.8 | Very low | 90 Ų | 90 | 97.3 Ų | 97.3 | 63% | 0.629 | 57% | 0.569 | S | S | * | * | trans | -121.6 | 113 | 154.7 | 56.2 | 0 | 0 | 0 | 0 | 107.2 | N3 L7 | N3-S5 PolarHBondContact O-N 2.9Å; N3-S5 VanDerWaalsContact O-N 3.12Å; S5-L7 PolarHBondContact O-N 3.05Å | ||
| 6 | G | 32.7 | Very low | 49.8 | Very low | 82 Ų | 82 | 102.4 Ų | 102.4 | 85% | 0.845 | 58% | 0.576 | S | S | * | * | trans | -66.6 | 97.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 7 | L | 41.5 | Very low | 51.8 | Low | 127 Ų | 127 | 101 Ų | 101 | 67% | 0.665 | 57% | 0.567 | S | S | * | * | trans | -102.3 | 99.1 | 165.2 | -71.6 | 169.2 | 0 | 0 | 0 | 107 | S5 I9 | S5-L7 PolarHBondContact O-N 3.05Å; L7-I9 PolarHBondContact O-N 3.41Å | ||
| 8 | D | 53.3 | Low | 53.6 | Low | 135 Ų | 135 | 95.4 Ų | 95.4 | 72% | 0.722 | 54% | 0.535 | S | S | * | . | trans | -62.8 | 122.9 | 162.5 | -66.5 | -29 | 0 | 0 | 0 | 106.8 | T10 | D8-T10 PolarHBondContact O-N 3.27Š| ||
| 9 | I | 56.6 | Low | 55.1 | Low | 27 Ų | 27 | 94.2 Ų | 94.2 | 14% | 0.138 | 53% | 0.534 | C | S | . | . | trans | -85.1 | 90.6 | -171 | -64.9 | -176.8 | 0 | 0 | 0 | 108.2 | L7 N11 D14 L15 I67 K71 | L7-I9 PolarHBondContact O-N 3.41Å; I9-N11 VanDerWaalsContact CG2-O 3.28Å; I9-N11 WeakPolarHBondContact CG2-O 3.3Å; I9-D14 HydrophobicContact CG2-CB 4.38Å; I9-L15 HydrophobicContact CD1-CD2 3.67Å; I9-L15 HydrophobicContact CG2-CD2 4.4Å; I9-L15 HydrophobicContact CG2-CG 4.34Å; I9-I67 HydrophobicContact CD1-CG2 4.4Å; I9-K71 VanDerWaalsContact CD1-NZ 3.28Å | ||
| 10 | T | 52.7 | Low | 56.4 | Low | 114 Ų | 114 | 92.6 Ų | 92.6 | 70% | 0.699 | 54% | 0.539 | S | S | * | . | trans | -77.5 | -30.6 | -174.6 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | D8 D14 K64 | D8-T10 PolarHBondContact O-N 3.27Å; T10-D14 PolarHBondContact N-OD2 2.87Å; T10-D14 PolarHBondContact OG1-OD2 3.03Å; T10-K64 WeakPolarHBondContact O-CE 3.31Å; T10-K64 PolarHBondContact O-NZ 2.81Å | ||
| 11 | N | 58.2 | Low | 57.9 | Low | 59 Ų | 59 | 90.3 Ų | 90.3 | 32% | 0.316 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -125.8 | 145.2 | 174.8 | -172.7 | -4.6 | 0 | 0 | 0 | 110 | I9 D13 D14 E60 | I9-N11 VanDerWaalsContact CG2-O 3.28Å; I9-N11 WeakPolarHBondContact CG2-O 3.3Å; N11-D13 PolarHBondContact ND2-OD2 2.71Å; N11-D13 PolarHBondContact O-N 3.2Å; N11-D13 PolarHBondContact OD1-N 3.36Å; N11-D13 VanDerWaalsContact OD1-N 3.07Å; N11-D14 PolarHBondContact N-OD2 2.85Å; N11-D14 WeakPolarHBondContact O-CB 3.22Å; N11-D14 PolarHBondContact O-N 2.91Å; N11-D14 VanDerWaalsContact O-N 3.17Å; N11-E60 PolarHBondContact OD1-OE1 2.78Å |
| 12 | L | 65.4 | Low | 60.8 | Low | 16 Ų | 16 | 83.4 Ų | 83.4 | 8% | 0.084 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -58.4 | -31.2 | 166.7 | -78.8 | 178.5 | 0 | 0 | 0 | 112.6 | D14 L15 I55 E60 I63 K64 I87 | L12-D14 PolarHBondContact O-N 3.26Å; L12-D14 VanDerWaalsContact O-N 3.13Å; L12-L15 HydrophobicContact CD2-CD1 3.57Å; L12-L15 WeakPolarHBondContact O-CB 3.16Å; L12-L15 WeakPolarHBondContact O-CG 3.39Å; L12-L15 PolarHBondContact O-N 3.17Å; L12-I55 HydrophobicContact CD1-CG2 4.26Å; L12-E60 WeakPolarHBondContact CB-OE1 3.25Å; L12-E60 HydrophobicContact CD1-CB 3.71Å; L12-E60 HydrophobicContact CD1-CG 3.69Å; L12-E60 HydrophobicContact CG-CB 4.36Å; L12-E60 HydrophobicContact CG-CG 3.77Å; L12-E60 VanDerWaalsContact CG-OE1 3.31Å; L12-E60 WeakPolarHBondContact CG-OE1 3.44Å; L12-E60 PolarHBondContact N-OE1 2.87Å; L12-I63 HydrophobicContact CD2-CG2 3.79Å; L12-K64 HydrophobicContact CD2-CG 4.46Å; L12-I87 HydrophobicContact CB-CD1 3.68Å; L12-I87 HydrophobicContact CD1-CD1 4.4Å; L12-I87 HydrophobicContact CD2-CD1 4.14Å; L12-I87 HydrophobicContact CG-CD1 4.26Å |
| 13 | D | 65.6 | Low | 63.9 | Low | 99 Ų | 99 | 80.6 Ų | 80.6 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -62.4 | -16 | 175 | -68.1 | -55.7 | 0 | 0 | 0 | 114.1 | N11 L15 K89 | N11-D13 PolarHBondContact ND2-OD2 2.71Å; N11-D13 PolarHBondContact O-N 3.2Å; N11-D13 PolarHBondContact OD1-N 3.36Å; N11-D13 VanDerWaalsContact OD1-N 3.07Å; D13-L15 PolarHBondContact O-N 2.93Å; D13-K89 IonicContact OD1-NZ 3.29Å; D13-K89 PolarHBondContact OD1-NZ 3.39Å |
| 14 | D | 68.9 | Low | 66.8 | Low | 92 Ų | 92 | 76.1 Ų | 76.1 | 49% | 0.492 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -69.7 | -15.4 | 172.6 | -59.6 | -41.7 | 0 | 0 | 0 | 111.8 | I9 T10 N11 L12 | I9-D14 HydrophobicContact CG2-CB 4.38Å; T10-D14 PolarHBondContact N-OD2 2.87Å; T10-D14 PolarHBondContact OG1-OD2 3.03Å; N11-D14 PolarHBondContact N-OD2 2.85Å; N11-D14 WeakPolarHBondContact O-CB 3.22Å; N11-D14 PolarHBondContact O-N 2.91Å; N11-D14 VanDerWaalsContact O-N 3.17Å; L12-D14 PolarHBondContact O-N 3.26Å; L12-D14 VanDerWaalsContact O-N 3.13Å |
| 15 | L | 72.4 | Confident | 69.7 | Low | 17 Ų | 17 | 71.7 Ų | 71.7 | 9% | 0.089 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -79 | 128.1 | 177.4 | -62.2 | 167.8 | 0 | 0 | 0 | 110.7 | I9 L12 D13 I67 A85 I87 L96 | I9-L15 HydrophobicContact CD1-CD2 3.67Å; I9-L15 HydrophobicContact CG2-CD2 4.4Å; I9-L15 HydrophobicContact CG2-CG 4.34Å; L12-L15 HydrophobicContact CD2-CD1 3.57Å; L12-L15 WeakPolarHBondContact O-CB 3.16Å; L12-L15 WeakPolarHBondContact O-CG 3.39Å; L12-L15 PolarHBondContact O-N 3.17Å; D13-L15 PolarHBondContact O-N 2.93Å; L15-I67 HydrophobicContact CD1-CD1 4.24Å; L15-A85 HydrophobicContact CD2-CB 3.79Å; L15-A85 WeakPolarHBondContact CD2-O 3.44Å; L15-I87 HydrophobicContact CB-CD1 4.33Å; L15-I87 HydrophobicContact CB-CG1 3.99Å; L15-I87 HydrophobicContact CD1-CD1 3.84Å; L15-I87 HydrophobicContact CD1-CG1 3.82Å; L15-L96 HydrophobicContact CD1-CD1 4.09Å |
| 16 | R | 79.6 | Confident | 72.6 | Confident | 179 Ų | 179 | 71.3 Ų | 71.3 | 68% | 0.675 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 153.5 | -177.1 | -57.3 | 179.9 | -170.7 | -172.7 | 1.3 | 111.4 | I21 F86 I87 | R16-I21 HydrophobicContact CB-CD1 4.32Å; R16-F86 HydrophobicContact CB-CD1 4.31Å; R16-F86 VanDerWaalsContact O-CA 3.24Å; R16-F86 WeakPolarHBondContact O-CA 3.33Å; R16-F86 VanDerWaalsContact O-CB 3.24Å; R16-F86 WeakPolarHBondContact O-CB 3.3Å; R16-I87 PolarHBondContact O-N 3.33Å; R16-I87 VanDerWaalsContact O-N 3.1Å |
| 17 | D | 83.2 | Confident | 75.3 | Confident | 78 Ų | 78 | 71 Ų | 71 | 42% | 0.417 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -59 | 130.2 | 163.5 | -167.8 | -33.6 | 0 | 0 | 0 | 109.7 | S19 I21 I87 | D17-S19 PolarHBondContact O-N 3.23Å; D17-S19 WeakPolarHBondContact OD1-CB 3.21Å; D17-S19 PolarHBondContact OD1-N 3.1Å; D17-S19 PolarHBondContact OD1-OG 3.12Å; D17-I21 VanDerWaalsContact O-CD1 3.29Å; D17-I21 WeakPolarHBondContact O-CD1 3.1Å; D17-I87 WeakPolarHBondContact CA-O 3.4Å |
| 18 | P | 85.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -71.1 | -12.4 | 175.8 | 28.4 | -33.5 | 0 | 0 | 0 | 113.6 | G20 I21 F22 F86 I87 K88 W97 | P18-G20 PolarHBondContact O-N 3.04Å; P18-I21 WeakPolarHBondContact O-CA 3.48Å; P18-I21 WeakPolarHBondContact O-CB 3.48Å; P18-I21 PolarHBondContact O-N 3.44Å; P18-F22 PolarHBondContact O-N 3.24Å; P18-F86 HydrophobicContact CB-CB 3.75Å; P18-F86 HydrophobicContact CB-CG 4.11Å; P18-F86 HydrophobicContact CG-CB 4.08Å; P18-I87 WeakPolarHBondContact CD-O 3.18Å; P18-K88 HydrophobicContact CG-CB 3.84Å; P18-W97 HydrophobicContact CB-CD2 3.9Å; P18-W97 HydrophobicContact CB-CE3 3.38Å; P18-W97 HydrophobicContact CB-CG 4.46Å; P18-W97 HydrophobicContact CB-CH2 4.49Å; P18-W97 HydrophobicContact CB-CZ3 3.72Å; P18-W97 HydrophobicContact CG-CD2 3.54Å; P18-W97 HydrophobicContact CG-CE3 3.55Å; P18-W97 HydrophobicContact CG-CG 3.99Å; P18-W97 HydrophobicContact CG-CH2 4.25Å; P18-W97 HydrophobicContact CG-CZ2 4.27Å; P18-W97 HydrophobicContact CG-CZ3 3.91Å | ||
| 19 | S | 81.4 | Confident | 78.6 | Confident | 73 Ų | 73 | 62.9 Ų | 62.9 | 51% | 0.51 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 127.2 | -177.7 | -60 | 0 | 0 | 0 | 0 | 111.8 | D17 I21 | D17-S19 PolarHBondContact O-N 3.23Å; D17-S19 WeakPolarHBondContact OD1-CB 3.21Å; D17-S19 PolarHBondContact OD1-N 3.1Å; D17-S19 PolarHBondContact OD1-OG 3.12Å; S19-I21 PolarHBondContact O-N 2.85Å; S19-I21 VanDerWaalsContact O-N 3.11Å |
| 20 | G | 81.1 | Confident | 79.5 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 64% | 0.639 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | -12.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | P18 T42 | P18-G20 PolarHBondContact O-N 3.04Å; G20-T42 WeakPolarHBondContact O-CB 3.37Å; G20-T42 WeakPolarHBondContact O-CG2 3.36Å; G20-T42 PolarHBondContact O-OG1 2.71Å |
| 21 | I | 88.7 | Confident | 80 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 23% | 0.226 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -50 | 171.4 | -50.7 | -175.4 | 0 | 0 | 0 | 109.6 | R16 D17 P18 S19 Y41 T42 F86 | R16-I21 HydrophobicContact CB-CD1 4.32Å; D17-I21 VanDerWaalsContact O-CD1 3.29Å; D17-I21 WeakPolarHBondContact O-CD1 3.1Å; P18-I21 WeakPolarHBondContact O-CA 3.48Å; P18-I21 WeakPolarHBondContact O-CB 3.48Å; P18-I21 PolarHBondContact O-N 3.44Å; S19-I21 PolarHBondContact O-N 2.85Å; S19-I21 VanDerWaalsContact O-N 3.11Å; I21-Y41 HydrophobicContact CG2-CD2 4.07Å; I21-Y41 HydrophobicContact CG2-CE2 3.74Å; I21-Y41 WeakPolarHBondContact O-CD2 3.41Å; I21-T42 PolarHBondContact O-N 3.1Å; I21-T42 PolarHBondContact O-OG1 2.91Å; I21-T42 VanDerWaalsContact O-OG1 3.13Å; I21-F86 HydrophobicContact CD1-CD1 4.05Å; I21-F86 HydrophobicContact CD1-CE1 3.77Å; I21-F86 HydrophobicContact CG2-CE1 4.11Å; I21-F86 HydrophobicContact CG2-CZ 4.28Å |
| 22 | F | 91 | Very high | 79.8 | Confident | 16 Ų | 16 | 68 Ų | 68 | 7% | 0.07 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 140.9 | 178.2 | -74 | -84.4 | 0 | 0 | 0 | 111.6 | P18 R40 Y41 A48 I50 F86 W97 A99 | P18-F22 PolarHBondContact O-N 3.24Å; F22-R40 WeakPolarHBondContact CA-O 3.43Å; F22-Y41 HydrophobicContact CD1-CD2 4.49Å; F22-Y41 HydrophobicContact CE1-CD2 4.15Å; F22-Y41 HydrophobicContact CE1-CG 4.24Å; F22-Y41 HydrophobicContact CE2-CD2 4.25Å; F22-Y41 HydrophobicContact CZ-CD2 4.02Å; F22-Y41 HydrophobicContact CZ-CG 4.35Å; F22-A48 HydrophobicContact CD1-CB 4.34Å; F22-A48 HydrophobicContact CE1-CB 3.76Å; F22-I50 HydrophobicContact CB-CD1 3.64Å; F22-I50 HydrophobicContact CD1-CD1 3.72Å; F22-I50 HydrophobicContact CG-CD1 3.76Å; F22-F86 HydrophobicContact CD2-CE2 4.05Å; F22-F86 HydrophobicContact CD2-CZ 4.26Å; F22-F86 HydrophobicContact CE2-CD2 4.45Å; F22-F86 AromaticContact CE2-CE2 3.6Å; F22-F86 HydrophobicContact CE2-CE2 3.6Å; F22-F86 AromaticContact CE2-CZ 3.73Å; F22-F86 HydrophobicContact CE2-CZ 3.73Å; F22-W97 HydrophobicContact CB-CZ3 4.37Å; F22-A99 HydrophobicContact CE1-CB 4.47Å; F22-A99 HydrophobicContact CE2-CB 4.01Å; F22-A99 HydrophobicContact CZ-CB 3.94Å |
| 23 | S | 90.7 | Very high | 79.8 | Confident | 50 Ų | 50 | 72 Ų | 72 | 35% | 0.35 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 130 | 166 | 60.8 | 0 | 0 | 0 | 0 | 109.7 | G39 R40 | S23-G39 CarbonylContact O-C 3.47Å; S23-G39 WeakPolarHBondContact O-CA 2.95Å; S23-R40 PolarHBondContact N-O 2.83Å; S23-R40 PolarHBondContact O-N 2.9Å |
| 24 | L | 92.2 | Very high | 80 | Confident | 65 Ų | 65 | 68 Ų | 68 | 34% | 0.34 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 153.3 | 167.1 | -52.5 | -179.4 | 0 | 0 | 0 | 109.7 | Y37 I50 W97 | L24-Y37 HydrophobicContact CB-CD1 4.36Å; L24-Y37 HydrophobicContact CD1-CD1 4.08Å; L24-Y37 HydrophobicContact CD1-CD2 4.44Å; L24-Y37 HydrophobicContact CD1-CE1 4.25Å; L24-Y37 HydrophobicContact CD1-CG 4.18Å; L24-Y37 HydrophobicContact CD2-CG 4.11Å; L24-I50 HydrophobicContact CD2-CB 4.23Å; L24-I50 HydrophobicContact CD2-CD1 4.07Å; L24-I50 HydrophobicContact CD2-CG2 4.22Å; L24-W97 HydrophobicContact CD1-CH2 3.77Å; L24-W97 HydrophobicContact CD1-CZ2 3.87Å; L24-W97 HydrophobicContact CD2-CE3 4.19Å; L24-W97 HydrophobicContact CD2-CH2 3.71Å; L24-W97 HydrophobicContact CD2-CZ2 4.3Å; L24-W97 HydrophobicContact CD2-CZ3 3.64Å; L24-W97 HydrophobicContact CG-CH2 3.56Å; L24-W97 HydrophobicContact CG-CZ2 4.17Å; L24-W97 HydrophobicContact CG-CZ3 3.98Å |
| 25 | I | 92 | Very high | 80.7 | Confident | 81 Ų | 81 | 66.2 Ų | 66.2 | 42% | 0.415 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | -62.8 | 177.5 | -59.8 | 176.6 | 0 | 0 | 0 | 110.2 | K38 R40 L47 | I25-K38 WeakPolarHBondContact CB-O 3.27Å; I25-K38 PolarHBondContact N-O 2.89Å; I25-R40 HydrophobicContact CD1-CB 4.06Å; I25-L47 HydrophobicContact CD1-CD2 4.18Å |
| 26 | E | 91.1 | Very high | 81.4 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 38% | 0.379 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 153.7 | -173.8 | 70 | -158.8 | -155.4 | 0 | 0 | 109.7 | V28 Y37 K38 | E26-V28 HydrophobicContact CG-CG1 3.89Å; E26-Y37 CarbonylContact O-C 3.45Å; E26-Y37 VanDerWaalsContact O-CA 3.29Å; E26-Y37 WeakPolarHBondContact O-CA 3.47Å; E26-K38 HydrophobicContact CG-CB 3.94Å; E26-K38 HydrophobicContact CG-CD 3.7Å; E26-K38 PolarHBondContact O-N 3.08Å; E26-K38 WeakPolarHBondContact OE1-CD 3.24Å; E26-K38 WeakPolarHBondContact OE1-CE 3.21Å; E26-K38 IonicContact OE1-NZ 2.74Å; E26-K38 PolarHBondContact OE1-NZ 3.37Å; E26-K38 IonicContact OE2-NZ 3.95Å; E26-K38 PolarHBondContact OE2-NZ 3.29Å |
| 27 | V | 89.6 | Confident | 82.1 | Confident | 76 Ų | 76 | 61 Ų | 61 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 127.3 | 169.2 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | Y37 | V27-Y37 HydrophobicContact CG2-CD1 3.8Å; V27-Y37 HydrophobicContact CG2-CE1 3.4Å; V27-Y37 VanDerWaalsContact CG2-CE1 3.4Å |
| 28 | V | 85.8 | Confident | 82.6 | Confident | 65 Ų | 65 | 59.3 Ų | 59.3 | 39% | 0.394 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -9.4 | 176.6 | -63.4 | 0 | 0 | 0 | 0 | 113.5 | E26 V36 K38 Y102 | E26-V28 HydrophobicContact CG-CG1 3.89Å; V28-V36 HydrophobicContact CG2-CB 4.37Å; V28-V36 HydrophobicContact CG2-CG1 3.9Å; V28-V36 WeakPolarHBondContact CG2-O 3.45Å; V28-V36 PolarHBondContact N-O 3.06Å; V28-K38 HydrophobicContact CG1-CB 3.71Å; V28-Y102 HydrophobicContact CG1-CE2 4.28Å |
| 29 | G | 78.9 | Confident | 83 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 27% | 0.268 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 138.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V36 | G29-V36 PolarHBondContact N-O 3.04Å; G29-V36 VanDerWaalsContact N-O 3.09Å; G29-V36 PolarHBondContact O-N 2.87Å |
| 30 | K | 74.8 | Confident | 83.5 | Confident | 150 Ų | 150 | 61 Ų | 61 | 65% | 0.652 | 34% | 0.342 | S | S | * | . | trans | -89.3 | 141.3 | 163.7 | -62.7 | -173.7 | 179.2 | -177.9 | 0 | 108.6 | N35 | K30-N35 WeakPolarHBondContact CA-OD1 3.3Š| ||
| 31 | G | 63.9 | Low | 84 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | trans | -146.6 | 155.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y33 G34 | G31-Y33 PolarHBondContact O-N 2.92Å; G31-G34 CarbonylContact C-O 3.53Å; G31-G34 WeakPolarHBondContact CA-O 3.21Å; G31-G34 PolarHBondContact N-O 2.82Å; G31-G34 PolarHBondContact O-N 2.92Å | ||
| 32 | T | 54.5 | Low | 84.1 | Confident | 116 Ų | 116 | 61 Ų | 61 | 71% | 0.712 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -8.3 | -172.6 | 52.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 33 | Y | 64.6 | Low | 84 | Confident | 98 Ų | 98 | 68.4 Ų | 68.4 | 38% | 0.384 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 2.2 | 179.1 | -56.7 | -74 | 0 | 0 | 0 | 112.4 | G31 M53 I184 | G31-Y33 PolarHBondContact O-N 2.92Å; Y33-M53 VanDerWaalsContact O-CB 3.24Å; Y33-M53 WeakPolarHBondContact O-CB 3.19Å; Y33-M53 WeakPolarHBondContact O-CG 3.41Å; Y33-I184 WeakPolarHBondContact OH-CG1 3.39Å |
| 34 | G | 71.1 | Confident | 84 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 17% | 0.165 | 36% | 0.361 | C | S | . | . | trans | 139.6 | 169.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G31 V52 | G31-G34 CarbonylContact C-O 3.53Å; G31-G34 WeakPolarHBondContact CA-O 3.21Å; G31-G34 PolarHBondContact N-O 2.82Å; G31-G34 PolarHBondContact O-N 2.92Å; G34-V52 CarbonylContact C-O 3.55Å; G34-V52 VanDerWaalsContact CA-O 3.24Å; G34-V52 WeakPolarHBondContact CA-O 3.26Å | ||
| 35 | N | 82.6 | Confident | 83.9 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 139.1 | -174.3 | -69.5 | -34.9 | 0 | 0 | 0 | 111.6 | K30 Y37 V52 | K30-N35 WeakPolarHBondContact CA-OD1 3.3Å; N35-Y37 HydrophobicContact CB-CD2 4.29Å; N35-Y37 HydrophobicContact CB-CE2 3.58Å; N35-V52 PolarHBondContact N-O 3.31Å; N35-V52 VanDerWaalsContact N-O 3.09Å; N35-V52 PolarHBondContact O-N 2.95Å |
| 36 | V | 88 | Confident | 83.9 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 19% | 0.194 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 118.1 | 172.2 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | V28 G29 A49 K51 | V28-V36 HydrophobicContact CG2-CB 4.37Å; V28-V36 HydrophobicContact CG2-CG1 3.9Å; V28-V36 WeakPolarHBondContact CG2-O 3.45Å; V28-V36 PolarHBondContact N-O 3.06Å; G29-V36 PolarHBondContact N-O 3.04Å; G29-V36 VanDerWaalsContact N-O 3.09Å; G29-V36 PolarHBondContact O-N 2.87Å; V36-A49 HydrophobicContact CG1-CB 4.11Å; V36-K51 HydrophobicContact CG2-CB 4.21Å; V36-K51 HydrophobicContact CG2-CG 4.03Å |
| 37 | Y | 92.4 | Very high | 84 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 22% | 0.22 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 149.5 | 175.3 | -63.6 | -99.8 | 0 | 0 | 0 | 110.3 | L24 E26 V27 N35 A49 I50 V52 | L24-Y37 HydrophobicContact CB-CD1 4.36Å; L24-Y37 HydrophobicContact CD1-CD1 4.08Å; L24-Y37 HydrophobicContact CD1-CD2 4.44Å; L24-Y37 HydrophobicContact CD1-CE1 4.25Å; L24-Y37 HydrophobicContact CD1-CG 4.18Å; L24-Y37 HydrophobicContact CD2-CG 4.11Å; E26-Y37 CarbonylContact O-C 3.45Å; E26-Y37 VanDerWaalsContact O-CA 3.29Å; E26-Y37 WeakPolarHBondContact O-CA 3.47Å; V27-Y37 HydrophobicContact CG2-CD1 3.8Å; V27-Y37 HydrophobicContact CG2-CE1 3.4Å; V27-Y37 VanDerWaalsContact CG2-CE1 3.4Å; N35-Y37 HydrophobicContact CB-CD2 4.29Å; N35-Y37 HydrophobicContact CB-CE2 3.58Å; Y37-A49 CarbonylContact O-C 3.55Å; Y37-A49 WeakPolarHBondContact O-CA 3.45Å; Y37-I50 PolarHBondContact N-O 3.1Å; Y37-I50 PolarHBondContact O-N 3.49Å; Y37-V52 HydrophobicContact CD2-CB 4.11Å; Y37-V52 HydrophobicContact CD2-CG2 3.65Å; Y37-V52 HydrophobicContact CE2-CB 3.9Å; Y37-V52 HydrophobicContact CE2-CG2 3.87Å |
| 38 | K | 94.3 | Very high | 84.2 | Confident | 41 Ų | 41 | 64 Ų | 64 | 18% | 0.178 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 123.1 | 157.5 | 175.2 | -168.7 | -168.6 | -179.7 | 0 | 107.2 | I25 E26 V28 Y102 | I25-K38 WeakPolarHBondContact CB-O 3.27Å; I25-K38 PolarHBondContact N-O 2.89Å; E26-K38 HydrophobicContact CG-CB 3.94Å; E26-K38 HydrophobicContact CG-CD 3.7Å; E26-K38 PolarHBondContact O-N 3.08Å; E26-K38 WeakPolarHBondContact OE1-CD 3.24Å; E26-K38 WeakPolarHBondContact OE1-CE 3.21Å; E26-K38 IonicContact OE1-NZ 2.74Å; E26-K38 PolarHBondContact OE1-NZ 3.37Å; E26-K38 IonicContact OE2-NZ 3.95Å; E26-K38 PolarHBondContact OE2-NZ 3.29Å; V28-K38 HydrophobicContact CG1-CB 3.71Å; K38-Y102 HydrophobicContact CB-CD2 4.29Å; K38-Y102 HydrophobicContact CB-CE2 3.75Å; K38-Y102 HydrophobicContact CD-CE2 4.12Å; K38-Y102 HydrophobicContact CG-CD2 4.12Å; K38-Y102 HydrophobicContact CG-CE1 4.42Å; K38-Y102 HydrophobicContact CG-CE2 3.65Å |
| 39 | G | 93.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 170.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S23 L47 A48 | S23-G39 CarbonylContact O-C 3.47Å; S23-G39 WeakPolarHBondContact O-CA 2.95Å; G39-L47 WeakPolarHBondContact O-CA 3.45Å; G39-A48 PolarHBondContact N-O 3.33Å; G39-A48 PolarHBondContact O-N 3.05Å |
| 40 | R | 93.3 | Very high | 85.2 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.5 | 176.6 | -175.6 | -173.6 | -65.1 | -90.5 | 17.8 | 109.8 | F22 S23 I25 T42 G45 Q46 L47 | F22-R40 WeakPolarHBondContact CA-O 3.43Å; S23-R40 PolarHBondContact N-O 2.83Å; S23-R40 PolarHBondContact O-N 2.9Å; I25-R40 HydrophobicContact CD1-CB 4.06Å; R40-T42 PolarHBondContact O-N 2.67Å; R40-G45 WeakPolarHBondContact CG-O 3.39Å; R40-G45 PolarHBondContact NH1-O 3.23Å; R40-Q46 CarbonylContact C-O 3.57Å; R40-Q46 WeakPolarHBondContact CA-O 3.3Å; R40-L47 HydrophobicContact CB-CD2 4.42Å |
| 41 | Y | 92.1 | Very high | 85.7 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 106.9 | 171.9 | -178.7 | -133 | 0 | 0 | 0 | 108.9 | M1 I21 F22 R43 T44 G45 Q46 | M1-Y41 HydrophobicContact CE-CE1 4.05Å; M1-Y41 HydrophobicContact SD-CE1 3.66Å; I21-Y41 HydrophobicContact CG2-CD2 4.07Å; I21-Y41 HydrophobicContact CG2-CE2 3.74Å; I21-Y41 WeakPolarHBondContact O-CD2 3.41Å; F22-Y41 HydrophobicContact CD1-CD2 4.49Å; F22-Y41 HydrophobicContact CE1-CD2 4.15Å; F22-Y41 HydrophobicContact CE1-CG 4.24Å; F22-Y41 HydrophobicContact CE2-CD2 4.25Å; F22-Y41 HydrophobicContact CZ-CD2 4.02Å; F22-Y41 HydrophobicContact CZ-CG 4.35Å; Y41-R43 VanDerWaalsContact C-N 3.29Å; Y41-R43 HydrophobicContact CE1-CB 4.11Å; Y41-R43 HydrophobicContact CE2-CB 4.46Å; Y41-R43 PolarHBondContact O-N 2.8Å; Y41-R43 VanDerWaalsContact O-N 3.15Å; Y41-R43 PolarHBondContact OH-NE 2.75Å; Y41-T44 HydrophobicContact CD1-CG2 3.74Å; Y41-T44 WeakPolarHBondContact CD1-OG1 3.42Å; Y41-T44 HydrophobicContact CE1-CG2 3.69Å; Y41-T44 PolarHBondContact O-N 3.02Å; Y41-T44 VanDerWaalsContact O-N 3.09Å; Y41-T44 PolarHBondContact O-OG1 2.89Å; Y41-G45 PolarHBondContact O-N 3.26Å; Y41-Q46 PolarHBondContact N-O 3.31Å |
| 42 | T | 89.5 | Confident | 86.8 | Confident | 67 Ų | 67 | 52.6 Ų | 52.6 | 41% | 0.411 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -45.4 | -164.2 | 55.2 | 0 | 0 | 0 | 0 | 113 | G20 I21 R40 T44 | G20-T42 WeakPolarHBondContact O-CB 3.37Å; G20-T42 WeakPolarHBondContact O-CG2 3.36Å; G20-T42 PolarHBondContact O-OG1 2.71Å; I21-T42 PolarHBondContact O-N 3.1Å; I21-T42 PolarHBondContact O-OG1 2.91Å; I21-T42 VanDerWaalsContact O-OG1 3.13Å; R40-T42 PolarHBondContact O-N 2.67Å; T42-T44 PolarHBondContact O-N 2.79Å |
| 43 | R | 88.5 | Confident | 88 | Confident | 173 Ų | 173 | 48 Ų | 48 | 65% | 0.653 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -13.5 | -174 | -161.5 | 175.3 | 70.8 | 128.7 | 7.4 | 115 | M1 Y41 | M1-R43 VanDerWaalsContact CE-NH2 3.29Å; M1-R43 PolarHBondContact SD-NH2 3.21Å; Y41-R43 VanDerWaalsContact C-N 3.29Å; Y41-R43 HydrophobicContact CE1-CB 4.11Å; Y41-R43 HydrophobicContact CE2-CB 4.46Å; Y41-R43 PolarHBondContact O-N 2.8Å; Y41-R43 VanDerWaalsContact O-N 3.15Å; Y41-R43 PolarHBondContact OH-NE 2.75Å |
| 44 | T | 91.7 | Very high | 88.6 | Confident | 74 Ų | 74 | 47 Ų | 47 | 45% | 0.454 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | -16.2 | -174 | 63.3 | 0 | 0 | 0 | 0 | 114.3 | Y41 T42 Q46 | Y41-T44 HydrophobicContact CD1-CG2 3.74Å; Y41-T44 WeakPolarHBondContact CD1-OG1 3.42Å; Y41-T44 HydrophobicContact CE1-CG2 3.69Å; Y41-T44 PolarHBondContact O-N 3.02Å; Y41-T44 VanDerWaalsContact O-N 3.09Å; Y41-T44 PolarHBondContact O-OG1 2.89Å; T42-T44 PolarHBondContact O-N 2.79Å; T44-Q46 PolarHBondContact O-N 3.19Å; T44-Q46 WeakPolarHBondContact OG1-CB 3.42Å; T44-Q46 PolarHBondContact OG1-N 3Å; T44-Q46 VanDerWaalsContact OG1-N 3.16Å |
| 45 | G | 89.5 | Confident | 88.9 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 28% | 0.278 | 24% | 0.237 | S | C | . | . | trans | 74.9 | -1.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R40 Y41 | R40-G45 WeakPolarHBondContact CG-O 3.39Å; R40-G45 PolarHBondContact NH1-O 3.23Å; Y41-G45 PolarHBondContact O-N 3.26Å | ||
| 46 | Q | 91.8 | Very high | 88.5 | Confident | 98 Ų | 98 | 47.9 Ų | 47.9 | 46% | 0.458 | 24% | 0.244 | S | C | . | . | trans | -61.4 | 136.7 | 178.7 | -175.9 | 177 | -0.6 | 0 | 0 | 111.3 | R40 Y41 T44 Y83 | R40-Q46 CarbonylContact C-O 3.57Å; R40-Q46 WeakPolarHBondContact CA-O 3.3Å; Y41-Q46 PolarHBondContact N-O 3.31Å; T44-Q46 PolarHBondContact O-N 3.19Å; T44-Q46 WeakPolarHBondContact OG1-CB 3.42Å; T44-Q46 PolarHBondContact OG1-N 3Å; T44-Q46 VanDerWaalsContact OG1-N 3.16Å; Q46-Y83 PolarHBondContact NE2-OH 2.94Å; Q46-Y83 VanDerWaalsContact NE2-OH 3.15Å | ||
| 47 | L | 94.2 | Very high | 87.5 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 145.6 | 176.9 | -61.7 | 179.8 | 0 | 0 | 0 | 112.1 | I25 G39 R40 Y102 | I25-L47 HydrophobicContact CD1-CD2 4.18Å; G39-L47 WeakPolarHBondContact O-CA 3.45Å; R40-L47 HydrophobicContact CB-CD2 4.42Å; L47-Y102 HydrophobicContact CB-CD1 4.04Å; L47-Y102 HydrophobicContact CB-CG 4.17Å; L47-Y102 HydrophobicContact CD1-CD1 3.9Å; L47-Y102 HydrophobicContact CD1-CE1 4.1Å |
| 48 | A | 93.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 152.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | F22 G39 I50 Y83 M100 | F22-A48 HydrophobicContact CD1-CB 4.34Å; F22-A48 HydrophobicContact CE1-CB 3.76Å; G39-A48 PolarHBondContact N-O 3.33Å; G39-A48 PolarHBondContact O-N 3.05Å; A48-I50 HydrophobicContact CB-CG1 4.31Å; A48-Y83 HydrophobicContact CB-CD2 3.87Å; A48-Y83 HydrophobicContact CB-CE2 3.89Å; A48-M100 CarbonylContact C-O 3.53Å; A48-M100 VanDerWaalsContact CA-O 3.24Å; A48-M100 WeakPolarHBondContact CA-O 3.42Å; A48-M100 WeakPolarHBondContact CB-O 3.35Å |
| 49 | A | 93.2 | Very high | 85.1 | Confident | 11 Ų | 11 | 60 Ų | 60 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 137.8 | 157 | 0 | 0 | 0 | 0 | 0 | 107.8 | V36 Y37 A99 M100 Y102 | V36-A49 HydrophobicContact CG1-CB 4.11Å; Y37-A49 CarbonylContact O-C 3.55Å; Y37-A49 WeakPolarHBondContact O-CA 3.45Å; A49-A99 WeakPolarHBondContact O-CA 3.31Å; A49-M100 HydrophobicContact CB-CG 3.83Å; A49-M100 PolarHBondContact N-O 3.16Å; A49-M100 PolarHBondContact O-N 3.44Å; A49-Y102 HydrophobicContact CB-CD2 4.4Å |
| 50 | I | 91.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 106.7 | -178.5 | -56.4 | -176.7 | 0 | 0 | 0 | 107.4 | F22 L24 Y37 A48 V52 W97 L98 A99 | F22-I50 HydrophobicContact CB-CD1 3.64Å; F22-I50 HydrophobicContact CD1-CD1 3.72Å; F22-I50 HydrophobicContact CG-CD1 3.76Å; L24-I50 HydrophobicContact CD2-CB 4.23Å; L24-I50 HydrophobicContact CD2-CD1 4.07Å; L24-I50 HydrophobicContact CD2-CG2 4.22Å; Y37-I50 PolarHBondContact N-O 3.1Å; Y37-I50 PolarHBondContact O-N 3.49Å; A48-I50 HydrophobicContact CB-CG1 4.31Å; I50-V52 HydrophobicContact CG2-CG2 3.96Å; I50-W97 HydrophobicContact CD1-CE3 4.32Å; I50-W97 HydrophobicContact CD1-CZ3 4.48Å; I50-W97 HydrophobicContact CG2-CB 3.93Å; I50-W97 HydrophobicContact CG2-CD2 3.95Å; I50-W97 HydrophobicContact CG2-CE3 3.7Å; I50-W97 HydrophobicContact CG2-CG 4.08Å; I50-L98 WeakPolarHBondContact CA-O 3.42Å; I50-A99 HydrophobicContact CG1-CB 4.38Å |
| 51 | K | 86.7 | Confident | 82.6 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 8% | 0.078 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 113.9 | 175 | -171.8 | 178.3 | -175.4 | -175.4 | 0 | 108 | V36 M53 W97 L98 M100 D166 | V36-K51 HydrophobicContact CG2-CB 4.21Å; V36-K51 HydrophobicContact CG2-CG 4.03Å; K51-M53 HydrophobicContact CD-SD 3.84Å; K51-M53 VanDerWaalsContact CE-SD 3.5Å; K51-M53 HydrophobicContact CG-CG 3.95Å; K51-M53 HydrophobicContact CG-SD 3.93Å; K51-W97 WeakPolarHBondContact O-CA 3.31Å; K51-L98 HydrophobicContact CB-CB 4.33Å; K51-L98 PolarHBondContact N-O 3.38Å; K51-L98 PolarHBondContact O-N 3.49Å; K51-M100 HydrophobicContact CB-CE 4.21Å; K51-D166 IonicContact NZ-OD1 2.64Å; K51-D166 PolarHBondContact NZ-OD1 2.67Å |
| 52 | V | 86.6 | Confident | 81.4 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.7 | -177.1 | 179 | 0 | 0 | 0 | 0 | 108.5 | G34 N35 Y37 I50 H95 L96 W97 | G34-V52 CarbonylContact C-O 3.55Å; G34-V52 VanDerWaalsContact CA-O 3.24Å; G34-V52 WeakPolarHBondContact CA-O 3.26Å; N35-V52 PolarHBondContact N-O 3.31Å; N35-V52 VanDerWaalsContact N-O 3.09Å; N35-V52 PolarHBondContact O-N 2.95Å; Y37-V52 HydrophobicContact CD2-CB 4.11Å; Y37-V52 HydrophobicContact CD2-CG2 3.65Å; Y37-V52 HydrophobicContact CE2-CB 3.9Å; Y37-V52 HydrophobicContact CE2-CG2 3.87Å; I50-V52 HydrophobicContact CG2-CG2 3.96Å; V52-H95 HydrophobicContact CG1-CB 4.24Å; V52-L96 WeakPolarHBondContact CA-O 3.47Å; V52-W97 HydrophobicContact CG2-CD2 4.07Å; V52-W97 HydrophobicContact CG2-CG 4.01Å |
| 53 | M | 79.8 | Confident | 80.5 | Confident | 19 Ų | 19 | 65 Ų | 65 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 134.2 | -172 | -50.5 | -168.7 | -61.1 | 0 | 0 | 109.6 | Y33 K51 H95 L96 L98 | Y33-M53 VanDerWaalsContact O-CB 3.24Å; Y33-M53 WeakPolarHBondContact O-CB 3.19Å; Y33-M53 WeakPolarHBondContact O-CG 3.41Å; K51-M53 HydrophobicContact CD-SD 3.84Å; K51-M53 VanDerWaalsContact CE-SD 3.5Å; K51-M53 HydrophobicContact CG-CG 3.95Å; K51-M53 HydrophobicContact CG-SD 3.93Å; M53-H95 CarbonylContact O-C 3.56Å; M53-H95 WeakPolarHBondContact O-CA 3.49Å; M53-L96 HydrophobicContact CE-CD2 3.83Å; M53-L96 PolarHBondContact N-O 3.01Å; M53-L96 PolarHBondContact O-N 3.01Å; M53-L98 HydrophobicContact CE-CD1 3.68Å; M53-L98 HydrophobicContact CE-CG 4.28Å |
| 54 | P | 77.9 | Confident | 79.8 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 49% | 0.494 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 145.4 | 172.4 | 30.1 | -34.3 | 0 | 0 | 0 | 110.4 | ||
| 55 | I | 76.2 | Confident | 78.7 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | trans | -107.3 | 142.2 | 179.2 | -51.7 | 174.5 | 0 | 0 | 0 | 109.8 | L12 I63 I87 D94 L96 | L12-I55 HydrophobicContact CD1-CG2 4.26Å; I55-I63 HydrophobicContact CG1-CD1 4.24Å; I55-I63 HydrophobicContact CG2-CD1 3.85Å; I55-I87 HydrophobicContact CD1-CD1 3.74Å; I55-I87 HydrophobicContact CD1-CG1 3.9Å; I55-I87 HydrophobicContact CD1-CG2 4.28Å; I55-D94 PolarHBondContact N-O 3.24Å; I55-L96 HydrophobicContact CD1-CB 3.76Å; I55-L96 HydrophobicContact CD1-CD1 4.42Å; I55-L96 HydrophobicContact CG1-CB 3.77Å | ||
| 56 | T | 73.5 | Confident | 77.7 | Confident | 70 Ų | 70 | 57.8 Ų | 57.8 | 43% | 0.429 | 29% | 0.29 | S | S | . | . | trans | -115.7 | 159.7 | 157.6 | 80.7 | 0 | 0 | 0 | 0 | 111 | E58 D59 | T56-E58 PolarHBondContact O-N 2.76Å; T56-E58 VanDerWaalsContact O-N 3.15Å; T56-E58 PolarHBondContact OG1-N 2.95Å; T56-D59 WeakPolarHBondContact CA-OD2 3.5Å; T56-D59 VanDerWaalsContact CB-OD2 3.31Å; T56-D59 WeakPolarHBondContact CB-OD2 3.27Å; T56-D59 PolarHBondContact N-OD2 3.21Å; T56-D59 PolarHBondContact O-N 3.15Å; T56-D59 PolarHBondContact OG1-OD2 3.07Å | ||
| 57 | E | 68.8 | Low | 77 | Confident | 194 Ų | 194 | 53.2 Ų | 53.2 | 91% | 0.907 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.3 | 173.4 | -63 | -173 | 166.3 | 0 | 0 | 113.1 | D59 | E57-D59 VanDerWaalsContact C-N 3.26Å; E57-D59 PolarHBondContact O-N 2.77Å |
| 58 | E | 65.8 | Low | 76.2 | Confident | 129 Ų | 129 | 53.4 Ų | 53.4 | 60% | 0.603 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19.4 | 175.8 | -68 | -167.5 | -136.3 | 0 | 0 | 112.8 | T56 K1657 | T56-E58 PolarHBondContact O-N 2.76Å; T56-E58 VanDerWaalsContact O-N 3.15Å; T56-E58 PolarHBondContact OG1-N 2.95Å; E58-K1657 IonicContact OE1-NZ 3.52Å; E58-K1657 PolarHBondContact OE1-NZ 2.73Å; E58-K1657 IonicContact OE2-NZ 2.76Å; E58-K1657 PolarHBondContact OE2-NZ 2.82Å |
| 59 | D | 68.5 | Low | 75.2 | Confident | 60 Ų | 60 | 53.9 Ų | 53.9 | 32% | 0.321 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -96.5 | -11.3 | -169 | -55.3 | -55.4 | 0 | 0 | 0 | 114.4 | T56 E57 E61 E62 I63 | T56-D59 WeakPolarHBondContact CA-OD2 3.5Å; T56-D59 VanDerWaalsContact CB-OD2 3.31Å; T56-D59 WeakPolarHBondContact CB-OD2 3.27Å; T56-D59 PolarHBondContact N-OD2 3.21Å; T56-D59 PolarHBondContact O-N 3.15Å; T56-D59 PolarHBondContact OG1-OD2 3.07Å; E57-D59 VanDerWaalsContact C-N 3.26Å; E57-D59 PolarHBondContact O-N 2.77Å; D59-E61 PolarHBondContact O-N 2.54Å; D59-E62 WeakPolarHBondContact O-CB 3.49Å; D59-E62 PolarHBondContact O-N 2.71Å; D59-I63 HydrophobicContact CB-CD1 3.79Å; D59-I63 HydrophobicContact CB-CG1 4.28Å; D59-I63 PolarHBondContact O-N 2.84Å |
| 60 | E | 67.7 | Low | 74.4 | Confident | 59 Ų | 59 | 54.2 Ų | 54.2 | 28% | 0.276 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.9 | -46 | -169.1 | 169.2 | 165.3 | -134.9 | 0 | 0 | 114 | N11 L12 E62 K64 | N11-E60 PolarHBondContact OD1-OE1 2.78Å; L12-E60 WeakPolarHBondContact CB-OE1 3.25Å; L12-E60 HydrophobicContact CD1-CB 3.71Å; L12-E60 HydrophobicContact CD1-CG 3.69Å; L12-E60 HydrophobicContact CG-CB 4.36Å; L12-E60 HydrophobicContact CG-CG 3.77Å; L12-E60 VanDerWaalsContact CG-OE1 3.31Å; L12-E60 WeakPolarHBondContact CG-OE1 3.44Å; L12-E60 PolarHBondContact N-OE1 2.87Å; E60-E62 PolarHBondContact O-N 3.1Å; E60-K64 HydrophobicContact CG-CD 4.06Å; E60-K64 WeakPolarHBondContact O-CG 3.09Å; E60-K64 PolarHBondContact O-N 2.89Å; E60-K64 WeakPolarHBondContact OE1-CE 3.38Å; E60-K64 IonicContact OE1-NZ 3.55Å; E60-K64 PolarHBondContact OE1-NZ 2.89Å; E60-K64 IonicContact OE2-NZ 2.93Å |
| 61 | E | 67.3 | Low | 73.9 | Confident | 166 Ų | 166 | 57.5 Ų | 57.5 | 78% | 0.776 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.1 | -32.5 | 178.4 | -68.1 | -174.5 | 172.8 | 0 | 0 | 112 | D59 L65 | D59-E61 PolarHBondContact O-N 2.54Å; E61-L65 WeakPolarHBondContact O-CB 3.35Å; E61-L65 PolarHBondContact O-N 2.87Å |
| 62 | E | 66.9 | Low | 73.7 | Confident | 76 Ų | 76 | 63.1 Ų | 63.1 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -78.9 | -43.5 | -178.3 | -173.1 | 153.9 | 160.9 | 0 | 0 | 111.2 | D59 E60 L65 E66 R180 | D59-E62 WeakPolarHBondContact O-CB 3.49Å; D59-E62 PolarHBondContact O-N 2.71Å; E60-E62 PolarHBondContact O-N 3.1Å; E62-L65 PolarHBondContact O-N 2.83Å; E62-E66 PolarHBondContact O-N 2.87Å; E62-R180 IonicContact OE1-CZ 2.77Å; E62-R180 IonicContact OE1-NE 3.51Å; E62-R180 PolarHBondContact OE1-NE 2.77Å; E62-R180 IonicContact OE1-NH2 3.12Å; E62-R180 PolarHBondContact OE1-NH2 3.36Å; E62-R180 IonicContact OE2-NE 3.58Å; E62-R180 IonicContact OE2-NH2 2.66Å |
| 63 | I | 71.5 | Confident | 73.4 | Confident | 17 Ų | 17 | 62.4 Ų | 62.4 | 9% | 0.087 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 175.1 | -71.7 | 168 | 0 | 0 | 0 | 111.3 | L12 I55 D59 L65 E66 I67 L96 | L12-I63 HydrophobicContact CD2-CG2 3.79Å; I55-I63 HydrophobicContact CG1-CD1 4.24Å; I55-I63 HydrophobicContact CG2-CD1 3.85Å; D59-I63 HydrophobicContact CB-CD1 3.79Å; D59-I63 HydrophobicContact CB-CG1 4.28Å; D59-I63 PolarHBondContact O-N 2.84Å; I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 PolarHBondContact O-N 2.97Å; I63-E66 PolarHBondContact O-N 3.06Å; I63-I67 HydrophobicContact CG2-CD1 3.62Å; I63-I67 HydrophobicContact CG2-CG1 4.38Å; I63-I67 WeakPolarHBondContact O-CB 3.41Å; I63-I67 VanDerWaalsContact O-CG1 3.29Å; I63-I67 WeakPolarHBondContact O-CG1 3.37Å; I63-I67 PolarHBondContact O-N 2.84Å; I63-L96 HydrophobicContact CD1-CD2 4.37Å; I63-L96 HydrophobicContact CG1-CD2 4.27Å; I63-L96 HydrophobicContact CG2-CD1 4.13Å; I63-L96 HydrophobicContact CG2-CD2 3.53Å; I63-L96 HydrophobicContact CG2-CG 4.47Å |
| 64 | K | 72.6 | Confident | 73.5 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 16% | 0.157 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 176.2 | -74 | 172.4 | -176.3 | 165.4 | 0 | 111.6 | T10 L12 E60 E66 I67 D68 | T10-K64 WeakPolarHBondContact O-CE 3.31Å; T10-K64 PolarHBondContact O-NZ 2.81Å; L12-K64 HydrophobicContact CD2-CG 4.46Å; E60-K64 HydrophobicContact CG-CD 4.06Å; E60-K64 WeakPolarHBondContact O-CG 3.09Å; E60-K64 PolarHBondContact O-N 2.89Å; E60-K64 WeakPolarHBondContact OE1-CE 3.38Å; E60-K64 IonicContact OE1-NZ 3.55Å; E60-K64 PolarHBondContact OE1-NZ 2.89Å; E60-K64 IonicContact OE2-NZ 2.93Å; K64-E66 PolarHBondContact O-N 2.99Å; K64-I67 PolarHBondContact O-N 3.39Å; K64-D68 PolarHBondContact O-N 2.95Å |
| 65 | L | 68.5 | Low | 73.8 | Confident | 52 Ų | 52 | 65.6 Ų | 65.6 | 27% | 0.272 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68 | -34.6 | -179.7 | -155.5 | 112.5 | 0 | 0 | 0 | 112.4 | E61 E62 I63 T69 Q172 | E61-L65 WeakPolarHBondContact O-CB 3.35Å; E61-L65 PolarHBondContact O-N 2.87Å; E62-L65 PolarHBondContact O-N 2.83Å; I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 PolarHBondContact O-N 2.97Å; L65-T69 VanDerWaalsContact O-CB 3.3Å; L65-T69 WeakPolarHBondContact O-CB 3.36Å; L65-T69 PolarHBondContact O-N 2.98Å; L65-T69 PolarHBondContact O-OG1 2.88Å; L65-Q172 HydrophobicContact CD2-CG 4.22Å |
| 66 | E | 70.2 | Confident | 74.6 | Confident | 36 Ų | 36 | 66.8 Ų | 66.8 | 17% | 0.168 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.7 | -48.7 | 170.8 | -170.4 | -177.6 | -178.5 | 0 | 0 | 111.1 | E62 I63 K64 D68 T69 L70 G168 | E62-E66 PolarHBondContact O-N 2.87Å; I63-E66 PolarHBondContact O-N 3.06Å; K64-E66 PolarHBondContact O-N 2.99Å; E66-D68 PolarHBondContact O-N 2.87Å; E66-T69 CarbonylContact O-C 3.53Å; E66-T69 WeakPolarHBondContact O-CA 3.3Å; E66-T69 WeakPolarHBondContact O-CB 3.47Å; E66-T69 PolarHBondContact O-N 2.84Å; E66-T69 VanDerWaalsContact O-N 3.13Å; E66-L70 HydrophobicContact CG-CD1 3.89Å; E66-L70 HydrophobicContact CG-CG 4.33Å; E66-L70 WeakPolarHBondContact O-CB 3.46Å; E66-L70 WeakPolarHBondContact O-CG 3.4Å; E66-L70 PolarHBondContact O-N 2.81Å; E66-G168 WeakPolarHBondContact OE1-CA 2.97Å |
| 67 | I | 76.1 | Confident | 75.6 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.4 | -48.2 | 179 | -76.8 | 169 | 0 | 0 | 0 | 111.8 | I9 L15 I63 K64 T69 L70 K71 A85 L96 L98 | I9-I67 HydrophobicContact CD1-CG2 4.4Å; L15-I67 HydrophobicContact CD1-CD1 4.24Å; I63-I67 HydrophobicContact CG2-CD1 3.62Å; I63-I67 HydrophobicContact CG2-CG1 4.38Å; I63-I67 WeakPolarHBondContact O-CB 3.41Å; I63-I67 VanDerWaalsContact O-CG1 3.29Å; I63-I67 WeakPolarHBondContact O-CG1 3.37Å; I63-I67 PolarHBondContact O-N 2.84Å; K64-I67 PolarHBondContact O-N 3.39Å; I67-T69 VanDerWaalsContact C-N 3.32Å; I67-T69 PolarHBondContact O-N 2.86Å; I67-L70 PolarHBondContact O-N 3.45Å; I67-K71 HydrophobicContact CG2-CD 4.34Å; I67-K71 WeakPolarHBondContact O-CG 3.35Å; I67-K71 PolarHBondContact O-N 3.14Å; I67-A85 HydrophobicContact CD1-CB 3.57Å; I67-A85 HydrophobicContact CG1-CB 3.92Å; I67-L96 HydrophobicContact CD1-CD1 4.34Å; I67-L98 HydrophobicContact CD1-CD2 4.42Å; I67-L98 HydrophobicContact CG1-CD2 3.93Å |
| 68 | D | 76.9 | Confident | 76.8 | Confident | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.332 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.9 | -28.8 | -179.7 | -71.2 | -21.2 | 0 | 0 | 0 | 112.5 | K64 E66 K71 K72 | K64-D68 PolarHBondContact O-N 2.95Å; E66-D68 PolarHBondContact O-N 2.87Å; D68-K71 WeakPolarHBondContact OD1-CD 3.32Å; D68-K71 WeakPolarHBondContact OD1-CE 3.42Å; D68-K71 IonicContact OD1-NZ 2.65Å; D68-K71 PolarHBondContact OD1-NZ 3.22Å; D68-K72 VanDerWaalsContact O-CB 3.3Å; D68-K72 WeakPolarHBondContact O-CB 3.23Å; D68-K72 PolarHBondContact O-N 2.8Å; D68-K72 VanDerWaalsContact O-N 3.11Å |
| 69 | T | 72.6 | Confident | 78.1 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 169.9 | -58.4 | 0 | 0 | 0 | 0 | 111 | L65 E66 I67 K72 L73 V144 Q172 | L65-T69 VanDerWaalsContact O-CB 3.3Å; L65-T69 WeakPolarHBondContact O-CB 3.36Å; L65-T69 PolarHBondContact O-N 2.98Å; L65-T69 PolarHBondContact O-OG1 2.88Å; E66-T69 CarbonylContact O-C 3.53Å; E66-T69 WeakPolarHBondContact O-CA 3.3Å; E66-T69 WeakPolarHBondContact O-CB 3.47Å; E66-T69 PolarHBondContact O-N 2.84Å; E66-T69 VanDerWaalsContact O-N 3.13Å; I67-T69 VanDerWaalsContact C-N 3.32Å; I67-T69 PolarHBondContact O-N 2.86Å; T69-K72 PolarHBondContact O-N 3.46Å; T69-L73 HydrophobicContact CG2-CD1 3.52Å; T69-L73 HydrophobicContact CG2-CG 4.35Å; T69-L73 WeakPolarHBondContact O-CB 3.35Å; T69-L73 VanDerWaalsContact O-CG 3.25Å; T69-L73 WeakPolarHBondContact O-CG 3.13Å; T69-L73 PolarHBondContact O-N 2.67Å; T69-V144 HydrophobicContact CG2-CG1 4.39Å; T69-V144 HydrophobicContact CG2-CG2 4.34Å; T69-Q172 PolarHBondContact OG1-NE2 3.23Å |
| 70 | L | 77.4 | Confident | 79.1 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -48.8 | 175.7 | -75.5 | 164.6 | 0 | 0 | 0 | 111.9 | E66 I67 K72 L73 S74 Y82 L98 F167 | E66-L70 HydrophobicContact CG-CD1 3.89Å; E66-L70 HydrophobicContact CG-CG 4.33Å; E66-L70 WeakPolarHBondContact O-CB 3.46Å; E66-L70 WeakPolarHBondContact O-CG 3.4Å; E66-L70 PolarHBondContact O-N 2.81Å; I67-L70 PolarHBondContact O-N 3.45Å; L70-K72 VanDerWaalsContact C-N 3.3Å; L70-K72 PolarHBondContact O-N 2.98Å; L70-L73 PolarHBondContact O-N 2.91Å; L70-S74 WeakPolarHBondContact O-CB 3.32Å; L70-S74 PolarHBondContact O-N 3.27Å; L70-S74 PolarHBondContact O-OG 3.13Å; L70-Y82 HydrophobicContact CB-CD2 3.76Å; L70-Y82 HydrophobicContact CB-CE2 4.21Å; L70-Y82 HydrophobicContact CB-CG 4.11Å; L70-Y82 HydrophobicContact CD1-CD2 4.18Å; L70-Y82 HydrophobicContact CD1-CE2 4.34Å; L70-Y82 HydrophobicContact CG-CD2 4.47Å; L70-L98 HydrophobicContact CD1-CD1 4.14Å; L70-F167 HydrophobicContact CD2-CE1 4.35Å; L70-F167 HydrophobicContact CD2-CE2 3.7Å; L70-F167 HydrophobicContact CD2-CZ 3.59Å; L70-F167 HydrophobicContact CG-CE2 4.43Å |
| 71 | K | 81.2 | Confident | 80.2 | Confident | 69 Ų | 69 | 50.4 Ų | 50.4 | 30% | 0.3 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -52.6 | -47.6 | 174.4 | -74.2 | 174.3 | -167 | 162.7 | 0 | 111.5 | I9 I67 D68 Y82 | I9-K71 VanDerWaalsContact CD1-NZ 3.28Å; I67-K71 HydrophobicContact CG2-CD 4.34Å; I67-K71 WeakPolarHBondContact O-CG 3.35Å; I67-K71 PolarHBondContact O-N 3.14Å; D68-K71 WeakPolarHBondContact OD1-CD 3.32Å; D68-K71 WeakPolarHBondContact OD1-CE 3.42Å; D68-K71 IonicContact OD1-NZ 2.65Å; D68-K71 PolarHBondContact OD1-NZ 3.22Å; K71-Y82 HydrophobicContact CG-CD1 4.04Å; K71-Y82 HydrophobicContact CG-CE1 3.52Å |
| 72 | K | 81 | Confident | 81.2 | Confident | 137 Ų | 137 | 44.2 Ų | 44.2 | 60% | 0.596 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -71.3 | -38.7 | -174.3 | -174.7 | -178.7 | 175.6 | -169.7 | 0 | 113.6 | D68 T69 L70 N142 | D68-K72 VanDerWaalsContact O-CB 3.3Å; D68-K72 WeakPolarHBondContact O-CB 3.23Å; D68-K72 PolarHBondContact O-N 2.8Å; D68-K72 VanDerWaalsContact O-N 3.11Å; T69-K72 PolarHBondContact O-N 3.46Å; L70-K72 VanDerWaalsContact C-N 3.3Å; L70-K72 PolarHBondContact O-N 2.98Å; K72-N142 WeakPolarHBondContact CE-OD1 3.23Å |
| 73 | L | 81.2 | Confident | 82.2 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -98.5 | -19.4 | -169.2 | -58.6 | 177.2 | 0 | 0 | 0 | 114.6 | T69 L70 N75 I79 H138 L139 N142 V144 F167 | T69-L73 HydrophobicContact CG2-CD1 3.52Å; T69-L73 HydrophobicContact CG2-CG 4.35Å; T69-L73 WeakPolarHBondContact O-CB 3.35Å; T69-L73 VanDerWaalsContact O-CG 3.25Å; T69-L73 WeakPolarHBondContact O-CG 3.13Å; T69-L73 PolarHBondContact O-N 2.67Å; L70-L73 PolarHBondContact O-N 2.91Å; L73-N75 PolarHBondContact O-N 3.42Å; L73-I79 WeakPolarHBondContact O-CD1 3.5Å; L73-H138 PolarHBondContact O-NE2 3.47Å; L73-L139 HydrophobicContact CB-CD2 4.18Å; L73-L139 HydrophobicContact CD1-CD2 3.65Å; L73-L139 HydrophobicContact CG-CD2 4.38Å; L73-N142 HydrophobicContact CD2-CB 3.36Å; L73-N142 VanDerWaalsContact CD2-CG 3.43Å; L73-V144 HydrophobicContact CD1-CB 3.85Å; L73-V144 HydrophobicContact CD1-CG1 3.78Å; L73-V144 HydrophobicContact CD1-CG2 3.83Å; L73-F167 HydrophobicContact CB-CE2 4.48Å; L73-F167 HydrophobicContact CD1-CE2 4.33Å |
| 74 | S | 82 | Confident | 82.9 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | trans | -70.1 | -11.4 | -174.8 | 59.2 | 0 | 0 | 0 | 0 | 115 | L70 H76 Y82 | L70-S74 WeakPolarHBondContact O-CB 3.32Å; L70-S74 PolarHBondContact O-N 3.27Å; L70-S74 PolarHBondContact O-OG 3.13Å; S74-H76 PolarHBondContact O-N 2.75Å; S74-Y82 VanDerWaalsContact CB-N 3.3Å; S74-Y82 WeakPolarHBondContact OG-CB 3.48Å; S74-Y82 PolarHBondContact OG-N 3.06Å | ||
| 75 | N | 84 | Confident | 83.6 | Confident | 149 Ų | 149 | 43 Ų | 43 | 80% | 0.797 | 21% | 0.209 | S | C | * | . | trans | -78.1 | 56.7 | 175.6 | -168.6 | 19 | 0 | 0 | 0 | 112.1 | L73 | L73-N75 PolarHBondContact O-N 3.42Š| ||
| 76 | H | 92.5 | Very high | 84.5 | Confident | 45 Ų | 45 | 41.6 Ų | 41.6 | 21% | 0.208 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -147.5 | 135 | 177.5 | -175.1 | -108.8 | 0 | 0 | 0 | 111.5 | S74 N78 I79 R134 H138 | S74-H76 PolarHBondContact O-N 2.75Å; H76-N78 PolarHBondContact ND1-N 2.81Å; H76-N78 PolarHBondContact O-N 2.74Å; H76-N78 VanDerWaalsContact O-N 3.07Å; H76-I79 HydrophobicContact CB-CB 4.34Å; H76-I79 HydrophobicContact CB-CD1 4.02Å; H76-I79 HydrophobicContact CB-CG1 4.17Å; H76-I79 PolarHBondContact O-N 3.48Å; H76-I79 VanDerWaalsContact O-O 3.14Å; H76-R134 PolarHBondContact CE1-O 2.88Å; H76-R134 VanDerWaalsContact CE1-O 3.26Å; H76-H138 HydrophobicContact CB-CB 4.44Å; H76-H138 AromaticContact CD2-ND1 3.98Å; H76-H138 AromaticContact CG-CG 3.87Å |
| 77 | R | 94.1 | Very high | 85.3 | Confident | 119 Ų | 119 | 40.3 Ų | 40.3 | 45% | 0.449 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -31.8 | -174.3 | 54.9 | 169.3 | -80.9 | 152 | -7.2 | 114.9 | E131 K163 | R77-E131 IonicContact CZ-OE2 2.71Å; R77-E131 IonicContact NE-OE2 3.03Å; R77-E131 IonicContact NH2-OE2 2.68Å; R77-E131 PolarHBondContact NH2-OE2 2.79Å; R77-K163 VanDerWaalsContact O-CE 3.31Å; R77-K163 WeakPolarHBondContact O-CE 3.49Å; R77-K163 WeakPolarHBondContact O-CG 3.44Å; R77-K163 PolarHBondContact O-NZ 3.05Å |
| 78 | N | 95.5 | Very high | 85.8 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.011 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 19.9 | -179.6 | -55.9 | 111.6 | 0 | 0 | 0 | 113.5 | H76 E131 R134 V162 K163 L164 | H76-N78 PolarHBondContact ND1-N 2.81Å; H76-N78 PolarHBondContact O-N 2.74Å; H76-N78 VanDerWaalsContact O-N 3.07Å; N78-E131 WeakPolarHBondContact CB-O 3.29Å; N78-E131 PolarHBondContact ND2-OE2 3.07Å; N78-E131 PolarHBondContact OD1-OE2 2.77Å; N78-R134 HydrophobicContact CB-CB 4.47Å; N78-R134 VanDerWaalsContact OD1-CB 3.23Å; N78-R134 WeakPolarHBondContact OD1-CB 3.44Å; N78-V162 WeakPolarHBondContact CA-O 3.04Å; N78-V162 PolarHBondContact ND2-O 3.4Å; N78-K163 WeakPolarHBondContact O-CA 3.45Å; N78-L164 PolarHBondContact O-N 3.45Å |
| 79 | I | 92.2 | Very high | 86 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -121.3 | 150.4 | 168.2 | -60.9 | 177.6 | 0 | 0 | 0 | 106.5 | L73 H76 H138 L139 K163 F167 | L73-I79 WeakPolarHBondContact O-CD1 3.5Å; H76-I79 HydrophobicContact CB-CB 4.34Å; H76-I79 HydrophobicContact CB-CD1 4.02Å; H76-I79 HydrophobicContact CB-CG1 4.17Å; H76-I79 PolarHBondContact O-N 3.48Å; H76-I79 VanDerWaalsContact O-O 3.14Å; I79-H138 HydrophobicContact CD1-CB 4.47Å; I79-L139 HydrophobicContact CD1-CD2 3.76Å; I79-L139 HydrophobicContact CD1-CG 4.05Å; I79-K163 PolarHBondContact O-NZ 2.81Å; I79-F167 HydrophobicContact CG2-CE1 3.63Å; I79-F167 HydrophobicContact CG2-CZ 3.83Å |
| 80 | A | 90.5 | Very high | 86 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 128.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y82 E101 L164 V165 | A80-Y82 PolarHBondContact O-N 2.73Å; A80-E101 HydrophobicContact CB-CB 4.4Å; A80-L164 PolarHBondContact N-O 2.93Å; A80-L164 VanDerWaalsContact N-O 3.12Å; A80-V165 HydrophobicContact CB-CG1 3.72Å |
| 81 | S | 90.6 | Very high | 85.6 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 28% | 0.28 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 128.8 | -179.2 | -48.3 | 0 | 0 | 0 | 0 | 110.2 | M100 E101 | S81-M100 CarbonylContact O-C 3.53Å; S81-M100 VanDerWaalsContact O-CA 3.23Å; S81-M100 WeakPolarHBondContact O-CA 3.32Å; S81-E101 VanDerWaalsContact CB-OE2 3.28Å; S81-E101 WeakPolarHBondContact CB-OE2 3.37Å; S81-E101 PolarHBondContact N-OE2 3.13Å; S81-E101 PolarHBondContact O-N 3.41Å; S81-E101 PolarHBondContact OG-OE2 3.47Å |
| 82 | Y | 88.5 | Confident | 85.1 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 15% | 0.145 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 131.4 | 173.1 | 168 | -90.1 | 0 | 0 | 0 | 109.1 | L70 K71 S74 A80 G84 A85 L98 | L70-Y82 HydrophobicContact CB-CD2 3.76Å; L70-Y82 HydrophobicContact CB-CE2 4.21Å; L70-Y82 HydrophobicContact CB-CG 4.11Å; L70-Y82 HydrophobicContact CD1-CD2 4.18Å; L70-Y82 HydrophobicContact CD1-CE2 4.34Å; L70-Y82 HydrophobicContact CG-CD2 4.47Å; K71-Y82 HydrophobicContact CG-CD1 4.04Å; K71-Y82 HydrophobicContact CG-CE1 3.52Å; S74-Y82 VanDerWaalsContact CB-N 3.3Å; S74-Y82 WeakPolarHBondContact OG-CB 3.48Å; S74-Y82 PolarHBondContact OG-N 3.06Å; A80-Y82 PolarHBondContact O-N 2.73Å; Y82-G84 VanDerWaalsContact OH-C 3.28Å; Y82-A85 HydrophobicContact CE2-CB 4.46Å; Y82-A85 VanDerWaalsContact OH-CB 3.27Å; Y82-A85 WeakPolarHBondContact OH-CB 3.41Å; Y82-A85 PolarHBondContact OH-N 3.15Å; Y82-L98 HydrophobicContact CE2-CD2 4.4Å |
| 83 | Y | 87.9 | Confident | 84.6 | Confident | 85 Ų | 85 | 54.6 Ų | 54.6 | 33% | 0.333 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -29.6 | -179.1 | -61.2 | -29.4 | 0 | 0 | 0 | 112.8 | Q46 A48 A99 M100 | Q46-Y83 PolarHBondContact NE2-OH 2.94Å; Q46-Y83 VanDerWaalsContact NE2-OH 3.15Å; A48-Y83 HydrophobicContact CB-CD2 3.87Å; A48-Y83 HydrophobicContact CB-CE2 3.89Å; Y83-A99 PolarHBondContact N-O 2.68Å; Y83-M100 WeakPolarHBondContact CD2-O 3.34Å; Y83-M100 WeakPolarHBondContact CE2-O 3.45Å |
| 84 | G | 85.8 | Confident | 84.7 | Confident | 9 Ų | 9 | 56.9 Ų | 56.9 | 9% | 0.093 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.2 | 168.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y82 A99 | Y82-G84 VanDerWaalsContact OH-C 3.28Å; G84-A99 PolarHBondContact N-O 2.96Å; G84-A99 PolarHBondContact O-N 3.32Å |
| 85 | A | 87.1 | Confident | 84.9 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | L15 I67 Y82 L96 W97 L98 | L15-A85 HydrophobicContact CD2-CB 3.79Å; L15-A85 WeakPolarHBondContact CD2-O 3.44Å; I67-A85 HydrophobicContact CD1-CB 3.57Å; I67-A85 HydrophobicContact CG1-CB 3.92Å; Y82-A85 HydrophobicContact CE2-CB 4.46Å; Y82-A85 VanDerWaalsContact OH-CB 3.27Å; Y82-A85 WeakPolarHBondContact OH-CB 3.41Å; Y82-A85 PolarHBondContact OH-N 3.15Å; A85-L96 HydrophobicContact CB-CD1 4.45Å; A85-W97 WeakPolarHBondContact CA-O 3.04Å; A85-L98 HydrophobicContact CB-CD2 3.81Å |
| 86 | F | 88 | Confident | 84.9 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 10% | 0.101 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 149.2 | -175.3 | -55.3 | -89 | 0 | 0 | 0 | 107.8 | R16 P18 I21 F22 W97 A99 | R16-F86 HydrophobicContact CB-CD1 4.31Å; R16-F86 VanDerWaalsContact O-CA 3.24Å; R16-F86 WeakPolarHBondContact O-CA 3.33Å; R16-F86 VanDerWaalsContact O-CB 3.24Å; R16-F86 WeakPolarHBondContact O-CB 3.3Å; P18-F86 HydrophobicContact CB-CB 3.75Å; P18-F86 HydrophobicContact CB-CG 4.11Å; P18-F86 HydrophobicContact CG-CB 4.08Å; I21-F86 HydrophobicContact CD1-CD1 4.05Å; I21-F86 HydrophobicContact CD1-CE1 3.77Å; I21-F86 HydrophobicContact CG2-CE1 4.11Å; I21-F86 HydrophobicContact CG2-CZ 4.28Å; F22-F86 HydrophobicContact CD2-CE2 4.05Å; F22-F86 HydrophobicContact CD2-CZ 4.26Å; F22-F86 HydrophobicContact CE2-CD2 4.45Å; F22-F86 AromaticContact CE2-CE2 3.6Å; F22-F86 HydrophobicContact CE2-CE2 3.6Å; F22-F86 AromaticContact CE2-CZ 3.73Å; F22-F86 HydrophobicContact CE2-CZ 3.73Å; F86-W97 HydrophobicContact CB-CB 4.18Å; F86-W97 PolarHBondContact N-O 3.05Å; F86-W97 PolarHBondContact O-N 3.31Å; F86-A99 HydrophobicContact CD2-CB 4.37Å; F86-A99 HydrophobicContact CE2-CB 3.95Å |
| 87 | I | 86.1 | Confident | 84.7 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 116.5 | 171.4 | -65.8 | -177.1 | 0 | 0 | 0 | 108 | L12 L15 R16 D17 P18 I55 K89 D94 H95 L96 | L12-I87 HydrophobicContact CB-CD1 3.68Å; L12-I87 HydrophobicContact CD1-CD1 4.4Å; L12-I87 HydrophobicContact CD2-CD1 4.14Å; L12-I87 HydrophobicContact CG-CD1 4.26Å; L15-I87 HydrophobicContact CB-CD1 4.33Å; L15-I87 HydrophobicContact CB-CG1 3.99Å; L15-I87 HydrophobicContact CD1-CD1 3.84Å; L15-I87 HydrophobicContact CD1-CG1 3.82Å; R16-I87 PolarHBondContact O-N 3.33Å; R16-I87 VanDerWaalsContact O-N 3.1Å; D17-I87 WeakPolarHBondContact CA-O 3.4Å; P18-I87 WeakPolarHBondContact CD-O 3.18Å; I55-I87 HydrophobicContact CD1-CD1 3.74Å; I55-I87 HydrophobicContact CD1-CG1 3.9Å; I55-I87 HydrophobicContact CD1-CG2 4.28Å; I87-K89 HydrophobicContact CG2-CG 4.14Å; I87-K89 PolarHBondContact O-N 3.39Å; I87-D94 HydrophobicContact CG2-CB 4.01Å; I87-H95 WeakPolarHBondContact CA-O 3.28Å; I87-L96 HydrophobicContact CG1-CD1 4.12Å |
| 88 | K | 86 | Confident | 84.3 | Confident | 81 Ų | 81 | 45.6 Ų | 45.6 | 35% | 0.352 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 107.3 | 164.5 | -171 | -172.8 | 176.9 | -161.8 | 0 | 107.1 | P18 H95 W97 | P18-K88 HydrophobicContact CG-CB 3.84Å; K88-H95 PolarHBondContact N-O 3.28Å; K88-H95 PolarHBondContact O-N 3.03Å; K88-W97 HydrophobicContact CD-CZ2 3.94Å |
| 89 | K | 82.6 | Confident | 84 | Confident | 116 Ų | 116 | 45.5 Ų | 45.5 | 50% | 0.504 | 23% | 0.233 | S | C | . | . | trans | -68.7 | 135.1 | 173.5 | -58.7 | -141.3 | 174.1 | -151.9 | 0 | 109.7 | D13 I87 D94 | D13-K89 IonicContact OD1-NZ 3.29Å; D13-K89 PolarHBondContact OD1-NZ 3.39Å; I87-K89 HydrophobicContact CG2-CG 4.14Å; I87-K89 PolarHBondContact O-N 3.39Å; K89-D94 WeakPolarHBondContact CA-OD1 3.47Å; K89-D94 WeakPolarHBondContact CD-OD2 3.32Å; K89-D94 WeakPolarHBondContact CG-OD2 3.49Å; K89-D94 IonicContact NZ-OD2 2.86Å | ||
| 90 | S | 73 | Confident | 83.9 | Confident | 35 Ų | 35 | 47 Ų | 47 | 25% | 0.245 | 24% | 0.24 | C | C | . | . | trans | -160.4 | 132 | -174 | -71 | 0 | 0 | 0 | 0 | 110.5 | P92 R93 D94 | S90-P92 CarbonylContact O-C 3.57Å; S90-R93 CarbonylContact O-C 3.02Å; S90-R93 WeakPolarHBondContact O-CA 3.4Å; S90-R93 PolarHBondContact O-N 3.36Å; S90-R93 VanDerWaalsContact O-O 3.04Å; S90-D94 PolarHBondContact N-OD1 3.2Å | ||
| 91 | S | 68 | Low | 84 | Confident | 120 Ų | 120 | 48.3 Ų | 48.3 | 84% | 0.839 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -74.9 | 136.5 | 165.9 | -153.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 92 | P | 71.4 | Confident | 84.1 | Confident | 83 Ų | 83 | 49 Ų | 49 | 54% | 0.539 | 24% | 0.242 | S | C | . | . | S | Bend | cis | -85.3 | -14.8 | -0.1 | 35.1 | -40.1 | 0 | 0 | 0 | 115.5 | S90 E1210 | S90-P92 CarbonylContact O-C 3.57Å; P92-E1210 WeakPolarHBondContact CB-OE2 3.26Å; P92-E1210 WeakPolarHBondContact CG-OE2 3.49Å |
| 93 | R | 70.7 | Confident | 84.4 | Confident | 165 Ų | 165 | 47.8 Ų | 47.8 | 62% | 0.623 | 24% | 0.238 | S | C | * | . | trans | -136.4 | 134.4 | -174.6 | -61.3 | -177.7 | -169.8 | 159.4 | 8.3 | 113 | S90 H95 | S90-R93 CarbonylContact O-C 3.02Å; S90-R93 WeakPolarHBondContact O-CA 3.4Å; S90-R93 PolarHBondContact O-N 3.36Å; S90-R93 VanDerWaalsContact O-O 3.04Å; R93-H95 PolarHBondContact O-CE1 2.98Å; R93-H95 VanDerWaalsContact O-CE1 3.24Å; R93-H95 PolarHBondContact O-ND1 3.38Å | ||
| 94 | D | 83 | Confident | 84.5 | Confident | 49 Ų | 49 | 44.8 Ų | 44.8 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | trans | -67.4 | 144.3 | 174.6 | -82.9 | 9.5 | 0 | 0 | 0 | 111.5 | I55 I87 K89 S90 | I55-D94 PolarHBondContact N-O 3.24Å; I87-D94 HydrophobicContact CG2-CB 4.01Å; K89-D94 WeakPolarHBondContact CA-OD1 3.47Å; K89-D94 WeakPolarHBondContact CD-OD2 3.32Å; K89-D94 WeakPolarHBondContact CG-OD2 3.49Å; K89-D94 IonicContact NZ-OD2 2.86Å; S90-D94 PolarHBondContact N-OD1 3.2Å | ||
| 95 | H | 84.8 | Confident | 84.8 | Confident | 64 Ų | 64 | 45.6 Ų | 45.6 | 30% | 0.296 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.9 | -175.2 | -73.1 | 71.7 | 0 | 0 | 0 | 112 | V52 M53 I87 K88 R93 | V52-H95 HydrophobicContact CG1-CB 4.24Å; M53-H95 CarbonylContact O-C 3.56Å; M53-H95 WeakPolarHBondContact O-CA 3.49Å; I87-H95 WeakPolarHBondContact CA-O 3.28Å; K88-H95 PolarHBondContact N-O 3.28Å; K88-H95 PolarHBondContact O-N 3.03Å; R93-H95 PolarHBondContact O-CE1 2.98Å; R93-H95 VanDerWaalsContact O-CE1 3.24Å; R93-H95 PolarHBondContact O-ND1 3.38Å |
| 96 | L | 84.8 | Confident | 85 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130.3 | 170.6 | -170.7 | 70.8 | 0 | 0 | 0 | 109.8 | L15 V52 M53 I55 I63 I67 A85 I87 L98 | L15-L96 HydrophobicContact CD1-CD1 4.09Å; V52-L96 WeakPolarHBondContact CA-O 3.47Å; M53-L96 HydrophobicContact CE-CD2 3.83Å; M53-L96 PolarHBondContact N-O 3.01Å; M53-L96 PolarHBondContact O-N 3.01Å; I55-L96 HydrophobicContact CD1-CB 3.76Å; I55-L96 HydrophobicContact CD1-CD1 4.42Å; I55-L96 HydrophobicContact CG1-CB 3.77Å; I63-L96 HydrophobicContact CD1-CD2 4.37Å; I63-L96 HydrophobicContact CG1-CD2 4.27Å; I63-L96 HydrophobicContact CG2-CD1 4.13Å; I63-L96 HydrophobicContact CG2-CD2 3.53Å; I63-L96 HydrophobicContact CG2-CG 4.47Å; I67-L96 HydrophobicContact CD1-CD1 4.34Å; A85-L96 HydrophobicContact CB-CD1 4.45Å; I87-L96 HydrophobicContact CG1-CD1 4.12Å; L96-L98 HydrophobicContact CD2-CD1 4.34Å; L96-L98 HydrophobicContact CD2-CD2 3.84Å; L96-L98 HydrophobicContact CD2-CG 3.9Å; L96-L98 HydrophobicContact CG-CD2 4.18Å; L96-L98 HydrophobicContact CG-CG 4.25Å |
| 97 | W | 87.7 | Confident | 85.3 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 103.7 | 173.2 | -74.4 | 36.1 | 0 | 0 | 0 | 108.8 | P18 F22 L24 I50 K51 V52 A85 F86 K88 | P18-W97 HydrophobicContact CB-CD2 3.9Å; P18-W97 HydrophobicContact CB-CE3 3.38Å; P18-W97 HydrophobicContact CB-CG 4.46Å; P18-W97 HydrophobicContact CB-CH2 4.49Å; P18-W97 HydrophobicContact CB-CZ3 3.72Å; P18-W97 HydrophobicContact CG-CD2 3.54Å; P18-W97 HydrophobicContact CG-CE3 3.55Å; P18-W97 HydrophobicContact CG-CG 3.99Å; P18-W97 HydrophobicContact CG-CH2 4.25Å; P18-W97 HydrophobicContact CG-CZ2 4.27Å; P18-W97 HydrophobicContact CG-CZ3 3.91Å; F22-W97 HydrophobicContact CB-CZ3 4.37Å; L24-W97 HydrophobicContact CD1-CH2 3.77Å; L24-W97 HydrophobicContact CD1-CZ2 3.87Å; L24-W97 HydrophobicContact CD2-CE3 4.19Å; L24-W97 HydrophobicContact CD2-CH2 3.71Å; L24-W97 HydrophobicContact CD2-CZ2 4.3Å; L24-W97 HydrophobicContact CD2-CZ3 3.64Å; L24-W97 HydrophobicContact CG-CH2 3.56Å; L24-W97 HydrophobicContact CG-CZ2 4.17Å; L24-W97 HydrophobicContact CG-CZ3 3.98Å; I50-W97 HydrophobicContact CD1-CE3 4.32Å; I50-W97 HydrophobicContact CD1-CZ3 4.48Å; I50-W97 HydrophobicContact CG2-CB 3.93Å; I50-W97 HydrophobicContact CG2-CD2 3.95Å; I50-W97 HydrophobicContact CG2-CE3 3.7Å; I50-W97 HydrophobicContact CG2-CG 4.08Å; K51-W97 WeakPolarHBondContact O-CA 3.31Å; V52-W97 HydrophobicContact CG2-CD2 4.07Å; V52-W97 HydrophobicContact CG2-CG 4.01Å; A85-W97 WeakPolarHBondContact CA-O 3.04Å; F86-W97 HydrophobicContact CB-CB 4.18Å; F86-W97 PolarHBondContact N-O 3.05Å; F86-W97 PolarHBondContact O-N 3.31Å; K88-W97 HydrophobicContact CD-CZ2 3.94Å |
| 98 | L | 86 | Confident | 85.8 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 105.8 | 171.5 | -64.1 | 180 | 0 | 0 | 0 | 109.4 | I50 K51 M53 I67 L70 Y82 A85 L96 M100 | I50-L98 WeakPolarHBondContact CA-O 3.42Å; K51-L98 HydrophobicContact CB-CB 4.33Å; K51-L98 PolarHBondContact N-O 3.38Å; K51-L98 PolarHBondContact O-N 3.49Å; M53-L98 HydrophobicContact CE-CD1 3.68Å; M53-L98 HydrophobicContact CE-CG 4.28Å; I67-L98 HydrophobicContact CD1-CD2 4.42Å; I67-L98 HydrophobicContact CG1-CD2 3.93Å; L70-L98 HydrophobicContact CD1-CD1 4.14Å; Y82-L98 HydrophobicContact CE2-CD2 4.4Å; A85-L98 HydrophobicContact CB-CD2 3.81Å; L96-L98 HydrophobicContact CD2-CD1 4.34Å; L96-L98 HydrophobicContact CD2-CD2 3.84Å; L96-L98 HydrophobicContact CD2-CG 3.9Å; L96-L98 HydrophobicContact CG-CD2 4.18Å; L96-L98 HydrophobicContact CG-CG 4.25Å; L98-M100 HydrophobicContact CB-CE 4.34Å |
| 99 | A | 89.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F22 A49 I50 Y83 G84 F86 | F22-A99 HydrophobicContact CE1-CB 4.47Å; F22-A99 HydrophobicContact CE2-CB 4.01Å; F22-A99 HydrophobicContact CZ-CB 3.94Å; A49-A99 WeakPolarHBondContact O-CA 3.31Å; I50-A99 HydrophobicContact CG1-CB 4.38Å; Y83-A99 PolarHBondContact N-O 2.68Å; G84-A99 PolarHBondContact N-O 2.96Å; G84-A99 PolarHBondContact O-N 3.32Å; F86-A99 HydrophobicContact CD2-CB 4.37Å; F86-A99 HydrophobicContact CE2-CB 3.95Å |
| 100 | M | 90.4 | Very high | 86.6 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 15% | 0.148 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 175.8 | -176.6 | 69.2 | -173.1 | 76.3 | 0 | 0 | 112.3 | A48 A49 K51 S81 Y83 L98 Y102 | A48-M100 CarbonylContact C-O 3.53Å; A48-M100 VanDerWaalsContact CA-O 3.24Å; A48-M100 WeakPolarHBondContact CA-O 3.42Å; A48-M100 WeakPolarHBondContact CB-O 3.35Å; A49-M100 HydrophobicContact CB-CG 3.83Å; A49-M100 PolarHBondContact N-O 3.16Å; A49-M100 PolarHBondContact O-N 3.44Å; K51-M100 HydrophobicContact CB-CE 4.21Å; S81-M100 CarbonylContact O-C 3.53Å; S81-M100 VanDerWaalsContact O-CA 3.23Å; S81-M100 WeakPolarHBondContact O-CA 3.32Å; Y83-M100 WeakPolarHBondContact CD2-O 3.34Å; Y83-M100 WeakPolarHBondContact CE2-O 3.45Å; L98-M100 HydrophobicContact CB-CE 4.34Å; M100-Y102 PolarHBondContact O-N 3.07Å |
| 101 | E | 91.7 | Very high | 87.6 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 16% | 0.164 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 125.6 | -178.3 | -172.6 | 176.6 | 173.1 | 0 | 0 | 113.7 | A80 S81 C103 K163 | A80-E101 HydrophobicContact CB-CB 4.4Å; S81-E101 VanDerWaalsContact CB-OE2 3.28Å; S81-E101 WeakPolarHBondContact CB-OE2 3.37Å; S81-E101 PolarHBondContact N-OE2 3.13Å; S81-E101 PolarHBondContact O-N 3.41Å; S81-E101 PolarHBondContact OG-OE2 3.47Å; E101-C103 PolarHBondContact O-N 3.35Å; E101-K163 WeakPolarHBondContact OE1-CE 3.09Å; E101-K163 IonicContact OE1-NZ 3.09Å; E101-K163 PolarHBondContact OE1-NZ 3.05Å; E101-K163 WeakPolarHBondContact OE2-CE 3.19Å; E101-K163 IonicContact OE2-NZ 2.78Å; E101-K163 PolarHBondContact OE2-NZ 2.94Å |
| 102 | Y | 93.9 | Very high | 88.9 | Confident | 56 Ų | 56 | 32.3 Ų | 32.3 | 22% | 0.22 | 17% | 0.174 | C | C | . | . | trans | -77.2 | 111.4 | 178.5 | -174.8 | -109.8 | 0 | 0 | 0 | 112 | V28 K38 L47 A49 M100 G104 | V28-Y102 HydrophobicContact CG1-CE2 4.28Å; K38-Y102 HydrophobicContact CB-CD2 4.29Å; K38-Y102 HydrophobicContact CB-CE2 3.75Å; K38-Y102 HydrophobicContact CD-CE2 4.12Å; K38-Y102 HydrophobicContact CG-CD2 4.12Å; K38-Y102 HydrophobicContact CG-CE1 4.42Å; K38-Y102 HydrophobicContact CG-CE2 3.65Å; L47-Y102 HydrophobicContact CB-CD1 4.04Å; L47-Y102 HydrophobicContact CB-CG 4.17Å; L47-Y102 HydrophobicContact CD1-CD1 3.9Å; L47-Y102 HydrophobicContact CD1-CE1 4.1Å; A49-Y102 HydrophobicContact CB-CD2 4.4Å; M100-Y102 PolarHBondContact O-N 3.07Å; Y102-G104 VanDerWaalsContact CE1-CA 3.5Å; Y102-G104 PolarHBondContact O-N 2.94Å | ||
| 103 | C | 93.8 | Very high | 89.8 | Confident | 10 Ų | 10 | 35 Ų | 35 | 7% | 0.068 | 18% | 0.177 | C | C | . | . | trans | -93.6 | 83.3 | 177.5 | -63.5 | 0 | 0 | 0 | 0 | 110.5 | E101 A105 G106 L155 L156 | E101-C103 PolarHBondContact O-N 3.35Å; C103-A105 PolarHBondContact O-N 3.32Å; C103-A105 VanDerWaalsContact O-N 3.1Å; C103-G106 PolarHBondContact O-N 2.98Å; C103-L155 HydrophobicContact CB-CB 3.52Å; C103-L155 HydrophobicContact CB-CD1 3.83Å; C103-L155 HydrophobicContact CB-CG 4.34Å; C103-L156 CarbonylContact C-O 3.47Å; C103-L156 WeakPolarHBondContact CB-O 3.27Å | ||
| 104 | G | 90 | Very high | 90.6 | Very high | 23 Ų | 23 | 28.6 Ų | 28.6 | 24% | 0.237 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -7.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | Y102 | Y102-G104 VanDerWaalsContact CE1-CA 3.5Å; Y102-G104 PolarHBondContact O-N 2.94Å |
| 105 | A | 92.2 | Very high | 90.9 | Very high | 26 Ų | 26 | 26.9 Ų | 26.9 | 22% | 0.215 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 4.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C103 L156 I306 | C103-A105 PolarHBondContact O-N 3.32Å; C103-A105 VanDerWaalsContact O-N 3.1Å; A105-L156 HydrophobicContact CB-CB 3.77Å; A105-L156 WeakPolarHBondContact CB-O 3.48Å; A105-L156 PolarHBondContact N-O 2.81Å; A105-I306 HydrophobicContact CB-CD1 4.03Å; A105-I306 HydrophobicContact CB-CG1 4.24Å; A105-I306 HydrophobicContact CB-CG2 3.49Å; A105-I306 VanDerWaalsContact CB-CG2 3.49Å |
| 106 | G | 92.1 | Very high | 90.7 | Very high | 26 Ų | 26 | 36 Ų | 36 | 27% | 0.268 | 18% | 0.18 | S | C | . | . | trans | 80 | -162.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | C103 L155 L156 | C103-G106 PolarHBondContact O-N 2.98Å; G106-L155 WeakPolarHBondContact O-CA 3.35Å; G106-L156 PolarHBondContact O-N 2.86Å | ||
| 107 | S | 94.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -91 | 164.1 | -179.6 | 74.5 | 0 | 0 | 0 | 0 | 113.1 | A109 D110 L111 G151 Q152 V154 | S107-A109 PolarHBondContact O-N 3.32Å; S107-A109 PolarHBondContact OG-N 2.88Å; S107-D110 WeakPolarHBondContact CB-OD2 3.43Å; S107-D110 PolarHBondContact N-OD2 3.46Å; S107-D110 WeakPolarHBondContact O-CA 3.35Å; S107-D110 WeakPolarHBondContact O-CB 3.3Å; S107-D110 PolarHBondContact O-N 2.88Å; S107-D110 PolarHBondContact OG-N 2.81Å; S107-D110 PolarHBondContact OG-OD2 3.22Å; S107-L111 PolarHBondContact O-N 3.48Å; S107-G151 WeakPolarHBondContact CB-O 3.26Å; S107-Q152 WeakPolarHBondContact CB-O 3.17Å; S107-V154 CarbonylContact C-O 3.53Å; S107-V154 WeakPolarHBondContact CA-O 3.14Å |
| 108 | V | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -32.3 | 169.5 | 169.3 | 0 | 0 | 0 | 0 | 111 | D110 L111 I112 I128 G151 V154 L156 M221 | V108-D110 VanDerWaalsContact C-N 3.25Å; V108-D110 PolarHBondContact O-N 3.14Å; V108-L111 WeakPolarHBondContact O-CB 3.45Å; V108-L111 PolarHBondContact O-N 3.37Å; V108-I112 HydrophobicContact CG1-CD1 4.14Å; V108-I112 WeakPolarHBondContact O-CD1 3.47Å; V108-I112 VanDerWaalsContact O-CG1 3.24Å; V108-I112 WeakPolarHBondContact O-CG1 3.41Å; V108-I112 PolarHBondContact O-N 2.92Å; V108-I128 HydrophobicContact CG2-CD1 4.4Å; V108-I128 HydrophobicContact CG2-CG2 3.95Å; V108-G151 WeakPolarHBondContact CA-O 3.38Å; V108-G151 WeakPolarHBondContact CB-O 3.33Å; V108-G151 PolarHBondContact N-O 2.71Å; V108-V154 HydrophobicContact CB-CB 4.33Å; V108-V154 HydrophobicContact CG2-CB 3.94Å; V108-V154 HydrophobicContact CG2-CG1 3.63Å; V108-V154 PolarHBondContact N-O 2.99Å; V108-L156 HydrophobicContact CG2-CD1 4.35Å; V108-L156 HydrophobicContact CG2-CG 4.41Å; V108-M221 HydrophobicContact CG1-CG 3.57Å; V108-M221 HydrophobicContact CG1-SD 3.7Å |
| 109 | A | 93.4 | Very high | 90.6 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 12% | 0.116 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -31.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S107 K113 G151 Q152 | S107-A109 PolarHBondContact O-N 3.32Å; S107-A109 PolarHBondContact OG-N 2.88Å; A109-K113 WeakPolarHBondContact O-CE 3.22Å; A109-K113 WeakPolarHBondContact O-CG 3.34Å; A109-K113 PolarHBondContact O-N 3.31Å; A109-K113 VanDerWaalsContact O-N 3.09Å; A109-G151 PolarHBondContact N-O 3.42Å; A109-Q152 HydrophobicContact CB-CB 4.46Å |
| 110 | D | 92.1 | Very high | 90.8 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 31% | 0.31 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -79.9 | -33.8 | 176 | -52.9 | -50.1 | 0 | 0 | 0 | 112.2 | S107 V108 I112 K113 S114 | S107-D110 WeakPolarHBondContact CB-OD2 3.43Å; S107-D110 PolarHBondContact N-OD2 3.46Å; S107-D110 WeakPolarHBondContact O-CA 3.35Å; S107-D110 WeakPolarHBondContact O-CB 3.3Å; S107-D110 PolarHBondContact O-N 2.88Å; S107-D110 PolarHBondContact OG-N 2.81Å; S107-D110 PolarHBondContact OG-OD2 3.22Å; V108-D110 VanDerWaalsContact C-N 3.25Å; V108-D110 PolarHBondContact O-N 3.14Å; D110-I112 VanDerWaalsContact C-N 3.28Å; D110-I112 PolarHBondContact O-N 2.94Å; D110-K113 PolarHBondContact O-N 2.92Å; D110-K113 IonicContact OD1-NZ 2.9Å; D110-K113 PolarHBondContact OD1-NZ 2.84Å; D110-S114 WeakPolarHBondContact O-CB 3.38Å; D110-S114 PolarHBondContact O-N 3.39Å; D110-S114 PolarHBondContact O-OG 2.91Å |
| 111 | L | 94.5 | Very high | 90.8 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.8 | -38.3 | 167.9 | -179.2 | 68.9 | 0 | 0 | 0 | 111.8 | S107 V108 S114 T115 L120 I128 L156 L302 | S107-L111 PolarHBondContact O-N 3.48Å; V108-L111 WeakPolarHBondContact O-CB 3.45Å; V108-L111 PolarHBondContact O-N 3.37Å; L111-S114 WeakPolarHBondContact CA-OG 3.25Å; L111-S114 PolarHBondContact O-OG 2.67Å; L111-S114 VanDerWaalsContact O-OG 3.12Å; L111-T115 WeakPolarHBondContact O-CB 3.28Å; L111-T115 PolarHBondContact O-N 2.76Å; L111-T115 VanDerWaalsContact O-N 3.16Å; L111-T115 PolarHBondContact O-OG1 3.26Å; L111-L120 HydrophobicContact CD2-CD1 3.78Å; L111-L120 HydrophobicContact CD2-CD2 4.25Å; L111-L120 HydrophobicContact CG-CD1 4.31Å; L111-L120 HydrophobicContact CG-CD2 3.96Å; L111-I128 HydrophobicContact CD2-CD1 3.91Å; L111-L156 HydrophobicContact CB-CD1 4.06Å; L111-L156 HydrophobicContact CD2-CD1 3.86Å; L111-L156 HydrophobicContact CG-CD1 4.41Å; L111-L302 HydrophobicContact CD1-CD1 3.99Å; L111-L302 HydrophobicContact CD2-CD1 3.68Å |
| 112 | I | 93.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.1 | -49.6 | 174.2 | -69.5 | 162.1 | 0 | 0 | 0 | 110.7 | V108 D110 S114 T115 L120 E220 M221 | V108-I112 HydrophobicContact CG1-CD1 4.14Å; V108-I112 WeakPolarHBondContact O-CD1 3.47Å; V108-I112 VanDerWaalsContact O-CG1 3.24Å; V108-I112 WeakPolarHBondContact O-CG1 3.41Å; V108-I112 PolarHBondContact O-N 2.92Å; D110-I112 VanDerWaalsContact C-N 3.28Å; D110-I112 PolarHBondContact O-N 2.94Å; I112-S114 VanDerWaalsContact C-N 3.33Å; I112-S114 PolarHBondContact O-N 3.13Å; I112-T115 PolarHBondContact O-N 3.44Å; I112-L120 HydrophobicContact CG1-CD1 4.26Å; I112-L120 HydrophobicContact CG1-CD2 4.26Å; I112-L120 HydrophobicContact CG1-CG 4.13Å; I112-E220 HydrophobicContact CD1-CG 3.98Å; I112-M221 HydrophobicContact CD1-CB 4.35Å; I112-M221 HydrophobicContact CD1-CG 3.95Å; I112-M221 HydrophobicContact CG1-CG 4.45Å |
| 113 | K | 90.7 | Very high | 90.9 | Very high | 139 Ų | 139 | 50.7 Ų | 50.7 | 60% | 0.604 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.8 | -40.6 | 179.6 | -69 | 163.6 | -153.1 | 164.4 | 0 | 112.8 | A109 D110 | A109-K113 WeakPolarHBondContact O-CE 3.22Å; A109-K113 WeakPolarHBondContact O-CG 3.34Å; A109-K113 PolarHBondContact O-N 3.31Å; A109-K113 VanDerWaalsContact O-N 3.09Å; D110-K113 PolarHBondContact O-N 2.92Å; D110-K113 IonicContact OD1-NZ 2.9Å; D110-K113 PolarHBondContact OD1-NZ 2.84Å |
| 114 | S | 87.4 | Confident | 90.9 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -76.8 | -20.8 | -179.1 | 51.7 | 0 | 0 | 0 | 0 | 114 | D110 L111 I112 R116 H309 | D110-S114 WeakPolarHBondContact O-CB 3.38Å; D110-S114 PolarHBondContact O-N 3.39Å; D110-S114 PolarHBondContact O-OG 2.91Å; L111-S114 WeakPolarHBondContact CA-OG 3.25Å; L111-S114 PolarHBondContact O-OG 2.67Å; L111-S114 VanDerWaalsContact O-OG 3.12Å; I112-S114 VanDerWaalsContact C-N 3.33Å; I112-S114 PolarHBondContact O-N 3.13Å; S114-R116 PolarHBondContact O-N 3.16Å; S114-H309 WeakPolarHBondContact CB-CD2 3.2Å; S114-H309 VanDerWaalsContact CB-NE2 3.26Å; S114-H309 WeakPolarHBondContact CB-NE2 3.49Å |
| 115 | T | 88.6 | Confident | 91.2 | Very high | 14 Ų | 14 | 49.8 Ų | 49.8 | 9% | 0.086 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -72.3 | 120.8 | 172.6 | -66.6 | 0 | 0 | 0 | 0 | 110.1 | L111 I112 T117 K118 L120 | L111-T115 WeakPolarHBondContact O-CB 3.28Å; L111-T115 PolarHBondContact O-N 2.76Å; L111-T115 VanDerWaalsContact O-N 3.16Å; L111-T115 PolarHBondContact O-OG1 3.26Å; I112-T115 PolarHBondContact O-N 3.44Å; T115-T117 WeakPolarHBondContact CG2-OG1 3.41Å; T115-T117 PolarHBondContact O-N 3.14Å; T115-K118 WeakPolarHBondContact O-CA 3.39Å; T115-K118 PolarHBondContact O-N 3.24Å; T115-L120 HydrophobicContact CG2-CD2 4.37Å; T115-L120 WeakPolarHBondContact OG1-CD2 3.23Å |
| 116 | R | 82.1 | Confident | 91.4 | Very high | 254 Ų | 254 | 48.8 Ų | 48.8 | 96% | 0.958 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -32.4 | -176.2 | -178.4 | 173.4 | 176.2 | 148.1 | -0.1 | 115.1 | S114 | S114-R116 PolarHBondContact O-N 3.16Š|
| 117 | T | 81.9 | Confident | 91.6 | Very high | 92 Ų | 92 | 47.5 Ų | 47.5 | 56% | 0.564 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 0.9 | 177.9 | 46.1 | 0 | 0 | 0 | 0 | 114.3 | T115 S119 | T115-T117 WeakPolarHBondContact CG2-OG1 3.41Å; T115-T117 PolarHBondContact O-N 3.14Å; T117-S119 WeakPolarHBondContact O-CB 3.41Å; T117-S119 PolarHBondContact O-N 3.18Å; T117-S119 VanDerWaalsContact O-N 3.09Å; T117-S119 PolarHBondContact OG1-O 3.06Å |
| 118 | K | 84.7 | Confident | 91.8 | Very high | 139 Ų | 139 | 47.3 Ų | 47.3 | 60% | 0.604 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 46.5 | 31.8 | -166.5 | -60.7 | -174.2 | 178.8 | -176.6 | 0 | 113.4 | T115 G224 | T115-K118 WeakPolarHBondContact O-CA 3.39Å; T115-K118 PolarHBondContact O-N 3.24Å; K118-G224 WeakPolarHBondContact O-CA 3.48Å; K118-G224 PolarHBondContact O-N 3.46Å |
| 119 | S | 89.5 | Confident | 91.9 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | trans | -156.6 | 115.9 | -168.8 | 171.8 | 0 | 0 | 0 | 0 | 109.1 | T117 A222 R256 | T117-S119 WeakPolarHBondContact O-CB 3.41Å; T117-S119 PolarHBondContact O-N 3.18Å; T117-S119 VanDerWaalsContact O-N 3.09Å; T117-S119 PolarHBondContact OG1-O 3.06Å; S119-A222 VanDerWaalsContact CB-O 3.28Å; S119-A222 WeakPolarHBondContact CB-O 3.34Å; S119-A222 PolarHBondContact OG-O 3.11Å; S119-R256 PolarHBondContact O-NH2 2.86Å; S119-R256 VanDerWaalsContact OG-CZ 3.3Å; S119-R256 PolarHBondContact OG-NH1 2.85Å; S119-R256 VanDerWaalsContact OG-NH1 3.09Å; S119-R256 PolarHBondContact OG-NH2 2.83Å | ||
| 120 | L | 93.1 | Very high | 92 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | trans | -72.9 | 169.4 | -174.3 | -53.9 | -170.2 | 0 | 0 | 0 | 111.6 | L111 I112 T115 I125 I128 M221 R256 | L111-L120 HydrophobicContact CD2-CD1 3.78Å; L111-L120 HydrophobicContact CD2-CD2 4.25Å; L111-L120 HydrophobicContact CG-CD1 4.31Å; L111-L120 HydrophobicContact CG-CD2 3.96Å; I112-L120 HydrophobicContact CG1-CD1 4.26Å; I112-L120 HydrophobicContact CG1-CD2 4.26Å; I112-L120 HydrophobicContact CG1-CG 4.13Å; T115-L120 HydrophobicContact CG2-CD2 4.37Å; T115-L120 WeakPolarHBondContact OG1-CD2 3.23Å; L120-I125 HydrophobicContact CB-CD1 4.43Å; L120-I125 HydrophobicContact CB-CG1 4Å; L120-I128 HydrophobicContact CD1-CD1 4.06Å; L120-M221 HydrophobicContact CD1-CB 3.98Å; L120-M221 HydrophobicContact CD1-CG 3.84Å; L120-M221 HydrophobicContact CD1-SD 3.93Å; L120-M221 HydrophobicContact CG-CB 4.29Å; L120-M221 PolarHBondContact N-O 2.91Å; L120-R256 PolarHBondContact O-NH1 2.86Å; L120-R256 PolarHBondContact O-NH2 2.78Å | ||
| 121 | K | 91.9 | Very high | 92.2 | Very high | 98 Ų | 98 | 44.5 Ų | 44.5 | 43% | 0.426 | 21% | 0.206 | S | C | . | . | trans | -74.7 | 145.8 | 169.9 | -62.6 | -172.2 | -177.2 | -174.7 | 0 | 110.2 | D123 W124 I125 | K121-D123 VanDerWaalsContact C-N 3.31Å; K121-D123 PolarHBondContact O-N 2.58Å; K121-W124 HydrophobicContact CB-CB 4.41Å; K121-W124 HydrophobicContact CB-CD2 4.25Å; K121-W124 HydrophobicContact CB-CG 4Å; K121-W124 HydrophobicContact CD-CZ2 4.34Å; K121-W124 HydrophobicContact CG-CD2 4.4Å; K121-W124 WeakPolarHBondContact O-CA 3.39Å; K121-W124 WeakPolarHBondContact O-CB 3.4Å; K121-W124 PolarHBondContact O-N 3.11Å; K121-I125 WeakPolarHBondContact O-CG1 3.38Å; K121-I125 PolarHBondContact O-N 2.91Å | ||
| 122 | E | 92.7 | Very high | 92.4 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 16% | 0.159 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.2 | -43.6 | 179 | -170 | 173 | 138 | 0 | 0 | 112.5 | W124 I125 A126 W258 T259 F262 F288 | E122-W124 PolarHBondContact O-N 3.44Å; E122-I125 WeakPolarHBondContact O-CB 3.48Å; E122-I125 PolarHBondContact O-N 2.83Å; E122-I125 VanDerWaalsContact O-N 3.08Å; E122-A126 PolarHBondContact O-N 2.83Å; E122-W258 HydrophobicContact CB-CE3 4.12Å; E122-W258 HydrophobicContact CB-CZ3 4.12Å; E122-W258 HydrophobicContact CG-CE3 4.32Å; E122-W258 WeakPolarHBondContact OE2-CA 3.15Å; E122-T259 VanDerWaalsContact OE1-CB 3.25Å; E122-T259 WeakPolarHBondContact OE1-CB 3.37Å; E122-T259 WeakPolarHBondContact OE1-CG2 3.27Å; E122-T259 PolarHBondContact OE1-OG1 3.21Å; E122-T259 PolarHBondContact OE2-N 3.43Å; E122-F262 HydrophobicContact CG-CB 4.27Å; E122-F262 HydrophobicContact CG-CD1 3.87Å; E122-F262 HydrophobicContact CG-CG 4.23Å; E122-F262 WeakPolarHBondContact OE1-CB 3.19Å; E122-F288 HydrophobicContact CG-CE2 3.7Å; E122-F288 HydrophobicContact CG-CZ 4.28Å |
| 123 | D | 93.5 | Very high | 92.5 | Very high | 79 Ų | 79 | 44 Ų | 44 | 42% | 0.422 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55 | -37 | 173.9 | -57.7 | -27.9 | 0 | 0 | 0 | 113.6 | K121 Y127 I298 | K121-D123 VanDerWaalsContact C-N 3.31Å; K121-D123 PolarHBondContact O-N 2.58Å; D123-Y127 WeakPolarHBondContact O-CB 3.42Å; D123-Y127 PolarHBondContact O-N 3.02Å; D123-I298 HydrophobicContact CB-CD1 3.86Å; D123-I298 HydrophobicContact CB-CG1 4.02Å; D123-I298 HydrophobicContact CB-CG2 4.43Å |
| 124 | W | 94.9 | Very high | 92.8 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 5% | 0.053 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -74.8 | -38.6 | 179.5 | -63.3 | 8.4 | 0 | 0 | 0 | 110.4 | K121 E122 Y127 I128 Q301 L302 H305 | K121-W124 HydrophobicContact CB-CB 4.41Å; K121-W124 HydrophobicContact CB-CD2 4.25Å; K121-W124 HydrophobicContact CB-CG 4Å; K121-W124 HydrophobicContact CD-CZ2 4.34Å; K121-W124 HydrophobicContact CG-CD2 4.4Å; K121-W124 WeakPolarHBondContact O-CA 3.39Å; K121-W124 WeakPolarHBondContact O-CB 3.4Å; K121-W124 PolarHBondContact O-N 3.11Å; E122-W124 PolarHBondContact O-N 3.44Å; W124-Y127 PolarHBondContact O-N 3.33Å; W124-I128 WeakPolarHBondContact O-CB 3.34Å; W124-I128 VanDerWaalsContact O-CG1 3.26Å; W124-I128 WeakPolarHBondContact O-CG1 3.37Å; W124-I128 PolarHBondContact O-N 2.83Å; W124-Q301 HydrophobicContact CZ2-CB 4.12Å; W124-L302 HydrophobicContact CD2-CD1 4.24Å; W124-L302 HydrophobicContact CE3-CD1 3.96Å; W124-L302 HydrophobicContact CZ3-CD1 4.25Å; W124-H305 HydrophobicContact CH2-CB 3.65Å; W124-H305 AromaticContact CH2-CG 3.69Å; W124-H305 HydrophobicContact CZ2-CB 4.44Å; W124-H305 HydrophobicContact CZ3-CB 4.27Å |
| 125 | I | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 174.3 | -59.3 | 177.2 | 0 | 0 | 0 | 110.3 | L120 K121 E122 I128 S129 A218 M221 A222 W258 F262 F288 | L120-I125 HydrophobicContact CB-CD1 4.43Å; L120-I125 HydrophobicContact CB-CG1 4Å; K121-I125 WeakPolarHBondContact O-CG1 3.38Å; K121-I125 PolarHBondContact O-N 2.91Å; E122-I125 WeakPolarHBondContact O-CB 3.48Å; E122-I125 PolarHBondContact O-N 2.83Å; E122-I125 VanDerWaalsContact O-N 3.08Å; I125-I128 PolarHBondContact O-N 2.89Å; I125-S129 WeakPolarHBondContact O-CB 3.4Å; I125-S129 PolarHBondContact O-N 3.07Å; I125-S129 PolarHBondContact O-OG 2.78Å; I125-A218 HydrophobicContact CG2-CB 4.39Å; I125-M221 HydrophobicContact CD1-CB 4.08Å; I125-M221 HydrophobicContact CG1-CB 3.83Å; I125-M221 HydrophobicContact CG1-SD 4.49Å; I125-M221 HydrophobicContact CG2-CB 4.47Å; I125-M221 HydrophobicContact CG2-CE 4.03Å; I125-A222 HydrophobicContact CD1-CB 3.97Å; I125-W258 HydrophobicContact CD1-CH2 4.09Å; I125-W258 HydrophobicContact CD1-CZ3 4.01Å; I125-F262 HydrophobicContact CD1-CE1 3.98Å; I125-F262 HydrophobicContact CD1-CZ 3.96Å; I125-F262 HydrophobicContact CG2-CE2 3.84Å; I125-F262 HydrophobicContact CG2-CZ 3.7Å; I125-F288 HydrophobicContact CB-CZ 4.47Å; I125-F288 HydrophobicContact CG2-CE1 4.49Å; I125-F288 HydrophobicContact CG2-CZ 4.2Å |
| 126 | A | 96.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E122 R130 F288 L292 | E122-A126 PolarHBondContact O-N 2.83Å; A126-R130 VanDerWaalsContact O-CB 3.28Å; A126-R130 WeakPolarHBondContact O-CB 3.45Å; A126-R130 PolarHBondContact O-N 2.9Å; A126-F288 HydrophobicContact CB-CD1 4.38Å; A126-F288 HydrophobicContact CB-CD2 4.32Å; A126-F288 HydrophobicContact CB-CE1 3.92Å; A126-F288 HydrophobicContact CB-CE2 3.85Å; A126-F288 HydrophobicContact CB-CZ 3.63Å; A126-L292 HydrophobicContact CB-CD1 4.24Å; A126-L292 HydrophobicContact CB-CD2 3.82Å; A126-L292 HydrophobicContact CB-CG 4.13Å |
| 127 | Y | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.7 | -51.5 | 175.7 | 177.3 | -100.8 | 0 | 0 | 0 | 111.9 | D123 W124 R130 E131 A160 V162 E295 I298 R299 L302 | D123-Y127 WeakPolarHBondContact O-CB 3.42Å; D123-Y127 PolarHBondContact O-N 3.02Å; W124-Y127 PolarHBondContact O-N 3.33Å; Y127-R130 PolarHBondContact O-N 3.31Å; Y127-E131 HydrophobicContact CE1-CG 4.32Å; Y127-E131 HydrophobicContact CE2-CG 4.3Å; Y127-E131 WeakPolarHBondContact O-CG 3.45Å; Y127-E131 PolarHBondContact O-N 3.16Å; Y127-A160 PolarHBondContact OH-O 3.01Å; Y127-A160 VanDerWaalsContact OH-O 3.11Å; Y127-V162 HydrophobicContact CD1-CG2 4.49Å; Y127-V162 HydrophobicContact CE1-CG2 4.09Å; Y127-E295 HydrophobicContact CD2-CG 4.35Å; Y127-E295 HydrophobicContact CE2-CG 4.24Å; Y127-I298 HydrophobicContact CG-CG2 4.28Å; Y127-R299 HydrophobicContact CE2-CB 4.45Å; Y127-R299 WeakPolarHBondContact OH-CD 3.48Å; Y127-L302 HydrophobicContact CD1-CD2 4.06Å; Y127-L302 HydrophobicContact CE1-CD2 4.08Å |
| 128 | I | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.4 | -46.2 | -178.5 | -67 | 165.5 | 0 | 0 | 0 | 111 | V108 L111 L120 W124 I125 R130 E131 I132 V154 V162 M221 | V108-I128 HydrophobicContact CG2-CD1 4.4Å; V108-I128 HydrophobicContact CG2-CG2 3.95Å; L111-I128 HydrophobicContact CD2-CD1 3.91Å; L120-I128 HydrophobicContact CD1-CD1 4.06Å; W124-I128 WeakPolarHBondContact O-CB 3.34Å; W124-I128 VanDerWaalsContact O-CG1 3.26Å; W124-I128 WeakPolarHBondContact O-CG1 3.37Å; W124-I128 PolarHBondContact O-N 2.83Å; I125-I128 PolarHBondContact O-N 2.89Å; I128-R130 VanDerWaalsContact C-N 3.31Å; I128-R130 PolarHBondContact O-N 3.45Å; I128-E131 PolarHBondContact O-N 3.19Å; I128-I132 HydrophobicContact CG2-CD1 3.83Å; I128-I132 HydrophobicContact CG2-CG1 4.41Å; I128-I132 WeakPolarHBondContact O-CG1 3.3Å; I128-I132 PolarHBondContact O-N 2.76Å; I128-V154 HydrophobicContact CG2-CG1 4.5Å; I128-V162 HydrophobicContact CG1-CG2 4.06Å; I128-V162 HydrophobicContact CG2-CG1 4.23Å; I128-M221 HydrophobicContact CB-CE 4.23Å; I128-M221 HydrophobicContact CB-SD 3.87Å; I128-M221 HydrophobicContact CD1-SD 3.87Å; I128-M221 HydrophobicContact CG1-SD 4.48Å; I128-M221 HydrophobicContact CG2-CE 3.85Å; I128-M221 HydrophobicContact CG2-SD 3.64Å |
| 129 | S | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.4 | -37.4 | 178.4 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | I125 L133 | I125-S129 WeakPolarHBondContact O-CB 3.4Å; I125-S129 PolarHBondContact O-N 3.07Å; I125-S129 PolarHBondContact O-OG 2.78Å; S129-L133 WeakPolarHBondContact O-CB 3.31Å; S129-L133 WeakPolarHBondContact O-CG 3.26Å; S129-L133 PolarHBondContact O-N 3.38Å |
| 130 | R | 96.8 | Very high | 94.6 | Very high | 12 Ų | 12 | 21.2 Ų | 21.2 | 5% | 0.045 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.3 | -42 | 174.8 | -176.4 | -170.2 | 75.2 | 170.1 | 9.2 | 112.4 | A126 Y127 I128 L133 R134 F284 I289 L292 E295 | A126-R130 VanDerWaalsContact O-CB 3.28Å; A126-R130 WeakPolarHBondContact O-CB 3.45Å; A126-R130 PolarHBondContact O-N 2.9Å; Y127-R130 PolarHBondContact O-N 3.31Å; I128-R130 VanDerWaalsContact C-N 3.31Å; I128-R130 PolarHBondContact O-N 3.45Å; R130-L133 WeakPolarHBondContact O-CB 3.4Å; R130-L133 PolarHBondContact O-N 3.28Å; R130-R134 VanDerWaalsContact NH2-NH1 3.15Å; R130-R134 WeakPolarHBondContact O-CG 3.43Å; R130-R134 PolarHBondContact O-N 2.82Å; R130-F284 HydrophobicContact CG-CD2 4.43Å; R130-F284 HydrophobicContact CG-CE2 3.66Å; R130-F284 HydrophobicContact CG-CZ 4.37Å; R130-I289 HydrophobicContact CB-CD1 4.3Å; R130-I289 HydrophobicContact CB-CG2 3.87Å; R130-I289 WeakPolarHBondContact CD-O 3.48Å; R130-I289 HydrophobicContact CG-CG2 3.68Å; R130-L292 HydrophobicContact CB-CD1 4.42Å; R130-E295 IonicContact CZ-OE1 2.79Å; R130-E295 IonicContact CZ-OE2 3.96Å; R130-E295 VanDerWaalsContact NH1-CD 3.29Å; R130-E295 IonicContact NH1-OE1 3.24Å; R130-E295 IonicContact NH1-OE2 3.16Å; R130-E295 PolarHBondContact NH1-OE2 2.8Å; R130-E295 IonicContact NH2-OE1 2.66Å; R130-E295 PolarHBondContact NH2-OE1 3.34Å; R130-E295 IonicContact NH2-OE2 2.79Å; R130-E295 PolarHBondContact NH2-OE2 2.78Å |
| 131 | E | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70 | -35.8 | 177.6 | -64 | -51.5 | 107.7 | 0 | 0 | 112.1 | R77 N78 Y127 I128 R134 G135 V162 | R77-E131 IonicContact CZ-OE2 2.71Å; R77-E131 IonicContact NE-OE2 3.03Å; R77-E131 IonicContact NH2-OE2 2.68Å; R77-E131 PolarHBondContact NH2-OE2 2.79Å; N78-E131 WeakPolarHBondContact CB-O 3.29Å; N78-E131 PolarHBondContact ND2-OE2 3.07Å; N78-E131 PolarHBondContact OD1-OE2 2.77Å; Y127-E131 HydrophobicContact CE1-CG 4.32Å; Y127-E131 HydrophobicContact CE2-CG 4.3Å; Y127-E131 WeakPolarHBondContact O-CG 3.45Å; Y127-E131 PolarHBondContact O-N 3.16Å; I128-E131 PolarHBondContact O-N 3.19Å; E131-R134 WeakPolarHBondContact O-CB 3.44Å; E131-R134 PolarHBondContact O-N 2.8Å; E131-R134 IonicContact OE1-CZ 3.67Å; E131-R134 IonicContact OE1-NE 3.64Å; E131-R134 IonicContact OE1-NH1 2.67Å; E131-R134 PolarHBondContact OE1-NH1 2.6Å; E131-R134 IonicContact OE2-NH1 3.95Å; E131-G135 PolarHBondContact O-N 2.75Å; E131-G135 VanDerWaalsContact O-N 3.14Å; E131-V162 HydrophobicContact CB-CB 3.58Å; E131-V162 HydrophobicContact CB-CG1 3.97Å; E131-V162 HydrophobicContact CB-CG2 4Å; E131-V162 HydrophobicContact CG-CB 4.13Å; E131-V162 HydrophobicContact CG-CG2 4.13Å |
| 132 | I | 97.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 168.6 | -65.8 | 162.8 | 0 | 0 | 0 | 110.1 | I128 R134 G135 L136 V154 V162 L164 L214 T217 | I128-I132 HydrophobicContact CG2-CD1 3.83Å; I128-I132 HydrophobicContact CG2-CG1 4.41Å; I128-I132 WeakPolarHBondContact O-CG1 3.3Å; I128-I132 PolarHBondContact O-N 2.76Å; I132-R134 VanDerWaalsContact C-N 3.29Å; I132-R134 PolarHBondContact O-N 2.92Å; I132-G135 WeakPolarHBondContact O-CA 3.4Å; I132-G135 PolarHBondContact O-N 3.02Å; I132-L136 HydrophobicContact CG2-CD1 3.93Å; I132-L136 HydrophobicContact CG2-CG 4.2Å; I132-L136 PolarHBondContact O-N 2.94Å; I132-V154 HydrophobicContact CD1-CG1 4.06Å; I132-V154 HydrophobicContact CD1-CG2 3.85Å; I132-V154 HydrophobicContact CG1-CG1 3.89Å; I132-V154 HydrophobicContact CG1-CG2 4Å; I132-V162 HydrophobicContact CG1-CG1 4.27Å; I132-L164 HydrophobicContact CG1-CD2 4.21Å; I132-L164 HydrophobicContact CG2-CD2 4.18Å; I132-L214 HydrophobicContact CB-CD1 4.12Å; I132-L214 HydrophobicContact CD1-CD1 4.06Å; I132-L214 HydrophobicContact CG2-CD1 3.84Å; I132-T217 HydrophobicContact CD1-CG2 4.45Å |
| 133 | L | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.6 | -38.3 | 177 | -80 | 167.7 | 0 | 0 | 0 | 112.7 | S129 R130 L136 M137 I211 L214 F265 T280 L283 F284 I289 | S129-L133 WeakPolarHBondContact O-CB 3.31Å; S129-L133 WeakPolarHBondContact O-CG 3.26Å; S129-L133 PolarHBondContact O-N 3.38Å; R130-L133 WeakPolarHBondContact O-CB 3.4Å; R130-L133 PolarHBondContact O-N 3.28Å; L133-L136 PolarHBondContact O-N 2.66Å; L133-M137 WeakPolarHBondContact O-CB 3.26Å; L133-M137 VanDerWaalsContact O-CG 3.26Å; L133-M137 WeakPolarHBondContact O-CG 3.39Å; L133-M137 PolarHBondContact O-N 2.83Å; L133-I211 HydrophobicContact CD2-CD1 3.83Å; L133-L214 HydrophobicContact CD1-CD2 4.18Å; L133-L214 HydrophobicContact CD2-CD2 3.48Å; L133-L214 VanDerWaalsContact CD2-CD2 3.48Å; L133-L214 HydrophobicContact CG-CD2 3.56Å; L133-F265 HydrophobicContact CD1-CE2 4.19Å; L133-F265 HydrophobicContact CD1-CZ 4.45Å; L133-T280 HydrophobicContact CD2-CG2 4.11Å; L133-L283 HydrophobicContact CD1-CD2 4.46Å; L133-L283 HydrophobicContact CD1-CG 4.18Å; L133-L283 HydrophobicContact CD2-CB 4.43Å; L133-L283 HydrophobicContact CD2-CD2 3.96Å; L133-L283 HydrophobicContact CD2-CG 4.28Å; L133-F284 HydrophobicContact CB-CD2 4.07Å; L133-I289 HydrophobicContact CD1-CD1 4.11Å; L133-I289 HydrophobicContact CD1-CG1 4.02Å; L133-I289 HydrophobicContact CD1-CG2 4.04Å |
| 134 | R | 96.3 | Very high | 92.7 | Very high | 70 Ų | 70 | 25.8 Ų | 25.8 | 26% | 0.264 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 173.1 | -73.8 | 172.4 | 165.7 | 167.6 | -5.2 | 111.7 | H76 N78 R130 E131 I132 H138 F284 | H76-R134 PolarHBondContact CE1-O 2.88Å; H76-R134 VanDerWaalsContact CE1-O 3.26Å; N78-R134 HydrophobicContact CB-CB 4.47Å; N78-R134 VanDerWaalsContact OD1-CB 3.23Å; N78-R134 WeakPolarHBondContact OD1-CB 3.44Å; R130-R134 VanDerWaalsContact NH2-NH1 3.15Å; R130-R134 WeakPolarHBondContact O-CG 3.43Å; R130-R134 PolarHBondContact O-N 2.82Å; E131-R134 WeakPolarHBondContact O-CB 3.44Å; E131-R134 PolarHBondContact O-N 2.8Å; E131-R134 IonicContact OE1-CZ 3.67Å; E131-R134 IonicContact OE1-NE 3.64Å; E131-R134 IonicContact OE1-NH1 2.67Å; E131-R134 PolarHBondContact OE1-NH1 2.6Å; E131-R134 IonicContact OE2-NH1 3.95Å; I132-R134 VanDerWaalsContact C-N 3.29Å; I132-R134 PolarHBondContact O-N 2.92Å; R134-H138 PolarHBondContact O-N 3.05Å; R134-F284 HydrophobicContact CG-CE2 3.68Å; R134-F284 HydrophobicContact CG-CZ 4.17Å |
| 135 | G | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.2 | -51.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E131 I132 M137 H138 L139 | E131-G135 PolarHBondContact O-N 2.75Å; E131-G135 VanDerWaalsContact O-N 3.14Å; I132-G135 WeakPolarHBondContact O-CA 3.4Å; I132-G135 PolarHBondContact O-N 3.02Å; G135-M137 PolarHBondContact O-N 3.39Å; G135-H138 WeakPolarHBondContact O-CB 3.39Å; G135-H138 PolarHBondContact O-N 2.89Å; G135-H138 VanDerWaalsContact O-N 3.11Å; G135-L139 WeakPolarHBondContact O-CG 3.41Å; G135-L139 PolarHBondContact O-N 3.13Å; G135-L139 VanDerWaalsContact O-N 3.1Å |
| 136 | L | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 178.5 | -68.6 | 178.3 | 0 | 0 | 0 | 112.7 | I132 L133 H138 L139 H140 H146 I149 L164 D210 I211 T280 | I132-L136 HydrophobicContact CG2-CD1 3.93Å; I132-L136 HydrophobicContact CG2-CG 4.2Å; I132-L136 PolarHBondContact O-N 2.94Å; L133-L136 PolarHBondContact O-N 2.66Å; L136-H138 VanDerWaalsContact C-N 3.28Å; L136-H138 PolarHBondContact O-N 3.33Å; L136-L139 HydrophobicContact CD2-CD1 4.34Å; L136-L139 PolarHBondContact O-N 3Å; L136-H140 VanDerWaalsContact O-CB 3.3Å; L136-H140 WeakPolarHBondContact O-CB 3.35Å; L136-H140 PolarHBondContact O-CD2 2.97Å; L136-H140 VanDerWaalsContact O-CD2 3.27Å; L136-H140 PolarHBondContact O-N 2.83Å; L136-H140 PolarHBondContact O-ND1 3.12Å; L136-H146 HydrophobicContact CD2-CB 4.14Å; L136-I149 HydrophobicContact CD2-CD1 3.85Å; L136-I149 HydrophobicContact CD2-CG1 4.02Å; L136-I149 HydrophobicContact CG-CD1 4.47Å; L136-L164 HydrophobicContact CD2-CD1 4.28Å; L136-L164 HydrophobicContact CG-CD1 4.35Å; L136-D210 HydrophobicContact CD1-CB 4.02Å; L136-D210 HydrophobicContact CD2-CB 3.76Å; L136-I211 HydrophobicContact CD1-CD1 4.42Å; L136-T280 HydrophobicContact CB-CG2 3.66Å |
| 137 | M | 93.3 | Very high | 90.7 | Very high | 59 Ų | 59 | 27.3 Ų | 27.3 | 29% | 0.291 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -55.7 | -42.4 | 172.9 | -79.3 | 179.1 | 70.7 | 0 | 0 | 112 | L133 G135 A141 T280 F284 | L133-M137 WeakPolarHBondContact O-CB 3.26Å; L133-M137 VanDerWaalsContact O-CG 3.26Å; L133-M137 WeakPolarHBondContact O-CG 3.39Å; L133-M137 PolarHBondContact O-N 2.83Å; G135-M137 PolarHBondContact O-N 3.39Å; M137-A141 VanDerWaalsContact O-CB 3.24Å; M137-A141 WeakPolarHBondContact O-CB 3.38Å; M137-A141 PolarHBondContact O-N 2.7Å; M137-T280 HydrophobicContact CG-CG2 4.37Å; M137-F284 HydrophobicContact SD-CB 3.68Å; M137-F284 HydrophobicContact SD-CD1 4.12Å; M137-F284 HydrophobicContact SD-CD2 3.98Å; M137-F284 HydrophobicContact SD-CG 3.64Å |
| 138 | H | 92.2 | Very high | 90.1 | Very high | 46 Ų | 46 | 28.4 Ų | 28.4 | 21% | 0.213 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.7 | -43.5 | 178.1 | -175.9 | 90.8 | 0 | 0 | 0 | 112.4 | L73 H76 I79 R134 G135 L136 N142 | L73-H138 PolarHBondContact O-NE2 3.47Å; H76-H138 HydrophobicContact CB-CB 4.44Å; H76-H138 AromaticContact CD2-ND1 3.98Å; H76-H138 AromaticContact CG-CG 3.87Å; I79-H138 HydrophobicContact CD1-CB 4.47Å; R134-H138 PolarHBondContact O-N 3.05Å; G135-H138 WeakPolarHBondContact O-CB 3.39Å; G135-H138 PolarHBondContact O-N 2.89Å; G135-H138 VanDerWaalsContact O-N 3.11Å; L136-H138 VanDerWaalsContact C-N 3.28Å; L136-H138 PolarHBondContact O-N 3.33Å; H138-N142 PolarHBondContact O-N 3.2Å; H138-N142 PolarHBondContact O-ND2 2.73Å |
| 139 | L | 89.2 | Confident | 89.9 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.2 | -49.6 | 177.2 | -64.1 | 175.7 | 0 | 0 | 0 | 111.2 | L73 I79 G135 L136 A141 N142 R143 V144 H146 L164 | L73-L139 HydrophobicContact CB-CD2 4.18Å; L73-L139 HydrophobicContact CD1-CD2 3.65Å; L73-L139 HydrophobicContact CG-CD2 4.38Å; I79-L139 HydrophobicContact CD1-CD2 3.76Å; I79-L139 HydrophobicContact CD1-CG 4.05Å; G135-L139 WeakPolarHBondContact O-CG 3.41Å; G135-L139 PolarHBondContact O-N 3.13Å; G135-L139 VanDerWaalsContact O-N 3.1Å; L136-L139 HydrophobicContact CD2-CD1 4.34Å; L136-L139 PolarHBondContact O-N 3Å; L139-A141 PolarHBondContact O-N 3.35Å; L139-N142 CarbonylContact O-C 3.43Å; L139-N142 WeakPolarHBondContact O-CA 3.41Å; L139-N142 PolarHBondContact O-N 3.23Å; L139-R143 PolarHBondContact O-N 3.33Å; L139-V144 CarbonylContact C-O 3.55Å; L139-V144 HydrophobicContact CD2-CG1 4.49Å; L139-V144 PolarHBondContact O-N 2.63Å; L139-H146 HydrophobicContact CD1-CB 4.07Å; L139-L164 HydrophobicContact CD1-CD1 4.23Å |
| 140 | H | 89 | Confident | 89.6 | Confident | 28 Ų | 28 | 29.2 Ų | 29.2 | 13% | 0.13 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | -177.3 | -61.3 | 175.9 | 0 | 0 | 0 | 112.2 | L136 N142 R143 V144 A207 D210 T280 | L136-H140 VanDerWaalsContact O-CB 3.3Å; L136-H140 WeakPolarHBondContact O-CB 3.35Å; L136-H140 PolarHBondContact O-CD2 2.97Å; L136-H140 VanDerWaalsContact O-CD2 3.27Å; L136-H140 PolarHBondContact O-N 2.83Å; L136-H140 PolarHBondContact O-ND1 3.12Å; H140-N142 PolarHBondContact O-N 3.42Å; H140-R143 PolarHBondContact O-N 3.19Å; H140-V144 PolarHBondContact CD2-O 3.32Å; H140-V144 PolarHBondContact N-O 2.82Å; H140-A207 HydrophobicContact CB-CB 4.12Å; H140-A207 PolarHBondContact CE1-O 2.94Å; H140-A207 PolarHBondContact NE2-O 3.4Å; H140-D210 IonicContact NE2-OD2 2.72Å; H140-D210 PolarHBondContact NE2-OD2 3.33Å; H140-T280 VanDerWaalsContact CE1-CG2 3.43Å; H140-T280 WeakPolarHBondContact CE1-CG2 3.34Å; H140-T280 WeakPolarHBondContact ND1-CG2 3.33Å; H140-T280 PolarHBondContact ND1-OG1 3.12Å; H140-T280 VanDerWaalsContact ND1-OG1 3.12Å |
| 141 | A | 87.4 | Confident | 89.4 | Confident | 85 Ų | 85 | 28.6 Ų | 28.6 | 70% | 0.702 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -61 | -27.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | M137 L139 | M137-A141 VanDerWaalsContact O-CB 3.24Å; M137-A141 WeakPolarHBondContact O-CB 3.38Å; M137-A141 PolarHBondContact O-N 2.7Å; L139-A141 PolarHBondContact O-N 3.35Å |
| 142 | N | 84.4 | Confident | 89.1 | Confident | 49 Ų | 49 | 34.2 Ų | 34.2 | 26% | 0.262 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 7 | 174.2 | -78.9 | -82.1 | 0 | 0 | 0 | 114.2 | K72 L73 H138 L139 H140 | K72-N142 WeakPolarHBondContact CE-OD1 3.23Å; L73-N142 HydrophobicContact CD2-CB 3.36Å; L73-N142 VanDerWaalsContact CD2-CG 3.43Å; H138-N142 PolarHBondContact O-N 3.2Å; H138-N142 PolarHBondContact O-ND2 2.73Å; L139-N142 CarbonylContact O-C 3.43Å; L139-N142 WeakPolarHBondContact O-CA 3.41Å; L139-N142 PolarHBondContact O-N 3.23Å; H140-N142 PolarHBondContact O-N 3.42Å |
| 143 | R | 79.7 | Confident | 88.8 | Confident | 166 Ų | 166 | 34.6 Ų | 34.6 | 63% | 0.626 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 35.8 | -175.1 | -54.1 | -176 | -178.8 | -174 | -1.1 | 114.7 | L139 H140 L173 | L139-R143 PolarHBondContact O-N 3.33Å; H140-R143 PolarHBondContact O-N 3.19Å; R143-L173 HydrophobicContact CB-CD1 4.18Å |
| 144 | V | 79.7 | Confident | 88.7 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -118 | 139.3 | 175.2 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | T69 L73 L139 H140 S170 | T69-V144 HydrophobicContact CG2-CG1 4.39Å; T69-V144 HydrophobicContact CG2-CG2 4.34Å; L73-V144 HydrophobicContact CD1-CB 3.85Å; L73-V144 HydrophobicContact CD1-CG1 3.78Å; L73-V144 HydrophobicContact CD1-CG2 3.83Å; L139-V144 CarbonylContact C-O 3.55Å; L139-V144 HydrophobicContact CD2-CG1 4.49Å; L139-V144 PolarHBondContact O-N 2.63Å; H140-V144 PolarHBondContact CD2-O 3.32Å; H140-V144 PolarHBondContact N-O 2.82Å; V144-S170 WeakPolarHBondContact CG1-OG 3.45Å |
| 145 | I | 81.5 | Confident | 88.6 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | trans | -124 | 124.3 | -174.3 | -52.6 | 166.4 | 0 | 0 | 0 | 107.2 | R147 S170 L173 Y205 A207 D210 | I145-R147 HydrophobicContact CB-CG 4.41Å; I145-R147 HydrophobicContact CG2-CG 3.98Å; I145-S170 WeakPolarHBondContact O-CA 3.26Å; I145-S170 WeakPolarHBondContact O-CB 2.92Å; I145-S170 PolarHBondContact O-OG 2.99Å; I145-L173 HydrophobicContact CD1-CD1 4.12Å; I145-L173 HydrophobicContact CD1-CD2 4.06Å; I145-L173 HydrophobicContact CD1-CG 4.08Å; I145-Y205 WeakPolarHBondContact CD1-O 3.5Å; I145-A207 HydrophobicContact CG1-CB 4.48Å; I145-D210 WeakPolarHBondContact CG2-OD2 3.36Å | ||
| 146 | H | 84.5 | Confident | 88.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -72.8 | -33.8 | -168.8 | -166.4 | -48.5 | 0 | 0 | 0 | 113.5 | L136 L139 D148 I149 V165 D210 | L136-H146 HydrophobicContact CD2-CB 4.14Å; L139-H146 HydrophobicContact CD1-CB 4.07Å; H146-D148 PolarHBondContact O-N 3.11Å; H146-I149 HydrophobicContact CB-CD1 4.03Å; H146-I149 HydrophobicContact CB-CG1 3.98Å; H146-I149 VanDerWaalsContact CD2-CD1 3.41Å; H146-I149 WeakPolarHBondContact CD2-CD1 3.48Å; H146-V165 PolarHBondContact CE1-O 3.02Å; H146-V165 PolarHBondContact NE2-O 2.97Å; H146-D210 WeakPolarHBondContact CB-OD2 3.22Å; H146-D210 PolarHBondContact N-OD2 2.81Å | ||
| 147 | R | 80.2 | Confident | 88.7 | Confident | 49 Ų | 49 | 33.7 Ų | 33.7 | 19% | 0.185 | 17% | 0.168 | C | C | . | . | trans | 64.7 | -21.6 | 172.7 | -61.4 | 170.1 | 166.1 | -156.7 | -12.8 | 118 | I145 V169 Y205 D210 | I145-R147 HydrophobicContact CB-CG 4.41Å; I145-R147 HydrophobicContact CG2-CG 3.98Å; R147-V169 HydrophobicContact CB-CG2 4.38Å; R147-V169 WeakPolarHBondContact CD-O 3.5Å; R147-V169 PolarHBondContact NH1-O 3.42Å; R147-Y205 HydrophobicContact CG-CD1 3.89Å; R147-Y205 HydrophobicContact CG-CE1 4.13Å; R147-D210 WeakPolarHBondContact CA-OD1 3.22Å; R147-D210 PolarHBondContact N-OD1 2.87Å | ||
| 148 | D | 84.7 | Confident | 88.6 | Confident | 23 Ų | 23 | 33.4 Ų | 33.4 | 12% | 0.123 | 17% | 0.168 | C | C | . | . | trans | -128.8 | 54.5 | -179.8 | -163.3 | 36.7 | 0 | 0 | 0 | 110.5 | H146 K150 N153 V169 | H146-D148 PolarHBondContact O-N 3.11Å; D148-K150 PolarHBondContact O-N 3.45Å; D148-K150 IonicContact OD1-NZ 2.73Å; D148-K150 PolarHBondContact OD1-NZ 2.78Å; D148-K150 WeakPolarHBondContact OD2-CE 3.31Å; D148-K150 IonicContact OD2-NZ 2.61Å; D148-K150 PolarHBondContact OD2-NZ 2.68Å; D148-N153 VanDerWaalsContact CG-ND2 3.32Å; D148-N153 PolarHBondContact O-ND2 3.12Å; D148-N153 PolarHBondContact OD2-ND2 2.92Å; D148-V169 HydrophobicContact CB-CG2 4.27Å | ||
| 149 | I | 91.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | trans | -79.6 | 114.3 | 172.4 | -68.4 | -70.4 | 0 | 0 | 0 | 109.2 | L136 H146 L164 D210 S213 L214 | L136-I149 HydrophobicContact CD2-CD1 3.85Å; L136-I149 HydrophobicContact CD2-CG1 4.02Å; L136-I149 HydrophobicContact CG-CD1 4.47Å; H146-I149 HydrophobicContact CB-CD1 4.03Å; H146-I149 HydrophobicContact CB-CG1 3.98Å; H146-I149 VanDerWaalsContact CD2-CD1 3.41Å; H146-I149 WeakPolarHBondContact CD2-CD1 3.48Å; I149-L164 HydrophobicContact CD1-CD1 4.2Å; I149-L164 HydrophobicContact CD1-CD2 3.99Å; I149-D210 HydrophobicContact CG1-CB 4.25Å; I149-S213 WeakPolarHBondContact O-CB 3.49Å; I149-L214 HydrophobicContact CG2-CB 4.43Å | ||
| 150 | K | 91.8 | Very high | 88.9 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 7% | 0.065 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -156.9 | 161.2 | 178.6 | 60.4 | -168.3 | -178.5 | -147.8 | 0 | 110.1 | D148 Q152 N153 V154 T186 W189 T217 | D148-K150 PolarHBondContact O-N 3.45Å; D148-K150 IonicContact OD1-NZ 2.73Å; D148-K150 PolarHBondContact OD1-NZ 2.78Å; D148-K150 WeakPolarHBondContact OD2-CE 3.31Å; D148-K150 IonicContact OD2-NZ 2.61Å; D148-K150 PolarHBondContact OD2-NZ 2.68Å; K150-Q152 HydrophobicContact CG-CB 4.22Å; K150-Q152 PolarHBondContact O-N 2.93Å; K150-N153 VanDerWaalsContact CE-OD1 3.27Å; K150-N153 WeakPolarHBondContact CE-OD1 3.43Å; K150-N153 HydrophobicContact CG-CB 4.24Å; K150-N153 PolarHBondContact O-N 3.06Å; K150-V154 PolarHBondContact O-N 2.81Å; K150-T186 PolarHBondContact NZ-OG1 3.24Å; K150-W189 HydrophobicContact CB-CD2 3.69Å; K150-W189 VanDerWaalsContact CB-CE2 3.42Å; K150-W189 HydrophobicContact CB-CE3 4.32Å; K150-W189 HydrophobicContact CB-CG 3.89Å; K150-W189 HydrophobicContact CB-CH2 4.44Å; K150-W189 HydrophobicContact CB-CZ2 3.84Å; K150-W189 HydrophobicContact CD-CE3 4.45Å; K150-W189 HydrophobicContact CD-CZ3 4.46Å; K150-T217 WeakPolarHBondContact CA-OG1 3.27Å |
| 151 | G | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -56.5 | -24.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | S107 V108 A109 E220 | S107-G151 WeakPolarHBondContact CB-O 3.26Å; V108-G151 WeakPolarHBondContact CA-O 3.38Å; V108-G151 WeakPolarHBondContact CB-O 3.33Å; V108-G151 PolarHBondContact N-O 2.71Å; A109-G151 PolarHBondContact N-O 3.42Å; G151-E220 WeakPolarHBondContact CA-OE1 3.26Å; G151-E220 PolarHBondContact N-OE1 2.61Å; G151-E220 PolarHBondContact N-OE2 2.9Å |
| 152 | Q | 90.3 | Very high | 89.6 | Confident | 118 Ų | 118 | 32.8 Ų | 32.8 | 55% | 0.551 | 15% | 0.153 | S | C | * | . | G | 310 helix | trans | -71.7 | -33.9 | 174.4 | -172.6 | 174.5 | -0.7 | 0 | 0 | 113.6 | S107 A109 K150 V154 | S107-Q152 WeakPolarHBondContact CB-O 3.17Å; A109-Q152 HydrophobicContact CB-CB 4.46Å; K150-Q152 HydrophobicContact CG-CB 4.22Å; K150-Q152 PolarHBondContact O-N 2.93Å; Q152-V154 VanDerWaalsContact C-N 3.32Å |
| 153 | N | 91 | Very high | 90.1 | Very high | 9 Ų | 9 | 30.9 Ų | 30.9 | 5% | 0.048 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -94.5 | 10.4 | -176.4 | -62.8 | 8.6 | 0 | 0 | 0 | 112.6 | D148 K150 V165 | D148-N153 VanDerWaalsContact CG-ND2 3.32Å; D148-N153 PolarHBondContact O-ND2 3.12Å; D148-N153 PolarHBondContact OD2-ND2 2.92Å; K150-N153 VanDerWaalsContact CE-OD1 3.27Å; K150-N153 WeakPolarHBondContact CE-OD1 3.43Å; K150-N153 HydrophobicContact CG-CB 4.24Å; K150-N153 PolarHBondContact O-N 3.06Å; N153-V165 HydrophobicContact CB-CG2 4.44Å; N153-V165 WeakPolarHBondContact O-CG2 2.99Å; N153-V165 PolarHBondContact O-N 3.01Å; N153-V165 VanDerWaalsContact O-N 3.14Å |
| 154 | V | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 107 | 173.4 | -176.8 | 0 | 0 | 0 | 0 | 107.1 | S107 V108 I128 I132 K150 Q152 V162 L164 | S107-V154 CarbonylContact C-O 3.53Å; S107-V154 WeakPolarHBondContact CA-O 3.14Å; V108-V154 HydrophobicContact CB-CB 4.33Å; V108-V154 HydrophobicContact CG2-CB 3.94Å; V108-V154 HydrophobicContact CG2-CG1 3.63Å; V108-V154 PolarHBondContact N-O 2.99Å; I128-V154 HydrophobicContact CG2-CG1 4.5Å; I132-V154 HydrophobicContact CD1-CG1 4.06Å; I132-V154 HydrophobicContact CD1-CG2 3.85Å; I132-V154 HydrophobicContact CG1-CG1 3.89Å; I132-V154 HydrophobicContact CG1-CG2 4Å; K150-V154 PolarHBondContact O-N 2.81Å; Q152-V154 VanDerWaalsContact C-N 3.32Å; V154-V162 HydrophobicContact CG1-CG1 3.39Å; V154-L164 HydrophobicContact CG2-CD2 3.88Å |
| 155 | L | 95.4 | Very high | 91.1 | Very high | 40 Ų | 40 | 23.2 Ų | 23.2 | 21% | 0.209 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 160.4 | -177.2 | -54.7 | -169.9 | 0 | 0 | 0 | 112.7 | C103 G106 V162 K163 V165 | C103-L155 HydrophobicContact CB-CB 3.52Å; C103-L155 HydrophobicContact CB-CD1 3.83Å; C103-L155 HydrophobicContact CB-CG 4.34Å; G106-L155 WeakPolarHBondContact O-CA 3.35Å; L155-V162 WeakPolarHBondContact O-CA 3.4Å; L155-K163 PolarHBondContact N-O 2.86Å; L155-K163 PolarHBondContact O-N 2.94Å; L155-V165 HydrophobicContact CD1-CB 4.45Å; L155-V165 HydrophobicContact CD1-CG1 3.68Å; L155-V165 HydrophobicContact CD1-CG2 4Å; L155-V165 HydrophobicContact CD2-CG2 4.33Å; L155-V165 HydrophobicContact CG-CG1 3.94Å; L155-V165 HydrophobicContact CG-CG2 3.77Å |
| 156 | L | 95.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.4 | 179.8 | -66.6 | 164.2 | 0 | 0 | 0 | 110.6 | C103 A105 G106 V108 L111 E161 V162 I306 | C103-L156 CarbonylContact C-O 3.47Å; C103-L156 WeakPolarHBondContact CB-O 3.27Å; A105-L156 HydrophobicContact CB-CB 3.77Å; A105-L156 WeakPolarHBondContact CB-O 3.48Å; A105-L156 PolarHBondContact N-O 2.81Å; G106-L156 PolarHBondContact O-N 2.86Å; V108-L156 HydrophobicContact CG2-CD1 4.35Å; V108-L156 HydrophobicContact CG2-CG 4.41Å; L111-L156 HydrophobicContact CB-CD1 4.06Å; L111-L156 HydrophobicContact CD2-CD1 3.86Å; L111-L156 HydrophobicContact CG-CD1 4.41Å; L156-E161 WeakPolarHBondContact CA-O 3.38Å; L156-V162 HydrophobicContact CD2-CG2 3.77Å; L156-I306 HydrophobicContact CB-CD1 4.46Å; L156-I306 HydrophobicContact CD1-CD1 4.4Å |
| 157 | T | 93.7 | Very high | 90.2 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 6% | 0.055 | 13% | 0.131 | C | C | . | . | trans | -83.1 | 162.6 | 167.4 | 74.3 | 0 | 0 | 0 | 0 | 111.2 | N159 A160 E161 K163 | T157-N159 PolarHBondContact O-N 2.89Å; T157-N159 PolarHBondContact OG1-N 3.26Å; T157-A160 PolarHBondContact O-N 2.92Å; T157-E161 HydrophobicContact CG2-CB 4.12Å; T157-E161 PolarHBondContact N-O 3.14Å; T157-E161 WeakPolarHBondContact OG1-CB 3.44Å; T157-E161 PolarHBondContact OG1-N 2.86Å; T157-K163 HydrophobicContact CG2-CD 3.88Å | ||
| 158 | D | 91.3 | Very high | 88.9 | Confident | 54 Ų | 54 | 24.9 Ų | 24.9 | 29% | 0.289 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -16.3 | 170.2 | -73.9 | -21.9 | 0 | 0 | 0 | 113.7 | K303 R310 | D158-K303 WeakPolarHBondContact O-CE 3.32Å; D158-K303 WeakPolarHBondContact O-CG 3.19Å; D158-K303 PolarHBondContact O-NZ 3.37Å; D158-R310 IonicContact OD1-NH1 3.3Å; D158-R310 PolarHBondContact OD1-NH1 3.32Å; D158-R310 IonicContact OD2-CZ 2.62Å; D158-R310 IonicContact OD2-NH1 2.71Å; D158-R310 PolarHBondContact OD2-NH1 2.82Å |
| 159 | N | 92.3 | Very high | 87.4 | Confident | 89 Ų | 89 | 24.8 Ų | 24.8 | 48% | 0.476 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 12.2 | 177.3 | -64.1 | -41.8 | 0 | 0 | 0 | 113.4 | T157 E161 R299 | T157-N159 PolarHBondContact O-N 2.89Å; T157-N159 PolarHBondContact OG1-N 3.26Å; N159-E161 HydrophobicContact CB-CG 4.27Å; N159-R299 VanDerWaalsContact O-CZ 3.25Å; N159-R299 PolarHBondContact O-NE 3.46Å; N159-R299 PolarHBondContact O-NH2 3.35Å |
| 160 | A | 93.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | 57.2 | 43.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y127 T157 R299 L302 K303 I306 | Y127-A160 PolarHBondContact OH-O 3.01Å; Y127-A160 VanDerWaalsContact OH-O 3.11Å; T157-A160 PolarHBondContact O-N 2.92Å; A160-R299 HydrophobicContact CB-CG 4.07Å; A160-L302 HydrophobicContact CB-CB 4.27Å; A160-L302 HydrophobicContact CB-CD2 4.16Å; A160-L302 HydrophobicContact CB-CG 4.01Å; A160-K303 HydrophobicContact CB-CB 3.96Å; A160-K303 HydrophobicContact CB-CG 4.46Å; A160-I306 HydrophobicContact CB-CD1 4.11Å | ||
| 161 | E | 95.1 | Very high | 83.3 | Confident | 55 Ų | 55 | 24.6 Ų | 24.6 | 26% | 0.257 | 13% | 0.131 | S | C | . | . | trans | -103.7 | 129.9 | 174.5 | -57.3 | 176.2 | 143.6 | 0 | 0 | 109.9 | L156 T157 N159 R299 | L156-E161 WeakPolarHBondContact CA-O 3.38Å; T157-E161 HydrophobicContact CG2-CB 4.12Å; T157-E161 PolarHBondContact N-O 3.14Å; T157-E161 WeakPolarHBondContact OG1-CB 3.44Å; T157-E161 PolarHBondContact OG1-N 2.86Å; N159-E161 HydrophobicContact CB-CG 4.27Å; E161-R299 VanDerWaalsContact CG-CZ 3.5Å; E161-R299 IonicContact OE1-CZ 3.49Å; E161-R299 IonicContact OE1-NH1 2.68Å; E161-R299 PolarHBondContact OE1-NH1 2.92Å; E161-R299 VanDerWaalsContact OE1-NH1 3.12Å; E161-R299 IonicContact OE1-NH2 3.49Å; E161-R299 PolarHBondContact OE1-NH2 3.03Å | ||
| 162 | V | 96.9 | Very high | 81.1 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.8 | -172.9 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | N78 Y127 I128 E131 I132 V154 L155 L156 | N78-V162 WeakPolarHBondContact CA-O 3.04Å; N78-V162 PolarHBondContact ND2-O 3.4Å; Y127-V162 HydrophobicContact CD1-CG2 4.49Å; Y127-V162 HydrophobicContact CE1-CG2 4.09Å; I128-V162 HydrophobicContact CG1-CG2 4.06Å; I128-V162 HydrophobicContact CG2-CG1 4.23Å; E131-V162 HydrophobicContact CB-CB 3.58Å; E131-V162 HydrophobicContact CB-CG1 3.97Å; E131-V162 HydrophobicContact CB-CG2 4Å; E131-V162 HydrophobicContact CG-CB 4.13Å; E131-V162 HydrophobicContact CG-CG2 4.13Å; I132-V162 HydrophobicContact CG1-CG1 4.27Å; V154-V162 HydrophobicContact CG1-CG1 3.39Å; L155-V162 WeakPolarHBondContact O-CA 3.4Å; L156-V162 HydrophobicContact CD2-CG2 3.77Å |
| 163 | K | 95.3 | Very high | 78.7 | Confident | 10 Ų | 10 | 24.9 Ų | 24.9 | 4% | 0.043 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.8 | -175.4 | -76.6 | 168.6 | 173.7 | -87.2 | 0 | 112.2 | R77 N78 I79 E101 L155 T157 | R77-K163 VanDerWaalsContact O-CE 3.31Å; R77-K163 WeakPolarHBondContact O-CE 3.49Å; R77-K163 WeakPolarHBondContact O-CG 3.44Å; R77-K163 PolarHBondContact O-NZ 3.05Å; N78-K163 WeakPolarHBondContact O-CA 3.45Å; I79-K163 PolarHBondContact O-NZ 2.81Å; E101-K163 WeakPolarHBondContact OE1-CE 3.09Å; E101-K163 IonicContact OE1-NZ 3.09Å; E101-K163 PolarHBondContact OE1-NZ 3.05Å; E101-K163 WeakPolarHBondContact OE2-CE 3.19Å; E101-K163 IonicContact OE2-NZ 2.78Å; E101-K163 PolarHBondContact OE2-NZ 2.94Å; L155-K163 PolarHBondContact N-O 2.86Å; L155-K163 PolarHBondContact O-N 2.94Å; T157-K163 HydrophobicContact CG2-CD 3.88Å |
| 164 | L | 93 | Very high | 75.9 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 141.6 | 173.5 | -57.5 | -177.4 | 0 | 0 | 0 | 111.4 | N78 A80 I132 L136 L139 I149 V154 | N78-L164 PolarHBondContact O-N 3.45Å; A80-L164 PolarHBondContact N-O 2.93Å; A80-L164 VanDerWaalsContact N-O 3.12Å; I132-L164 HydrophobicContact CG1-CD2 4.21Å; I132-L164 HydrophobicContact CG2-CD2 4.18Å; L136-L164 HydrophobicContact CD2-CD1 4.28Å; L136-L164 HydrophobicContact CG-CD1 4.35Å; L139-L164 HydrophobicContact CD1-CD1 4.23Å; I149-L164 HydrophobicContact CD1-CD1 4.2Å; I149-L164 HydrophobicContact CD1-CD2 3.99Å; V154-L164 HydrophobicContact CG2-CD2 3.88Å |
| 165 | V | 87.4 | Confident | 73.1 | Confident | 10 Ų | 10 | 38.1 Ų | 38.1 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | trans | -136.3 | 169.1 | 176.8 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | A80 H146 N153 L155 F167 | A80-V165 HydrophobicContact CB-CG1 3.72Å; H146-V165 PolarHBondContact CE1-O 3.02Å; H146-V165 PolarHBondContact NE2-O 2.97Å; N153-V165 HydrophobicContact CB-CG2 4.44Å; N153-V165 WeakPolarHBondContact O-CG2 2.99Å; N153-V165 PolarHBondContact O-N 3.01Å; N153-V165 VanDerWaalsContact O-N 3.14Å; L155-V165 HydrophobicContact CD1-CB 4.45Å; L155-V165 HydrophobicContact CD1-CG1 3.68Å; L155-V165 HydrophobicContact CD1-CG2 4Å; L155-V165 HydrophobicContact CD2-CG2 4.33Å; L155-V165 HydrophobicContact CG-CG1 3.94Å; L155-V165 HydrophobicContact CG-CG2 3.77Å; V165-F167 VanDerWaalsContact C-N 3.3Å; V165-F167 PolarHBondContact O-N 2.82Å | ||
| 166 | D | 77.4 | Confident | 70.2 | Confident | 62 Ų | 62 | 37.8 Ų | 37.8 | 33% | 0.332 | 20% | 0.197 | S | C | . | . | trans | 57.6 | 33 | 173.1 | -74.8 | -54.5 | 0 | 0 | 0 | 116.4 | K51 G168 | K51-D166 IonicContact NZ-OD1 2.64Å; K51-D166 PolarHBondContact NZ-OD1 2.67Å; D166-G168 PolarHBondContact O-N 2.76Å; D166-G168 VanDerWaalsContact O-N 3.12Å | ||
| 167 | F | 69.2 | Low | 67.3 | Low | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -74 | 16.4 | 165.8 | 54.1 | -87.5 | 0 | 0 | 0 | 113.9 | L70 L73 I79 V165 V169 S170 | L70-F167 HydrophobicContact CD2-CE1 4.35Å; L70-F167 HydrophobicContact CD2-CE2 3.7Å; L70-F167 HydrophobicContact CD2-CZ 3.59Å; L70-F167 HydrophobicContact CG-CE2 4.43Å; L73-F167 HydrophobicContact CB-CE2 4.48Å; L73-F167 HydrophobicContact CD1-CE2 4.33Å; I79-F167 HydrophobicContact CG2-CE1 3.63Å; I79-F167 HydrophobicContact CG2-CZ 3.83Å; V165-F167 VanDerWaalsContact C-N 3.3Å; V165-F167 PolarHBondContact O-N 2.82Å; F167-V169 PolarHBondContact O-N 2.83Å; F167-S170 WeakPolarHBondContact O-CB 3.43Å; F167-S170 PolarHBondContact O-N 2.78Å; F167-S170 PolarHBondContact O-OG 2.95Å |
| 168 | G | 52.6 | Low | 64.4 | Low | 16 Ų | 16 | 47 Ų | 47 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -61.6 | -27.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E66 D166 S170 | E66-G168 WeakPolarHBondContact OE1-CA 2.97Å; D166-G168 PolarHBondContact O-N 2.76Å; D166-G168 VanDerWaalsContact O-N 3.12Å; G168-S170 PolarHBondContact O-N 2.83Å |
| 169 | V | 52.8 | Low | 61.8 | Low | 22 Ų | 22 | 52 Ų | 52 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -74.8 | -1 | 174.4 | -64.2 | 0 | 0 | 0 | 0 | 114.1 | R147 D148 F167 A171 R180 I184 | R147-V169 HydrophobicContact CB-CG2 4.38Å; R147-V169 WeakPolarHBondContact CD-O 3.5Å; R147-V169 PolarHBondContact NH1-O 3.42Å; D148-V169 HydrophobicContact CB-CG2 4.27Å; F167-V169 PolarHBondContact O-N 2.83Å; V169-A171 PolarHBondContact O-N 2.93Å; V169-R180 PolarHBondContact O-NH1 2.83Å; V169-I184 HydrophobicContact CB-CD1 4.35Å; V169-I184 HydrophobicContact CB-CG2 3.81Å; V169-I184 HydrophobicContact CG1-CD1 3.93Å; V169-I184 HydrophobicContact CG1-CG1 3.92Å; V169-I184 HydrophobicContact CG1-CG2 3.85Å; V169-I184 HydrophobicContact CG2-CG2 4.15Å |
| 170 | S | 51.3 | Low | 59.3 | Low | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 133.1 | 170.8 | -65.9 | 0 | 0 | 0 | 0 | 111 | V144 I145 F167 G168 R180 | V144-S170 WeakPolarHBondContact CG1-OG 3.45Å; I145-S170 WeakPolarHBondContact O-CA 3.26Å; I145-S170 WeakPolarHBondContact O-CB 2.92Å; I145-S170 PolarHBondContact O-OG 2.99Å; F167-S170 WeakPolarHBondContact O-CB 3.43Å; F167-S170 PolarHBondContact O-N 2.78Å; F167-S170 PolarHBondContact O-OG 2.95Å; G168-S170 PolarHBondContact O-N 2.83Å; S170-R180 PolarHBondContact O-NH1 2.68Å |
| 171 | A | 47.1 | Very low | 56.5 | Low | 3 Ų | 3 | 53.3 Ų | 53.3 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 131.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | V169 L173 | V169-A171 PolarHBondContact O-N 2.93Å; A171-L173 PolarHBondContact O-N 2.83Å |
| 172 | Q | 47.1 | Very low | 53.6 | Low | 70 Ų | 70 | 54.7 Ų | 54.7 | 33% | 0.327 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -62.4 | 129.2 | 150.2 | -66.5 | -174.5 | 6.3 | 0 | 0 | 106.7 | L65 T69 D174 K175 | L65-Q172 HydrophobicContact CD2-CG 4.22Å; T69-Q172 PolarHBondContact OG1-NE2 3.23Å; Q172-D174 PolarHBondContact O-N 2.91Å; Q172-K175 PolarHBondContact O-N 2.85Å |
| 173 | L | 38.3 | Very low | 50.9 | Low | 53 Ų | 53 | 61 Ų | 61 | 28% | 0.277 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -10.4 | -161.4 | -99.2 | 161.8 | 0 | 0 | 0 | 116.6 | R143 I145 A171 F177 | R143-L173 HydrophobicContact CB-CD1 4.18Å; I145-L173 HydrophobicContact CD1-CD1 4.12Å; I145-L173 HydrophobicContact CD1-CD2 4.06Å; I145-L173 HydrophobicContact CD1-CG 4.08Å; A171-L173 PolarHBondContact O-N 2.83Å; L173-F177 VanDerWaalsContact O-CE2 3.25Å; L173-F177 WeakPolarHBondContact O-CE2 3.26Å |
| 174 | D | 32.5 | Very low | 48.7 | Very low | 120 Ų | 120 | 61.8 Ų | 61.8 | 64% | 0.642 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | -7.1 | -167.1 | -55.8 | -44.4 | 0 | 0 | 0 | 115.2 | Q172 | Q172-D174 PolarHBondContact O-N 2.91Š|
| 175 | K | 37.4 | Very low | 46.9 | Very low | 168 Ų | 168 | 62.5 Ų | 62.5 | 73% | 0.73 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.1 | -30.5 | -166.5 | -68.8 | -172.8 | 179.2 | 179.3 | 0 | 119.3 | Q172 | Q172-K175 PolarHBondContact O-N 2.85Š|
| 176 | T | 34.8 | Very low | 45.9 | Very low | 33 Ų | 33 | 64.5 Ų | 64.5 | 20% | 0.202 | 35% | 0.345 | C | S | . | . | trans | -102.1 | 24.1 | -161.8 | -24.8 | 0 | 0 | 0 | 0 | 116.1 | G178 | T176-G178 VanDerWaalsContact C-N 3.27Å; T176-G178 PolarHBondContact O-N 3.45Å | ||
| 177 | F | 34.2 | Very low | 45.8 | Very low | 125 Ų | 125 | 61.9 Ų | 61.9 | 55% | 0.548 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -9.8 | -173.6 | -71.1 | -84.7 | 0 | 0 | 0 | 116.3 | L173 T204 | L173-F177 VanDerWaalsContact O-CE2 3.25Å; L173-F177 WeakPolarHBondContact O-CE2 3.26Å; F177-T204 HydrophobicContact CE1-CG2 4.12Å; F177-T204 HydrophobicContact CZ-CG2 3.87Å |
| 178 | G | 33.2 | Very low | 46.7 | Very low | 79 Ų | 79 | 63.3 Ų | 63.3 | 81% | 0.814 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -20.2 | -161 | 0 | 0 | 0 | 0 | 0 | 118.9 | T176 | T176-G178 VanDerWaalsContact C-N 3.27Å; T176-G178 PolarHBondContact O-N 3.45Å |
| 179 | K | 36.8 | Very low | 48.5 | Very low | 158 Ų | 158 | 63.9 Ų | 63.9 | 69% | 0.687 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | -28.6 | -165.6 | -83.2 | -172.6 | 173.2 | -175.1 | 0 | 116.8 | N181 | K179-N181 VanDerWaalsContact C-N 3.26Å; K179-N181 PolarHBondContact O-N 2.9Å |
| 180 | R | 39.3 | Very low | 50.1 | Low | 47 Ų | 47 | 63.6 Ų | 63.6 | 18% | 0.177 | 33% | 0.332 | C | S | . | . | trans | -76.9 | 73.6 | -172 | -67.8 | -179.7 | -178.4 | 162.5 | -6.3 | 112.4 | E62 V169 S170 T182 I184 | E62-R180 IonicContact OE1-CZ 2.77Å; E62-R180 IonicContact OE1-NE 3.51Å; E62-R180 PolarHBondContact OE1-NE 2.77Å; E62-R180 IonicContact OE1-NH2 3.12Å; E62-R180 PolarHBondContact OE1-NH2 3.36Å; E62-R180 IonicContact OE2-NE 3.58Å; E62-R180 IonicContact OE2-NH2 2.66Å; V169-R180 PolarHBondContact O-NH1 2.83Å; S170-R180 PolarHBondContact O-NH1 2.68Å; R180-T182 VanDerWaalsContact C-N 3.3Å; R180-I184 HydrophobicContact CB-CD1 4.24Å | ||
| 181 | N | 34.4 | Very low | 51.8 | Low | 69 Ų | 69 | 63.1 Ų | 63.1 | 37% | 0.369 | 33% | 0.329 | S | S | . | . | trans | -97.1 | 13.4 | 169.6 | -140.1 | 88.4 | 0 | 0 | 0 | 110.9 | K179 R1700 P1701 | K179-N181 VanDerWaalsContact C-N 3.26Å; K179-N181 PolarHBondContact O-N 2.9Å; N181-R1700 PolarHBondContact OD1-NE 3.36Å; N181-P1701 PolarHBondContact ND2-O 2.82Å | ||
| 182 | T | 35 | Very low | 53.5 | Low | 84 Ų | 84 | 63.8 Ų | 63.8 | 52% | 0.515 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -81.9 | 157.5 | 172.2 | 34.1 | 0 | 0 | 0 | 0 | 111.5 | R180 I184 | R180-T182 VanDerWaalsContact C-N 3.3Å; T182-I184 PolarHBondContact O-N 2.74Å |
| 183 | F | 40.1 | Very low | 55.2 | Low | 134 Ų | 134 | 61.6 Ų | 61.6 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | trans | -66.8 | 91.1 | -170.4 | -176.5 | -98.8 | 0 | 0 | 0 | 112.5 | Y1702 | F183-Y1702 HydrophobicContact CD2-CD1 4.16Å; F183-Y1702 AromaticContact CD2-CE1 3.86Å; F183-Y1702 HydrophobicContact CD2-CE1 3.86Å; F183-Y1702 AromaticContact CE2-CE1 3.98Å; F183-Y1702 HydrophobicContact CE2-CE1 3.98Å | ||
| 184 | I | 49.8 | Very low | 56.9 | Low | 26 Ų | 26 | 59.6 Ų | 59.6 | 13% | 0.133 | 31% | 0.312 | C | S | . | . | trans | -121.6 | 127 | -176.1 | -69.4 | 169 | 0 | 0 | 0 | 110.4 | Y33 V169 R180 T182 | Y33-I184 WeakPolarHBondContact OH-CG1 3.39Å; V169-I184 HydrophobicContact CB-CD1 4.35Å; V169-I184 HydrophobicContact CB-CG2 3.81Å; V169-I184 HydrophobicContact CG1-CD1 3.93Å; V169-I184 HydrophobicContact CG1-CG1 3.92Å; V169-I184 HydrophobicContact CG1-CG2 3.85Å; V169-I184 HydrophobicContact CG2-CG2 4.15Å; R180-I184 HydrophobicContact CB-CD1 4.24Å; T182-I184 PolarHBondContact O-N 2.74Å | ||
| 185 | G | 54 | Low | 58.7 | Low | 17 Ų | 17 | 54.3 Ų | 54.3 | 18% | 0.175 | 28% | 0.284 | C | S | . | . | trans | 97.9 | 130.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1702 | G185-Y1702 PolarHBondContact O-OH 3.21Š| ||
| 186 | T | 66.8 | Low | 59.8 | Low | 51 Ų | 51 | 49.5 Ų | 49.5 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | trans | -87.3 | 118.5 | 171 | -42.3 | 0 | 0 | 0 | 0 | 108.7 | K150 Y188 W189 | K150-T186 PolarHBondContact NZ-OG1 3.24Å; T186-Y188 VanDerWaalsContact C-N 3.29Å; T186-Y188 HydrophobicContact CG2-CD2 4.07Å; T186-Y188 HydrophobicContact CG2-CE2 4.2Å; T186-Y188 PolarHBondContact O-N 3.45Å; T186-W189 HydrophobicContact CG2-CE3 4.14Å; T186-W189 HydrophobicContact CG2-CZ3 3.63Å; T186-W189 PolarHBondContact O-N 2.75Å | ||
| 187 | P | 75.5 | Confident | 60.8 | Low | 7 Ų | 7 | 50 Ų | 50 | 5% | 0.045 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -67.6 | -21.4 | -154.2 | 17.3 | -28.6 | 0 | 0 | 0 | 116.4 | W189 M190 P233 L237 I240 | P187-W189 PolarHBondContact O-N 2.93Å; P187-M190 HydrophobicContact CB-SD 3.96Å; P187-M190 WeakPolarHBondContact O-CB 3.46Å; P187-M190 PolarHBondContact O-N 3.18Å; P187-M190 VanDerWaalsContact O-N 3.07Å; P187-P233 HydrophobicContact CG-CB 3.85Å; P187-P233 HydrophobicContact CG-CG 4.47Å; P187-L237 HydrophobicContact CB-CD1 4.27Å; P187-L237 HydrophobicContact CB-CD2 3.66Å; P187-L237 HydrophobicContact CB-CG 3.75Å; P187-I240 WeakPolarHBondContact O-CD1 3.16Å |
| 188 | Y | 88 | Confident | 61.3 | Low | 38 Ų | 38 | 48 Ų | 48 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -63.1 | -24.5 | -179.9 | -41.8 | -66.2 | 0 | 0 | 0 | 113.4 | T186 P226 L228 C229 M231 A236 | T186-Y188 VanDerWaalsContact C-N 3.29Å; T186-Y188 HydrophobicContact CG2-CD2 4.07Å; T186-Y188 HydrophobicContact CG2-CE2 4.2Å; T186-Y188 PolarHBondContact O-N 3.45Å; Y188-P226 HydrophobicContact CD2-CG 4.42Å; Y188-P226 HydrophobicContact CG-CG 4.31Å; Y188-L228 WeakPolarHBondContact CE1-O 3.48Å; Y188-C229 HydrophobicContact CD1-CB 4.43Å; Y188-C229 HydrophobicContact CD2-CB 4.42Å; Y188-C229 HydrophobicContact CG-CB 4.37Å; Y188-M231 PolarHBondContact OH-O 3.47Å; Y188-A236 HydrophobicContact CD1-CB 3.7Å; Y188-A236 HydrophobicContact CE1-CB 3.62Å |
| 189 | W | 90.8 | Very high | 61.9 | Low | 29 Ų | 29 | 50.2 Ų | 50.2 | 11% | 0.11 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -98.4 | -3 | 175.8 | -62 | -104.8 | 0 | 0 | 0 | 113.6 | K150 T186 P187 S213 I216 E220 P226 | K150-W189 HydrophobicContact CB-CD2 3.69Å; K150-W189 VanDerWaalsContact CB-CE2 3.42Å; K150-W189 HydrophobicContact CB-CE3 4.32Å; K150-W189 HydrophobicContact CB-CG 3.89Å; K150-W189 HydrophobicContact CB-CH2 4.44Å; K150-W189 HydrophobicContact CB-CZ2 3.84Å; K150-W189 HydrophobicContact CD-CE3 4.45Å; K150-W189 HydrophobicContact CD-CZ3 4.46Å; T186-W189 HydrophobicContact CG2-CE3 4.14Å; T186-W189 HydrophobicContact CG2-CZ3 3.63Å; T186-W189 PolarHBondContact O-N 2.75Å; P187-W189 PolarHBondContact O-N 2.93Å; W189-S213 WeakPolarHBondContact O-CB 3.48Å; W189-S213 PolarHBondContact O-OG 3.48Å; W189-I216 HydrophobicContact CB-CG2 4.34Å; W189-I216 VanDerWaalsContact CD1-CG2 3.43Å; W189-I216 HydrophobicContact CD2-CG2 4.37Å; W189-I216 HydrophobicContact CG-CB 4.28Å; W189-I216 HydrophobicContact CG-CG2 3.77Å; W189-E220 HydrophobicContact CZ2-CG 4.38Å; W189-E220 WeakPolarHBondContact CZ2-OE2 3.3Å; W189-E220 PolarHBondContact NE1-OE2 2.79Å; W189-P226 HydrophobicContact CD2-CB 4.38Å; W189-P226 HydrophobicContact CD2-CG 4.45Å; W189-P226 HydrophobicContact CE3-CG 4.44Å; W189-P226 HydrophobicContact CH2-CG 3.67Å; W189-P226 HydrophobicContact CZ2-CB 4.08Å; W189-P226 HydrophobicContact CZ2-CG 3.63Å; W189-P226 HydrophobicContact CZ3-CG 4.07Å |
| 190 | M | 86.5 | Confident | 62 | Low | 15 Ų | 15 | 47.8 Ų | 47.8 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | trans | -70.5 | 138.1 | -179.3 | -70.2 | 174.3 | 73.9 | 0 | 0 | 111.2 | P187 V194 I195 W212 L237 | P187-M190 HydrophobicContact CB-SD 3.96Å; P187-M190 WeakPolarHBondContact O-CB 3.46Å; P187-M190 PolarHBondContact O-N 3.18Å; P187-M190 VanDerWaalsContact O-N 3.07Å; M190-V194 HydrophobicContact CE-CG1 3.69Å; M190-I195 HydrophobicContact CB-CG1 4.35Å; M190-I195 HydrophobicContact CE-CG1 4.31Å; M190-W212 PolarHBondContact O-NE1 2.8Å; M190-L237 HydrophobicContact CE-CD2 4.5Å; M190-L237 HydrophobicContact SD-CD2 4.06Å | ||
| 191 | A | 87.1 | Confident | 62.2 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -79 | 151 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E193 V194 I195 W212 | A191-E193 VanDerWaalsContact C-N 3.28Å; A191-E193 VanDerWaalsContact CB-CD 3.48Å; A191-E193 WeakPolarHBondContact CB-OE1 3.18Å; A191-E193 WeakPolarHBondContact CB-OE2 3.41Å; A191-E193 PolarHBondContact O-N 2.73Å; A191-V194 HydrophobicContact CB-CG2 4.09Å; A191-V194 WeakPolarHBondContact O-CB 3.18Å; A191-V194 PolarHBondContact O-N 3.43Å; A191-I195 PolarHBondContact O-N 3.19Å; A191-W212 VanDerWaalsContact CA-CD1 3.44Å; A191-W212 HydrophobicContact CB-CB 3.71Å; A191-W212 HydrophobicContact CB-CD2 4.27Å; A191-W212 HydrophobicContact CB-CG 3.65Å | ||
| 192 | P | 83.1 | Confident | 62.5 | Low | 16 Ų | 16 | 53.2 Ų | 53.2 | 10% | 0.104 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -38.4 | -176.7 | -24.4 | 33.2 | 0 | 0 | 0 | 113.6 | V194 I195 H196 W212 I240 K272 | P192-V194 VanDerWaalsContact C-N 3.34Å; P192-V194 PolarHBondContact O-N 2.88Å; P192-I195 PolarHBondContact O-N 3.45Å; P192-H196 PolarHBondContact O-N 3.45Å; P192-W212 HydrophobicContact CG-CE3 4.28Å; P192-W212 HydrophobicContact CG-CH2 3.68Å; P192-W212 HydrophobicContact CG-CZ2 3.99Å; P192-W212 HydrophobicContact CG-CZ3 3.83Å; P192-I240 HydrophobicContact CG-CG2 4.17Å; P192-K272 HydrophobicContact CG-CG 4.11Å |
| 193 | E | 80.9 | Confident | 62.9 | Low | 24 Ų | 24 | 51.3 Ų | 51.3 | 11% | 0.112 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -31.8 | 177.7 | 70.2 | -75.8 | -179.4 | 0 | 0 | 113.1 | A191 I195 H196 S209 F274 R277 | A191-E193 VanDerWaalsContact C-N 3.28Å; A191-E193 VanDerWaalsContact CB-CD 3.48Å; A191-E193 WeakPolarHBondContact CB-OE1 3.18Å; A191-E193 WeakPolarHBondContact CB-OE2 3.41Å; A191-E193 PolarHBondContact O-N 2.73Å; E193-I195 PolarHBondContact O-N 2.87Å; E193-H196 PolarHBondContact O-N 3.15Å; E193-S209 PolarHBondContact OE1-OG 2.99Å; E193-F274 HydrophobicContact CB-CB 4.35Å; E193-F274 HydrophobicContact CG-CB 3.96Å; E193-F274 HydrophobicContact CG-CG 4.31Å; E193-R277 IonicContact OE1-CZ 2.73Å; E193-R277 IonicContact OE1-NH1 2.66Å; E193-R277 PolarHBondContact OE1-NH1 3.2Å; E193-R277 IonicContact OE1-NH2 3Å; E193-R277 PolarHBondContact OE1-NH2 3.36Å; E193-R277 IonicContact OE2-CZ 2.75Å; E193-R277 IonicContact OE2-NH1 3.28Å; E193-R277 PolarHBondContact OE2-NH1 3.39Å; E193-R277 IonicContact OE2-NH2 2.59Å; E193-R277 PolarHBondContact OE2-NH2 2.81Å |
| 194 | V | 75.9 | Confident | 63.5 | Low | 12 Ų | 12 | 47.8 Ų | 47.8 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -27.4 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | M190 A191 P192 H196 Y205 | M190-V194 HydrophobicContact CE-CG1 3.69Å; A191-V194 HydrophobicContact CB-CG2 4.09Å; A191-V194 WeakPolarHBondContact O-CB 3.18Å; A191-V194 PolarHBondContact O-N 3.43Å; P192-V194 VanDerWaalsContact C-N 3.34Å; P192-V194 PolarHBondContact O-N 2.88Å; V194-H196 VanDerWaalsContact C-N 3.31Å; V194-Y205 HydrophobicContact CB-CE1 4.38Å; V194-Y205 HydrophobicContact CG1-CD1 4.39Å; V194-Y205 HydrophobicContact CG1-CE1 3.55Å; V194-Y205 HydrophobicContact CG2-CD1 4.02Å; V194-Y205 HydrophobicContact CG2-CE1 3.99Å |
| 195 | I | 69.8 | Low | 64 | Low | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -16.3 | 175 | -52.8 | 169.9 | 0 | 0 | 0 | 111 | M190 A191 P192 E193 L237 I240 M241 P1699 | M190-I195 HydrophobicContact CB-CG1 4.35Å; M190-I195 HydrophobicContact CE-CG1 4.31Å; A191-I195 PolarHBondContact O-N 3.19Å; P192-I195 PolarHBondContact O-N 3.45Å; E193-I195 PolarHBondContact O-N 2.87Å; I195-L237 HydrophobicContact CD1-CD2 3.65Å; I195-L237 HydrophobicContact CG1-CD2 3.81Å; I195-L237 HydrophobicContact CG2-CD2 4.31Å; I195-I240 HydrophobicContact CD1-CB 4.03Å; I195-I240 HydrophobicContact CD1-CG2 3.68Å; I195-M241 HydrophobicContact CB-CG 4.31Å; I195-M241 HydrophobicContact CB-SD 4.34Å; I195-M241 HydrophobicContact CD1-CG 4.32Å; I195-M241 HydrophobicContact CG2-CE 4.35Å; I195-M241 HydrophobicContact CG2-CG 4.02Å; I195-M241 HydrophobicContact CG2-SD 3.72Å; I195-P1699 HydrophobicContact CG2-CG 4.43Å; I195-P1699 WeakPolarHBondContact O-CG 3.19Å |
| 196 | H | 60.8 | Low | 65 | Low | 68 Ų | 68 | 50.5 Ų | 50.5 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | trans | -103.3 | 0.9 | -163.1 | -144.8 | 74.5 | 0 | 0 | 0 | 116.1 | P192 E193 V194 E198 K1680 | P192-H196 PolarHBondContact O-N 3.45Å; E193-H196 PolarHBondContact O-N 3.15Å; V194-H196 VanDerWaalsContact C-N 3.31Å; H196-E198 PolarHBondContact O-N 3.3Å; H196-K1680 PolarHBondContact NE2-NZ 3.26Å | ||
| 197 | C | 55.3 | Low | 65.9 | Low | 43 Ų | 43 | 49.1 Ų | 49.1 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 26.1 | -175.7 | -62.4 | 0 | 0 | 0 | 0 | 116.7 | C203 | C197-C203 PolarHBondContact SG-O 3.43Å; C197-C203 VanDerWaalsContact SG-SG 3.68Å |
| 198 | E | 45.2 | Very low | 66.6 | Low | 82 Ų | 82 | 51.6 Ų | 51.6 | 38% | 0.383 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -14.6 | 176.8 | -152.5 | -176.2 | -142.6 | 0 | 0 | 113.3 | H196 Q1623 K1682 W1697 | H196-E198 PolarHBondContact O-N 3.3Å; E198-Q1623 VanDerWaalsContact CD-NE2 3.34Å; E198-Q1623 PolarHBondContact OE1-NE2 2.59Å; E198-Q1623 PolarHBondContact OE2-NE2 3.03Å; E198-K1682 IonicContact OE2-NZ 3.42Å; E198-W1697 PolarHBondContact OE1-NE1 3.14Å; E198-W1697 VanDerWaalsContact OE1-NE1 3.13Å |
| 199 | Q | 44.6 | Very low | 66.7 | Low | 127 Ų | 127 | 49.9 Ų | 49.9 | 59% | 0.593 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -108.5 | -38.6 | -172.9 | -61.1 | -162.8 | -102.7 | 0 | 0 | 115.7 | ||
| 200 | D | 39.6 | Very low | 66.7 | Low | 107 Ų | 107 | 48.5 Ų | 48.5 | 57% | 0.572 | 27% | 0.272 | S | S | * | . | trans | -117.9 | 124.5 | -175 | -80.7 | -61.6 | 0 | 0 | 0 | 112.9 | S202 C203 | D200-S202 PolarHBondContact O-N 3.03Å; D200-C203 HydrophobicContact CB-CB 3.99Å; D200-C203 WeakPolarHBondContact O-CB 3.38Å; D200-C203 PolarHBondContact O-N 2.85Å | ||
| 201 | S | 42.7 | Very low | 67.1 | Low | 136 Ų | 136 | 47.8 Ų | 47.8 | 95% | 0.951 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -12.7 | 172.3 | -60.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 202 | S | 41.2 | Very low | 67.5 | Low | 93 Ų | 93 | 48 Ų | 48 | 65% | 0.65 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -4.8 | 170.7 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | D200 T204 | D200-S202 PolarHBondContact O-N 3.03Å; S202-T204 PolarHBondContact O-N 2.89Å |
| 203 | C | 44.3 | Very low | 68 | Low | 44 Ų | 44 | 47.4 Ų | 47.4 | 30% | 0.297 | 27% | 0.266 | S | S | . | . | trans | -77 | 61.7 | 176.1 | -167.5 | 0 | 0 | 0 | 0 | 111 | C197 D200 | C197-C203 PolarHBondContact SG-O 3.43Å; C197-C203 VanDerWaalsContact SG-SG 3.68Å; D200-C203 HydrophobicContact CB-CB 3.99Å; D200-C203 WeakPolarHBondContact O-CB 3.38Å; D200-C203 PolarHBondContact O-N 2.85Å | ||
| 204 | T | 51.2 | Low | 68.8 | Low | 61 Ų | 61 | 46.3 Ų | 46.3 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 138.2 | 172.9 | 54.1 | 0 | 0 | 0 | 0 | 110.1 | F177 S202 D206 | F177-T204 HydrophobicContact CE1-CG2 4.12Å; F177-T204 HydrophobicContact CZ-CG2 3.87Å; S202-T204 PolarHBondContact O-N 2.89Å; T204-D206 PolarHBondContact O-N 3.08Å |
| 205 | Y | 61.2 | Low | 69.8 | Low | 50 Ų | 50 | 45.7 Ų | 45.7 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -48.8 | 125.1 | 162.5 | -78 | -116.3 | 0 | 0 | 0 | 109.6 | I145 R147 V194 | I145-Y205 WeakPolarHBondContact CD1-O 3.5Å; R147-Y205 HydrophobicContact CG-CD1 3.89Å; R147-Y205 HydrophobicContact CG-CE1 4.13Å; V194-Y205 HydrophobicContact CB-CE1 4.38Å; V194-Y205 HydrophobicContact CG1-CD1 4.39Å; V194-Y205 HydrophobicContact CG1-CE1 3.55Å; V194-Y205 HydrophobicContact CG2-CD1 4.02Å; V194-Y205 HydrophobicContact CG2-CE1 3.99Å |
| 206 | D | 74.6 | Confident | 71.1 | Confident | 49 Ų | 49 | 45.5 Ų | 45.5 | 26% | 0.262 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -102.9 | 153.6 | 174.2 | -169.4 | -69 | 0 | 0 | 0 | 110.2 | T204 R208 S209 F274 | T204-D206 PolarHBondContact O-N 3.08Å; D206-R208 PolarHBondContact O-N 3.2Å; D206-R208 VanDerWaalsContact O-N 3.11Å; D206-R208 WeakPolarHBondContact OD1-CG 3.49Å; D206-R208 PolarHBondContact OD1-N 3Å; D206-S209 VanDerWaalsContact O-CB 3.26Å; D206-S209 WeakPolarHBondContact O-CB 3.25Å; D206-S209 PolarHBondContact O-N 3.21Å; D206-S209 PolarHBondContact O-OG 2.59Å; D206-F274 HydrophobicContact CB-CD2 4.02Å; D206-F274 HydrophobicContact CB-CE2 3.31Å; D206-F274 HydrophobicContact CB-CZ 3.64Å; D206-F274 WeakPolarHBondContact OD2-CE2 3.41Å; D206-F274 WeakPolarHBondContact OD2-CZ 3.05Å |
| 207 | A | 84.8 | Confident | 72.8 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 19% | 0.19 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -30.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114 | H140 I145 S209 D210 | H140-A207 HydrophobicContact CB-CB 4.12Å; H140-A207 PolarHBondContact CE1-O 2.94Å; H140-A207 PolarHBondContact NE2-O 3.4Å; I145-A207 HydrophobicContact CG1-CB 4.48Å; A207-S209 PolarHBondContact O-N 3.1Å; A207-D210 PolarHBondContact O-N 2.8Å |
| 208 | R | 91.4 | Very high | 74.8 | Confident | 58 Ų | 58 | 40.2 Ų | 40.2 | 22% | 0.219 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68 | -13.6 | 174.5 | -64.6 | -177.3 | -153.6 | -163 | 13.6 | 114.1 | D206 D210 I211 W212 F274 H275 R277 | D206-R208 PolarHBondContact O-N 3.2Å; D206-R208 VanDerWaalsContact O-N 3.11Å; D206-R208 WeakPolarHBondContact OD1-CG 3.49Å; D206-R208 PolarHBondContact OD1-N 3Å; R208-D210 VanDerWaalsContact C-N 3.34Å; R208-I211 WeakPolarHBondContact O-CB 3.26Å; R208-I211 PolarHBondContact O-N 2.84Å; R208-W212 PolarHBondContact O-N 3Å; R208-F274 HydrophobicContact CB-CD2 3.8Å; R208-F274 HydrophobicContact CB-CE2 4.14Å; R208-F274 VanDerWaalsContact CD-O 3.23Å; R208-F274 WeakPolarHBondContact CD-O 3.48Å; R208-F274 HydrophobicContact CG-CD2 4.35Å; R208-F274 HydrophobicContact CG-CE2 4.33Å; R208-F274 PolarHBondContact NH1-O 3.38Å; R208-H275 PolarHBondContact NH1-O 3.34Å; R208-R277 WeakPolarHBondContact CD-O 3.29Å; R208-R277 PolarHBondContact NH1-O 2.7Å; R208-R277 WeakPolarHBondContact O-CD 3.36Å; R208-R277 PolarHBondContact O-NH1 3.05Å |
| 209 | S | 89.2 | Confident | 77.2 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 171.8 | -43.9 | 0 | 0 | 0 | 0 | 110.3 | E193 D206 A207 I211 W212 S213 | E193-S209 PolarHBondContact OE1-OG 2.99Å; D206-S209 VanDerWaalsContact O-CB 3.26Å; D206-S209 WeakPolarHBondContact O-CB 3.25Å; D206-S209 PolarHBondContact O-N 3.21Å; D206-S209 PolarHBondContact O-OG 2.59Å; A207-S209 PolarHBondContact O-N 3.1Å; S209-I211 PolarHBondContact O-N 2.83Å; S209-W212 WeakPolarHBondContact O-CB 3.22Å; S209-W212 PolarHBondContact O-N 2.66Å; S209-S213 PolarHBondContact O-N 2.87Å; S209-S213 PolarHBondContact O-OG 3.04Å |
| 210 | D | 91.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.6 | -25.7 | 177 | -64.9 | -16.1 | 0 | 0 | 0 | 112.2 | L136 H140 I145 H146 R147 I149 A207 R208 S213 L214 | L136-D210 HydrophobicContact CD1-CB 4.02Å; L136-D210 HydrophobicContact CD2-CB 3.76Å; H140-D210 IonicContact NE2-OD2 2.72Å; H140-D210 PolarHBondContact NE2-OD2 3.33Å; I145-D210 WeakPolarHBondContact CG2-OD2 3.36Å; H146-D210 WeakPolarHBondContact CB-OD2 3.22Å; H146-D210 PolarHBondContact N-OD2 2.81Å; R147-D210 WeakPolarHBondContact CA-OD1 3.22Å; R147-D210 PolarHBondContact N-OD1 2.87Å; I149-D210 HydrophobicContact CG1-CB 4.25Å; A207-D210 PolarHBondContact O-N 2.8Å; R208-D210 VanDerWaalsContact C-N 3.34Å; D210-S213 PolarHBondContact O-N 2.89Å; D210-L214 WeakPolarHBondContact O-CB 3.46Å; D210-L214 PolarHBondContact O-N 3.22Å |
| 211 | I | 95.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.4 | -36.4 | 174.4 | -63.9 | -53.1 | 0 | 0 | 0 | 112.2 | L133 L136 R208 S209 L214 G215 C269 R277 T280 L283 | L133-I211 HydrophobicContact CD2-CD1 3.83Å; L136-I211 HydrophobicContact CD1-CD1 4.42Å; R208-I211 WeakPolarHBondContact O-CB 3.26Å; R208-I211 PolarHBondContact O-N 2.84Å; S209-I211 PolarHBondContact O-N 2.83Å; I211-L214 HydrophobicContact CD1-CD2 4.42Å; I211-G215 PolarHBondContact O-N 2.97Å; I211-C269 HydrophobicContact CG2-CB 4.4Å; I211-R277 HydrophobicContact CG2-CG 4.03Å; I211-T280 HydrophobicContact CD1-CG2 3.49Å; I211-T280 VanDerWaalsContact CD1-CG2 3.49Å; I211-T280 HydrophobicContact CG1-CG2 4.37Å; I211-L283 HydrophobicContact CD1-CD2 3.97Å; I211-L283 HydrophobicContact CG2-CD2 3.62Å |
| 212 | W | 95 | Very high | 84.8 | Confident | 3 Ų | 3 | 19.4 Ų | 19.4 | 1% | 0.011 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.6 | -47.5 | 172 | 172.7 | -78.6 | 0 | 0 | 0 | 110.4 | M190 A191 P192 R208 S209 L214 G215 I216 I240 L270 K272 | M190-W212 PolarHBondContact O-NE1 2.8Å; A191-W212 VanDerWaalsContact CA-CD1 3.44Å; A191-W212 HydrophobicContact CB-CB 3.71Å; A191-W212 HydrophobicContact CB-CD2 4.27Å; A191-W212 HydrophobicContact CB-CG 3.65Å; P192-W212 HydrophobicContact CG-CE3 4.28Å; P192-W212 HydrophobicContact CG-CH2 3.68Å; P192-W212 HydrophobicContact CG-CZ2 3.99Å; P192-W212 HydrophobicContact CG-CZ3 3.83Å; R208-W212 PolarHBondContact O-N 3Å; S209-W212 WeakPolarHBondContact O-CB 3.22Å; S209-W212 PolarHBondContact O-N 2.66Å; W212-L214 VanDerWaalsContact C-N 3.28Å; W212-L214 PolarHBondContact O-N 2.81Å; W212-G215 CarbonylContact O-C 3.58Å; W212-G215 VanDerWaalsContact O-CA 3.32Å; W212-G215 WeakPolarHBondContact O-CA 3.35Å; W212-G215 PolarHBondContact O-N 3.11Å; W212-I216 PolarHBondContact O-N 2.76Å; W212-I240 HydrophobicContact CZ2-CG2 4.16Å; W212-L270 HydrophobicContact CD2-CD2 3.65Å; W212-L270 HydrophobicContact CE3-CB 4.27Å; W212-L270 HydrophobicContact CE3-CD2 3.92Å; W212-L270 HydrophobicContact CG-CD2 3.98Å; W212-L270 HydrophobicContact CZ2-CD2 4.32Å; W212-L270 HydrophobicContact CZ3-CB 4.15Å; W212-L270 HydrophobicContact CZ3-CD2 4.36Å; W212-L270 VanDerWaalsContact CZ3-O 3.24Å; W212-L270 WeakPolarHBondContact CZ3-O 3.25Å; W212-L270 WeakPolarHBondContact O-CD2 3.27Å; W212-K272 HydrophobicContact CH2-CG 4.21Å; W212-K272 HydrophobicContact CZ3-CG 4.08Å |
| 213 | S | 94.6 | Very high | 87.2 | Confident | 5 Ų | 5 | 17.4 Ų | 17.4 | 4% | 0.035 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62 | -34.7 | 179 | -53.6 | 0 | 0 | 0 | 0 | 112.4 | I149 W189 S209 D210 I216 T217 | I149-S213 WeakPolarHBondContact O-CB 3.49Å; W189-S213 WeakPolarHBondContact O-CB 3.48Å; W189-S213 PolarHBondContact O-OG 3.48Å; S209-S213 PolarHBondContact O-N 2.87Å; S209-S213 PolarHBondContact O-OG 3.04Å; D210-S213 PolarHBondContact O-N 2.89Å; S213-I216 PolarHBondContact O-N 2.97Å; S213-T217 WeakPolarHBondContact O-CB 3.42Å; S213-T217 PolarHBondContact O-N 2.92Å; S213-T217 PolarHBondContact O-OG1 2.79Å |
| 214 | L | 96.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 166.8 | 168.2 | 63.7 | 0 | 0 | 0 | 112.2 | I132 L133 I149 D210 I211 W212 I216 T217 A218 F265 L283 | I132-L214 HydrophobicContact CB-CD1 4.12Å; I132-L214 HydrophobicContact CD1-CD1 4.06Å; I132-L214 HydrophobicContact CG2-CD1 3.84Å; L133-L214 HydrophobicContact CD1-CD2 4.18Å; L133-L214 HydrophobicContact CD2-CD2 3.48Å; L133-L214 VanDerWaalsContact CD2-CD2 3.48Å; L133-L214 HydrophobicContact CG-CD2 3.56Å; I149-L214 HydrophobicContact CG2-CB 4.43Å; D210-L214 WeakPolarHBondContact O-CB 3.46Å; D210-L214 PolarHBondContact O-N 3.22Å; I211-L214 HydrophobicContact CD1-CD2 4.42Å; W212-L214 VanDerWaalsContact C-N 3.28Å; W212-L214 PolarHBondContact O-N 2.81Å; L214-I216 VanDerWaalsContact C-N 3.33Å; L214-I216 PolarHBondContact O-N 3.17Å; L214-T217 CarbonylContact O-C 3.55Å; L214-T217 WeakPolarHBondContact O-CB 3.35Å; L214-T217 PolarHBondContact O-N 3.31Å; L214-T217 VanDerWaalsContact O-N 3.16Å; L214-A218 PolarHBondContact O-N 2.86Å; L214-F265 HydrophobicContact CD2-CZ 4.27Å; L214-F265 HydrophobicContact CG-CZ 4.46Å; L214-L283 HydrophobicContact CD2-CD2 4.28Å |
| 215 | G | 97.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.4 | -42.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I211 W212 A218 L219 | I211-G215 PolarHBondContact O-N 2.97Å; W212-G215 CarbonylContact O-C 3.58Å; W212-G215 VanDerWaalsContact O-CA 3.32Å; W212-G215 WeakPolarHBondContact O-CA 3.35Å; W212-G215 PolarHBondContact O-N 3.11Å; G215-A218 PolarHBondContact O-N 3.2Å; G215-L219 PolarHBondContact O-N 3.46Å; G215-L219 VanDerWaalsContact O-N 3.13Å |
| 216 | I | 97 | Very high | 92.8 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.015 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 173 | -58.7 | -59.7 | 0 | 0 | 0 | 111.3 | W189 W212 S213 L214 A218 L219 E220 P226 P227 P246 L270 | W189-I216 HydrophobicContact CB-CG2 4.34Å; W189-I216 VanDerWaalsContact CD1-CG2 3.43Å; W189-I216 HydrophobicContact CD2-CG2 4.37Å; W189-I216 HydrophobicContact CG-CB 4.28Å; W189-I216 HydrophobicContact CG-CG2 3.77Å; W212-I216 PolarHBondContact O-N 2.76Å; S213-I216 PolarHBondContact O-N 2.97Å; L214-I216 VanDerWaalsContact C-N 3.33Å; L214-I216 PolarHBondContact O-N 3.17Å; I216-A218 VanDerWaalsContact C-N 3.26Å; I216-A218 PolarHBondContact O-N 3.11Å; I216-L219 HydrophobicContact CD1-CD1 4.48Å; I216-L219 CarbonylContact O-C 3.58Å; I216-L219 WeakPolarHBondContact O-CB 3.31Å; I216-L219 PolarHBondContact O-N 2.72Å; I216-L219 VanDerWaalsContact O-N 3.16Å; I216-E220 WeakPolarHBondContact O-CB 3.23Å; I216-E220 PolarHBondContact O-N 2.94Å; I216-P226 HydrophobicContact CG2-CB 3.6Å; I216-P227 HydrophobicContact CD1-CG 4.3Å; I216-P246 HydrophobicContact CD1-CG 4.33Å; I216-L270 HydrophobicContact CD1-CD1 4.11Å; I216-L270 HydrophobicContact CD1-CD2 3.66Å; I216-L270 HydrophobicContact CG1-CD2 3.92Å |
| 217 | T | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.9 | -30.2 | 175.6 | -53.3 | 0 | 0 | 0 | 0 | 112 | I132 K150 S213 L214 E220 M221 | I132-T217 HydrophobicContact CD1-CG2 4.45Å; K150-T217 WeakPolarHBondContact CA-OG1 3.27Å; S213-T217 WeakPolarHBondContact O-CB 3.42Å; S213-T217 PolarHBondContact O-N 2.92Å; S213-T217 PolarHBondContact O-OG1 2.79Å; L214-T217 CarbonylContact O-C 3.55Å; L214-T217 WeakPolarHBondContact O-CB 3.35Å; L214-T217 PolarHBondContact O-N 3.31Å; L214-T217 VanDerWaalsContact O-N 3.16Å; T217-E220 WeakPolarHBondContact O-CB 3.5Å; T217-E220 PolarHBondContact O-N 3.33Å; T217-M221 HydrophobicContact CG2-CE 4.36Å; T217-M221 WeakPolarHBondContact O-CG 3.31Å; T217-M221 PolarHBondContact O-N 3.08Å |
| 218 | A | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -71.2 | -37.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I125 L214 G215 I216 A222 F262 F265 V266 | I125-A218 HydrophobicContact CG2-CB 4.39Å; L214-A218 PolarHBondContact O-N 2.86Å; G215-A218 PolarHBondContact O-N 3.2Å; I216-A218 VanDerWaalsContact C-N 3.26Å; I216-A218 PolarHBondContact O-N 3.11Å; A218-A222 WeakPolarHBondContact O-CB 3.19Å; A218-A222 PolarHBondContact O-N 2.9Å; A218-F262 HydrophobicContact CB-CE2 4.17Å; A218-F265 HydrophobicContact CB-CE1 4.18Å; A218-V266 HydrophobicContact CB-CG2 4.36Å |
| 219 | L | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.1 | -40.6 | 168.9 | -70.2 | 178.2 | 0 | 0 | 0 | 112 | G215 I216 M221 A222 E223 P227 P246 L248 V266 L270 | G215-L219 PolarHBondContact O-N 3.46Å; G215-L219 VanDerWaalsContact O-N 3.13Å; I216-L219 HydrophobicContact CD1-CD1 4.48Å; I216-L219 CarbonylContact O-C 3.58Å; I216-L219 WeakPolarHBondContact O-CB 3.31Å; I216-L219 PolarHBondContact O-N 2.72Å; I216-L219 VanDerWaalsContact O-N 3.16Å; L219-M221 PolarHBondContact O-N 2.78Å; L219-A222 PolarHBondContact O-N 3.46Å; L219-A222 VanDerWaalsContact O-N 3.07Å; L219-E223 PolarHBondContact O-N 3.49Å; L219-P227 HydrophobicContact CD1-CG 3.71Å; L219-P246 HydrophobicContact CD1-CB 3.7Å; L219-L248 HydrophobicContact CD2-CB 4.33Å; L219-L248 HydrophobicContact CD2-CD2 3.61Å; L219-L248 HydrophobicContact CD2-CG 3.71Å; L219-V266 HydrophobicContact CD1-CG1 4.37Å; L219-V266 HydrophobicContact CD2-CG1 3.92Å; L219-V266 HydrophobicContact CG-CG1 4.06Å; L219-L270 HydrophobicContact CD1-CD1 3.64Å; L219-L270 HydrophobicContact CG-CD1 4.44Å |
| 220 | E | 95.6 | Very high | 92.7 | Very high | 12 Ų | 12 | 20.2 Ų | 20.2 | 6% | 0.056 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.4 | -46.4 | 175.4 | -175.5 | -168.2 | 171.2 | 0 | 0 | 111.4 | I112 G151 W189 I216 T217 A222 G224 | I112-E220 HydrophobicContact CD1-CG 3.98Å; G151-E220 WeakPolarHBondContact CA-OE1 3.26Å; G151-E220 PolarHBondContact N-OE1 2.61Å; G151-E220 PolarHBondContact N-OE2 2.9Å; W189-E220 HydrophobicContact CZ2-CG 4.38Å; W189-E220 WeakPolarHBondContact CZ2-OE2 3.3Å; W189-E220 PolarHBondContact NE1-OE2 2.79Å; I216-E220 WeakPolarHBondContact O-CB 3.23Å; I216-E220 PolarHBondContact O-N 2.94Å; T217-E220 WeakPolarHBondContact O-CB 3.5Å; T217-E220 PolarHBondContact O-N 3.33Å; E220-A222 VanDerWaalsContact C-N 3.3Å; E220-A222 PolarHBondContact O-N 3.45Å; E220-G224 CarbonylContact O-C 3.57Å; E220-G224 VanDerWaalsContact O-CA 3.22Å; E220-G224 WeakPolarHBondContact O-CA 3.24Å; E220-G224 PolarHBondContact O-N 3.44Å |
| 221 | M | 96 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.7 | -27.1 | 174.4 | -71.4 | -173.3 | -84.3 | 0 | 0 | 114.1 | V108 I112 L120 I125 I128 T217 L219 | V108-M221 HydrophobicContact CG1-CG 3.57Å; V108-M221 HydrophobicContact CG1-SD 3.7Å; I112-M221 HydrophobicContact CD1-CB 4.35Å; I112-M221 HydrophobicContact CD1-CG 3.95Å; I112-M221 HydrophobicContact CG1-CG 4.45Å; L120-M221 HydrophobicContact CD1-CB 3.98Å; L120-M221 HydrophobicContact CD1-CG 3.84Å; L120-M221 HydrophobicContact CD1-SD 3.93Å; L120-M221 HydrophobicContact CG-CB 4.29Å; L120-M221 PolarHBondContact N-O 2.91Å; I125-M221 HydrophobicContact CD1-CB 4.08Å; I125-M221 HydrophobicContact CG1-CB 3.83Å; I125-M221 HydrophobicContact CG1-SD 4.49Å; I125-M221 HydrophobicContact CG2-CB 4.47Å; I125-M221 HydrophobicContact CG2-CE 4.03Å; I128-M221 HydrophobicContact CB-CE 4.23Å; I128-M221 HydrophobicContact CB-SD 3.87Å; I128-M221 HydrophobicContact CD1-SD 3.87Å; I128-M221 HydrophobicContact CG1-SD 4.48Å; I128-M221 HydrophobicContact CG2-CE 3.85Å; I128-M221 HydrophobicContact CG2-SD 3.64Å; T217-M221 HydrophobicContact CG2-CE 4.36Å; T217-M221 WeakPolarHBondContact O-CG 3.31Å; T217-M221 PolarHBondContact O-N 3.08Å; L219-M221 PolarHBondContact O-N 2.78Å |
| 222 | A | 94.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.025 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -85 | -41.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S119 I125 A218 L219 E220 L248 W258 F262 | S119-A222 VanDerWaalsContact CB-O 3.28Å; S119-A222 WeakPolarHBondContact CB-O 3.34Å; S119-A222 PolarHBondContact OG-O 3.11Å; I125-A222 HydrophobicContact CD1-CB 3.97Å; A218-A222 WeakPolarHBondContact O-CB 3.19Å; A218-A222 PolarHBondContact O-N 2.9Å; L219-A222 PolarHBondContact O-N 3.46Å; L219-A222 VanDerWaalsContact O-N 3.07Å; E220-A222 VanDerWaalsContact C-N 3.3Å; E220-A222 PolarHBondContact O-N 3.45Å; A222-L248 HydrophobicContact CB-CD2 3.46Å; A222-L248 VanDerWaalsContact CB-CD2 3.46Å; A222-W258 HydrophobicContact CB-CH2 3.73Å; A222-W258 HydrophobicContact CB-CZ2 3.62Å; A222-F262 HydrophobicContact CB-CE1 4.08Å; A222-F262 HydrophobicContact CB-CZ 4.07Å |
| 223 | E | 91.1 | Very high | 89.2 | Confident | 50 Ų | 50 | 28.7 Ų | 28.7 | 23% | 0.234 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -112.1 | -2.8 | -171.8 | -57.8 | -170.4 | -170.9 | 0 | 0 | 113.5 | L219 R225 K249 | L219-E223 PolarHBondContact O-N 3.49Å; E223-R225 VanDerWaalsContact C-N 3.3Å; E223-R225 PolarHBondContact O-N 2.92Å; E223-K249 PolarHBondContact OE1-N 2.72Å; E223-K249 IonicContact OE1-NZ 2.73Å; E223-K249 IonicContact OE2-NZ 2.63Å; E223-K249 PolarHBondContact OE2-NZ 2.93Å |
| 224 | G | 90.9 | Very high | 87.7 | Confident | 22 Ų | 22 | 28.8 Ų | 28.8 | 23% | 0.227 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 85 | -3.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K118 E220 | K118-G224 WeakPolarHBondContact O-CA 3.48Å; K118-G224 PolarHBondContact O-N 3.46Å; E220-G224 CarbonylContact O-C 3.57Å; E220-G224 VanDerWaalsContact O-CA 3.22Å; E220-G224 WeakPolarHBondContact O-CA 3.24Å; E220-G224 PolarHBondContact O-N 3.44Å |
| 225 | R | 90.9 | Very high | 86.4 | Confident | 115 Ų | 115 | 33.3 Ų | 33.3 | 43% | 0.434 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -163.8 | 150.9 | -178.4 | 63 | -154.6 | -168 | 88.3 | 1.5 | 109.5 | E223 C229 E230 | E223-R225 VanDerWaalsContact C-N 3.3Å; E223-R225 PolarHBondContact O-N 2.92Å; R225-C229 PolarHBondContact NH1-SG 3.28Å; R225-E230 IonicContact CZ-OE2 3.68Å; R225-E230 VanDerWaalsContact CZ-OE2 3.28Å; R225-E230 IonicContact NH1-OE2 2.7Å; R225-E230 PolarHBondContact NH1-OE2 3Å; R225-E230 IonicContact NH2-OE2 2.68Å; R225-E230 PolarHBondContact NH2-OE2 3.42Å |
| 226 | P | 92.5 | Very high | 85.5 | Confident | 11 Ų | 11 | 33.3 Ų | 33.3 | 7% | 0.071 | 17% | 0.165 | C | C | . | . | trans | -70.5 | 160.5 | 175.8 | 32.8 | -36.9 | 0 | 0 | 0 | 110.8 | Y188 W189 I216 C229 | Y188-P226 HydrophobicContact CD2-CG 4.42Å; Y188-P226 HydrophobicContact CG-CG 4.31Å; W189-P226 HydrophobicContact CD2-CB 4.38Å; W189-P226 HydrophobicContact CD2-CG 4.45Å; W189-P226 HydrophobicContact CE3-CG 4.44Å; W189-P226 HydrophobicContact CH2-CG 3.67Å; W189-P226 HydrophobicContact CZ2-CB 4.08Å; W189-P226 HydrophobicContact CZ2-CG 3.63Å; W189-P226 HydrophobicContact CZ3-CG 4.07Å; I216-P226 HydrophobicContact CG2-CB 3.6Å; P226-C229 HydrophobicContact CG-CB 3.96Å; P226-C229 WeakPolarHBondContact O-CB 3.16Å | ||
| 227 | P | 89.2 | Confident | 84.3 | Confident | 24 Ų | 24 | 33.6 Ų | 33.6 | 16% | 0.156 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 150.2 | 173.7 | -22.9 | 34.7 | 0 | 0 | 0 | 112.4 | I216 L219 C229 P246 | I216-P227 HydrophobicContact CD1-CG 4.3Å; L219-P227 HydrophobicContact CD1-CG 3.71Å; P227-C229 PolarHBondContact O-N 3.37Å; P227-C229 VanDerWaalsContact O-N 3.14Å; P227-P246 HydrophobicContact CB-CB 4.3Å; P227-P246 HydrophobicContact CB-CG 4.39Å; P227-P246 HydrophobicContact CG-CB 3.81Å; P227-P246 HydrophobicContact CG-CG 4.22Å |
| 228 | L | 85.9 | Confident | 82.9 | Confident | 26 Ų | 26 | 35.1 Ų | 35.1 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 8.3 | 175 | -51.7 | 168.9 | 0 | 0 | 0 | 115.2 | Y188 E230 M231 A236 L239 I240 | Y188-L228 WeakPolarHBondContact CE1-O 3.48Å; L228-E230 WeakPolarHBondContact CA-OE1 3.46Å; L228-E230 PolarHBondContact O-N 3.07Å; L228-M231 HydrophobicContact CD2-CE 3.84Å; L228-M231 HydrophobicContact CD2-SD 4.12Å; L228-M231 WeakPolarHBondContact O-CB 3.41Å; L228-M231 PolarHBondContact O-N 2.92Å; L228-A236 HydrophobicContact CB-CB 3.91Å; L228-L239 HydrophobicContact CD1-CB 3.8Å; L228-L239 HydrophobicContact CD2-CB 4.3Å; L228-L239 HydrophobicContact CD2-CD1 3.95Å; L228-I240 HydrophobicContact CD1-CG1 3.91Å |
| 229 | C | 83.5 | Confident | 82 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 28% | 0.277 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -14.1 | -175.8 | 89.3 | 0 | 0 | 0 | 0 | 114.3 | Y188 R225 P226 P227 M231 | Y188-C229 HydrophobicContact CD1-CB 4.43Å; Y188-C229 HydrophobicContact CD2-CB 4.42Å; Y188-C229 HydrophobicContact CG-CB 4.37Å; R225-C229 PolarHBondContact NH1-SG 3.28Å; P226-C229 HydrophobicContact CG-CB 3.96Å; P226-C229 WeakPolarHBondContact O-CB 3.16Å; P227-C229 PolarHBondContact O-N 3.37Å; P227-C229 VanDerWaalsContact O-N 3.14Å; C229-M231 VanDerWaalsContact C-N 3.28Å |
| 230 | E | 78.9 | Confident | 81.4 | Confident | 108 Ų | 108 | 37.1 Ų | 37.1 | 51% | 0.505 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -9.6 | 171.3 | 66.2 | -74.8 | 128.9 | 0 | 0 | 113.1 | R225 L228 | R225-E230 IonicContact CZ-OE2 3.68Å; R225-E230 VanDerWaalsContact CZ-OE2 3.28Å; R225-E230 IonicContact NH1-OE2 2.7Å; R225-E230 PolarHBondContact NH1-OE2 3Å; R225-E230 IonicContact NH2-OE2 2.68Å; R225-E230 PolarHBondContact NH2-OE2 3.42Å; L228-E230 WeakPolarHBondContact CA-OE1 3.46Å; L228-E230 PolarHBondContact O-N 3.07Å |
| 231 | M | 71.7 | Confident | 80.4 | Confident | 53 Ų | 53 | 39.3 Ų | 39.3 | 26% | 0.261 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -101.1 | 147.9 | -177.8 | -52.8 | -161.1 | -166.6 | 0 | 0 | 111.3 | Y188 L228 C229 R235 L239 | Y188-M231 PolarHBondContact OH-O 3.47Å; L228-M231 HydrophobicContact CD2-CE 3.84Å; L228-M231 HydrophobicContact CD2-SD 4.12Å; L228-M231 WeakPolarHBondContact O-CB 3.41Å; L228-M231 PolarHBondContact O-N 2.92Å; C229-M231 VanDerWaalsContact C-N 3.28Å; M231-R235 HydrophobicContact CB-CB 4.26Å; M231-R235 HydrophobicContact CB-CG 4.38Å; M231-R235 HydrophobicContact SD-CG 3.91Å; M231-L239 HydrophobicContact CE-CD1 4.16Å; M231-L239 HydrophobicContact SD-CD1 3.41Å; M231-L239 WeakPolarHBondContact SD-CD1 3.24Å |
| 232 | H | 67 | Low | 79.3 | Confident | 91 Ų | 91 | 44 Ų | 44 | 42% | 0.421 | 21% | 0.212 | S | C | . | . | trans | -53.4 | 136.1 | 173.2 | -173.5 | -108.3 | 0 | 0 | 0 | 110.7 | M234 R235 A236 A1707 | H232-M234 PolarHBondContact O-N 3.42Å; H232-R235 WeakPolarHBondContact O-CA 3.4Å; H232-R235 WeakPolarHBondContact O-CB 3.02Å; H232-R235 PolarHBondContact O-N 3.33Å; H232-A236 PolarHBondContact O-N 3.28Å; H232-A1707 PolarHBondContact CE1-O 2.87Å; H232-A1707 PolarHBondContact ND1-O 2.8Å | ||
| 233 | P | 70.6 | Confident | 78.8 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 24% | 0.24 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -38.8 | -41.7 | -177.4 | -40.5 | 38.8 | 0 | 0 | 0 | 117 | P187 A236 L237 | P187-P233 HydrophobicContact CG-CB 3.85Å; P187-P233 HydrophobicContact CG-CG 4.47Å; P233-A236 PolarHBondContact O-N 3.11Å; P233-L237 WeakPolarHBondContact O-CG 3.49Å; P233-L237 PolarHBondContact O-N 3.25Å |
| 234 | M | 63.5 | Low | 78.5 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.034 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.8 | -37.5 | 177 | -77 | -57.3 | -71.4 | 0 | 0 | 114.5 | H232 A236 L237 F238 A1696 A1698 M1706 | H232-M234 PolarHBondContact O-N 3.42Å; M234-A236 VanDerWaalsContact C-N 3.33Å; M234-L237 PolarHBondContact O-N 3.49Å; M234-L237 HydrophobicContact SD-CD1 3.93Å; M234-F238 WeakPolarHBondContact O-CB 3.27Å; M234-F238 PolarHBondContact O-N 3.33Å; M234-A1696 HydrophobicContact CE-CB 3.6Å; M234-A1698 HydrophobicContact CE-CB 3.83Å; M234-A1698 HydrophobicContact SD-CB 3.63Å; M234-M1706 HydrophobicContact CE-CB 4.46Å; M234-M1706 HydrophobicContact CG-CB 3.34Å; M234-M1706 HydrophobicContact CG-CE 4.11Å; M234-M1706 HydrophobicContact CG-CG 4.3Å; M234-M1706 HydrophobicContact CG-SD 4.18Å; M234-M1706 HydrophobicContact SD-CB 3.74Å; M234-M1706 HydrophobicContact SD-CE 4.35Å; M234-M1706 HydrophobicContact SD-CG 4.23Å; M234-M1706 HydrophobicContact SD-SD 3.76Å |
| 235 | R | 69.3 | Low | 78.5 | Confident | 96 Ų | 96 | 50.3 Ų | 50.3 | 36% | 0.362 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.7 | -37.6 | 175.6 | -172.2 | 173.4 | 177.1 | 112 | -0.7 | 109.7 | M231 H232 L239 | M231-R235 HydrophobicContact CB-CB 4.26Å; M231-R235 HydrophobicContact CB-CG 4.38Å; M231-R235 HydrophobicContact SD-CG 3.91Å; H232-R235 WeakPolarHBondContact O-CA 3.4Å; H232-R235 WeakPolarHBondContact O-CB 3.02Å; H232-R235 PolarHBondContact O-N 3.33Å; R235-L239 HydrophobicContact CG-CD1 3.88Å; R235-L239 HydrophobicContact CG-CG 4.46Å; R235-L239 WeakPolarHBondContact O-CB 3.29Å; R235-L239 WeakPolarHBondContact O-CG 3.34Å; R235-L239 PolarHBondContact O-N 3.15Å |
| 236 | A | 77.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -50.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y188 L228 H232 P233 M234 F238 L239 I240 | Y188-A236 HydrophobicContact CD1-CB 3.7Å; Y188-A236 HydrophobicContact CE1-CB 3.62Å; L228-A236 HydrophobicContact CB-CB 3.91Å; H232-A236 PolarHBondContact O-N 3.28Å; P233-A236 PolarHBondContact O-N 3.11Å; M234-A236 VanDerWaalsContact C-N 3.33Å; A236-F238 VanDerWaalsContact C-N 3.33Å; A236-F238 PolarHBondContact O-N 3.21Å; A236-L239 PolarHBondContact O-N 2.88Å; A236-L239 VanDerWaalsContact O-N 3.14Å; A236-I240 VanDerWaalsContact O-CG1 3.28Å; A236-I240 WeakPolarHBondContact O-CG1 3.45Å; A236-I240 PolarHBondContact O-N 3.39Å |
| 237 | L | 72.2 | Confident | 78.5 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.1 | -44.3 | 176.9 | -74.7 | 166.3 | 0 | 0 | 0 | 112.9 | P187 M190 I195 P233 M234 M241 Y1702 | P187-L237 HydrophobicContact CB-CD1 4.27Å; P187-L237 HydrophobicContact CB-CD2 3.66Å; P187-L237 HydrophobicContact CB-CG 3.75Å; M190-L237 HydrophobicContact CE-CD2 4.5Å; M190-L237 HydrophobicContact SD-CD2 4.06Å; I195-L237 HydrophobicContact CD1-CD2 3.65Å; I195-L237 HydrophobicContact CG1-CD2 3.81Å; I195-L237 HydrophobicContact CG2-CD2 4.31Å; P233-L237 WeakPolarHBondContact O-CG 3.49Å; P233-L237 PolarHBondContact O-N 3.25Å; M234-L237 PolarHBondContact O-N 3.49Å; M234-L237 HydrophobicContact SD-CD1 3.93Å; L237-M241 PolarHBondContact O-N 2.83Å; L237-Y1702 HydrophobicContact CD1-CD2 4.22Å; L237-Y1702 HydrophobicContact CD1-CE2 3.66Å |
| 238 | F | 67.4 | Low | 78.5 | Confident | 33 Ų | 33 | 52 Ų | 52 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.9 | -179.2 | -123.6 | 0 | 0 | 0 | 112.2 | M234 A236 M241 R242 I1681 | M234-F238 WeakPolarHBondContact O-CB 3.27Å; M234-F238 PolarHBondContact O-N 3.33Å; A236-F238 VanDerWaalsContact C-N 3.33Å; A236-F238 PolarHBondContact O-N 3.21Å; F238-M241 PolarHBondContact O-N 3.05Å; F238-R242 HydrophobicContact CE2-CG 4.44Å; F238-R242 WeakPolarHBondContact O-CG 3.25Å; F238-R242 PolarHBondContact O-N 3.15Å; F238-I1681 HydrophobicContact CB-CD1 4.38Å; F238-I1681 HydrophobicContact CD2-CD1 3.36Å; F238-I1681 HydrophobicContact CD2-CG1 4.34Å; F238-I1681 HydrophobicContact CE2-CD1 3.87Å; F238-I1681 HydrophobicContact CE2-CG1 4.47Å; F238-I1681 HydrophobicContact CG-CD1 4.2Å |
| 239 | L | 77.8 | Confident | 78.4 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.9 | -31.1 | -177.9 | -67.4 | 172.3 | 0 | 0 | 0 | 112.7 | L228 M231 R235 A236 M241 R242 N243 | L228-L239 HydrophobicContact CD1-CB 3.8Å; L228-L239 HydrophobicContact CD2-CB 4.3Å; L228-L239 HydrophobicContact CD2-CD1 3.95Å; M231-L239 HydrophobicContact CE-CD1 4.16Å; M231-L239 HydrophobicContact SD-CD1 3.41Å; M231-L239 WeakPolarHBondContact SD-CD1 3.24Å; R235-L239 HydrophobicContact CG-CD1 3.88Å; R235-L239 HydrophobicContact CG-CG 4.46Å; R235-L239 WeakPolarHBondContact O-CB 3.29Å; R235-L239 WeakPolarHBondContact O-CG 3.34Å; R235-L239 PolarHBondContact O-N 3.15Å; A236-L239 PolarHBondContact O-N 2.88Å; A236-L239 VanDerWaalsContact O-N 3.14Å; L239-M241 VanDerWaalsContact C-N 3.32Å; L239-M241 PolarHBondContact O-N 3.39Å; L239-R242 PolarHBondContact O-N 3.38Å; L239-N243 VanDerWaalsContact CD2-OD1 3.23Å; L239-N243 WeakPolarHBondContact CD2-OD1 3.29Å; L239-N243 VanDerWaalsContact O-CB 3.26Å; L239-N243 WeakPolarHBondContact O-CB 3.38Å; L239-N243 PolarHBondContact O-N 3.13Å; L239-N243 PolarHBondContact O-OD1 3.38Å |
| 240 | I | 83.3 | Confident | 77.8 | Confident | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 171.7 | -70.2 | 163 | 0 | 0 | 0 | 110.7 | P187 P192 I195 W212 L228 A236 K272 | P187-I240 WeakPolarHBondContact O-CD1 3.16Å; P192-I240 HydrophobicContact CG-CG2 4.17Å; I195-I240 HydrophobicContact CD1-CB 4.03Å; I195-I240 HydrophobicContact CD1-CG2 3.68Å; W212-I240 HydrophobicContact CZ2-CG2 4.16Å; L228-I240 HydrophobicContact CD1-CG1 3.91Å; A236-I240 VanDerWaalsContact O-CG1 3.28Å; A236-I240 WeakPolarHBondContact O-CG1 3.45Å; A236-I240 PolarHBondContact O-N 3.39Å; I240-K272 VanDerWaalsContact O-CE 3.26Å; I240-K272 WeakPolarHBondContact O-CE 3.07Å; I240-K272 PolarHBondContact O-NZ 3.33Å |
| 241 | M | 75.7 | Confident | 77 | Confident | 58 Ų | 58 | 57.6 Ų | 57.6 | 29% | 0.286 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.3 | -34.3 | 175.4 | -68.5 | -164.5 | -61.9 | 0 | 0 | 112.9 | I195 L237 F238 L239 K272 | I195-M241 HydrophobicContact CB-CG 4.31Å; I195-M241 HydrophobicContact CB-SD 4.34Å; I195-M241 HydrophobicContact CD1-CG 4.32Å; I195-M241 HydrophobicContact CG2-CE 4.35Å; I195-M241 HydrophobicContact CG2-CG 4.02Å; I195-M241 HydrophobicContact CG2-SD 3.72Å; L237-M241 PolarHBondContact O-N 2.83Å; F238-M241 PolarHBondContact O-N 3.05Å; L239-M241 VanDerWaalsContact C-N 3.32Å; L239-M241 PolarHBondContact O-N 3.39Å; M241-K272 VanDerWaalsContact C-NZ 3.28Å; M241-K272 PolarHBondContact O-NZ 3.44Å |
| 242 | R | 73 | Confident | 76.2 | Confident | 100 Ų | 100 | 60 Ų | 60 | 38% | 0.377 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -91.7 | -61.1 | -174.1 | -65.3 | -179.8 | 97.6 | 75.9 | 0.3 | 114.5 | F238 L239 K272 E1679 | F238-R242 HydrophobicContact CE2-CG 4.44Å; F238-R242 WeakPolarHBondContact O-CG 3.25Å; F238-R242 PolarHBondContact O-N 3.15Å; L239-R242 PolarHBondContact O-N 3.38Å; R242-K272 PolarHBondContact O-NZ 2.84Å; R242-E1679 IonicContact CZ-OE1 2.8Å; R242-E1679 IonicContact CZ-OE2 3.5Å; R242-E1679 IonicContact NH1-OE1 3.64Å; R242-E1679 PolarHBondContact NH1-OE1 3.24Å; R242-E1679 IonicContact NH1-OE2 3.13Å; R242-E1679 PolarHBondContact NH1-OE2 3.18Å; R242-E1679 IonicContact NH2-OE1 3.99Å; R242-E1679 PolarHBondContact NH2-OE1 3.12Å; R242-E1679 IonicContact NH2-OE2 4Å; R242-E1679 PolarHBondContact NH2-OE2 3.07Å |
| 243 | N | 82.4 | Confident | 75.5 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -57.5 | 151.6 | -169.2 | -63.6 | 13 | 0 | 0 | 0 | 112.1 | L239 K272 | L239-N243 VanDerWaalsContact CD2-OD1 3.23Å; L239-N243 WeakPolarHBondContact CD2-OD1 3.29Å; L239-N243 VanDerWaalsContact O-CB 3.26Å; L239-N243 WeakPolarHBondContact O-CB 3.38Å; L239-N243 PolarHBondContact O-N 3.13Å; L239-N243 PolarHBondContact O-OD1 3.38Å; N243-K272 WeakPolarHBondContact O-CE 3.38Å; N243-K272 PolarHBondContact O-NZ 3.17Å |
| 244 | S | 85.5 | Confident | 74.8 | Confident | 95 Ų | 95 | 61.5 Ų | 61.5 | 66% | 0.664 | 32% | 0.318 | S | S | * | . | trans | -47.2 | 149.9 | 166.8 | -57 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 245 | P | 90 | Very high | 74.5 | Confident | 39 Ų | 39 | 65.3 Ų | 65.3 | 25% | 0.253 | 35% | 0.346 | S | S | . | . | trans | -40.7 | 127.7 | 169.5 | -33.1 | 36.9 | 0 | 0 | 0 | 112.3 | L270 K272 | P245-L270 HydrophobicContact CB-CB 4.38Å; P245-L270 WeakPolarHBondContact CB-O 3.4Å; P245-K272 HydrophobicContact CG-CG 4.26Å | ||
| 246 | P | 92.3 | Very high | 74.2 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 22% | 0.221 | 34% | 0.342 | C | S | . | . | trans | -56.2 | 144.4 | 173.8 | -23.9 | 33.4 | 0 | 0 | 0 | 110.7 | I216 L219 P227 L270 | I216-P246 HydrophobicContact CD1-CG 4.33Å; L219-P246 HydrophobicContact CD1-CB 3.7Å; P227-P246 HydrophobicContact CB-CB 4.3Å; P227-P246 HydrophobicContact CB-CG 4.39Å; P227-P246 HydrophobicContact CG-CB 3.81Å; P227-P246 HydrophobicContact CG-CG 4.22Å; P246-L270 HydrophobicContact CB-CD1 4.03Å; P246-L270 HydrophobicContact CG-CD1 4.44Å; P246-L270 VanDerWaalsContact O-CD1 3.29Å; P246-L270 WeakPolarHBondContact O-CD1 3.48Å | ||
| 247 | R | 91.8 | Very high | 74.3 | Confident | 143 Ų | 143 | 71.3 Ų | 71.3 | 54% | 0.54 | 37% | 0.374 | S | S | . | . | trans | -130.9 | 154.5 | 178.3 | -54.5 | -169.8 | -166.7 | -90.8 | 9.9 | 109.4 | K249 N267 | R247-K249 PolarHBondContact O-N 2.83Å; R247-N267 PolarHBondContact NH1-OD1 3.21Å | ||
| 248 | L | 89.4 | Confident | 75.1 | Confident | 9 Ų | 9 | 72.1 Ų | 72.1 | 5% | 0.047 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 123.6 | 169.2 | -74.2 | 161.1 | 0 | 0 | 0 | 109.6 | L219 A222 W258 F262 V266 | L219-L248 HydrophobicContact CD2-CB 4.33Å; L219-L248 HydrophobicContact CD2-CD2 3.61Å; L219-L248 HydrophobicContact CD2-CG 3.71Å; A222-L248 HydrophobicContact CB-CD2 3.46Å; A222-L248 VanDerWaalsContact CB-CD2 3.46Å; L248-W258 HydrophobicContact CD1-CB 4.27Å; L248-W258 HydrophobicContact CD1-CG 4.24Å; L248-W258 HydrophobicContact CD2-CD2 4.49Å; L248-W258 HydrophobicContact CD2-CG 4.49Å; L248-F262 HydrophobicContact CD1-CB 4.37Å; L248-F262 HydrophobicContact CD1-CD1 3.48Å; L248-F262 VanDerWaalsContact CD1-CD1 3.48Å; L248-F262 HydrophobicContact CD1-CD2 4.05Å; L248-F262 HydrophobicContact CD1-CE1 3.59Å; L248-F262 HydrophobicContact CD1-CE2 4.15Å; L248-F262 HydrophobicContact CD1-CG 3.7Å; L248-F262 HydrophobicContact CD1-CZ 3.91Å; L248-F262 HydrophobicContact CD2-CD1 4.33Å; L248-F262 HydrophobicContact CD2-CE1 3.6Å; L248-F262 HydrophobicContact CD2-CZ 3.76Å; L248-F262 HydrophobicContact CG-CE1 4.24Å; L248-F262 HydrophobicContact CG-CZ 4.39Å; L248-V266 HydrophobicContact CD1-CB 4.47Å; L248-V266 HydrophobicContact CD1-CG2 3.97Å; L248-V266 HydrophobicContact CG-CG2 4.19Å |
| 249 | K | 83.3 | Confident | 76.3 | Confident | 117 Ų | 117 | 73.2 Ų | 73.2 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 139.8 | 170.3 | -61.3 | -173.2 | -168.3 | 75.7 | 0 | 110.2 | E223 R247 W258 | E223-K249 PolarHBondContact OE1-N 2.72Å; E223-K249 IonicContact OE1-NZ 2.73Å; E223-K249 IonicContact OE2-NZ 2.63Å; E223-K249 PolarHBondContact OE2-NZ 2.93Å; R247-K249 PolarHBondContact O-N 2.83Å; K249-W258 PolarHBondContact O-NE1 3.04Å |
| 250 | Q | 70.9 | Confident | 77 | Confident | 139 Ų | 139 | 77.2 Ų | 77.2 | 65% | 0.65 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 148.4 | 162.2 | -63.4 | -176.4 | 5.6 | 0 | 0 | 108.3 | ||
| 251 | S | 62.6 | Low | 77.5 | Confident | 35 Ų | 35 | 81.8 Ų | 81.8 | 25% | 0.245 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 127.8 | 178.3 | -161.5 | 0 | 0 | 0 | 0 | 109.5 | N253 G254 S255 | S251-N253 PolarHBondContact O-N 3.07Å; S251-N253 PolarHBondContact OG-OD1 3.33Å; S251-N253 VanDerWaalsContact OG-OD1 3.1Å; S251-G254 PolarHBondContact O-N 3.06Å; S251-S255 PolarHBondContact OG-OG 3.48Å |
| 252 | P | 53.7 | Low | 78.4 | Confident | 105 Ų | 105 | 79 Ų | 79 | 68% | 0.682 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -29.4 | -173.2 | -27 | 34.3 | 0 | 0 | 0 | 114.3 | E1282 | P252-E1282 WeakPolarHBondContact CB-OE2 3.44Š|
| 253 | N | 54.1 | Low | 79.4 | Confident | 124 Ų | 124 | 76.4 Ų | 76.4 | 66% | 0.663 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 19.2 | 177.8 | 58.6 | 19.4 | 0 | 0 | 0 | 113.6 | S251 S255 | S251-N253 PolarHBondContact O-N 3.07Å; S251-N253 PolarHBondContact OG-OD1 3.33Å; S251-N253 VanDerWaalsContact OG-OD1 3.1Å; N253-S255 PolarHBondContact O-N 2.85Å; N253-S255 VanDerWaalsContact OD1-CB 3.26Å; N253-S255 WeakPolarHBondContact OD1-CB 3.37Å; N253-S255 PolarHBondContact OD1-N 2.95Å; N253-S255 PolarHBondContact OD1-OG 2.9Å |
| 254 | G | 55.7 | Low | 80.1 | Confident | 34 Ų | 34 | 76 Ų | 76 | 35% | 0.351 | 41% | 0.406 | S | S | . | . | S | Bend | trans | 65.7 | -1.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S251 R256 H257 | S251-G254 PolarHBondContact O-N 3.06Å; G254-R256 VanDerWaalsContact C-N 3.26Å; G254-R256 PolarHBondContact O-N 3.23Å; G254-H257 PolarHBondContact O-CE1 2.63Å; G254-H257 PolarHBondContact O-ND1 2.8Å |
| 255 | S | 56.2 | Low | 80.6 | Confident | 88 Ų | 88 | 71.4 Ų | 71.4 | 62% | 0.615 | 37% | 0.374 | S | S | * | . | trans | -68.9 | -18.5 | -168.2 | 66.6 | 0 | 0 | 0 | 0 | 115.1 | S251 N253 | S251-S255 PolarHBondContact OG-OG 3.48Å; N253-S255 PolarHBondContact O-N 2.85Å; N253-S255 VanDerWaalsContact OD1-CB 3.26Å; N253-S255 WeakPolarHBondContact OD1-CB 3.37Å; N253-S255 PolarHBondContact OD1-N 2.95Å; N253-S255 PolarHBondContact OD1-OG 2.9Å | ||
| 256 | R | 64.2 | Low | 81 | Confident | 74 Ų | 74 | 69.6 Ų | 69.6 | 28% | 0.279 | 36% | 0.362 | S | S | . | . | trans | -131.8 | 118.3 | 167.4 | -81.1 | -169.8 | 177.8 | -145.4 | 13.7 | 110.6 | S119 L120 G254 | S119-R256 PolarHBondContact O-NH2 2.86Å; S119-R256 VanDerWaalsContact OG-CZ 3.3Å; S119-R256 PolarHBondContact OG-NH1 2.85Å; S119-R256 VanDerWaalsContact OG-NH1 3.09Å; S119-R256 PolarHBondContact OG-NH2 2.83Å; L120-R256 PolarHBondContact O-NH1 2.86Å; L120-R256 PolarHBondContact O-NH2 2.78Å; G254-R256 VanDerWaalsContact C-N 3.26Å; G254-R256 PolarHBondContact O-N 3.23Å | ||
| 257 | H | 78 | Confident | 81.1 | Confident | 147 Ų | 147 | 70.4 Ų | 70.4 | 68% | 0.681 | 37% | 0.365 | S | S | * | . | trans | -105.1 | 121.2 | 161.9 | -68.8 | 76.4 | 0 | 0 | 0 | 107.6 | G254 | G254-H257 PolarHBondContact O-CE1 2.63Å; G254-H257 PolarHBondContact O-ND1 2.8Å | ||
| 258 | W | 90.5 | Very high | 81.4 | Confident | 25 Ų | 25 | 67.2 Ų | 67.2 | 10% | 0.095 | 36% | 0.355 | C | S | . | . | trans | -79.7 | 149.6 | 171.8 | -57.3 | 109.1 | 0 | 0 | 0 | 109.7 | E122 I125 A222 L248 K249 F262 | E122-W258 HydrophobicContact CB-CE3 4.12Å; E122-W258 HydrophobicContact CB-CZ3 4.12Å; E122-W258 HydrophobicContact CG-CE3 4.32Å; E122-W258 WeakPolarHBondContact OE2-CA 3.15Å; I125-W258 HydrophobicContact CD1-CH2 4.09Å; I125-W258 HydrophobicContact CD1-CZ3 4.01Å; A222-W258 HydrophobicContact CB-CH2 3.73Å; A222-W258 HydrophobicContact CB-CZ2 3.62Å; L248-W258 HydrophobicContact CD1-CB 4.27Å; L248-W258 HydrophobicContact CD1-CG 4.24Å; L248-W258 HydrophobicContact CD2-CD2 4.49Å; L248-W258 HydrophobicContact CD2-CG 4.49Å; K249-W258 PolarHBondContact O-NE1 3.04Å; W258-F262 HydrophobicContact CB-CD1 4.01Å; W258-F262 AromaticContact CD2-CD1 3.9Å; W258-F262 HydrophobicContact CD2-CD1 3.9Å; W258-F262 AromaticContact CD2-CE1 3.89Å; W258-F262 HydrophobicContact CD2-CE1 3.89Å; W258-F262 AromaticContact CE3-CD1 3.58Å; W258-F262 HydrophobicContact CE3-CD1 3.58Å; W258-F262 AromaticContact CE3-CE1 3.58Å; W258-F262 HydrophobicContact CE3-CE1 3.58Å; W258-F262 HydrophobicContact CG-CD1 4.12Å; W258-F262 HydrophobicContact CG-CE1 4.43Å; W258-F262 HydrophobicContact CH2-CE1 4.38Å; W258-F262 HydrophobicContact CZ3-CD1 4.24Å; W258-F262 AromaticContact CZ3-CE1 3.84Å; W258-F262 HydrophobicContact CZ3-CE1 3.84Å | ||
| 259 | T | 92 | Very high | 81.7 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 34% | 0.344 | 35% | 0.353 | S | S | . | . | trans | -68.6 | 152.9 | -179.1 | 75.1 | 0 | 0 | 0 | 0 | 111.8 | E122 R261 F262 H263 | E122-T259 VanDerWaalsContact OE1-CB 3.25Å; E122-T259 WeakPolarHBondContact OE1-CB 3.37Å; E122-T259 WeakPolarHBondContact OE1-CG2 3.27Å; E122-T259 PolarHBondContact OE1-OG1 3.21Å; E122-T259 PolarHBondContact OE2-N 3.43Å; T259-R261 PolarHBondContact O-N 3.17Å; T259-R261 VanDerWaalsContact O-N 3.11Å; T259-R261 PolarHBondContact OG1-N 2.94Å; T259-F262 PolarHBondContact O-N 2.93Å; T259-F262 PolarHBondContact OG1-N 3.39Å; T259-H263 PolarHBondContact O-N 3.14Å; T259-H263 VanDerWaalsContact O-N 3.15Å | ||
| 260 | P | 91.9 | Very high | 82.4 | Confident | 111 Ų | 111 | 61.2 Ų | 61.2 | 72% | 0.721 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -54.3 | -30.2 | 172.3 | -27.9 | 36 | 0 | 0 | 0 | 113.3 | H263 D264 | P260-H263 PolarHBondContact O-N 3Å; P260-D264 VanDerWaalsContact O-CB 3.27Å; P260-D264 WeakPolarHBondContact O-CB 3.28Å; P260-D264 PolarHBondContact O-N 3.38Å |
| 261 | R | 94 | Very high | 83.5 | Confident | 112 Ų | 112 | 56.4 Ų | 56.4 | 42% | 0.423 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.3 | -63.2 | 173.6 | 172.6 | 151.5 | -6.6 | 112.2 | T259 F265 H286 E287 F288 | T259-R261 PolarHBondContact O-N 3.17Å; T259-R261 VanDerWaalsContact O-N 3.11Å; T259-R261 PolarHBondContact OG1-N 2.94Å; R261-F265 WeakPolarHBondContact O-CB 3.47Å; R261-F265 PolarHBondContact O-N 3.41Å; R261-H286 PolarHBondContact O-CE1 3.33Å; R261-E287 WeakPolarHBondContact CD-OE2 3.46Å; R261-E287 HydrophobicContact CG-CB 4.5Å; R261-E287 WeakPolarHBondContact CG-OE2 3.39Å; R261-E287 IonicContact CZ-OE1 3.52Å; R261-E287 VanDerWaalsContact CZ-OE1 3.24Å; R261-E287 IonicContact CZ-OE2 3.12Å; R261-E287 IonicContact NE-OE1 2.71Å; R261-E287 PolarHBondContact NE-OE1 3.36Å; R261-E287 VanDerWaalsContact NE-OE1 3.16Å; R261-E287 IonicContact NE-OE2 2.71Å; R261-E287 PolarHBondContact NE-OE2 3.49Å; R261-E287 IonicContact NH2-OE1 3.51Å; R261-E287 PolarHBondContact NH2-OE1 3.1Å; R261-E287 IonicContact NH2-OE2 3.55Å; R261-F288 HydrophobicContact CB-CB 4.22Å; R261-F288 HydrophobicContact CB-CD2 4.45Å |
| 262 | F | 95.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.3 | -41.5 | 177.9 | -173 | -155.9 | 0 | 0 | 0 | 111.5 | E122 I125 A218 A222 L248 W258 T259 D264 F265 V266 F288 | E122-F262 HydrophobicContact CG-CB 4.27Å; E122-F262 HydrophobicContact CG-CD1 3.87Å; E122-F262 HydrophobicContact CG-CG 4.23Å; E122-F262 WeakPolarHBondContact OE1-CB 3.19Å; I125-F262 HydrophobicContact CD1-CE1 3.98Å; I125-F262 HydrophobicContact CD1-CZ 3.96Å; I125-F262 HydrophobicContact CG2-CE2 3.84Å; I125-F262 HydrophobicContact CG2-CZ 3.7Å; A218-F262 HydrophobicContact CB-CE2 4.17Å; A222-F262 HydrophobicContact CB-CE1 4.08Å; A222-F262 HydrophobicContact CB-CZ 4.07Å; L248-F262 HydrophobicContact CD1-CB 4.37Å; L248-F262 HydrophobicContact CD1-CD1 3.48Å; L248-F262 VanDerWaalsContact CD1-CD1 3.48Å; L248-F262 HydrophobicContact CD1-CD2 4.05Å; L248-F262 HydrophobicContact CD1-CE1 3.59Å; L248-F262 HydrophobicContact CD1-CE2 4.15Å; L248-F262 HydrophobicContact CD1-CG 3.7Å; L248-F262 HydrophobicContact CD1-CZ 3.91Å; L248-F262 HydrophobicContact CD2-CD1 4.33Å; L248-F262 HydrophobicContact CD2-CE1 3.6Å; L248-F262 HydrophobicContact CD2-CZ 3.76Å; L248-F262 HydrophobicContact CG-CE1 4.24Å; L248-F262 HydrophobicContact CG-CZ 4.39Å; W258-F262 HydrophobicContact CB-CD1 4.01Å; W258-F262 AromaticContact CD2-CD1 3.9Å; W258-F262 HydrophobicContact CD2-CD1 3.9Å; W258-F262 AromaticContact CD2-CE1 3.89Å; W258-F262 HydrophobicContact CD2-CE1 3.89Å; W258-F262 AromaticContact CE3-CD1 3.58Å; W258-F262 HydrophobicContact CE3-CD1 3.58Å; W258-F262 AromaticContact CE3-CE1 3.58Å; W258-F262 HydrophobicContact CE3-CE1 3.58Å; W258-F262 HydrophobicContact CG-CD1 4.12Å; W258-F262 HydrophobicContact CG-CE1 4.43Å; W258-F262 HydrophobicContact CH2-CE1 4.38Å; W258-F262 HydrophobicContact CZ3-CD1 4.24Å; W258-F262 AromaticContact CZ3-CE1 3.84Å; W258-F262 HydrophobicContact CZ3-CE1 3.84Å; T259-F262 PolarHBondContact O-N 2.93Å; T259-F262 PolarHBondContact OG1-N 3.39Å; F262-D264 PolarHBondContact O-N 3.09Å; F262-F265 HydrophobicContact CD2-CD1 4.29Å; F262-F265 HydrophobicContact CE2-CD1 4.42Å; F262-F265 PolarHBondContact O-N 2.97Å; F262-V266 HydrophobicContact CD2-CG2 3.87Å; F262-V266 HydrophobicContact CE2-CG2 3.52Å; F262-V266 HydrophobicContact CZ-CG2 4.24Å; F262-V266 WeakPolarHBondContact O-CG2 3.37Å; F262-V266 PolarHBondContact O-N 2.99Å; F262-F288 HydrophobicContact CB-CD2 3.79Å; F262-F288 HydrophobicContact CB-CE2 3.46Å; F262-F288 VanDerWaalsContact CB-CE2 3.46Å; F262-F288 HydrophobicContact CB-CZ 4.04Å; F262-F288 HydrophobicContact CD1-CE2 4.43Å; F262-F288 HydrophobicContact CD1-CZ 4.41Å; F262-F288 HydrophobicContact CD2-CD1 4.27Å; F262-F288 HydrophobicContact CD2-CD2 4.3Å; F262-F288 AromaticContact CD2-CE1 3.6Å; F262-F288 HydrophobicContact CD2-CE1 3.6Å; F262-F288 AromaticContact CD2-CE2 3.64Å; F262-F288 HydrophobicContact CD2-CE2 3.64Å; F262-F288 AromaticContact CD2-CZ 3.23Å; F262-F288 HydrophobicContact CD2-CZ 3.23Å; F262-F288 HydrophobicContact CE2-CE1 4.02Å; F262-F288 AromaticContact CE2-CZ 3.76Å; F262-F288 HydrophobicContact CE2-CZ 3.76Å; F262-F288 HydrophobicContact CG-CD2 4.31Å; F262-F288 HydrophobicContact CG-CE1 4.4Å; F262-F288 AromaticContact CG-CE2 3.59Å; F262-F288 HydrophobicContact CG-CE2 3.59Å; F262-F288 AromaticContact CG-CZ 3.64Å; F262-F288 HydrophobicContact CG-CZ 3.64Å |
| 263 | H | 94.6 | Very high | 86.4 | Confident | 44 Ų | 44 | 55.1 Ų | 55.1 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.9 | -47.2 | 171 | -82.1 | -80.6 | 0 | 0 | 0 | 112 | T259 P260 V266 N267 | T259-H263 PolarHBondContact O-N 3.14Å; T259-H263 VanDerWaalsContact O-N 3.15Å; P260-H263 PolarHBondContact O-N 3Å; H263-V266 PolarHBondContact O-N 2.82Å; H263-N267 VanDerWaalsContact O-CB 3.29Å; H263-N267 WeakPolarHBondContact O-CB 3.22Å; H263-N267 PolarHBondContact O-N 2.79Å; H263-N267 PolarHBondContact O-ND2 2.93Å; H263-N267 VanDerWaalsContact O-ND2 3.07Å |
| 264 | D | 95.7 | Very high | 87.9 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 34% | 0.342 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.5 | -176.1 | 31.8 | 0 | 0 | 0 | 112.5 | P260 F262 N267 K268 H286 | P260-D264 VanDerWaalsContact O-CB 3.27Å; P260-D264 WeakPolarHBondContact O-CB 3.28Å; P260-D264 PolarHBondContact O-N 3.38Å; F262-D264 PolarHBondContact O-N 3.09Å; D264-N267 PolarHBondContact O-N 3.03Å; D264-K268 WeakPolarHBondContact O-CB 3.28Å; D264-K268 WeakPolarHBondContact O-CG 3.45Å; D264-K268 PolarHBondContact O-N 3.4Å; D264-K268 WeakPolarHBondContact OD1-CE 3.12Å; D264-K268 IonicContact OD1-NZ 3.32Å; D264-K268 PolarHBondContact OD1-NZ 3.14Å; D264-K268 IonicContact OD2-NZ 3.45Å; D264-K268 PolarHBondContact OD2-NZ 3.07Å; D264-H286 IonicContact OD2-CE1 3.92Å; D264-H286 IonicContact OD2-NE2 3.58Å; D264-H286 PolarHBondContact OD2-NE2 2.95Å; D264-H286 VanDerWaalsContact OD2-NE2 3.12Å |
| 265 | F | 97.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.9 | -53.3 | 174 | 176.3 | -104.4 | 0 | 0 | 0 | 111.9 | L133 L214 A218 R261 F262 N267 K268 C269 L283 H286 F288 I289 | L133-F265 HydrophobicContact CD1-CE2 4.19Å; L133-F265 HydrophobicContact CD1-CZ 4.45Å; L214-F265 HydrophobicContact CD2-CZ 4.27Å; L214-F265 HydrophobicContact CG-CZ 4.46Å; A218-F265 HydrophobicContact CB-CE1 4.18Å; R261-F265 WeakPolarHBondContact O-CB 3.47Å; R261-F265 PolarHBondContact O-N 3.41Å; F262-F265 HydrophobicContact CD2-CD1 4.29Å; F262-F265 HydrophobicContact CE2-CD1 4.42Å; F262-F265 PolarHBondContact O-N 2.97Å; F265-N267 PolarHBondContact O-N 2.81Å; F265-K268 PolarHBondContact O-N 2.83Å; F265-C269 PolarHBondContact O-N 3.43Å; F265-C269 PolarHBondContact O-SG 3.15Å; F265-L283 HydrophobicContact CD2-CD1 3.72Å; F265-L283 HydrophobicContact CD2-CG 4.38Å; F265-L283 HydrophobicContact CE2-CD1 3.67Å; F265-L283 HydrophobicContact CE2-CD2 4.08Å; F265-L283 HydrophobicContact CE2-CG 3.82Å; F265-H286 HydrophobicContact CD2-CB 4.29Å; F265-H286 AromaticContact CD2-ND1 3.9Å; F265-H286 PolarHBondContact N-CE1 3.01Å; F265-H286 VanDerWaalsContact N-CE1 3.32Å; F265-F288 HydrophobicContact CB-CB 3.94Å; F265-F288 HydrophobicContact CB-CD1 3.77Å; F265-F288 HydrophobicContact CB-CG 4.01Å; F265-F288 AromaticContact CD1-CD1 3.58Å; F265-F288 HydrophobicContact CD1-CD1 3.58Å; F265-F288 AromaticContact CD1-CE1 3.74Å; F265-F288 HydrophobicContact CD1-CE1 3.74Å; F265-F288 AromaticContact CD2-CD1 3.95Å; F265-F288 HydrophobicContact CD2-CD1 3.95Å; F265-F288 HydrophobicContact CE1-CD1 4.14Å; F265-F288 HydrophobicContact CE1-CE1 4.1Å; F265-F288 HydrophobicContact CE2-CD1 4.46Å; F265-F288 HydrophobicContact CG-CB 4.35Å; F265-F288 AromaticContact CG-CD1 3.48Å; F265-F288 HydrophobicContact CG-CD1 3.48Å; F265-F288 VanDerWaalsContact CG-CD1 3.48Å; F265-F288 HydrophobicContact CG-CE1 4.13Å; F265-F288 HydrophobicContact CG-CG 4.21Å; F265-I289 HydrophobicContact CD2-CD1 4.19Å; F265-I289 HydrophobicContact CD2-CG1 3.82Å; F265-I289 HydrophobicContact CE2-CD1 3.65Å; F265-I289 HydrophobicContact CE2-CG1 3.51Å; F265-I289 HydrophobicContact CZ-CD1 3.89Å; F265-I289 HydrophobicContact CZ-CG1 4.28Å |
| 266 | V | 97 | Very high | 91.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 179.8 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | A218 L219 L248 F262 H263 K268 C269 L270 | A218-V266 HydrophobicContact CB-CG2 4.36Å; L219-V266 HydrophobicContact CD1-CG1 4.37Å; L219-V266 HydrophobicContact CD2-CG1 3.92Å; L219-V266 HydrophobicContact CG-CG1 4.06Å; L248-V266 HydrophobicContact CD1-CB 4.47Å; L248-V266 HydrophobicContact CD1-CG2 3.97Å; L248-V266 HydrophobicContact CG-CG2 4.19Å; F262-V266 HydrophobicContact CD2-CG2 3.87Å; F262-V266 HydrophobicContact CE2-CG2 3.52Å; F262-V266 HydrophobicContact CZ-CG2 4.24Å; F262-V266 WeakPolarHBondContact O-CG2 3.37Å; F262-V266 PolarHBondContact O-N 2.99Å; H263-V266 PolarHBondContact O-N 2.82Å; V266-K268 VanDerWaalsContact C-N 3.31Å; V266-K268 PolarHBondContact O-N 3.14Å; V266-C269 PolarHBondContact O-N 2.99Å; V266-L270 HydrophobicContact CG1-CD1 3.74Å; V266-L270 HydrophobicContact CG1-CG 4.41Å; V266-L270 WeakPolarHBondContact O-CB 3.44Å; V266-L270 WeakPolarHBondContact O-CG 3.5Å; V266-L270 PolarHBondContact O-N 2.87Å |
| 267 | N | 95.9 | Very high | 92.5 | Very high | 51 Ų | 51 | 55.7 Ų | 55.7 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 177.3 | -73.2 | -28.3 | 0 | 0 | 0 | 112.1 | R247 H263 D264 F265 T271 | R247-N267 PolarHBondContact NH1-OD1 3.21Å; H263-N267 VanDerWaalsContact O-CB 3.29Å; H263-N267 WeakPolarHBondContact O-CB 3.22Å; H263-N267 PolarHBondContact O-N 2.79Å; H263-N267 PolarHBondContact O-ND2 2.93Å; H263-N267 VanDerWaalsContact O-ND2 3.07Å; D264-N267 PolarHBondContact O-N 3.03Å; F265-N267 PolarHBondContact O-N 2.81Å; N267-T271 PolarHBondContact O-N 2.89Å |
| 268 | K | 96.6 | Very high | 93.3 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 34% | 0.335 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.3 | -46.1 | 177.4 | -78.3 | 162.1 | 177.3 | 159.5 | 0 | 112 | D264 F265 V266 L270 T271 P278 H286 | D264-K268 WeakPolarHBondContact O-CB 3.28Å; D264-K268 WeakPolarHBondContact O-CG 3.45Å; D264-K268 PolarHBondContact O-N 3.4Å; D264-K268 WeakPolarHBondContact OD1-CE 3.12Å; D264-K268 IonicContact OD1-NZ 3.32Å; D264-K268 PolarHBondContact OD1-NZ 3.14Å; D264-K268 IonicContact OD2-NZ 3.45Å; D264-K268 PolarHBondContact OD2-NZ 3.07Å; F265-K268 PolarHBondContact O-N 2.83Å; V266-K268 VanDerWaalsContact C-N 3.31Å; V266-K268 PolarHBondContact O-N 3.14Å; K268-L270 VanDerWaalsContact C-N 3.28Å; K268-L270 PolarHBondContact O-N 3.19Å; K268-T271 PolarHBondContact O-N 2.82Å; K268-T271 PolarHBondContact O-OG1 3.5Å; K268-P278 HydrophobicContact CB-CG 4.26Å; K268-P278 WeakPolarHBondContact O-CD 3.42Å; K268-H286 VanDerWaalsContact CD-NE2 3.34Å; K268-H286 WeakPolarHBondContact CD-NE2 3.45Å; K268-H286 PolarHBondContact NZ-NE2 2.99Å |
| 269 | C | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56 | -43.3 | 175.2 | -65.8 | 0 | 0 | 0 | 0 | 112.1 | I211 F265 V266 T271 R277 L283 | I211-C269 HydrophobicContact CG2-CB 4.4Å; F265-C269 PolarHBondContact O-N 3.43Å; F265-C269 PolarHBondContact O-SG 3.15Å; V266-C269 PolarHBondContact O-N 2.99Å; C269-T271 VanDerWaalsContact C-N 3.28Å; C269-T271 PolarHBondContact O-N 2.91Å; C269-R277 VanDerWaalsContact O-CD 3.27Å; C269-R277 WeakPolarHBondContact O-CD 3.43Å; C269-L283 WeakPolarHBondContact SG-CD2 3.42Å |
| 270 | L | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 26.9 | -176.1 | -58.1 | 179.1 | 0 | 0 | 0 | 113.4 | W212 I216 L219 P245 P246 V266 K268 K272 | W212-L270 HydrophobicContact CD2-CD2 3.65Å; W212-L270 HydrophobicContact CE3-CB 4.27Å; W212-L270 HydrophobicContact CE3-CD2 3.92Å; W212-L270 HydrophobicContact CG-CD2 3.98Å; W212-L270 HydrophobicContact CZ2-CD2 4.32Å; W212-L270 HydrophobicContact CZ3-CB 4.15Å; W212-L270 HydrophobicContact CZ3-CD2 4.36Å; W212-L270 VanDerWaalsContact CZ3-O 3.24Å; W212-L270 WeakPolarHBondContact CZ3-O 3.25Å; W212-L270 WeakPolarHBondContact O-CD2 3.27Å; I216-L270 HydrophobicContact CD1-CD1 4.11Å; I216-L270 HydrophobicContact CD1-CD2 3.66Å; I216-L270 HydrophobicContact CG1-CD2 3.92Å; L219-L270 HydrophobicContact CD1-CD1 3.64Å; L219-L270 HydrophobicContact CG-CD1 4.44Å; P245-L270 HydrophobicContact CB-CB 4.38Å; P245-L270 WeakPolarHBondContact CB-O 3.4Å; P246-L270 HydrophobicContact CB-CD1 4.03Å; P246-L270 HydrophobicContact CG-CD1 4.44Å; P246-L270 VanDerWaalsContact O-CD1 3.29Å; P246-L270 WeakPolarHBondContact O-CD1 3.48Å; V266-L270 HydrophobicContact CG1-CD1 3.74Å; V266-L270 HydrophobicContact CG1-CG 4.41Å; V266-L270 WeakPolarHBondContact O-CB 3.44Å; V266-L270 WeakPolarHBondContact O-CG 3.5Å; V266-L270 PolarHBondContact O-N 2.87Å; K268-L270 VanDerWaalsContact C-N 3.28Å; K268-L270 PolarHBondContact O-N 3.19Å; L270-K272 PolarHBondContact O-N 3.02Å; L270-K272 VanDerWaalsContact O-N 3.11Å |
| 271 | T | 94.7 | Very high | 93.6 | Very high | 37 Ų | 37 | 46 Ų | 46 | 23% | 0.227 | 22% | 0.223 | C | C | . | . | trans | -63.1 | 113.7 | 168.3 | -55.2 | 0 | 0 | 0 | 0 | 109.1 | N267 K268 C269 D273 K276 R277 | N267-T271 PolarHBondContact O-N 2.89Å; K268-T271 PolarHBondContact O-N 2.82Å; K268-T271 PolarHBondContact O-OG1 3.5Å; C269-T271 VanDerWaalsContact C-N 3.28Å; C269-T271 PolarHBondContact O-N 2.91Å; T271-D273 WeakPolarHBondContact CG2-O 3.37Å; T271-D273 PolarHBondContact O-N 3.45Å; T271-K276 HydrophobicContact CG2-CB 3.89Å; T271-R277 PolarHBondContact O-NE 2.86Å; T271-R277 PolarHBondContact O-NH2 2.67Å; T271-R277 VanDerWaalsContact O-NH2 3.1Å | ||
| 272 | K | 89.3 | Confident | 93.6 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 25% | 0.248 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -56.9 | -48.6 | -179.4 | -91.2 | -160.5 | 170.5 | -179.6 | 0 | 112.7 | P192 W212 I240 M241 R242 N243 P245 L270 F274 R277 | P192-K272 HydrophobicContact CG-CG 4.11Å; W212-K272 HydrophobicContact CH2-CG 4.21Å; W212-K272 HydrophobicContact CZ3-CG 4.08Å; I240-K272 VanDerWaalsContact O-CE 3.26Å; I240-K272 WeakPolarHBondContact O-CE 3.07Å; I240-K272 PolarHBondContact O-NZ 3.33Å; M241-K272 VanDerWaalsContact C-NZ 3.28Å; M241-K272 PolarHBondContact O-NZ 3.44Å; R242-K272 PolarHBondContact O-NZ 2.84Å; N243-K272 WeakPolarHBondContact O-CE 3.38Å; N243-K272 PolarHBondContact O-NZ 3.17Å; P245-K272 HydrophobicContact CG-CG 4.26Å; L270-K272 PolarHBondContact O-N 3.02Å; L270-K272 VanDerWaalsContact O-N 3.11Å; K272-F274 PolarHBondContact O-N 3.05Å; K272-R277 PolarHBondContact O-NH2 3.27Å |
| 273 | D | 87.2 | Confident | 93.6 | Very high | 57 Ų | 57 | 45.4 Ų | 45.4 | 31% | 0.305 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -67 | 105.9 | 174.9 | -179.1 | -18.3 | 0 | 0 | 0 | 109.5 | T271 H275 K276 R277 | T271-D273 WeakPolarHBondContact CG2-O 3.37Å; T271-D273 PolarHBondContact O-N 3.45Å; D273-H275 PolarHBondContact O-N 2.95Å; D273-H275 WeakPolarHBondContact OD1-CB 3.01Å; D273-H275 PolarHBondContact OD1-N 2.99Å; D273-K276 HydrophobicContact CB-CB 4.13Å; D273-K276 HydrophobicContact CB-CD 4.28Å; D273-K276 HydrophobicContact CB-CG 4.23Å; D273-K276 PolarHBondContact O-N 3.21Å; D273-K276 PolarHBondContact OD1-N 3.29Å; D273-K276 WeakPolarHBondContact OD2-CD 3.17Å; D273-K276 WeakPolarHBondContact OD2-CG 3.34Å; D273-K276 IonicContact OD2-NZ 2.71Å; D273-K276 PolarHBondContact OD2-NZ 3.15Å; D273-R277 PolarHBondContact O-N 2.84Å |
| 274 | F | 87.2 | Confident | 93.6 | Very high | 35 Ų | 35 | 45.9 Ų | 45.9 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -37.3 | -179.8 | 132.3 | -114.5 | 0 | 0 | 0 | 112.2 | E193 D206 R208 K272 K276 R277 | E193-F274 HydrophobicContact CB-CB 4.35Å; E193-F274 HydrophobicContact CG-CB 3.96Å; E193-F274 HydrophobicContact CG-CG 4.31Å; D206-F274 HydrophobicContact CB-CD2 4.02Å; D206-F274 HydrophobicContact CB-CE2 3.31Å; D206-F274 HydrophobicContact CB-CZ 3.64Å; D206-F274 WeakPolarHBondContact OD2-CE2 3.41Å; D206-F274 WeakPolarHBondContact OD2-CZ 3.05Å; R208-F274 HydrophobicContact CB-CD2 3.8Å; R208-F274 HydrophobicContact CB-CE2 4.14Å; R208-F274 VanDerWaalsContact CD-O 3.23Å; R208-F274 WeakPolarHBondContact CD-O 3.48Å; R208-F274 HydrophobicContact CG-CD2 4.35Å; R208-F274 HydrophobicContact CG-CE2 4.33Å; R208-F274 PolarHBondContact NH1-O 3.38Å; K272-F274 PolarHBondContact O-N 3.05Å; F274-K276 VanDerWaalsContact C-N 3.28Å; F274-K276 PolarHBondContact O-N 2.91Å; F274-R277 WeakPolarHBondContact O-CB 3.38Å; F274-R277 PolarHBondContact O-N 3.3Å |
| 275 | H | 85.6 | Confident | 93.5 | Very high | 138 Ų | 138 | 52.2 Ų | 52.2 | 64% | 0.639 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -24.6 | 179.6 | -64 | -69.1 | 0 | 0 | 0 | 112.9 | R208 D273 | R208-H275 PolarHBondContact NH1-O 3.34Å; D273-H275 PolarHBondContact O-N 2.95Å; D273-H275 WeakPolarHBondContact OD1-CB 3.01Å; D273-H275 PolarHBondContact OD1-N 2.99Å |
| 276 | K | 92.1 | Very high | 93.5 | Very high | 158 Ų | 158 | 52.9 Ų | 52.9 | 69% | 0.687 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -19.2 | 174.3 | -64.9 | -175.3 | -179.2 | 89.8 | 0 | 113.7 | T271 D273 F274 | T271-K276 HydrophobicContact CG2-CB 3.89Å; D273-K276 HydrophobicContact CB-CB 4.13Å; D273-K276 HydrophobicContact CB-CD 4.28Å; D273-K276 HydrophobicContact CB-CG 4.23Å; D273-K276 PolarHBondContact O-N 3.21Å; D273-K276 PolarHBondContact OD1-N 3.29Å; D273-K276 WeakPolarHBondContact OD2-CD 3.17Å; D273-K276 WeakPolarHBondContact OD2-CG 3.34Å; D273-K276 IonicContact OD2-NZ 2.71Å; D273-K276 PolarHBondContact OD2-NZ 3.15Å; F274-K276 VanDerWaalsContact C-N 3.28Å; F274-K276 PolarHBondContact O-N 2.91Å |
| 277 | R | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -62.5 | 135.8 | 173.4 | -161.3 | -177.5 | -56.1 | 146.7 | 8.6 | 109.7 | E193 R208 I211 C269 T271 K272 D273 F274 | E193-R277 IonicContact OE1-CZ 2.73Å; E193-R277 IonicContact OE1-NH1 2.66Å; E193-R277 PolarHBondContact OE1-NH1 3.2Å; E193-R277 IonicContact OE1-NH2 3Å; E193-R277 PolarHBondContact OE1-NH2 3.36Å; E193-R277 IonicContact OE2-CZ 2.75Å; E193-R277 IonicContact OE2-NH1 3.28Å; E193-R277 PolarHBondContact OE2-NH1 3.39Å; E193-R277 IonicContact OE2-NH2 2.59Å; E193-R277 PolarHBondContact OE2-NH2 2.81Å; R208-R277 WeakPolarHBondContact CD-O 3.29Å; R208-R277 PolarHBondContact NH1-O 2.7Å; R208-R277 WeakPolarHBondContact O-CD 3.36Å; R208-R277 PolarHBondContact O-NH1 3.05Å; I211-R277 HydrophobicContact CG2-CG 4.03Å; C269-R277 VanDerWaalsContact O-CD 3.27Å; C269-R277 WeakPolarHBondContact O-CD 3.43Å; T271-R277 PolarHBondContact O-NE 2.86Å; T271-R277 PolarHBondContact O-NH2 2.67Å; T271-R277 VanDerWaalsContact O-NH2 3.1Å; K272-R277 PolarHBondContact O-NH2 3.27Å; D273-R277 PolarHBondContact O-N 2.84Å; F274-R277 WeakPolarHBondContact O-CB 3.38Å; F274-R277 PolarHBondContact O-N 3.3Å |
| 278 | P | 94.8 | Very high | 93.3 | Very high | 21 Ų | 21 | 54.8 Ų | 54.8 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 153.4 | 179.8 | 28.2 | -35.7 | 0 | 0 | 0 | 111.8 | K268 E282 L283 | K268-P278 HydrophobicContact CB-CG 4.26Å; K268-P278 WeakPolarHBondContact O-CD 3.42Å; P278-E282 WeakPolarHBondContact CA-OE2 3.47Å; P278-E282 HydrophobicContact CB-CB 3.97Å; P278-L283 HydrophobicContact CB-CB 4.4Å; P278-L283 HydrophobicContact CG-CB 4.28Å; P278-L283 HydrophobicContact CG-CD1 4.23Å |
| 279 | N | 93 | Very high | 93.2 | Very high | 49 Ų | 49 | 51.3 Ų | 51.3 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -79.3 | 170.9 | 168 | 67.9 | 57.4 | 0 | 0 | 0 | 111.8 | S281 E282 L283 | N279-S281 VanDerWaalsContact C-N 3.29Å; N279-S281 PolarHBondContact O-N 3.02Å; N279-S281 WeakPolarHBondContact OD1-CA 3.06Å; N279-S281 WeakPolarHBondContact OD1-CB 3.43Å; N279-S281 PolarHBondContact OD1-N 2.77Å; N279-E282 VanDerWaalsContact CG-CD 3.46Å; N279-E282 PolarHBondContact N-OE2 3.28Å; N279-E282 PolarHBondContact ND2-OE1 2.97Å; N279-E282 PolarHBondContact ND2-OE2 3.06Å; N279-E282 PolarHBondContact O-N 3.16Å; N279-E282 PolarHBondContact OD1-N 3.06Å; N279-L283 WeakPolarHBondContact O-CB 3.43Å; N279-L283 PolarHBondContact O-N 3.37Å |
| 280 | T | 94 | Very high | 92.9 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.2 | -36 | -179.5 | 31.2 | 0 | 0 | 0 | 0 | 113.9 | L133 L136 M137 H140 I211 F284 | L133-T280 HydrophobicContact CD2-CG2 4.11Å; L136-T280 HydrophobicContact CB-CG2 3.66Å; M137-T280 HydrophobicContact CG-CG2 4.37Å; H140-T280 VanDerWaalsContact CE1-CG2 3.43Å; H140-T280 WeakPolarHBondContact CE1-CG2 3.34Å; H140-T280 WeakPolarHBondContact ND1-CG2 3.33Å; H140-T280 PolarHBondContact ND1-OG1 3.12Å; H140-T280 VanDerWaalsContact ND1-OG1 3.12Å; I211-T280 HydrophobicContact CD1-CG2 3.49Å; I211-T280 VanDerWaalsContact CD1-CG2 3.49Å; I211-T280 HydrophobicContact CG1-CG2 4.37Å; T280-F284 VanDerWaalsContact O-CB 3.24Å; T280-F284 WeakPolarHBondContact O-CB 3.22Å; T280-F284 PolarHBondContact O-N 3.32Å |
| 281 | S | 92.6 | Very high | 92.4 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -76.5 | -29.8 | -179 | -60.3 | 0 | 0 | 0 | 0 | 113.5 | N279 R285 | N279-S281 VanDerWaalsContact C-N 3.29Å; N279-S281 PolarHBondContact O-N 3.02Å; N279-S281 WeakPolarHBondContact OD1-CA 3.06Å; N279-S281 WeakPolarHBondContact OD1-CB 3.43Å; N279-S281 PolarHBondContact OD1-N 2.77Å; S281-R285 WeakPolarHBondContact O-CG 3.46Å |
| 282 | E | 94.6 | Very high | 92.1 | Very high | 99 Ų | 99 | 58 Ų | 58 | 46% | 0.463 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.3 | -49.8 | 170.2 | -74.2 | 152.1 | -168.6 | 0 | 0 | 110.8 | P278 N279 F284 R285 | P278-E282 WeakPolarHBondContact CA-OE2 3.47Å; P278-E282 HydrophobicContact CB-CB 3.97Å; N279-E282 VanDerWaalsContact CG-CD 3.46Å; N279-E282 PolarHBondContact N-OE2 3.28Å; N279-E282 PolarHBondContact ND2-OE1 2.97Å; N279-E282 PolarHBondContact ND2-OE2 3.06Å; N279-E282 PolarHBondContact O-N 3.16Å; N279-E282 PolarHBondContact OD1-N 3.06Å; E282-F284 VanDerWaalsContact C-N 3.29Å; E282-F284 PolarHBondContact O-N 2.66Å; E282-R285 WeakPolarHBondContact O-CB 3.34Å; E282-R285 PolarHBondContact O-N 3.32Å |
| 283 | L | 95.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.7 | -26.8 | -177.5 | -171.5 | 62.6 | 0 | 0 | 0 | 112.8 | L133 I211 L214 F265 C269 P278 N279 R285 H286 | L133-L283 HydrophobicContact CD1-CD2 4.46Å; L133-L283 HydrophobicContact CD1-CG 4.18Å; L133-L283 HydrophobicContact CD2-CB 4.43Å; L133-L283 HydrophobicContact CD2-CD2 3.96Å; L133-L283 HydrophobicContact CD2-CG 4.28Å; I211-L283 HydrophobicContact CD1-CD2 3.97Å; I211-L283 HydrophobicContact CG2-CD2 3.62Å; L214-L283 HydrophobicContact CD2-CD2 4.28Å; F265-L283 HydrophobicContact CD2-CD1 3.72Å; F265-L283 HydrophobicContact CD2-CG 4.38Å; F265-L283 HydrophobicContact CE2-CD1 3.67Å; F265-L283 HydrophobicContact CE2-CD2 4.08Å; F265-L283 HydrophobicContact CE2-CG 3.82Å; C269-L283 WeakPolarHBondContact SG-CD2 3.42Å; P278-L283 HydrophobicContact CB-CB 4.4Å; P278-L283 HydrophobicContact CG-CB 4.28Å; P278-L283 HydrophobicContact CG-CD1 4.23Å; N279-L283 WeakPolarHBondContact O-CB 3.43Å; N279-L283 PolarHBondContact O-N 3.37Å; L283-R285 PolarHBondContact O-N 3Å; L283-H286 HydrophobicContact CD1-CB 4.21Å; L283-H286 WeakPolarHBondContact O-CB 3.49Å; L283-H286 PolarHBondContact O-N 3.48Å; L283-H286 VanDerWaalsContact O-N 3.08Å |
| 284 | F | 94.7 | Very high | 91.5 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -19.2 | 170.9 | -169.1 | -101.5 | 0 | 0 | 0 | 113.4 | R130 L133 R134 M137 T280 E282 H286 I289 T290 | R130-F284 HydrophobicContact CG-CD2 4.43Å; R130-F284 HydrophobicContact CG-CE2 3.66Å; R130-F284 HydrophobicContact CG-CZ 4.37Å; L133-F284 HydrophobicContact CB-CD2 4.07Å; R134-F284 HydrophobicContact CG-CE2 3.68Å; R134-F284 HydrophobicContact CG-CZ 4.17Å; M137-F284 HydrophobicContact SD-CB 3.68Å; M137-F284 HydrophobicContact SD-CD1 4.12Å; M137-F284 HydrophobicContact SD-CD2 3.98Å; M137-F284 HydrophobicContact SD-CG 3.64Å; T280-F284 VanDerWaalsContact O-CB 3.24Å; T280-F284 WeakPolarHBondContact O-CB 3.22Å; T280-F284 PolarHBondContact O-N 3.32Å; E282-F284 VanDerWaalsContact C-N 3.29Å; E282-F284 PolarHBondContact O-N 2.66Å; F284-H286 VanDerWaalsContact C-N 3.32Å; F284-I289 HydrophobicContact CD2-CG2 4.09Å; F284-I289 HydrophobicContact CE2-CG2 4.39Å; F284-T290 WeakPolarHBondContact O-CG2 3.44Å |
| 285 | R | 94.7 | Very high | 91.5 | Very high | 196 Ų | 196 | 64.4 Ų | 64.4 | 74% | 0.74 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 2.7 | 173.4 | -58.7 | 172.6 | -173.4 | 179.4 | 0.8 | 113 | S281 E282 L283 | S281-R285 WeakPolarHBondContact O-CG 3.46Å; E282-R285 WeakPolarHBondContact O-CB 3.34Å; E282-R285 PolarHBondContact O-N 3.32Å; L283-R285 PolarHBondContact O-N 3Å |
| 286 | H | 96.4 | Very high | 91.7 | Very high | 15 Ų | 15 | 67.8 Ų | 67.8 | 7% | 0.069 | 33% | 0.326 | C | S | . | . | trans | -63.9 | 144.9 | -178.4 | -160.3 | -92.4 | 0 | 0 | 0 | 111.8 | R261 D264 F265 K268 L283 F284 F288 I289 T290 | R261-H286 PolarHBondContact O-CE1 3.33Å; D264-H286 IonicContact OD2-CE1 3.92Å; D264-H286 IonicContact OD2-NE2 3.58Å; D264-H286 PolarHBondContact OD2-NE2 2.95Å; D264-H286 VanDerWaalsContact OD2-NE2 3.12Å; F265-H286 HydrophobicContact CD2-CB 4.29Å; F265-H286 AromaticContact CD2-ND1 3.9Å; F265-H286 PolarHBondContact N-CE1 3.01Å; F265-H286 VanDerWaalsContact N-CE1 3.32Å; K268-H286 VanDerWaalsContact CD-NE2 3.34Å; K268-H286 WeakPolarHBondContact CD-NE2 3.45Å; K268-H286 PolarHBondContact NZ-NE2 2.99Å; L283-H286 HydrophobicContact CD1-CB 4.21Å; L283-H286 WeakPolarHBondContact O-CB 3.49Å; L283-H286 PolarHBondContact O-N 3.48Å; L283-H286 VanDerWaalsContact O-N 3.08Å; F284-H286 VanDerWaalsContact C-N 3.32Å; H286-F288 VanDerWaalsContact C-N 3.31Å; H286-F288 PolarHBondContact ND1-N 3.21Å; H286-F288 PolarHBondContact O-N 3.49Å; H286-I289 HydrophobicContact CB-CB 4.32Å; H286-I289 HydrophobicContact CB-CG1 4.17Å; H286-I289 WeakPolarHBondContact O-CA 3.41Å; H286-I289 PolarHBondContact O-N 2.98Å; H286-T290 PolarHBondContact O-N 3.31Å; H286-T290 PolarHBondContact O-OG1 2.68Å | ||
| 287 | E | 93.6 | Very high | 91.8 | Very high | 81 Ų | 81 | 64.9 Ų | 64.9 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | -173.2 | -154.5 | -169.2 | -178.8 | 0 | 0 | 112.2 | R261 I289 T290 N291 | R261-E287 WeakPolarHBondContact CD-OE2 3.46Å; R261-E287 HydrophobicContact CG-CB 4.5Å; R261-E287 WeakPolarHBondContact CG-OE2 3.39Å; R261-E287 IonicContact CZ-OE1 3.52Å; R261-E287 VanDerWaalsContact CZ-OE1 3.24Å; R261-E287 IonicContact CZ-OE2 3.12Å; R261-E287 IonicContact NE-OE1 2.71Å; R261-E287 PolarHBondContact NE-OE1 3.36Å; R261-E287 VanDerWaalsContact NE-OE1 3.16Å; R261-E287 IonicContact NE-OE2 2.71Å; R261-E287 PolarHBondContact NE-OE2 3.49Å; R261-E287 IonicContact NH2-OE1 3.51Å; R261-E287 PolarHBondContact NH2-OE1 3.1Å; R261-E287 IonicContact NH2-OE2 3.55Å; E287-I289 PolarHBondContact O-N 2.82Å; E287-I289 VanDerWaalsContact O-N 3.15Å; E287-T290 WeakPolarHBondContact CA-OG1 3.27Å; E287-T290 PolarHBondContact O-N 3.49Å; E287-T290 PolarHBondContact O-OG1 2.85Å; E287-N291 HydrophobicContact CG-CB 4.25Å; E287-N291 WeakPolarHBondContact CG-ND2 3.23Å; E287-N291 WeakPolarHBondContact O-CB 3.32Å; E287-N291 PolarHBondContact O-N 3.48Å; E287-N291 PolarHBondContact OE1-ND2 2.76Å |
| 288 | F | 94.9 | Very high | 91.7 | Very high | 10 Ų | 10 | 65 Ų | 65 | 4% | 0.044 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.5 | -25.9 | 171.6 | -175.3 | -113.4 | 0 | 0 | 0 | 114.7 | E122 I125 A126 R261 F262 F265 H286 | E122-F288 HydrophobicContact CG-CE2 3.7Å; E122-F288 HydrophobicContact CG-CZ 4.28Å; I125-F288 HydrophobicContact CB-CZ 4.47Å; I125-F288 HydrophobicContact CG2-CE1 4.49Å; I125-F288 HydrophobicContact CG2-CZ 4.2Å; A126-F288 HydrophobicContact CB-CD1 4.38Å; A126-F288 HydrophobicContact CB-CD2 4.32Å; A126-F288 HydrophobicContact CB-CE1 3.92Å; A126-F288 HydrophobicContact CB-CE2 3.85Å; A126-F288 HydrophobicContact CB-CZ 3.63Å; R261-F288 HydrophobicContact CB-CB 4.22Å; R261-F288 HydrophobicContact CB-CD2 4.45Å; F262-F288 HydrophobicContact CB-CD2 3.79Å; F262-F288 HydrophobicContact CB-CE2 3.46Å; F262-F288 VanDerWaalsContact CB-CE2 3.46Å; F262-F288 HydrophobicContact CB-CZ 4.04Å; F262-F288 HydrophobicContact CD1-CE2 4.43Å; F262-F288 HydrophobicContact CD1-CZ 4.41Å; F262-F288 HydrophobicContact CD2-CD1 4.27Å; F262-F288 HydrophobicContact CD2-CD2 4.3Å; F262-F288 AromaticContact CD2-CE1 3.6Å; F262-F288 HydrophobicContact CD2-CE1 3.6Å; F262-F288 AromaticContact CD2-CE2 3.64Å; F262-F288 HydrophobicContact CD2-CE2 3.64Å; F262-F288 AromaticContact CD2-CZ 3.23Å; F262-F288 HydrophobicContact CD2-CZ 3.23Å; F262-F288 HydrophobicContact CE2-CE1 4.02Å; F262-F288 AromaticContact CE2-CZ 3.76Å; F262-F288 HydrophobicContact CE2-CZ 3.76Å; F262-F288 HydrophobicContact CG-CD2 4.31Å; F262-F288 HydrophobicContact CG-CE1 4.4Å; F262-F288 AromaticContact CG-CE2 3.59Å; F262-F288 HydrophobicContact CG-CE2 3.59Å; F262-F288 AromaticContact CG-CZ 3.64Å; F262-F288 HydrophobicContact CG-CZ 3.64Å; F265-F288 HydrophobicContact CB-CB 3.94Å; F265-F288 HydrophobicContact CB-CD1 3.77Å; F265-F288 HydrophobicContact CB-CG 4.01Å; F265-F288 AromaticContact CD1-CD1 3.58Å; F265-F288 HydrophobicContact CD1-CD1 3.58Å; F265-F288 AromaticContact CD1-CE1 3.74Å; F265-F288 HydrophobicContact CD1-CE1 3.74Å; F265-F288 AromaticContact CD2-CD1 3.95Å; F265-F288 HydrophobicContact CD2-CD1 3.95Å; F265-F288 HydrophobicContact CE1-CD1 4.14Å; F265-F288 HydrophobicContact CE1-CE1 4.1Å; F265-F288 HydrophobicContact CE2-CD1 4.46Å; F265-F288 HydrophobicContact CG-CB 4.35Å; F265-F288 AromaticContact CG-CD1 3.48Å; F265-F288 HydrophobicContact CG-CD1 3.48Å; F265-F288 VanDerWaalsContact CG-CD1 3.48Å; F265-F288 HydrophobicContact CG-CE1 4.13Å; F265-F288 HydrophobicContact CG-CG 4.21Å; H286-F288 VanDerWaalsContact C-N 3.31Å; H286-F288 PolarHBondContact ND1-N 3.21Å; H286-F288 PolarHBondContact O-N 3.49Å |
| 289 | I | 94.7 | Very high | 91.6 | Very high | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -103.5 | -27.5 | -172.3 | -63 | -59.9 | 0 | 0 | 0 | 111.6 | R130 L133 F265 F284 H286 E287 | R130-I289 HydrophobicContact CB-CD1 4.3Å; R130-I289 HydrophobicContact CB-CG2 3.87Å; R130-I289 WeakPolarHBondContact CD-O 3.48Å; R130-I289 HydrophobicContact CG-CG2 3.68Å; L133-I289 HydrophobicContact CD1-CD1 4.11Å; L133-I289 HydrophobicContact CD1-CG1 4.02Å; L133-I289 HydrophobicContact CD1-CG2 4.04Å; F265-I289 HydrophobicContact CD2-CD1 4.19Å; F265-I289 HydrophobicContact CD2-CG1 3.82Å; F265-I289 HydrophobicContact CE2-CD1 3.65Å; F265-I289 HydrophobicContact CE2-CG1 3.51Å; F265-I289 HydrophobicContact CZ-CD1 3.89Å; F265-I289 HydrophobicContact CZ-CG1 4.28Å; F284-I289 HydrophobicContact CD2-CG2 4.09Å; F284-I289 HydrophobicContact CE2-CG2 4.39Å; H286-I289 HydrophobicContact CB-CB 4.32Å; H286-I289 HydrophobicContact CB-CG1 4.17Å; H286-I289 WeakPolarHBondContact O-CA 3.41Å; H286-I289 PolarHBondContact O-N 2.98Å; E287-I289 PolarHBondContact O-N 2.82Å; E287-I289 VanDerWaalsContact O-N 3.15Å |
| 290 | T | 91.1 | Very high | 91.7 | Very high | 72 Ų | 72 | 67.9 Ų | 67.9 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -91.1 | -46.1 | 178.7 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | F284 H286 E287 L292 | F284-T290 WeakPolarHBondContact O-CG2 3.44Å; H286-T290 PolarHBondContact O-N 3.31Å; H286-T290 PolarHBondContact O-OG1 2.68Å; E287-T290 WeakPolarHBondContact CA-OG1 3.27Å; E287-T290 PolarHBondContact O-N 3.49Å; E287-T290 PolarHBondContact O-OG1 2.85Å; T290-L292 VanDerWaalsContact C-N 3.28Å; T290-L292 PolarHBondContact O-N 3.02Å |
| 291 | N | 86.2 | Confident | 91.7 | Very high | 85 Ų | 85 | 70 Ų | 70 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | trans | -86.9 | 66.3 | -176.3 | -69.5 | -12 | 0 | 0 | 0 | 111.1 | E287 P293 | E287-N291 HydrophobicContact CG-CB 4.25Å; E287-N291 WeakPolarHBondContact CG-ND2 3.23Å; E287-N291 WeakPolarHBondContact O-CB 3.32Å; E287-N291 PolarHBondContact O-N 3.48Å; E287-N291 PolarHBondContact OE1-ND2 2.76Å; N291-P293 VanDerWaalsContact C-CD 3.42Å; N291-P293 WeakPolarHBondContact O-CD 3.44Å | ||
| 292 | L | 86.7 | Confident | 91.7 | Very high | 20 Ų | 20 | 67.3 Ų | 67.3 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | trans | -99 | 79.1 | 173.1 | -97.2 | 158.6 | 0 | 0 | 0 | 110.5 | A126 R130 T290 N294 I298 | A126-L292 HydrophobicContact CB-CD1 4.24Å; A126-L292 HydrophobicContact CB-CD2 3.82Å; A126-L292 HydrophobicContact CB-CG 4.13Å; R130-L292 HydrophobicContact CB-CD1 4.42Å; T290-L292 VanDerWaalsContact C-N 3.28Å; T290-L292 PolarHBondContact O-N 3.02Å; L292-N294 PolarHBondContact O-N 3.37Å; L292-I298 HydrophobicContact CD2-CD1 3.58Å | ||
| 293 | P | 78.9 | Confident | 91.7 | Very high | 88 Ų | 88 | 65.4 Ų | 65.4 | 57% | 0.571 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 141.1 | 175.2 | 28.6 | -35.6 | 0 | 0 | 0 | 109.9 | N291 E295 I298 | N291-P293 VanDerWaalsContact C-CD 3.42Å; N291-P293 WeakPolarHBondContact O-CD 3.44Å; P293-E295 PolarHBondContact O-N 3Å; P293-I298 WeakPolarHBondContact O-CD1 3.37Å |
| 294 | N | 85.4 | Confident | 91.6 | Very high | 124 Ų | 124 | 68.9 Ų | 68.9 | 66% | 0.663 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 34.5 | 177.5 | -45.8 | -55.9 | 0 | 0 | 0 | 115.2 | L292 R296 Q297 I298 | L292-N294 PolarHBondContact O-N 3.37Å; N294-R296 PolarHBondContact O-N 3.23Å; N294-Q297 HydrophobicContact CB-CB 3.95Å; N294-Q297 WeakPolarHBondContact O-CA 3.15Å; N294-Q297 WeakPolarHBondContact O-CB 3.46Å; N294-Q297 PolarHBondContact O-N 3.49Å; N294-I298 PolarHBondContact O-N 3.28Å |
| 295 | E | 87.6 | Confident | 91.5 | Very high | 72 Ų | 72 | 67.9 Ų | 67.9 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -39.3 | -47.3 | 174.2 | 170.4 | 176.4 | 174.2 | 0 | 0 | 113.6 | Y127 R130 P293 Q297 I298 R299 | Y127-E295 HydrophobicContact CD2-CG 4.35Å; Y127-E295 HydrophobicContact CE2-CG 4.24Å; R130-E295 IonicContact CZ-OE1 2.79Å; R130-E295 IonicContact CZ-OE2 3.96Å; R130-E295 VanDerWaalsContact NH1-CD 3.29Å; R130-E295 IonicContact NH1-OE1 3.24Å; R130-E295 IonicContact NH1-OE2 3.16Å; R130-E295 PolarHBondContact NH1-OE2 2.8Å; R130-E295 IonicContact NH2-OE1 2.66Å; R130-E295 PolarHBondContact NH2-OE1 3.34Å; R130-E295 IonicContact NH2-OE2 2.79Å; R130-E295 PolarHBondContact NH2-OE2 2.78Å; P293-E295 PolarHBondContact O-N 3Å; E295-Q297 VanDerWaalsContact C-N 3.31Å; E295-Q297 PolarHBondContact O-N 2.9Å; E295-I298 WeakPolarHBondContact O-CB 3.32Å; E295-I298 PolarHBondContact O-N 2.55Å; E295-R299 PolarHBondContact O-N 3.39Å |
| 296 | R | 90 | Very high | 91.4 | Very high | 209 Ų | 209 | 59 Ų | 59 | 79% | 0.789 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.5 | -41.3 | 179 | -173.9 | -179.4 | 179.5 | -169 | 0.4 | 112 | N294 I300 | N294-R296 PolarHBondContact O-N 3.23Å; R296-I300 HydrophobicContact CG-CD1 4.07Å; R296-I300 WeakPolarHBondContact O-CB 3.23Å; R296-I300 WeakPolarHBondContact O-CD1 3.45Å; R296-I300 WeakPolarHBondContact O-CG1 3.46Å; R296-I300 PolarHBondContact O-N 3.42Å |
| 297 | Q | 93.2 | Very high | 91.2 | Very high | 97 Ų | 97 | 60.6 Ų | 60.6 | 45% | 0.453 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -72.1 | -34 | 177.7 | -164.2 | 61.8 | 29 | 0 | 0 | 111.9 | N294 E295 I300 Q301 | N294-Q297 HydrophobicContact CB-CB 3.95Å; N294-Q297 WeakPolarHBondContact O-CA 3.15Å; N294-Q297 WeakPolarHBondContact O-CB 3.46Å; N294-Q297 PolarHBondContact O-N 3.49Å; E295-Q297 VanDerWaalsContact C-N 3.31Å; E295-Q297 PolarHBondContact O-N 2.9Å; Q297-I300 PolarHBondContact O-N 2.62Å; Q297-Q301 WeakPolarHBondContact O-CB 3.47Å; Q297-Q301 WeakPolarHBondContact O-CG 3.4Å; Q297-Q301 PolarHBondContact O-N 3.17Å |
| 298 | I | 93.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -48.5 | 174.1 | -66.5 | 165.8 | 0 | 0 | 0 | 110 | D123 Y127 L292 P293 N294 E295 I300 Q301 L302 | D123-I298 HydrophobicContact CB-CD1 3.86Å; D123-I298 HydrophobicContact CB-CG1 4.02Å; D123-I298 HydrophobicContact CB-CG2 4.43Å; Y127-I298 HydrophobicContact CG-CG2 4.28Å; L292-I298 HydrophobicContact CD2-CD1 3.58Å; P293-I298 WeakPolarHBondContact O-CD1 3.37Å; N294-I298 PolarHBondContact O-N 3.28Å; E295-I298 WeakPolarHBondContact O-CB 3.32Å; E295-I298 PolarHBondContact O-N 2.55Å; I298-I300 VanDerWaalsContact C-N 3.34Å; I298-I300 PolarHBondContact O-N 3.34Å; I298-Q301 PolarHBondContact O-N 3.13Å; I298-L302 WeakPolarHBondContact O-CB 3.45Å; I298-L302 PolarHBondContact O-N 2.92Å |
| 299 | R | 93.4 | Very high | 90.4 | Very high | 70 Ų | 70 | 65.6 Ų | 65.6 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 175.5 | -174 | 179.8 | 169.8 | 172.6 | -8 | 112.3 | Y127 N159 A160 E161 E295 L302 K303 | Y127-R299 HydrophobicContact CE2-CB 4.45Å; Y127-R299 WeakPolarHBondContact OH-CD 3.48Å; N159-R299 VanDerWaalsContact O-CZ 3.25Å; N159-R299 PolarHBondContact O-NE 3.46Å; N159-R299 PolarHBondContact O-NH2 3.35Å; A160-R299 HydrophobicContact CB-CG 4.07Å; E161-R299 VanDerWaalsContact CG-CZ 3.5Å; E161-R299 IonicContact OE1-CZ 3.49Å; E161-R299 IonicContact OE1-NH1 2.68Å; E161-R299 PolarHBondContact OE1-NH1 2.92Å; E161-R299 VanDerWaalsContact OE1-NH1 3.12Å; E161-R299 IonicContact OE1-NH2 3.49Å; E161-R299 PolarHBondContact OE1-NH2 3.03Å; E295-R299 PolarHBondContact O-N 3.39Å; R299-L302 PolarHBondContact O-N 3.05Å; R299-K303 WeakPolarHBondContact O-CB 3.23Å; R299-K303 PolarHBondContact O-N 3.47Å |
| 300 | I | 94 | Very high | 89.9 | Confident | 60 Ų | 60 | 70.7 Ų | 70.7 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.2 | -52.6 | 173.1 | -71.9 | 163.8 | 0 | 0 | 0 | 110.5 | R296 Q297 I298 L302 K303 D304 | R296-I300 HydrophobicContact CG-CD1 4.07Å; R296-I300 WeakPolarHBondContact O-CB 3.23Å; R296-I300 WeakPolarHBondContact O-CD1 3.45Å; R296-I300 WeakPolarHBondContact O-CG1 3.46Å; R296-I300 PolarHBondContact O-N 3.42Å; Q297-I300 PolarHBondContact O-N 2.62Å; I298-I300 VanDerWaalsContact C-N 3.34Å; I298-I300 PolarHBondContact O-N 3.34Å; I300-L302 VanDerWaalsContact C-N 3.25Å; I300-L302 PolarHBondContact O-N 2.93Å; I300-K303 CarbonylContact O-C 3.58Å; I300-K303 PolarHBondContact O-N 2.8Å; I300-K303 VanDerWaalsContact O-N 3.07Å; I300-D304 WeakPolarHBondContact CG2-OD2 3.37Å; I300-D304 WeakPolarHBondContact O-CB 3.28Å; I300-D304 PolarHBondContact O-N 3.13Å |
| 301 | Q | 93.8 | Very high | 89.5 | Confident | 53 Ų | 53 | 74.4 Ų | 74.4 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.6 | -37.9 | 178 | -76.6 | -177.3 | 49.9 | 0 | 0 | 113.3 | W124 Q297 I298 H305 | W124-Q301 HydrophobicContact CZ2-CB 4.12Å; Q297-Q301 WeakPolarHBondContact O-CB 3.47Å; Q297-Q301 WeakPolarHBondContact O-CG 3.4Å; Q297-Q301 PolarHBondContact O-N 3.17Å; I298-Q301 PolarHBondContact O-N 3.13Å; Q301-H305 WeakPolarHBondContact O-CB 3.43Å; Q301-H305 PolarHBondContact O-N 2.96Å; Q301-H305 VanDerWaalsContact O-N 3.12Å |
| 302 | L | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 176.7 | -178.7 | 58.3 | 0 | 0 | 0 | 111.1 | L111 W124 Y127 A160 I298 R299 I300 H305 I306 | L111-L302 HydrophobicContact CD1-CD1 3.99Å; L111-L302 HydrophobicContact CD2-CD1 3.68Å; W124-L302 HydrophobicContact CD2-CD1 4.24Å; W124-L302 HydrophobicContact CE3-CD1 3.96Å; W124-L302 HydrophobicContact CZ3-CD1 4.25Å; Y127-L302 HydrophobicContact CD1-CD2 4.06Å; Y127-L302 HydrophobicContact CE1-CD2 4.08Å; A160-L302 HydrophobicContact CB-CB 4.27Å; A160-L302 HydrophobicContact CB-CD2 4.16Å; A160-L302 HydrophobicContact CB-CG 4.01Å; I298-L302 WeakPolarHBondContact O-CB 3.45Å; I298-L302 PolarHBondContact O-N 2.92Å; R299-L302 PolarHBondContact O-N 3.05Å; I300-L302 VanDerWaalsContact C-N 3.25Å; I300-L302 PolarHBondContact O-N 2.93Å; L302-H305 WeakPolarHBondContact O-CB 3.36Å; L302-H305 PolarHBondContact O-N 2.92Å; L302-I306 HydrophobicContact CD1-CD1 4.48Å; L302-I306 HydrophobicContact CG-CD1 4.25Å; L302-I306 WeakPolarHBondContact O-CG1 3.45Å; L302-I306 PolarHBondContact O-N 3.25Å |
| 303 | K | 94.6 | Very high | 88.3 | Confident | 58 Ų | 58 | 80.2 Ų | 80.2 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 173.8 | -159.3 | -156 | -177.1 | -52.3 | 0 | 111.7 | D158 A160 R299 I300 H305 I306 D307 | D158-K303 WeakPolarHBondContact O-CE 3.32Å; D158-K303 WeakPolarHBondContact O-CG 3.19Å; D158-K303 PolarHBondContact O-NZ 3.37Å; A160-K303 HydrophobicContact CB-CB 3.96Å; A160-K303 HydrophobicContact CB-CG 4.46Å; R299-K303 WeakPolarHBondContact O-CB 3.23Å; R299-K303 PolarHBondContact O-N 3.47Å; I300-K303 CarbonylContact O-C 3.58Å; I300-K303 PolarHBondContact O-N 2.8Å; I300-K303 VanDerWaalsContact O-N 3.07Å; K303-H305 PolarHBondContact O-N 3.19Å; K303-I306 WeakPolarHBondContact O-CB 3.35Å; K303-I306 PolarHBondContact O-N 3.16Å; K303-I306 VanDerWaalsContact O-N 3.12Å; K303-D307 IonicContact NZ-OD1 3.29Å; K303-D307 PolarHBondContact NZ-OD1 3.07Å; K303-D307 IonicContact NZ-OD2 3.74Å; K303-D307 PolarHBondContact NZ-OD2 3.33Å; K303-D307 WeakPolarHBondContact O-CB 3.43Å; K303-D307 VanDerWaalsContact O-CG 3.31Å; K303-D307 PolarHBondContact O-N 3.17Å |
| 304 | D | 93.9 | Very high | 87.8 | Confident | 75 Ų | 75 | 81.1 Ų | 81.1 | 40% | 0.401 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.4 | -25.4 | 177.2 | -64.1 | -21.7 | 0 | 0 | 0 | 112.3 | I300 R308 | I300-D304 WeakPolarHBondContact CG2-OD2 3.37Å; I300-D304 WeakPolarHBondContact O-CB 3.28Å; I300-D304 PolarHBondContact O-N 3.13Å; D304-R308 WeakPolarHBondContact O-CG 3.27Å; D304-R308 PolarHBondContact O-N 3.26Å; D304-R308 PolarHBondContact O-NE 3.21Å; D304-R308 PolarHBondContact O-NH2 3.01Å |
| 305 | H | 91.8 | Very high | 86.8 | Confident | 33 Ų | 33 | 79.4 Ų | 79.4 | 15% | 0.153 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -77.8 | -47.8 | 172.6 | -174.8 | 81.4 | 0 | 0 | 0 | 111.7 | W124 Q301 L302 K303 D307 R308 H309 | W124-H305 HydrophobicContact CH2-CB 3.65Å; W124-H305 AromaticContact CH2-CG 3.69Å; W124-H305 HydrophobicContact CZ2-CB 4.44Å; W124-H305 HydrophobicContact CZ3-CB 4.27Å; Q301-H305 WeakPolarHBondContact O-CB 3.43Å; Q301-H305 PolarHBondContact O-N 2.96Å; Q301-H305 VanDerWaalsContact O-N 3.12Å; L302-H305 WeakPolarHBondContact O-CB 3.36Å; L302-H305 PolarHBondContact O-N 2.92Å; K303-H305 PolarHBondContact O-N 3.19Å; H305-D307 PolarHBondContact O-N 3.06Å; H305-R308 PolarHBondContact O-N 3.31Å; H305-H309 PolarHBondContact O-N 3.49Å |
| 306 | I | 91.8 | Very high | 85.4 | Confident | 11 Ų | 11 | 80.2 Ų | 80.2 | 6% | 0.056 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.1 | -50.2 | 173.2 | -70.1 | 163.8 | 0 | 0 | 0 | 110.9 | A105 L156 A160 L302 K303 R308 H309 R310 | A105-I306 HydrophobicContact CB-CD1 4.03Å; A105-I306 HydrophobicContact CB-CG1 4.24Å; A105-I306 HydrophobicContact CB-CG2 3.49Å; A105-I306 VanDerWaalsContact CB-CG2 3.49Å; L156-I306 HydrophobicContact CB-CD1 4.46Å; L156-I306 HydrophobicContact CD1-CD1 4.4Å; A160-I306 HydrophobicContact CB-CD1 4.11Å; L302-I306 HydrophobicContact CD1-CD1 4.48Å; L302-I306 HydrophobicContact CG-CD1 4.25Å; L302-I306 WeakPolarHBondContact O-CG1 3.45Å; L302-I306 PolarHBondContact O-N 3.25Å; K303-I306 WeakPolarHBondContact O-CB 3.35Å; K303-I306 PolarHBondContact O-N 3.16Å; K303-I306 VanDerWaalsContact O-N 3.12Å; I306-R308 PolarHBondContact O-N 2.84Å; I306-H309 PolarHBondContact O-N 3.47Å; I306-R310 VanDerWaalsContact O-CB 3.3Å; I306-R310 WeakPolarHBondContact O-CB 3.45Å; I306-R310 PolarHBondContact O-N 3.41Å |
| 307 | D | 92 | Very high | 83.8 | Confident | 47 Ų | 47 | 74.9 Ų | 74.9 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.3 | -20 | -179.5 | -71.3 | -10.1 | 0 | 0 | 0 | 113.5 | K303 H305 R311 | K303-D307 IonicContact NZ-OD1 3.29Å; K303-D307 PolarHBondContact NZ-OD1 3.07Å; K303-D307 IonicContact NZ-OD2 3.74Å; K303-D307 PolarHBondContact NZ-OD2 3.33Å; K303-D307 WeakPolarHBondContact O-CB 3.43Å; K303-D307 VanDerWaalsContact O-CG 3.31Å; K303-D307 PolarHBondContact O-N 3.17Å; H305-D307 PolarHBondContact O-N 3.06Å; D307-R311 PolarHBondContact O-NE 3.06Å; D307-R311 PolarHBondContact O-NH2 3.33Å |
| 308 | R | 89 | Confident | 81.7 | Confident | 128 Ų | 128 | 75.3 Ų | 75.3 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -84.5 | -52.2 | 170.7 | -82 | 177.9 | -69.1 | 158.1 | -0.8 | 110.9 | D304 H305 I306 R310 R311 N312 | D304-R308 WeakPolarHBondContact O-CG 3.27Å; D304-R308 PolarHBondContact O-N 3.26Å; D304-R308 PolarHBondContact O-NE 3.21Å; D304-R308 PolarHBondContact O-NH2 3.01Å; H305-R308 PolarHBondContact O-N 3.31Å; I306-R308 PolarHBondContact O-N 2.84Å; R308-R310 VanDerWaalsContact C-N 3.3Å; R308-R310 PolarHBondContact O-N 3.07Å; R308-R311 PolarHBondContact O-N 2.83Å; R308-N312 PolarHBondContact O-N 2.84Å; R308-N312 PolarHBondContact O-OD1 3.37Å |
| 309 | H | 83.9 | Confident | 79.6 | Confident | 69 Ų | 69 | 81 Ų | 81 | 32% | 0.319 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.8 | -40.8 | -179 | -175.7 | -104.8 | 0 | 0 | 0 | 112.2 | S114 H305 I306 R311 N312 R313 | S114-H309 WeakPolarHBondContact CB-CD2 3.2Å; S114-H309 VanDerWaalsContact CB-NE2 3.26Å; S114-H309 WeakPolarHBondContact CB-NE2 3.49Å; H305-H309 PolarHBondContact O-N 3.49Å; I306-H309 PolarHBondContact O-N 3.47Å; H309-R311 VanDerWaalsContact C-N 3.33Å; H309-R311 PolarHBondContact O-N 2.77Å; H309-N312 PolarHBondContact O-N 3.09Å; H309-R313 WeakPolarHBondContact O-CB 3.22Å; H309-R313 PolarHBondContact O-N 3Å |
| 310 | R | 84.2 | Confident | 77.4 | Confident | 109 Ų | 109 | 84 Ų | 84 | 41% | 0.411 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 174.2 | 175.9 | 172.4 | 160.6 | 172.5 | -6.7 | 112.6 | D158 I306 R308 Q314 | D158-R310 IonicContact OD1-NH1 3.3Å; D158-R310 PolarHBondContact OD1-NH1 3.32Å; D158-R310 IonicContact OD2-CZ 2.62Å; D158-R310 IonicContact OD2-NH1 2.71Å; D158-R310 PolarHBondContact OD2-NH1 2.82Å; I306-R310 VanDerWaalsContact O-CB 3.3Å; I306-R310 WeakPolarHBondContact O-CB 3.45Å; I306-R310 PolarHBondContact O-N 3.41Å; R308-R310 VanDerWaalsContact C-N 3.3Å; R308-R310 PolarHBondContact O-N 3.07Å; R310-Q314 WeakPolarHBondContact O-CB 3.13Å; R310-Q314 VanDerWaalsContact O-CG 3.29Å; R310-Q314 WeakPolarHBondContact O-CG 3.28Å; R310-Q314 PolarHBondContact O-N 2.95Å |
| 311 | R | 81.9 | Confident | 75.3 | Confident | 150 Ų | 150 | 85.3 Ų | 85.3 | 57% | 0.566 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -67.7 | -47.6 | 175.8 | -83.1 | -179.1 | -70.8 | 150.7 | -5.5 | 111.8 | D307 R308 H309 R313 Q314 T315 | D307-R311 PolarHBondContact O-NE 3.06Å; D307-R311 PolarHBondContact O-NH2 3.33Å; R308-R311 PolarHBondContact O-N 2.83Å; H309-R311 VanDerWaalsContact C-N 3.33Å; H309-R311 PolarHBondContact O-N 2.77Å; R311-R313 VanDerWaalsContact C-N 3.3Å; R311-R313 PolarHBondContact O-N 2.85Å; R311-Q314 PolarHBondContact O-N 2.89Å; R311-T315 PolarHBondContact O-N 3.24Å; R311-T315 PolarHBondContact O-OG1 3.45Å |
| 312 | N | 76.6 | Confident | 72.9 | Confident | 93 Ų | 93 | 89.9 Ų | 89.9 | 50% | 0.497 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -54.1 | -47.8 | 174.5 | -80.6 | 57.9 | 0 | 0 | 0 | 111.4 | R308 H309 Q314 T315 E316 | R308-N312 PolarHBondContact O-N 2.84Å; R308-N312 PolarHBondContact O-OD1 3.37Å; H309-N312 PolarHBondContact O-N 3.09Å; N312-Q314 PolarHBondContact O-N 3.2Å; N312-T315 CarbonylContact O-C 3.58Å; N312-T315 WeakPolarHBondContact O-CA 3.5Å; N312-T315 WeakPolarHBondContact O-CB 2.89Å; N312-T315 PolarHBondContact O-N 3.06Å; N312-E316 WeakPolarHBondContact O-CG 3.42Å; N312-E316 PolarHBondContact O-N 2.9Å |
| 313 | R | 72 | Confident | 70.6 | Confident | 135 Ų | 135 | 97.2 Ų | 97.2 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 178.6 | -159.9 | -170.1 | -174.4 | 149.6 | 12.5 | 112.5 | H309 R311 T315 E316 E317 | H309-R313 WeakPolarHBondContact O-CB 3.22Å; H309-R313 PolarHBondContact O-N 3Å; R311-R313 VanDerWaalsContact C-N 3.3Å; R311-R313 PolarHBondContact O-N 2.85Å; R313-T315 VanDerWaalsContact C-N 3.29Å; R313-T315 PolarHBondContact O-N 3.49Å; R313-E316 PolarHBondContact O-N 2.84Å; R313-E317 WeakPolarHBondContact CD-OE1 3.28Å; R313-E317 WeakPolarHBondContact CG-OE1 3.42Å; R313-E317 IonicContact NE-OE1 3.61Å; R313-E317 PolarHBondContact NE-OE1 3.39Å; R313-E317 VanDerWaalsContact NE-OE1 3.08Å; R313-E317 VanDerWaalsContact O-CB 3.31Å; R313-E317 WeakPolarHBondContact O-CB 3.38Å; R313-E317 VanDerWaalsContact O-CG 3.24Å; R313-E317 WeakPolarHBondContact O-CG 3.43Å; R313-E317 PolarHBondContact O-N 2.83Å |
| 314 | Q | 68.7 | Low | 67.9 | Low | 107 Ų | 107 | 101.7 Ų | 101.7 | 50% | 0.5 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.5 | -31.1 | 173.8 | -72.3 | -175.6 | -69.4 | 0 | 0 | 112.6 | R310 R311 N312 H318 | R310-Q314 WeakPolarHBondContact O-CB 3.13Å; R310-Q314 VanDerWaalsContact O-CG 3.29Å; R310-Q314 WeakPolarHBondContact O-CG 3.28Å; R310-Q314 PolarHBondContact O-N 2.95Å; R311-Q314 PolarHBondContact O-N 2.89Å; N312-Q314 PolarHBondContact O-N 3.2Å; Q314-H318 WeakPolarHBondContact O-CB 3.1Å; Q314-H318 PolarHBondContact O-N 2.8Å; Q314-H318 VanDerWaalsContact O-N 3.11Å |
| 315 | T | 63.6 | Low | 65.4 | Low | 87 Ų | 87 | 104.1 Ų | 104.1 | 53% | 0.534 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.6 | -51.2 | 170.5 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | R311 N312 R313 E317 H318 E319 | R311-T315 PolarHBondContact O-N 3.24Å; R311-T315 PolarHBondContact O-OG1 3.45Å; N312-T315 CarbonylContact O-C 3.58Å; N312-T315 WeakPolarHBondContact O-CA 3.5Å; N312-T315 WeakPolarHBondContact O-CB 2.89Å; N312-T315 PolarHBondContact O-N 3.06Å; R313-T315 VanDerWaalsContact C-N 3.29Å; R313-T315 PolarHBondContact O-N 3.49Å; T315-E317 VanDerWaalsContact C-N 3.26Å; T315-E317 PolarHBondContact O-N 2.99Å; T315-H318 PolarHBondContact O-N 2.78Å; T315-E319 WeakPolarHBondContact O-CB 3.16Å; T315-E319 PolarHBondContact O-N 3.49Å |
| 316 | E | 58.7 | Low | 62.8 | Low | 90 Ų | 90 | 105.7 Ų | 105.7 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59 | -33.6 | 177.8 | -69.4 | 167.9 | -148 | 0 | 0 | 112.9 | N312 R313 K320 | N312-E316 WeakPolarHBondContact O-CG 3.42Å; N312-E316 PolarHBondContact O-N 2.9Å; R313-E316 PolarHBondContact O-N 2.84Å; E316-K320 WeakPolarHBondContact O-CB 3.35Å; E316-K320 WeakPolarHBondContact O-CD 3.46Å; E316-K320 VanDerWaalsContact O-CG 3.28Å; E316-K320 WeakPolarHBondContact O-CG 3.32Å; E316-K320 PolarHBondContact O-N 3.33Å |
| 317 | E | 56.2 | Low | 60.2 | Low | 96 Ų | 96 | 109.2 Ų | 109.2 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.9 | -38.9 | 174.6 | -74.8 | 162.3 | -176.2 | 0 | 0 | 111.6 | R313 T315 I321 | R313-E317 WeakPolarHBondContact CD-OE1 3.28Å; R313-E317 WeakPolarHBondContact CG-OE1 3.42Å; R313-E317 IonicContact NE-OE1 3.61Å; R313-E317 PolarHBondContact NE-OE1 3.39Å; R313-E317 VanDerWaalsContact NE-OE1 3.08Å; R313-E317 VanDerWaalsContact O-CB 3.31Å; R313-E317 WeakPolarHBondContact O-CB 3.38Å; R313-E317 VanDerWaalsContact O-CG 3.24Å; R313-E317 WeakPolarHBondContact O-CG 3.43Å; R313-E317 PolarHBondContact O-N 2.83Å; T315-E317 VanDerWaalsContact C-N 3.26Å; T315-E317 PolarHBondContact O-N 2.99Å; E317-I321 WeakPolarHBondContact O-CD1 3.21Å; E317-I321 WeakPolarHBondContact O-CG1 3.36Å; E317-I321 PolarHBondContact O-N 3.22Å |
| 318 | H | 48.8 | Very low | 57.7 | Low | 106 Ų | 106 | 112 Ų | 112 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -76 | -30.9 | 177.6 | -145.5 | -47.7 | 0 | 0 | 0 | 113.1 | Q314 T315 I321 Y322 | Q314-H318 WeakPolarHBondContact O-CB 3.1Å; Q314-H318 PolarHBondContact O-N 2.8Å; Q314-H318 VanDerWaalsContact O-N 3.11Å; T315-H318 PolarHBondContact O-N 2.78Å; H318-I321 PolarHBondContact O-N 3.11Å; H318-Y322 AromaticContact CE1-CE2 3.66Å; H318-Y322 AromaticContact ND1-CD2 3.8Å; H318-Y322 AromaticContact ND1-CE2 3.45Å; H318-Y322 WeakPolarHBondContact ND1-CE2 3.35Å; H318-Y322 WeakPolarHBondContact O-CD2 3.46Å; H318-Y322 PolarHBondContact O-N 3.4Å |
| 319 | E | 49.1 | Very low | 55.1 | Low | 125 Ų | 125 | 114.6 Ų | 114.6 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70 | -40.9 | 176.1 | -167.1 | 162.6 | -136 | 0 | 0 | 110.2 | T315 I321 Y322 E323 | T315-E319 WeakPolarHBondContact O-CB 3.16Å; T315-E319 PolarHBondContact O-N 3.49Å; E319-I321 PolarHBondContact O-N 2.74Å; E319-Y322 CarbonylContact O-C 3.55Å; E319-Y322 PolarHBondContact O-N 2.97Å; E319-E323 WeakPolarHBondContact O-CB 3.48Å; E319-E323 PolarHBondContact O-N 2.9Å |
| 320 | K | 47.2 | Very low | 52.8 | Low | 133 Ų | 133 | 120.3 Ų | 120.3 | 58% | 0.578 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.5 | -25.7 | 172.6 | -76.7 | 172.4 | -178.7 | 169.5 | 0 | 115.2 | E316 Y324 | E316-K320 WeakPolarHBondContact O-CB 3.35Å; E316-K320 WeakPolarHBondContact O-CD 3.46Å; E316-K320 VanDerWaalsContact O-CG 3.28Å; E316-K320 WeakPolarHBondContact O-CG 3.32Å; E316-K320 PolarHBondContact O-N 3.33Å; K320-Y324 PolarHBondContact O-N 3.29Å |
| 321 | I | 50.2 | Low | 50.5 | Low | 87 Ų | 87 | 124.4 Ų | 124.4 | 45% | 0.446 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67 | -46.3 | 170.1 | -71.9 | 164.2 | 0 | 0 | 0 | 108.9 | E317 H318 E319 E323 Y324 E325 | E317-I321 WeakPolarHBondContact O-CD1 3.21Å; E317-I321 WeakPolarHBondContact O-CG1 3.36Å; E317-I321 PolarHBondContact O-N 3.22Å; H318-I321 PolarHBondContact O-N 3.11Å; E319-I321 PolarHBondContact O-N 2.74Å; I321-E323 VanDerWaalsContact C-N 3.34Å; I321-E323 PolarHBondContact O-N 3.1Å; I321-Y324 PolarHBondContact O-N 2.93Å; I321-E325 HydrophobicContact CG2-CG 4.47Å; I321-E325 WeakPolarHBondContact O-CG 3.42Å; I321-E325 PolarHBondContact O-N 3.47Å |
| 322 | Y | 42.4 | Very low | 48.2 | Very low | 149 Ų | 149 | 125.6 Ų | 125.6 | 58% | 0.584 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69 | -26 | 175.1 | -77.1 | -56.4 | 0 | 0 | 0 | 114.7 | H318 E319 Y324 | H318-Y322 AromaticContact CE1-CE2 3.66Å; H318-Y322 AromaticContact ND1-CD2 3.8Å; H318-Y322 AromaticContact ND1-CE2 3.45Å; H318-Y322 WeakPolarHBondContact ND1-CE2 3.35Å; H318-Y322 WeakPolarHBondContact O-CD2 3.46Å; H318-Y322 PolarHBondContact O-N 3.4Å; E319-Y322 CarbonylContact O-C 3.55Å; E319-Y322 PolarHBondContact O-N 2.97Å; Y322-Y324 VanDerWaalsContact C-N 3.29Å |
| 323 | E | 46.1 | Very low | 46.1 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 72% | 0.715 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.5 | -14.5 | 174.6 | -158.2 | 169.6 | -136.6 | 0 | 0 | 112.6 | E319 I321 | E319-E323 WeakPolarHBondContact O-CB 3.48Å; E319-E323 PolarHBondContact O-N 2.9Å; I321-E323 VanDerWaalsContact C-N 3.34Å; I321-E323 PolarHBondContact O-N 3.1Å |
| 324 | Y | 38.3 | Very low | 44.3 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 60% | 0.596 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -98.2 | -36 | 170.8 | -169.8 | -84 | 0 | 0 | 0 | 112.5 | K320 I321 Y322 G326 D328 | K320-Y324 PolarHBondContact O-N 3.29Å; I321-Y324 PolarHBondContact O-N 2.93Å; Y322-Y324 VanDerWaalsContact C-N 3.29Å; Y324-G326 PolarHBondContact O-N 3.12Å; Y324-D328 WeakPolarHBondContact CE1-OD2 3.13Å; Y324-D328 VanDerWaalsContact CZ-OD2 3.31Å; Y324-D328 PolarHBondContact OH-OD2 2.73Å |
| 325 | E | 41.4 | Very low | 42.8 | Very low | 127 Ų | 127 | 131 Ų | 131 | 59% | 0.593 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 12.6 | 169.1 | -67.7 | 178.7 | 169 | 0 | 0 | 113.2 | I321 | I321-E325 HydrophobicContact CG2-CG 4.47Å; I321-E325 WeakPolarHBondContact O-CG 3.42Å; I321-E325 PolarHBondContact O-N 3.47Å |
| 326 | G | 37.6 | Very low | 41.5 | Very low | 66 Ų | 66 | 129.8 Ų | 129.8 | 68% | 0.68 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 5 | -177 | 0 | 0 | 0 | 0 | 0 | 116 | Y324 | Y324-G326 PolarHBondContact O-N 3.12Š|
| 327 | S | 36.9 | Very low | 40.5 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 59% | 0.587 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -133.4 | -4.4 | -179.8 | 64.1 | 0 | 0 | 0 | 0 | 116.5 | ||
| 328 | D | 39.4 | Very low | 39.6 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 56% | 0.561 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -108.2 | 14.4 | -179.6 | -70.1 | -12.3 | 0 | 0 | 0 | 112.9 | Y324 | Y324-D328 WeakPolarHBondContact CE1-OD2 3.13Å; Y324-D328 VanDerWaalsContact CZ-OD2 3.31Å; Y324-D328 PolarHBondContact OH-OD2 2.73Å |
| 329 | E | 34.4 | Very low | 39.2 | Very low | 183 Ų | 183 | 125.9 Ų | 125.9 | 86% | 0.855 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -118.6 | 27.1 | 177.9 | -70.2 | -159.2 | 164.4 | 0 | 0 | 114.9 | ||
| 330 | E | 35.3 | Very low | 38.5 | Very low | 190 Ų | 190 | 126.9 Ų | 126.9 | 89% | 0.888 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -121.9 | 16.6 | 168.7 | -79.2 | -163.5 | 167.3 | 0 | 0 | 114.8 | ||
| 331 | E | 35.8 | Very low | 37.9 | Very low | 194 Ų | 194 | 122.6 Ų | 122.6 | 91% | 0.907 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -143.3 | 23.2 | 175.5 | -138.8 | 170 | -130.6 | 0 | 0 | 117.8 | ||
| 332 | E | 34.1 | Very low | 37.3 | Very low | 175 Ų | 175 | 121.4 Ų | 121.4 | 82% | 0.818 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -134.6 | 4.2 | 169.5 | -134.7 | -177.1 | -143.9 | 0 | 0 | 117.4 | ||
| 333 | E | 32.8 | Very low | 36.9 | Very low | 152 Ų | 152 | 117 Ų | 117 | 71% | 0.71 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -83.5 | -9.6 | 176.2 | -137.6 | -164.4 | 165.6 | 0 | 0 | 114.9 | T335 A337 | E333-T335 VanDerWaalsContact C-N 3.33Å; E333-T335 PolarHBondContact O-N 2.78Å; E333-A337 HydrophobicContact CG-CB 4.31Å; E333-A337 WeakPolarHBondContact O-CB 3.33Å; E333-A337 PolarHBondContact O-N 3.09Å |
| 334 | E | 33.1 | Very low | 36.3 | Very low | 182 Ų | 182 | 112.8 Ų | 112.8 | 85% | 0.85 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -10.5 | -170.5 | -153.5 | 169.5 | -144 | 0 | 0 | 114.9 | ||
| 335 | T | 37.2 | Very low | 36.3 | Very low | 116 Ų | 116 | 108.3 Ų | 108.3 | 71% | 0.712 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -19.9 | 177.9 | 64.4 | 0 | 0 | 0 | 0 | 115.1 | E333 | E333-T335 VanDerWaalsContact C-N 3.33Å; E333-T335 PolarHBondContact O-N 2.78Å |
| 336 | S | 36.3 | Very low | 36.1 | Very low | 60 Ų | 60 | 105.3 Ų | 105.3 | 42% | 0.42 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.7 | -23 | -176.3 | 113 | 0 | 0 | 0 | 0 | 114.7 | ||
| 337 | A | 37.6 | Very low | 36 | Very low | 40 Ų | 40 | 108.5 Ų | 108.5 | 33% | 0.331 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -75 | -42.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E333 V339 K340 G341 | E333-A337 HydrophobicContact CG-CB 4.31Å; E333-A337 WeakPolarHBondContact O-CB 3.33Å; E333-A337 PolarHBondContact O-N 3.09Å; A337-V339 VanDerWaalsContact C-N 3.29Å; A337-V339 PolarHBondContact O-N 3.11Å; A337-K340 PolarHBondContact O-N 3.08Å; A337-G341 PolarHBondContact O-N 2.75Å |
| 338 | A | 38.3 | Very low | 36.1 | Very low | 60 Ų | 60 | 108.2 Ų | 108.2 | 50% | 0.496 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -53.7 | -41.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K340 A342 | A338-K340 VanDerWaalsContact C-N 3.31Å; A338-K340 PolarHBondContact O-N 2.65Å; A338-A342 VanDerWaalsContact O-CB 3.3Å; A338-A342 WeakPolarHBondContact O-CB 3.43Å; A338-A342 PolarHBondContact O-N 2.93Å |
| 339 | V | 40.3 | Very low | 36 | Very low | 110 Ų | 110 | 111.4 Ų | 111.4 | 67% | 0.667 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.7 | -24.3 | -179.5 | -175.9 | 0 | 0 | 0 | 0 | 112.7 | A337 | A337-V339 VanDerWaalsContact C-N 3.29Å; A337-V339 PolarHBondContact O-N 3.11Å |
| 340 | K | 33.9 | Very low | 36 | Very low | 147 Ų | 147 | 107.5 Ų | 107.5 | 64% | 0.639 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -92.1 | -34 | 176.7 | -66.1 | 166.6 | -168 | 141.3 | 0 | 112 | A337 A338 A344 | A337-K340 PolarHBondContact O-N 3.08Å; A338-K340 VanDerWaalsContact C-N 3.31Å; A338-K340 PolarHBondContact O-N 2.65Å; K340-A344 PolarHBondContact O-N 3.49Å |
| 341 | G | 34.7 | Very low | 35.8 | Very low | 43 Ų | 43 | 102.7 Ų | 102.7 | 44% | 0.443 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.4 | -45.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A337 A343 A344 A345 | A337-G341 PolarHBondContact O-N 2.75Å; G341-A343 VanDerWaalsContact C-N 3.29Å; G341-A343 PolarHBondContact O-N 3.44Å; G341-A344 PolarHBondContact O-N 2.91Å; G341-A344 VanDerWaalsContact O-N 3.1Å; G341-A345 PolarHBondContact O-N 3.29Å |
| 342 | A | 37.9 | Very low | 35.5 | Very low | 61 Ų | 61 | 97.6 Ų | 97.6 | 50% | 0.504 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -59.2 | -38.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A338 A344 A345 A346 | A338-A342 VanDerWaalsContact O-CB 3.3Å; A338-A342 WeakPolarHBondContact O-CB 3.43Å; A338-A342 PolarHBondContact O-N 2.93Å; A342-A344 VanDerWaalsContact C-N 3.34Å; A342-A344 PolarHBondContact O-N 3.17Å; A342-A345 PolarHBondContact O-N 2.77Å; A342-A346 VanDerWaalsContact O-CB 3.3Å; A342-A346 WeakPolarHBondContact O-CB 3.49Å; A342-A346 PolarHBondContact O-N 2.82Å |
| 343 | A | 33.1 | Very low | 35.5 | Very low | 57 Ų | 57 | 95.9 Ų | 95.9 | 47% | 0.471 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66 | -33.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G341 L347 | G341-A343 VanDerWaalsContact C-N 3.29Å; G341-A343 PolarHBondContact O-N 3.44Å; A343-L347 PolarHBondContact O-N 2.96Å |
| 344 | A | 34.7 | Very low | 35.6 | Very low | 65 Ų | 65 | 94.6 Ų | 94.6 | 54% | 0.537 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -74.9 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K340 G341 A342 L347 A348 | K340-A344 PolarHBondContact O-N 3.49Å; G341-A344 PolarHBondContact O-N 2.91Å; G341-A344 VanDerWaalsContact O-N 3.1Å; A342-A344 VanDerWaalsContact C-N 3.34Å; A342-A344 PolarHBondContact O-N 3.17Å; A344-L347 PolarHBondContact O-N 2.86Å; A344-A348 PolarHBondContact O-N 2.78Å |
| 345 | A | 36.5 | Very low | 35.5 | Very low | 58 Ų | 58 | 89.6 Ų | 89.6 | 48% | 0.479 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.3 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G341 A342 L347 A348 M349 | G341-A345 PolarHBondContact O-N 3.29Å; A342-A345 PolarHBondContact O-N 2.77Å; A345-L347 VanDerWaalsContact C-N 3.32Å; A345-L347 PolarHBondContact O-N 2.91Å; A345-A348 PolarHBondContact O-N 3.43Å; A345-M349 PolarHBondContact O-N 2.93Å |
| 346 | A | 37.9 | Very low | 35.3 | Very low | 64 Ų | 64 | 92.6 Ų | 92.6 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.5 | -31.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A342 | A342-A346 VanDerWaalsContact O-CB 3.3Å; A342-A346 WeakPolarHBondContact O-CB 3.49Å; A342-A346 PolarHBondContact O-N 2.82Å |
| 347 | L | 36.2 | Very low | 35.1 | Very low | 133 Ų | 133 | 92.9 Ų | 92.9 | 70% | 0.696 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.4 | -41.4 | 171.6 | -108.4 | 72.7 | 0 | 0 | 0 | 112.1 | A343 A344 A345 M349 S350 | A343-L347 PolarHBondContact O-N 2.96Å; A344-L347 PolarHBondContact O-N 2.86Å; A345-L347 VanDerWaalsContact C-N 3.32Å; A345-L347 PolarHBondContact O-N 2.91Å; L347-M349 VanDerWaalsContact C-N 3.31Å; L347-M349 PolarHBondContact O-N 2.92Å; L347-S350 PolarHBondContact O-N 3.3Å |
| 348 | A | 39.4 | Very low | 34.9 | Very low | 77 Ų | 77 | 100.3 Ų | 100.3 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -63.9 | -33.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A344 A345 | A344-A348 PolarHBondContact O-N 2.78Å; A345-A348 PolarHBondContact O-N 3.43Å |
| 349 | M | 36 | Very low | 34.7 | Very low | 172 Ų | 172 | 101.1 Ų | 101.1 | 85% | 0.847 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -12.5 | 177.2 | -78.2 | -72.7 | -156.1 | 0 | 0 | 114.7 | A345 L347 | A345-M349 PolarHBondContact O-N 2.93Å; L347-M349 VanDerWaalsContact C-N 3.31Å; L347-M349 PolarHBondContact O-N 2.92Å |
| 350 | S | 34.4 | Very low | 34.4 | Very low | 101 Ų | 101 | 103.6 Ų | 103.6 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -3.4 | -172.4 | -150.3 | 0 | 0 | 0 | 0 | 114 | L347 A352 | L347-S350 PolarHBondContact O-N 3.3Å; S350-A352 VanDerWaalsContact C-N 3.33Å; S350-A352 PolarHBondContact O-N 3.08Å |
| 351 | A | 31.8 | Very low | 34.4 | Very low | 89 Ų | 89 | 106.5 Ų | 106.5 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -93.1 | 32.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 352 | A | 29.8 | Very low | 34.2 | Very low | 87 Ų | 87 | 111 Ų | 111 | 72% | 0.719 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -135.2 | 22.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S350 | S350-A352 VanDerWaalsContact C-N 3.33Å; S350-A352 PolarHBondContact O-N 3.08Å |
| 353 | V | 33.2 | Very low | 34.3 | Very low | 140 Ų | 140 | 111.8 Ų | 111.8 | 85% | 0.848 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -153.4 | 150.2 | 159.9 | 132.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 354 | S | 34.8 | Very low | 34.3 | Very low | 125 Ų | 125 | 112.4 Ų | 112.4 | 87% | 0.874 | 70% | 0.702 | S | S | * | * | trans | -92.7 | 147.1 | -167.9 | -45.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 355 | G | 31.1 | Very low | 34.3 | Very low | 76 Ų | 76 | 116.1 Ų | 116.1 | 78% | 0.784 | 71% | 0.708 | S | S | * | * | trans | 175.2 | 132.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 356 | N | 33.3 | Very low | 34.1 | Very low | 180 Ų | 180 | 120.5 Ų | 120.5 | 96% | 0.963 | 72% | 0.722 | S | S | * | * | trans | -71.2 | 164.3 | 175.6 | -51.3 | -30.8 | 0 | 0 | 0 | 112.2 | ||||
| 357 | G | 31.7 | Very low | 33.7 | Very low | 66 Ų | 66 | 121.4 Ų | 121.4 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | cis | 155.8 | 161.3 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 358 | Q | 34.5 | Very low | 33.4 | Very low | 195 Ų | 195 | 123.1 Ų | 123.1 | 91% | 0.911 | 73% | 0.728 | S | S | * | * | trans | 71.7 | 151.6 | 173.3 | -49.5 | -174.8 | 4.8 | 0 | 0 | 116.9 | ||||
| 359 | S | 33.4 | Very low | 32.8 | Very low | 78 Ų | 78 | 126.7 Ų | 126.7 | 55% | 0.545 | 73% | 0.731 | S | S | . | * | cis | -165.4 | 154.3 | -8.3 | -129 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 360 | H | 34.9 | Very low | 32.9 | Very low | 161 Ų | 161 | 124.3 Ų | 124.3 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | trans | 64.7 | 157.8 | 153.5 | -53.4 | -34.9 | 0 | 0 | 0 | 121.1 | ||||
| 361 | R | 32.7 | Very low | 32.8 | Very low | 208 Ų | 208 | 125.1 Ų | 125.1 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | cis | -167 | 129.1 | -21.9 | -105.1 | -170.1 | 171.5 | -172.7 | -1.2 | 108.7 | ||||
| 362 | L | 30 | Very low | 32.7 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | 96.9 | 155.8 | 86.1 | -75.2 | -172.5 | 0 | 0 | 0 | 117.5 | |||||
| 363 | P | 41.6 | Very low | 32.6 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 49% | 0.494 | 74% | 0.735 | S | S | . | * | trans | -143.3 | -151.9 | -134.2 | 47.1 | -26.9 | 0 | 0 | 0 | 118.2 | ||||
| 364 | S | 33.3 | Very low | 32.2 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 50% | 0.497 | 73% | 0.729 | S | S | . | * | trans | 75.8 | 161.5 | 164.4 | 24.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 365 | Q | 34.4 | Very low | 31.8 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | cis | 178.7 | 179.6 | -36.9 | -101.9 | 160.1 | -92.6 | 0 | 0 | 108.4 | ||||
| 366 | I | 32.4 | Very low | 32.1 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | cis | -141 | -83.7 | 13.7 | -165.6 | 170 | 0 | 0 | 0 | 116.9 | ||||
| 367 | S | 28.3 | Very low | 32.2 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 58% | 0.58 | 71% | 0.711 | S | S | * | * | trans | -163.3 | 150.8 | -161.9 | 61.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 368 | H | 30.6 | Very low | 32.1 | Very low | 169 Ų | 169 | 141 Ų | 141 | 78% | 0.782 | 72% | 0.716 | S | S | * | * | trans | -178.1 | -175.5 | 138.9 | -102.1 | -70.7 | 0 | 0 | 0 | 112.8 | ||||
| 369 | H | 25.7 | Very low | 31.9 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 70% | 0.704 | 71% | 0.705 | S | S | * | * | trans | -139.6 | 172.7 | -163.4 | 40.2 | -121.9 | 0 | 0 | 0 | 112.4 | ||||
| 370 | P | 38.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | cis | -106.9 | -103.2 | -7.3 | 26.7 | -3.6 | 0 | 0 | 0 | 112.7 | ||||
| 371 | P | 33.4 | Very low | 31.5 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | cis | -126.4 | -143.9 | 1.7 | 44.3 | -24.7 | 0 | 0 | 0 | 114.6 | ||||
| 372 | Q | 28.3 | Very low | 31.5 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | trans | -145.7 | 148.7 | 173.7 | -66.6 | 179.1 | -10.1 | 0 | 0 | 112.1 | ||||
| 373 | F | 27.9 | Very low | 31.6 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | 171.6 | 145 | 125 | -114.7 | -110.6 | 0 | 0 | 0 | 115.2 | |||||
| 374 | R | 25.3 | Very low | 30.8 | Very low | 193 Ų | 193 | 142.9 Ų | 142.9 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | trans | 28.4 | 122.6 | 152.5 | -76 | -172.6 | -176.9 | 164.5 | 1.3 | 121.5 | ||||
| 375 | Q | 27 | Very low | 30.7 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | 71.2 | 155.8 | 82.4 | -75.7 | -179 | -23.8 | 0 | 0 | 115.3 | |||||
| 376 | P | 36.3 | Very low | 30.4 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | cis | -127.3 | -170.7 | -10 | 38.1 | -19.8 | 0 | 0 | 0 | 113.2 | ||||
| 377 | I | 34.8 | Very low | 30.2 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | 172.4 | 109.4 | 127 | -85.8 | 157.6 | 0 | 0 | 0 | 110.7 | |||||
| 378 | D | 30.5 | Very low | 30.2 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | trans | 31.6 | 143.3 | 142.4 | -49.4 | -39.9 | 0 | 0 | 0 | 125.4 | ||||
| 379 | K | 30.1 | Very low | 30 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 68% | 0.683 | 73% | 0.732 | S | S | * | * | trans | -78.3 | 176.1 | 162.5 | -55.5 | 171.3 | 175.9 | 173.8 | 0 | 111.1 | H381 | K379-H381 VanDerWaalsContact CD-NE2 3.34Å; K379-H381 WeakPolarHBondContact CD-NE2 3.11Å; K379-H381 PolarHBondContact NZ-NE2 3.29Å | ||
| 380 | P | 33.3 | Very low | 30.2 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 89% | 0.89 | 74% | 0.735 | S | S | * | * | -122.6 | 157 | 118.8 | 35.2 | -32.8 | 0 | 0 | 0 | 114.1 | |||||
| 381 | H | 27.3 | Very low | 29.8 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 65% | 0.653 | 72% | 0.718 | S | S | * | * | trans | -112.1 | 135.6 | 174.5 | -80.2 | -102.7 | 0 | 0 | 0 | 110.3 | K379 | K379-H381 VanDerWaalsContact CD-NE2 3.34Å; K379-H381 WeakPolarHBondContact CD-NE2 3.11Å; K379-H381 PolarHBondContact NZ-NE2 3.29Å | ||
| 382 | H | 32.9 | Very low | 29.9 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 80% | 0.801 | 71% | 0.711 | S | S | * | * | trans | 178.4 | 151.4 | 151 | -106 | 39.9 | 0 | 0 | 0 | 110 | ||||
| 383 | N | 30.7 | Very low | 30.1 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | cis | -154.6 | 176 | -21.1 | -141.2 | 9.2 | 0 | 0 | 0 | 113.2 | ||||
| 384 | Q | 26.4 | Very low | 30.2 | Very low | 172 Ų | 172 | 126 Ų | 126 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | trans | -72.8 | 146.1 | -174.9 | -53.7 | 152.3 | -16.4 | 0 | 0 | 115.6 | ||||
| 385 | A | 30.9 | Very low | 30.5 | Very low | 86 Ų | 86 | 122.9 Ų | 122.9 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | trans | -166.1 | 144.3 | 141.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 386 | L | 28 | Very low | 30.6 | Very low | 127 Ų | 127 | 123 Ų | 123 | 67% | 0.665 | 68% | 0.675 | S | S | * | * | 54.7 | 130.2 | 57.7 | -78.5 | 74.6 | 0 | 0 | 0 | 111.2 | |||||
| 387 | R | 26.8 | Very low | 30.4 | Very low | 155 Ų | 155 | 123.2 Ų | 123.2 | 59% | 0.585 | 67% | 0.674 | S | S | * | * | cis | -169.8 | 174.8 | 22.9 | -134 | -175 | -166.1 | 171.9 | 1 | 109 | ||||
| 388 | T | 28.4 | Very low | 30.1 | Very low | 100 Ų | 100 | 120 Ų | 120 | 61% | 0.613 | 67% | 0.67 | S | S | * | * | trans | 37.2 | 114.3 | 150.4 | 52.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 389 | S | 26.8 | Very low | 30.1 | Very low | 117 Ų | 117 | 117 Ų | 117 | 82% | 0.818 | 66% | 0.66 | S | S | * | * | 48.1 | 100.8 | 84.4 | 76.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 390 | G | 29.4 | Very low | 30.1 | Very low | 75 Ų | 75 | 118.4 Ų | 118.4 | 77% | 0.773 | 67% | 0.667 | S | S | * | * | trans | 134.8 | 95.2 | 172 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 391 | V | 30.7 | Very low | 29.9 | Very low | 71 Ų | 71 | 117.7 Ų | 117.7 | 43% | 0.43 | 66% | 0.659 | S | S | . | * | trans | -57.2 | 156.5 | 132.8 | -99.4 | 0 | 0 | 0 | 0 | 108.5 | D1185 E1186 | V391-D1185 HydrophobicContact CB-CB 3.74Å; V391-D1185 WeakPolarHBondContact CB-OD2 3.4Å; V391-D1185 HydrophobicContact CG1-CB 4.24Å; V391-D1185 VanDerWaalsContact CG1-OD2 3.32Å; V391-D1185 WeakPolarHBondContact CG1-OD2 3.36Å; V391-D1185 HydrophobicContact CG2-CB 3.71Å; V391-E1186 HydrophobicContact CG2-CB 4.46Å | ||
| 392 | P | 35.8 | Very low | 30.1 | Very low | 97 Ų | 97 | 115.9 Ų | 115.9 | 63% | 0.63 | 66% | 0.663 | S | S | * | * | cis | -51.5 | 148.3 | 32.1 | 48.3 | -23.1 | 0 | 0 | 0 | 124.4 | D1185 | P392-D1185 HydrophobicContact CB-CB 4.13Å; P392-D1185 WeakPolarHBondContact CB-OD2 3.33Å | ||
| 393 | D | 31.7 | Very low | 29.9 | Very low | 58 Ų | 58 | 116.2 Ų | 116.2 | 31% | 0.31 | 67% | 0.665 | S | S | . | * | 69.5 | 132.9 | 90.9 | -98.6 | -41.5 | 0 | 0 | 0 | 125.5 | D1184 D1185 | D393-D1184 WeakPolarHBondContact OD2-CB 3.4Å; D393-D1185 PolarHBondContact N-OD2 2.83Å | |||
| 394 | Q | 31.6 | Very low | 30.1 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 49% | 0.486 | 67% | 0.665 | S | S | . | * | trans | 46.4 | 138.3 | 131.4 | -85.5 | 179.6 | 88.6 | 0 | 0 | 124.9 | E1183 | Q394-E1183 PolarHBondContact NE2-OE1 2.95Š| ||
| 395 | N | 30 | Very low | 30.1 | Very low | 126 Ų | 126 | 111.9 Ų | 111.9 | 67% | 0.674 | 66% | 0.66 | S | S | * | * | trans | 60.2 | 144.3 | 143.4 | -59.1 | -25.3 | 0 | 0 | 0 | 118.7 | ||||
| 396 | E | 30 | Very low | 29.9 | Very low | 168 Ų | 168 | 113.8 Ų | 113.8 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | cis | -159.2 | 166.4 | -7 | -126.4 | -163.1 | 142 | 0 | 0 | 104.7 | ||||
| 397 | V | 33 | Very low | 30 | Very low | 113 Ų | 113 | 113.7 Ų | 113.7 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | cis | -140.3 | 156.4 | 16.7 | -167.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 398 | A | 27.8 | Very low | 30.1 | Very low | 82 Ų | 82 | 109.5 Ų | 109.5 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | trans | -59.3 | 175.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 399 | S | 30.3 | Very low | 30.1 | Very low | 82 Ų | 82 | 113 Ų | 113 | 57% | 0.573 | 69% | 0.692 | S | S | * | * | 165.4 | 163.7 | 72 | 47.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 400 | F | 30.5 | Very low | 30 | Very low | 187 Ų | 187 | 114 Ų | 114 | 82% | 0.82 | 69% | 0.688 | S | S | * | * | trans | 68.4 | 143.6 | 161.5 | -58.4 | -63.9 | 0 | 0 | 0 | 119.8 | ||||
| 401 | V | 29 | Very low | 29.9 | Very low | 122 Ų | 122 | 121 Ų | 121 | 74% | 0.739 | 69% | 0.692 | S | S | * | * | cis | -168 | 171.2 | -30.4 | 97.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 402 | S | 31.5 | Very low | 29.7 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | trans | 95.7 | 99.1 | 166.3 | -41.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 403 | Q | 28.3 | Very low | 29.2 | Very low | 181 Ų | 181 | 128 Ų | 128 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | -5.3 | 169.7 | 109.4 | -78.3 | -172.6 | 5.1 | 0 | 0 | 119.3 | |||||
| 404 | P | 35.8 | Very low | 28.9 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 62% | 0.623 | 73% | 0.733 | S | S | * | * | cis | -146.2 | 166.1 | -28.5 | 38.2 | -19.6 | 0 | 0 | 0 | 116.7 | ||||
| 405 | S | 25.1 | Very low | 28.7 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | trans | 68.3 | 160.4 | 135 | 69.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 406 | V | 27.8 | Very low | 28.8 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | trans | 80.1 | 127.1 | 159.9 | -163.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 407 | S | 28.7 | Very low | 29 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | trans | 64.4 | 154.1 | 164.8 | 68.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 408 | G | 29.1 | Very low | 29.1 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | cis | 160.9 | 151.6 | -11.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 409 | L | 29.2 | Very low | 29.5 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | trans | 69 | 153.8 | 170.3 | -59.4 | 173.8 | 0 | 0 | 0 | 119 | ||||
| 410 | N | 24.4 | Very low | 29.4 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -59.5 | 157.7 | 166 | -58.4 | -71.3 | 0 | 0 | 0 | 111.6 | ||||
| 411 | Y | 28 | Very low | 29.5 | Very low | 221 Ų | 221 | 132.9 Ų | 132.9 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | -174 | 167.2 | 101 | -109.3 | -81.2 | 0 | 0 | 0 | 113.5 | |||||
| 412 | K | 25.2 | Very low | 29.6 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -81.1 | -176.1 | 167.5 | -65.5 | 177.2 | 176.7 | 176.8 | 0 | 111.2 | ||||
| 413 | H | 25.4 | Very low | 29.9 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 68% | 0.676 | 76% | 0.764 | S | S | * | * | trans | 74.6 | 158.5 | 161.1 | -68.3 | -64.6 | 0 | 0 | 0 | 115 | ||||
| 414 | H | 25.5 | Very low | 30.4 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | cis | 173.6 | 165.4 | -23.5 | -105.4 | 9.5 | 0 | 0 | 0 | 104.7 | ||||
| 415 | G | 28.2 | Very low | 30.3 | Very low | 60 Ų | 60 | 133.2 Ų | 133.2 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | trans | 126.1 | 145.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 416 | H | 33.1 | Very low | 30.8 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 79% | 0.787 | 75% | 0.754 | S | S | * | * | cis | -156.5 | 149 | 5.3 | -78 | -76.5 | 0 | 0 | 0 | 108.2 | ||||
| 417 | M | 32.3 | Very low | 31 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | cis | -169.8 | 174 | -12.1 | -144 | 157.2 | 56.4 | 0 | 0 | 108.6 | ||||
| 418 | I | 35.2 | Very low | 31.5 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | trans | 71.7 | 144.9 | 158.6 | -71.8 | 165.4 | 0 | 0 | 0 | 115.2 | ||||
| 419 | Q | 36.1 | Very low | 31.8 | Very low | 190 Ų | 190 | 134.3 Ų | 134.3 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | cis | -139 | 179.1 | 6.6 | -143.6 | 146.2 | 7.1 | 0 | 0 | 110.6 | ||||
| 420 | G | 29.7 | Very low | 32 | Very low | 79 Ų | 79 | 128.4 Ų | 128.4 | 81% | 0.814 | 71% | 0.711 | S | S | * | * | trans | -155 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 421 | G | 31.1 | Very low | 32.3 | Very low | 76 Ų | 76 | 129.4 Ų | 129.4 | 78% | 0.784 | 72% | 0.717 | S | S | * | * | trans | 123 | 150.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 422 | N | 32.7 | Very low | 32.6 | Very low | 147 Ų | 147 | 122.3 Ų | 122.3 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | cis | -166.1 | 158.3 | -1.4 | -146.2 | 0.9 | 0 | 0 | 0 | 111.5 | ||||
| 423 | I | 37.5 | Very low | 32.8 | Very low | 150 Ų | 150 | 124.6 Ų | 124.6 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | trans | 68.7 | 137.1 | 156.7 | -64.8 | 158.8 | 0 | 0 | 0 | 117.9 | ||||
| 424 | A | 38.7 | Very low | 32.9 | Very low | 73 Ų | 73 | 125.6 Ų | 125.6 | 60% | 0.603 | 71% | 0.71 | S | S | * | * | cis | -170.3 | 156.5 | -16.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 425 | N | 33.6 | Very low | 33.2 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | trans | 60.5 | 149.5 | 153.9 | -67.8 | 37.6 | 0 | 0 | 0 | 120.4 | ||||
| 426 | D | 34.8 | Very low | 33.1 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 61% | 0.61 | 71% | 0.71 | S | S | * | * | cis | -160 | 143.4 | -2.2 | -117.9 | -32.9 | 0 | 0 | 0 | 112.8 | ||||
| 427 | N | 33.4 | Very low | 33.1 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | trans | 55.4 | 153.3 | 150 | -64.4 | -52.1 | 0 | 0 | 0 | 123 | ||||
| 428 | V | 37.3 | Very low | 32.9 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 65% | 0.648 | 72% | 0.719 | S | S | * | * | cis | 172.2 | 151.3 | -30.4 | 124 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 429 | P | 36.7 | Very low | 33.1 | Very low | 85 Ų | 85 | 128 Ų | 128 | 55% | 0.552 | 72% | 0.72 | S | S | * | * | cis | -129.9 | -154.3 | -38.3 | 43.6 | -24.7 | 0 | 0 | 0 | 110.8 | ||||
| 430 | A | 33.6 | Very low | 32.7 | Very low | 51 Ų | 51 | 126.7 Ų | 126.7 | 42% | 0.421 | 72% | 0.716 | S | S | . | * | trans | -147.7 | 145.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 431 | N | 30.9 | Very low | 32.8 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | trans | -173.4 | 156.6 | 134.3 | -123.2 | -41.1 | 0 | 0 | 0 | 118.1 | ||||
| 432 | A | 33.9 | Very low | 32.9 | Very low | 71 Ų | 71 | 130.3 Ų | 130.3 | 59% | 0.587 | 71% | 0.711 | S | S | * | * | trans | 65.5 | 112.5 | 145.8 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 433 | R | 29.5 | Very low | 32.8 | Very low | 219 Ų | 219 | 127.3 Ų | 127.3 | 83% | 0.826 | 69% | 0.694 | S | S | * | * | 60.7 | 149.9 | 127.4 | -61.7 | 177 | -178.3 | 161.7 | -0.8 | 118.8 | |||||
| 434 | F | 28 | Very low | 32.6 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 73% | 0.732 | 69% | 0.686 | S | S | * | * | cis | -164.5 | 167.6 | 23.1 | -124.3 | -42.8 | 0 | 0 | 0 | 111.3 | ||||
| 435 | I | 30.9 | Very low | 32.4 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | trans | 74 | 103.8 | 148.6 | -64.7 | 164.6 | 0 | 0 | 0 | 121.2 | ||||
| 436 | S | 26.9 | Very low | 32.2 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | 72.7 | 140 | 119.4 | -148.2 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 437 | R | 31.8 | Very low | 32.6 | Very low | 227 Ų | 227 | 131.9 Ų | 131.9 | 86% | 0.857 | 71% | 0.706 | S | S | * | * | trans | 71.3 | 117.3 | 155.5 | -75.7 | 164.7 | -176.4 | -172 | 1.5 | 122.3 | ||||
| 438 | N | 28.1 | Very low | 32.6 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | 26.8 | 157.1 | 127.1 | -73.7 | 3.5 | 0 | 0 | 0 | 122.8 | |||||
| 439 | P | 41 | Very low | 32.5 | Very low | 108 Ų | 108 | 131 Ų | 131 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | cis | -144.1 | 173.8 | -25.8 | 40.4 | -21.8 | 0 | 0 | 0 | 116.7 | ||||
| 440 | M | 27.2 | Very low | 32.2 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 80% | 0.803 | 73% | 0.725 | S | S | * | * | trans | 44.7 | 106 | 146 | -76.8 | -70.8 | -71.8 | 0 | 0 | 123.2 | ||||
| 441 | S | 31.9 | Very low | 32.6 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | 172 | 120.9 | 124.8 | 35.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 442 | V | 33 | Very low | 32.7 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | 68.8 | 115.4 | 76.9 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 443 | L | 30.7 | Very low | 32.5 | Very low | 83 Ų | 83 | 138.7 Ų | 138.7 | 44% | 0.435 | 75% | 0.747 | S | S | . | * | -176.5 | 140.9 | 74.8 | -172.9 | 62.3 | 0 | 0 | 0 | 115.6 | A1085 S1086 | L443-A1085 HydrophobicContact CD2-CB 4.48Å; L443-S1086 VanDerWaalsContact CD2-OG 3.22Å; L443-S1086 WeakPolarHBondContact CD2-OG 3.37Å | |||
| 444 | N | 32 | Very low | 32.6 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 58% | 0.583 | 75% | 0.75 | S | S | * | * | trans | 57.9 | 157.1 | 154.8 | -68.4 | -12.8 | 0 | 0 | 0 | 121.1 | ||||
| 445 | K | 35.2 | Very low | 32.7 | Very low | 202 Ų | 202 | 137.2 Ų | 137.2 | 88% | 0.878 | 76% | 0.756 | S | S | * | * | cis | -130.5 | 162.7 | 17.3 | -77 | -177.4 | 176.6 | 178.8 | 0 | 115.4 | ||||
| 446 | L | 30.1 | Very low | 33.3 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | -95.4 | -172.4 | 171.1 | -76 | 102.4 | 0 | 0 | 0 | 111.6 | ||||
| 447 | P | 43.6 | Very low | 33.6 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | -140.7 | -153.7 | -52.3 | 42.4 | -24.3 | 0 | 0 | 0 | 113.3 | |||||
| 448 | A | 31.9 | Very low | 33.4 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | trans | 83.2 | 155.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 449 | V | 35.7 | Very low | 33.5 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | cis | -137.9 | 145.5 | 19.1 | 172.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 450 | T | 30.9 | Very low | 33 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | trans | 10.1 | 140.5 | 154.7 | -43.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 451 | P | 40.7 | Very low | 33.1 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -96.5 | 170.9 | 175.9 | 40 | -37.8 | 0 | 0 | 0 | 116.4 | ||||
| 452 | Q | 33 | Very low | 33.2 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | trans | -137.2 | 137.1 | 161.3 | -72.2 | -169.8 | -0.2 | 0 | 0 | 108.9 | ||||
| 453 | S | 31.3 | Very low | 33 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | 68.7 | 128.9 | 75.5 | -111.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 454 | M | 31.1 | Very low | 32.9 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | cis | -145.3 | 176.3 | 11.4 | -75.7 | -167.2 | 166.2 | 0 | 0 | 113.9 | ||||
| 455 | M | 28.7 | Very low | 32.7 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | trans | -87.1 | -154.2 | 164.2 | -48.4 | 174.7 | 145.3 | 0 | 0 | 110.1 | ||||
| 456 | P | 44.6 | Very low | 32.4 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 60% | 0.597 | 73% | 0.731 | S | S | * | * | cis | -139.5 | -174.1 | -17.2 | 28.4 | -3.2 | 0 | 0 | 0 | 116.1 | ||||
| 457 | H | 32.9 | Very low | 32.3 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | trans | 73.3 | 166.5 | 151.7 | -62.2 | -37.5 | 0 | 0 | 0 | 121.5 | ||||
| 458 | N | 27.8 | Very low | 31.6 | Very low | 134 Ų | 134 | 136 Ų | 136 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | cis | -173.8 | 144.4 | -48.8 | -150.5 | -3.9 | 0 | 0 | 0 | 111.1 | ||||
| 459 | S | 30 | Very low | 31.5 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | 64 | 159.6 | 159.3 | 77.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 460 | R | 29.6 | Very low | 31.5 | Very low | 220 Ų | 220 | 133.9 Ų | 133.9 | 83% | 0.83 | 72% | 0.723 | S | S | * | * | cis | -168.5 | 141.9 | -9.9 | -120.4 | 177 | -175 | -162.5 | 2.8 | 111.2 | ||||
| 461 | L | 31 | Very low | 31.5 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | trans | 42.3 | 167 | 139.5 | -65.2 | 173.2 | 0 | 0 | 0 | 123.1 | ||||
| 462 | P | 33.6 | Very low | 31.2 | Very low | 76 Ų | 76 | 134.6 Ų | 134.6 | 49% | 0.494 | 73% | 0.725 | S | S | . | * | cis | -104.2 | -156.7 | -4.2 | 43.6 | -34.8 | 0 | 0 | 0 | 111.9 | ||||
| 463 | R | 27.7 | Very low | 31.1 | Very low | 179 Ų | 179 | 132.4 Ų | 132.4 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | cis | 75.3 | 152.7 | 7.3 | -130.3 | -131.4 | 151.2 | -150.5 | -21.1 | 122.2 | D465 | R463-D465 IonicContact CZ-OD1 3.58Å; R463-D465 IonicContact CZ-OD2 2.89Å; R463-D465 VanDerWaalsContact CZ-OD2 3.3Å; R463-D465 IonicContact NH1-OD2 2.72Å; R463-D465 PolarHBondContact NH1-OD2 3.36Å; R463-D465 IonicContact NH2-OD1 3.15Å; R463-D465 PolarHBondContact NH2-OD1 3.01Å; R463-D465 IonicContact NH2-OD2 3.69Å; R463-D465 PolarHBondContact NH2-OD2 3.29Å | ||
| 464 | L | 29.3 | Very low | 31.2 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 58% | 0.581 | 72% | 0.724 | S | S | * | * | trans | 83.1 | 137.1 | 173.8 | -56.3 | 175.9 | 0 | 0 | 0 | 116.6 | ||||
| 465 | D | 27.4 | Very low | 31.2 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 54% | 0.535 | 72% | 0.722 | S | S | . | * | cis | -164 | 178.8 | -23.5 | -139.6 | -25.1 | 0 | 0 | 0 | 111.3 | R463 | R463-D465 IonicContact CZ-OD1 3.58Å; R463-D465 IonicContact CZ-OD2 2.89Å; R463-D465 VanDerWaalsContact CZ-OD2 3.3Å; R463-D465 IonicContact NH1-OD2 2.72Å; R463-D465 PolarHBondContact NH1-OD2 3.36Å; R463-D465 IonicContact NH2-OD1 3.15Å; R463-D465 PolarHBondContact NH2-OD1 3.01Å; R463-D465 IonicContact NH2-OD2 3.69Å; R463-D465 PolarHBondContact NH2-OD2 3.29Å | ||
| 466 | E | 28.7 | Very low | 31.4 | Very low | 186 Ų | 186 | 134.6 Ų | 134.6 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | trans | 69 | 144.5 | 163.6 | -68.9 | 170.3 | -158 | 0 | 0 | 119.1 | ||||
| 467 | G | 29 | Very low | 31.3 | Very low | 64 Ų | 64 | 136.7 Ų | 136.7 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | cis | -177.7 | -178.4 | -3.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 468 | E | 28.8 | Very low | 31.3 | Very low | 188 Ų | 188 | 131.5 Ų | 131.5 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | trans | 65.5 | 151.9 | 170.2 | -61.1 | -150.5 | 91.6 | 0 | 0 | 118.2 | ||||
| 469 | S | 29.5 | Very low | 31.4 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | cis | -165 | -179 | -15.3 | -103.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 470 | A | 34.9 | Very low | 31.4 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | trans | 65.9 | 107.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 471 | T | 30.8 | Very low | 31.4 | Very low | 134 Ų | 134 | 130 Ų | 130 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | 79.9 | 148.4 | 69.4 | 61.2 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 472 | V | 35.5 | Very low | 31.1 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 74% | 0.739 | 73% | 0.729 | S | S | * | * | trans | 91.8 | 103.9 | 167.6 | -168.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 473 | N | 30 | Very low | 30.7 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 25.2 | 135 | 138.8 | -46.4 | -12.5 | 0 | 0 | 0 | 119.9 | ||||
| 474 | T | 33.8 | Very low | 30.8 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | -168.7 | 149.2 | 64 | 25.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 475 | K | 32.1 | Very low | 30.8 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | 63.1 | 117.1 | 168 | -62.9 | -176.1 | 174.9 | -173.3 | 0 | 116.6 | ||||
| 476 | E | 33.1 | Very low | 30.6 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | 67.7 | 132.9 | 61.8 | -68.3 | -148.3 | 148.4 | 0 | 0 | 115.5 | |||||
| 477 | P | 42.7 | Very low | 30.4 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | cis | -109.8 | -159.7 | -30.7 | 40.9 | -28.1 | 0 | 0 | 0 | 109.6 | ||||
| 478 | G | 31.3 | Very low | 30.3 | Very low | 62 Ų | 62 | 146.4 Ų | 146.4 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | cis | 179 | 155.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 479 | E | 30.3 | Very low | 30.3 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | cis | 81.5 | 138 | 23.5 | -63 | -129.3 | 109.1 | 0 | 0 | 116.6 | ||||
| 480 | N | 30 | Very low | 30.3 | Very low | 119 Ų | 119 | 147 Ų | 147 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | cis | -168.3 | 141.5 | -31 | -124.3 | -28.8 | 0 | 0 | 0 | 110.9 | ||||
| 481 | T | 29.3 | Very low | 30.1 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 45.3 | 143.3 | 152.9 | 54.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 482 | L | 26.1 | Very low | 30 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 83.6 | 100.3 | 145.8 | -73.3 | 161.1 | 0 | 0 | 0 | 122.4 | ||||
| 483 | R | 25.4 | Very low | 29.7 | Very low | 226 Ų | 226 | 148.9 Ų | 148.9 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | 67.8 | 95 | 113.1 | -167.7 | -163.7 | -161 | -156.1 | 7.1 | 120.1 | |||||
| 484 | Q | 28.5 | Very low | 29.7 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | trans | -166.8 | 145.4 | 132.3 | -112.1 | 168.9 | -0.4 | 0 | 0 | 113.4 | ||||
| 485 | N | 29.1 | Very low | 29.5 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | trans | 47.2 | 114.5 | 158.4 | -49.5 | -11.5 | 0 | 0 | 0 | 118.5 | ||||
| 486 | F | 23.1 | Very low | 29.5 | Very low | 214 Ų | 214 | 148 Ų | 148 | 94% | 0.939 | 74% | 0.741 | S | S | * | * | 42.6 | 96.3 | 71.1 | -88.6 | -82.5 | 0 | 0 | 0 | 115 | |||||
| 487 | A | 26.2 | Very low | 29.2 | Very low | 88 Ų | 88 | 144.1 Ų | 144.1 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | 170.9 | 139.1 | 115.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 488 | R | 26.2 | Very low | 28.7 | Very low | 216 Ų | 216 | 144.5 Ų | 144.5 | 82% | 0.815 | 73% | 0.732 | S | S | * | * | trans | 40.4 | 118.8 | 149.8 | -61 | 178.9 | -179.4 | -174.8 | -4.3 | 119.5 | E1198 | R488-E1198 IonicContact NH2-OE2 2.7Š| ||
| 489 | L | 28.9 | Very low | 28.6 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | -137.2 | 105.8 | 122 | -109.7 | 170.2 | 0 | 0 | 0 | 108.6 | |||||
| 490 | Q | 28.9 | Very low | 28.6 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 59% | 0.589 | 74% | 0.737 | S | S | * | * | trans | -91.7 | 117.3 | 164.2 | 175.7 | -166.5 | -13.8 | 0 | 0 | 105.8 | E1193 | Q490-E1193 PolarHBondContact NE2-OE2 3.29Š| ||
| 491 | E | 30.3 | Very low | 28.7 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 47% | 0.467 | 74% | 0.739 | S | S | . | * | trans | 59.4 | 176.9 | 160.3 | -66.6 | 174.7 | 108.8 | 0 | 0 | 114.7 | ||||
| 492 | R | 30.2 | Very low | 29 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | cis | -147 | 160.3 | -34.6 | -113.4 | 177.8 | -146.2 | -94.8 | -0.2 | 106.1 | ||||
| 493 | E | 29.2 | Very low | 29.1 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 45% | 0.449 | 74% | 0.74 | S | S | . | * | cis | -152.7 | -166 | -17.5 | -150.5 | 178.4 | 102.8 | 0 | 0 | 106.7 | H495 | E493-H495 IonicContact OE1-CE1 2.9Å; E493-H495 PolarHBondContact OE1-CE1 2.84Å; E493-H495 IonicContact OE1-CG 3.97Å; E493-H495 IonicContact OE1-ND1 3.49Å; E493-H495 PolarHBondContact OE1-ND1 3.22Å; E493-H495 IonicContact OE2-CE1 2.75Å; E493-H495 IonicContact OE2-ND1 2.76Å | ||
| 494 | H | 29.9 | Very low | 29.3 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 89% | 0.889 | 74% | 0.738 | S | S | * | * | trans | -138.5 | 106.1 | 153.2 | -110.5 | 46.2 | 0 | 0 | 0 | 110.5 | ||||
| 495 | H | 27.9 | Very low | 29.3 | Very low | 123 Ų | 123 | 138 Ų | 138 | 57% | 0.569 | 73% | 0.732 | S | S | * | * | trans | -84 | -176.2 | -179.4 | -46 | -67 | 0 | 0 | 0 | 111.3 | E493 | E493-H495 IonicContact OE1-CE1 2.9Å; E493-H495 PolarHBondContact OE1-CE1 2.84Å; E493-H495 IonicContact OE1-CG 3.97Å; E493-H495 IonicContact OE1-ND1 3.49Å; E493-H495 PolarHBondContact OE1-ND1 3.22Å; E493-H495 IonicContact OE2-CE1 2.75Å; E493-H495 IonicContact OE2-ND1 2.76Å | ||
| 496 | P | 32.5 | Very low | 29.4 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | -118 | 136.3 | 76.8 | 36.3 | -33.3 | 0 | 0 | 0 | 111.9 | |||||
| 497 | S | 26.7 | Very low | 29.7 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | 71.7 | 107.8 | 50.3 | -169.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 498 | V | 32.1 | Very low | 29.9 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 89% | 0.885 | 73% | 0.733 | S | S | * | * | trans | 148.6 | 143.8 | 143.2 | 161.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 499 | G | 29.7 | Very low | 30 | Very low | 65 Ų | 65 | 135.8 Ų | 135.8 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | trans | 125.7 | 32.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | A501 | G499-A501 PolarHBondContact O-N 2.99Š| ||
| 500 | V | 30 | Very low | 30.2 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 89% | 0.891 | 73% | 0.727 | S | S | * | * | trans | -6.7 | 120.5 | 140.6 | 175.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 501 | A | 33.2 | Very low | 30.2 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | trans | -82.7 | 165 | 161 | 0 | 0 | 0 | 0 | 0 | 110.1 | G499 | G499-A501 PolarHBondContact O-N 2.99Š| ||
| 502 | P | 35.8 | Very low | 30.1 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | cis | -144.8 | -171.6 | 8.9 | 46.8 | -29.4 | 0 | 0 | 0 | 115.9 | ||||
| 503 | Q | 26.9 | Very low | 30 | Very low | 171 Ų | 171 | 130.2 Ų | 130.2 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | trans | 58.1 | 132.7 | 154.3 | -63.7 | -156.4 | 7.1 | 0 | 0 | 120.4 | ||||
| 504 | R | 30.6 | Very low | 30.1 | Very low | 214 Ų | 214 | 129 Ų | 129 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | -152.4 | 131.5 | 73.8 | -89.6 | 174.6 | 172.6 | -174.4 | -2.4 | 110.7 | |||||
| 505 | S | 28.7 | Very low | 30.3 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | 85.3 | 133.2 | 79.9 | -154.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 506 | V | 31 | Very low | 30.7 | Very low | 113 Ų | 113 | 125 Ų | 125 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | -156.6 | 147.9 | 58.5 | 161.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 507 | N | 29 | Very low | 30.6 | Very low | 166 Ų | 166 | 125 Ų | 125 | 89% | 0.888 | 72% | 0.717 | S | S | * | * | trans | 64.5 | 146.1 | 164.2 | -69.4 | -17.1 | 0 | 0 | 0 | 120.8 | ||||
| 508 | G | 31.3 | Very low | 31.5 | Very low | 81 Ų | 81 | 123.8 Ų | 123.8 | 84% | 0.835 | 71% | 0.707 | S | S | * | * | trans | 147.6 | 79 | 158.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 509 | R | 26.8 | Very low | 31.6 | Very low | 246 Ų | 246 | 123.7 Ų | 123.7 | 93% | 0.928 | 70% | 0.697 | S | S | * | * | trans | -101.5 | 155.3 | 149.3 | -127.7 | -172.8 | -179.1 | -175.9 | 0.9 | 106.4 | ||||
| 510 | P | 33.9 | Very low | 31.7 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | cis | -129.8 | -160.8 | -7.2 | 40.1 | -20.7 | 0 | 0 | 0 | 112.3 | ||||
| 511 | Q | 27.9 | Very low | 31.7 | Very low | 166 Ų | 166 | 125.3 Ų | 125.3 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | trans | 39 | 116.2 | 146.5 | -73.7 | 173.9 | -19.2 | 0 | 0 | 119.4 | ||||
| 512 | S | 28.7 | Very low | 31.5 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | 46.6 | 129 | 85.3 | 75 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 513 | S | 29 | Very low | 31.6 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | cis | -173.6 | 172.6 | -1.5 | 50.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 514 | S | 31.5 | Very low | 31.6 | Very low | 71 Ų | 71 | 130.9 Ų | 130.9 | 50% | 0.497 | 69% | 0.693 | S | S | . | * | trans | 51.9 | 139.4 | 142.6 | 57.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 515 | H | 34.2 | Very low | 31.3 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 64% | 0.644 | 69% | 0.688 | S | S | * | * | 160.5 | 151.1 | 116.3 | -78.3 | -59.9 | 0 | 0 | 0 | 108.2 | |||||
| 516 | H | 35.2 | Very low | 31.3 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 42% | 0.421 | 69% | 0.692 | S | S | . | * | 177.1 | 177.4 | 73.3 | -99.6 | -62.9 | 0 | 0 | 0 | 109.9 | D1149 L1150 G1151 | H516-D1149 CarbonylContact C-O 3.6Å; H516-L1150 CarbonylContact O-C 3.59Å; H516-L1150 VanDerWaalsContact O-C 3.28Å; H516-G1151 WeakPolarHBondContact O-CA 3.47Å; H516-G1151 PolarHBondContact O-N 3.22Å | |||
| 517 | F | 30.8 | Very low | 31 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 55% | 0.553 | 69% | 0.69 | S | S | * | * | S | Bend | cis | -112.7 | -153.4 | -3.3 | -109.8 | -82.6 | 0 | 0 | 0 | 108 | Q519 D1149 | F517-Q519 HydrophobicContact CD1-CG 4.37Å; F517-D1149 PolarHBondContact N-O 2.9Å |
| 518 | P | 45.1 | Very low | 31 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 47% | 0.468 | 69% | 0.693 | S | S | . | * | -164.2 | -170.7 | -87.8 | 51.9 | -34.1 | 0 | 0 | 0 | 125.9 | |||||
| 519 | Q | 34.6 | Very low | 30.8 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 67% | 0.673 | 68% | 0.684 | S | S | * | * | trans | 79.9 | 137.9 | 136.6 | -70.3 | -128.5 | 39.4 | 0 | 0 | 118.8 | F517 | F517-Q519 HydrophobicContact CD1-CG 4.37Š| ||
| 520 | H | 31.9 | Very low | 31.5 | Very low | 149 Ų | 149 | 124.2 Ų | 124.2 | 69% | 0.69 | 68% | 0.68 | S | S | * | * | cis | -167.7 | 169 | -22.6 | -140.1 | -131.6 | 0 | 0 | 0 | 110.7 | ||||
| 521 | S | 30.4 | Very low | 31.6 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | trans | 56.3 | 122.7 | 159 | 46.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 522 | R | 27.6 | Very low | 31.5 | Very low | 236 Ų | 236 | 121 Ų | 121 | 89% | 0.891 | 68% | 0.68 | S | S | * | * | 58.5 | 146.1 | 64.1 | -77.3 | -168.7 | 172.8 | -170.5 | 1.1 | 114.9 | |||||
| 523 | P | 39 | Very low | 31.5 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 70% | 0.695 | 69% | 0.686 | S | S | * | * | cis | -140.6 | -139.4 | -42 | 36.9 | -15.1 | 0 | 0 | 0 | 110.1 | ||||
| 524 | L | 26.4 | Very low | 31.3 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | trans | 103.3 | 108.2 | 156.5 | -67.5 | 169.4 | 0 | 0 | 0 | 120.2 | ||||
| 525 | N | 24 | Very low | 31.3 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 72% | 0.717 | 70% | 0.703 | S | S | * | * | 66.6 | 131.3 | 123.9 | -80.5 | 2.3 | 0 | 0 | 0 | 122.8 | |||||
| 526 | S | 28.2 | Very low | 30.9 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | trans | 72.8 | 161.8 | 135.7 | 84.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 527 | S | 25 | Very low | 30.7 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | cis | -173.2 | 174.7 | -27 | 54.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 528 | R | 30.4 | Very low | 30.5 | Very low | 249 Ų | 249 | 136.5 Ų | 136.5 | 94% | 0.94 | 73% | 0.732 | S | S | * | * | trans | 67.7 | 157.2 | -171.6 | -48.1 | 169.3 | 170.2 | 173.7 | -5 | 111.5 | ||||
| 529 | G | 25.7 | Very low | 29.7 | Very low | 64 Ų | 64 | 141.5 Ų | 141.5 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | cis | 151.7 | 139.2 | -8.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 530 | P | 42.3 | Very low | 29.2 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | trans | -74.4 | 178.6 | 172.4 | 37.5 | -38.5 | 0 | 0 | 0 | 110.3 | ||||
| 531 | P | 36.5 | Very low | 28.9 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | cis | -140.9 | -172.2 | 18.9 | 44.2 | -24.9 | 0 | 0 | 0 | 117.3 | ||||
| 532 | A | 25.4 | Very low | 28.7 | Very low | 78 Ų | 78 | 141.6 Ų | 141.6 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | trans | -45.7 | 164 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 533 | Y | 27.8 | Very low | 28.7 | Very low | 210 Ų | 210 | 137.8 Ų | 137.8 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | -154.9 | 159.5 | 104.2 | -126.7 | -103.4 | 0 | 0 | 0 | 113.8 | |||||
| 534 | N | 24.8 | Very low | 28.2 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | trans | -42.9 | 150 | -175.6 | -50.4 | -22.4 | 0 | 0 | 0 | 116.9 | ||||
| 535 | Q | 32.9 | Very low | 28.6 | Very low | 196 Ų | 196 | 139.7 Ų | 139.7 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | -153.4 | 142.7 | 101.5 | -110.6 | 176.4 | 21.4 | 0 | 0 | 113.7 | |||||
| 536 | S | 25.4 | Very low | 28.7 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | -115 | 116.7 | 177.6 | 44.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 537 | Q | 31 | Very low | 28.8 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -168.6 | 127.5 | 156.4 | -106.2 | 143.6 | 96.5 | 0 | 0 | 106.2 | ||||
| 538 | Q | 26.2 | Very low | 28.9 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | 61.2 | 115.3 | 55.8 | -63.9 | -172.9 | -8.8 | 0 | 0 | 113.7 | |||||
| 539 | Q | 27.6 | Very low | 28.9 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -160.6 | 131 | 132.6 | -103.8 | 165.3 | 30.8 | 0 | 0 | 105.6 | ||||
| 540 | M | 23.8 | Very low | 29.2 | Very low | 140 Ų | 140 | 143 Ų | 143 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | cis | 58.7 | 117.5 | 30.6 | -63.2 | -69.9 | -86.9 | 0 | 0 | 113.5 | ||||
| 541 | H | 25.7 | Very low | 28.6 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | 13.5 | 128.3 | 152.3 | -48.4 | -64.9 | 0 | 0 | 0 | 117.7 | ||||
| 542 | S | 26.8 | Very low | 28.6 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | 179.9 | 175.4 | 51.6 | 48 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 543 | N | 27.3 | Very low | 29 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | 84.7 | 138.1 | 155.8 | -59.9 | -31.4 | 0 | 0 | 0 | 119.7 | ||||
| 544 | Q | 29 | Very low | 29.3 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | -90.9 | 163.1 | -174 | -58.7 | 173.4 | -17.9 | 0 | 0 | 111.6 | ||||
| 545 | P | 35.2 | Very low | 29.8 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | -116.4 | 134.9 | 98.7 | 33.3 | -33.9 | 0 | 0 | 0 | 111.5 | |||||
| 546 | K | 26.3 | Very low | 29.8 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | 68.3 | 84.5 | 62.8 | -85.8 | -167.4 | 172.6 | 179.4 | 0 | 114.8 | |||||
| 547 | L | 30.1 | Very low | 30.3 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 95% | 0.953 | 76% | 0.758 | S | S | * | * | trans | 160.4 | 127.5 | 145.7 | -87 | 156.9 | 0 | 0 | 0 | 104.1 | ||||
| 548 | G | 27.3 | Very low | 30.3 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | cis | 124.4 | 141.7 | 34.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 549 | V | 30.7 | Very low | 30.8 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | cis | -163.2 | 152.4 | 9 | 85.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 550 | L | 30.4 | Very low | 31.1 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 64.6 | 136.2 | 170.4 | -58.9 | 170.3 | 0 | 0 | 0 | 116.8 | ||||
| 551 | A | 31.4 | Very low | 31.5 | Very low | 92 Ų | 92 | 124.8 Ų | 124.8 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | cis | 81.4 | 150.4 | 42.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 552 | A | 35.3 | Very low | 31.9 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | cis | -145.9 | 178.9 | 8.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 553 | G | 33.3 | Very low | 32.2 | Very low | 62 Ų | 62 | 123.5 Ų | 123.5 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | cis | -164.8 | 166.4 | 4.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 554 | S | 34.6 | Very low | 32.5 | Very low | 100 Ų | 100 | 119.8 Ų | 119.8 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | 84.3 | 139.9 | 96.1 | -76.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 555 | R | 34.6 | Very low | 32.7 | Very low | 211 Ų | 211 | 122.6 Ų | 122.6 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | cis | -169.5 | 162.6 | 3.5 | -96.4 | 158.6 | -168 | -104.6 | -0.9 | 105.9 | ||||
| 556 | L | 33.6 | Very low | 32.7 | Very low | 147 Ų | 147 | 121 Ų | 121 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | cis | -167.1 | 174.7 | -6.1 | -88 | 156.2 | 0 | 0 | 0 | 105.1 | ||||
| 557 | A | 35.9 | Very low | 32.9 | Very low | 63 Ų | 63 | 117.2 Ų | 117.2 | 52% | 0.521 | 76% | 0.761 | S | S | . | * | cis | -176.1 | -171.9 | -32.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 558 | D | 32.1 | Very low | 32.9 | Very low | 158 Ų | 158 | 114.9 Ų | 114.9 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | 66.9 | 145.2 | 154.3 | -55.6 | -24 | 0 | 0 | 0 | 120.5 | ||||
| 559 | A | 35.6 | Very low | 33.1 | Very low | 81 Ų | 81 | 119.5 Ų | 119.5 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | cis | -163.6 | 151 | -20.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 560 | S | 34.5 | Very low | 33 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | 51.2 | 119.7 | 144.3 | 63.4 | 0 | 0 | 0 | 0 | 125 | ||||
| 561 | G | 31.4 | Very low | 33 | Very low | 75 Ų | 75 | 117.7 Ų | 117.7 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | 91.4 | 162.6 | 129 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 562 | S | 34.2 | Very low | 33.1 | Very low | 108 Ų | 108 | 118.2 Ų | 118.2 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | cis | -177.2 | 139.5 | -21 | 44.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 563 | S | 33.7 | Very low | 32.7 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | 64.6 | 154 | 171.9 | 82.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 564 | S | 33.6 | Very low | 32.5 | Very low | 77 Ų | 77 | 123.4 Ų | 123.4 | 54% | 0.538 | 77% | 0.77 | S | S | . | * | cis | -163.3 | 172.5 | -19.7 | 40.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 565 | Y | 33.5 | Very low | 32.4 | Very low | 221 Ų | 221 | 124.7 Ų | 124.7 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | cis | -145.3 | -153.4 | 26.2 | -67.9 | -89.2 | 0 | 0 | 0 | 109.3 | ||||
| 566 | A | 34 | Very low | 32.6 | Very low | 92 Ų | 92 | 120.6 Ų | 120.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | -163.5 | 165.9 | -79.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 567 | A | 31.3 | Very low | 32.4 | Very low | 97 Ų | 97 | 118.8 Ų | 118.8 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | cis | -144.8 | 165.7 | 1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 568 | T | 29.8 | Very low | 32 | Very low | 133 Ų | 133 | 122.6 Ų | 122.6 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -116.9 | 148.2 | 166.6 | 48.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 569 | N | 31.1 | Very low | 31.9 | Very low | 167 Ų | 167 | 119.2 Ų | 119.2 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -159.5 | 166.1 | 152.3 | -116.4 | -12.9 | 0 | 0 | 0 | 112.1 | ||||
| 570 | T | 29.2 | Very low | 31.6 | Very low | 113 Ų | 113 | 123 Ų | 123 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | trans | -117.9 | 174.1 | -163.3 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 571 | T | 30.4 | Very low | 31.4 | Very low | 135 Ų | 135 | 122.3 Ų | 122.3 | 83% | 0.828 | 77% | 0.769 | S | S | * | * | trans | 71.9 | 167.6 | 155.1 | 40.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 572 | A | 32.9 | Very low | 31.4 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | 75 | 109.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 573 | S | 28.1 | Very low | 31.2 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -81.7 | 140.9 | 156.8 | 51 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 574 | D | 29.2 | Very low | 31.1 | Very low | 164 Ų | 164 | 125.2 Ų | 125.2 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -154.8 | 156.2 | 146.1 | -104.2 | -33.6 | 0 | 0 | 0 | 111.2 | ||||
| 575 | T | 32.7 | Very low | 31 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | trans | -125.3 | 149.6 | 173.3 | 57.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 576 | P | 38.2 | Very low | 30.9 | Very low | 125 Ų | 125 | 123.4 Ų | 123.4 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | -147 | -168.3 | 70.7 | 40.1 | -19.9 | 0 | 0 | 0 | 115 | |||||
| 577 | T | 29.1 | Very low | 30.7 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | trans | -93.5 | 177.9 | -174.9 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 578 | D | 27.7 | Very low | 30.8 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | 75.4 | 147.5 | 143.9 | -69.3 | -37.6 | 0 | 0 | 0 | 119.8 | ||||
| 579 | S | 29.1 | Very low | 30.6 | Very low | 87 Ų | 87 | 124.8 Ų | 124.8 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | cis | -169.3 | -176.7 | -10.3 | 45.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 580 | Q | 30.5 | Very low | 30.6 | Very low | 162 Ų | 162 | 123.9 Ų | 123.9 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | trans | 114.4 | 103.7 | 142.8 | -56.7 | -134 | 9.4 | 0 | 0 | 119.8 | ||||
| 581 | S | 30 | Very low | 30.7 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | 88.5 | 151.7 | 116.9 | 86.4 | 0 | 0 | 0 | 0 | 119 | |||||
| 582 | V | 30.5 | Very low | 30.8 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | cis | -168.1 | 165.9 | -13.8 | 122.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 583 | T | 31.8 | Very low | 30.8 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | trans | 65.9 | 150.1 | 168.6 | 55.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 584 | N | 31.3 | Very low | 31 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | -158.5 | 166.5 | -10.3 | -116.2 | 5.5 | 0 | 0 | 0 | 112.9 | ||||
| 585 | N | 31.7 | Very low | 31 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 57% | 0.572 | 72% | 0.723 | S | S | * | * | trans | 67.1 | 122.8 | 146.3 | -75.3 | 40.2 | 0 | 0 | 0 | 122.6 | ||||
| 586 | E | 30 | Very low | 31.1 | Very low | 154 Ų | 154 | 122 Ų | 122 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | 73.9 | 149.1 | 121 | -68.7 | -175.9 | 137.2 | 0 | 0 | 121.9 | |||||
| 587 | I | 31.2 | Very low | 30.8 | Very low | 136 Ų | 136 | 122 Ų | 122 | 70% | 0.697 | 72% | 0.723 | S | S | * | * | cis | -163.7 | 159.7 | -25.8 | -134.5 | 178.6 | 0 | 0 | 0 | 110.9 | ||||
| 588 | V | 32 | Very low | 30.7 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | trans | 52.4 | 110.2 | 157.2 | 178.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 589 | S | 26.3 | Very low | 30.8 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | 18.2 | 141.2 | 126.1 | -37.4 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 590 | T | 31.9 | Very low | 31.6 | Very low | 149 Ų | 149 | 123.5 Ų | 123.5 | 91% | 0.914 | 73% | 0.734 | S | S | * | * | -165.5 | 163.7 | 113.9 | 13.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 591 | S | 30.7 | Very low | 31.9 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | -94.1 | 150.6 | -168.2 | 48.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 592 | S | 33.2 | Very low | 31.9 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | 157.4 | 128.4 | 100.6 | 56.8 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 593 | S | 32.2 | Very low | 31.7 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | 51.9 | 113.5 | 144.2 | 56.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 594 | V | 32 | Very low | 31.7 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | 81.1 | 111.2 | 123.5 | 179.1 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 595 | N | 29.7 | Very low | 31.9 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | 64.3 | 148 | 151.2 | -65.5 | 3.6 | 0 | 0 | 0 | 118.7 | ||||
| 596 | N | 34.8 | Very low | 31.9 | Very low | 137 Ų | 137 | 122.9 Ų | 122.9 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | cis | -123 | 164.3 | 1.8 | -85.3 | -55.6 | 0 | 0 | 0 | 111.3 | V598 | N596-V598 PolarHBondContact O-N 3.42Š| ||
| 597 | S | 30.3 | Very low | 32 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -69.8 | 84.3 | -174.9 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 598 | V | 28.7 | Very low | 32 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -131.1 | 127.9 | 168.6 | 178 | 0 | 0 | 0 | 0 | 110.8 | N596 | N596-V598 PolarHBondContact O-N 3.42Š| ||
| 599 | T | 29.3 | Very low | 32 | Very low | 112 Ų | 112 | 118.2 Ų | 118.2 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | trans | -24.9 | 143.8 | 173.4 | 52.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 600 | T | 45.1 | Very low | 32.1 | Very low | 134 Ų | 134 | 121 Ų | 121 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -7.4 | 126.4 | 140.3 | 54 | 0 | 0 | 0 | 0 | 118 | ||||
| 601 | P | 36.6 | Very low | 32.1 | Very low | 111 Ų | 111 | 119.3 Ų | 119.3 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | trans | -140.1 | 179.3 | 136.8 | 39.6 | -23.6 | 0 | 0 | 0 | 110.5 | ||||
| 602 | L | 30 | Very low | 32 | Very low | 158 Ų | 158 | 117.8 Ų | 117.8 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | cis | -148.5 | 165.6 | 20.4 | -78.9 | 168.5 | 0 | 0 | 0 | 108.1 | ||||
| 603 | S | 27.4 | Very low | 31.9 | Very low | 92 Ų | 92 | 121.4 Ų | 121.4 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | cis | -173.6 | -162.4 | -17.8 | 59 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 604 | V | 32.4 | Very low | 31.7 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | 75.9 | 116.2 | 175.1 | -174.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 605 | I | 33.8 | Very low | 31.5 | Very low | 160 Ų | 160 | 121.5 Ų | 121.5 | 82% | 0.821 | 76% | 0.764 | S | S | * | * | cis | -146.1 | 137.3 | -0.3 | -105.5 | 160.1 | 0 | 0 | 0 | 110.3 | ||||
| 606 | G | 31.7 | Very low | 31.5 | Very low | 72 Ų | 72 | 122.2 Ų | 122.2 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 60 | 169.4 | 149 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 607 | A | 32.4 | Very low | 31.2 | Very low | 90 Ų | 90 | 122.3 Ų | 122.3 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | cis | -170.4 | 145.7 | -26.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 608 | V | 32.5 | Very low | 31.1 | Very low | 154 Ų | 154 | 123.7 Ų | 123.7 | 93% | 0.933 | 75% | 0.749 | S | S | * | * | trans | 65.8 | 147.8 | 169.8 | -163.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 609 | G | 30.6 | Very low | 31.8 | Very low | 63 Ų | 63 | 123.6 Ų | 123.6 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | cis | 160.2 | 142.8 | -15.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 610 | D | 29.3 | Very low | 32 | Very low | 158 Ų | 158 | 125.1 Ų | 125.1 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | 65.8 | 145 | 154.1 | -153.2 | 19.3 | 0 | 0 | 0 | 123.6 | ||||
| 611 | S | 30.6 | Very low | 31.4 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | 69.1 | 161.9 | 154.1 | 80.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 612 | G | 29.5 | Very low | 31.3 | Very low | 75 Ų | 75 | 128 Ų | 128 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 143.2 | 139.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 613 | Q | 30.5 | Very low | 31.5 | Very low | 181 Ų | 181 | 128 Ų | 128 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -134.2 | 155.5 | 173.2 | -70.7 | -171.6 | -8.2 | 0 | 0 | 112.9 | ||||
| 614 | L | 27.7 | Very low | 31.6 | Very low | 140 Ų | 140 | 135 Ų | 135 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | 43.1 | 106.9 | 139.2 | -69.6 | 169.4 | 0 | 0 | 0 | 122.8 | ||||
| 615 | S | 29.2 | Very low | 31.7 | Very low | 84 Ų | 84 | 132.5 Ų | 132.5 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | 62.5 | 167.5 | 122.3 | 60.1 | 0 | 0 | 0 | 0 | 124 | |||||
| 616 | H | 29.3 | Very low | 31.5 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | 92.6 | 141.9 | 166.2 | -57.8 | -65.9 | 0 | 0 | 0 | 119.1 | ||||
| 617 | H | 28.3 | Very low | 31.6 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 64% | 0.644 | 75% | 0.753 | S | S | * | * | cis | -171.9 | 135.8 | -25.8 | -136 | -129.5 | 0 | 0 | 0 | 113.5 | ||||
| 618 | F | 27.4 | Very low | 31.7 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | trans | 61.1 | -178.1 | 137.4 | -85.9 | -112 | 0 | 0 | 0 | 119.6 | L620 | F618-L620 HydrophobicContact CD1-CD1 3.77Å; F618-L620 HydrophobicContact CE1-CD1 3.66Å | ||
| 619 | P | 43.6 | Very low | 31.6 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | cis | -133 | -172 | 7.2 | 42.6 | -23.4 | 0 | 0 | 0 | 118.3 | ||||
| 620 | L | 33.8 | Very low | 32 | Very low | 145 Ų | 145 | 136 Ų | 136 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | -118 | 168.3 | 178.1 | -54.1 | 82.5 | 0 | 0 | 0 | 112.4 | F618 | F618-L620 HydrophobicContact CD1-CD1 3.77Å; F618-L620 HydrophobicContact CE1-CD1 3.66Å | ||
| 621 | Q | 33 | Very low | 32.5 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -166.6 | 158.4 | 155 | -109 | -159.8 | 96.2 | 0 | 0 | 108.6 | ||||
| 622 | H | 35.2 | Very low | 32.6 | Very low | 132 Ų | 132 | 135 Ų | 135 | 61% | 0.611 | 74% | 0.736 | S | S | * | * | cis | -159.7 | -177.8 | -17.6 | -144.2 | 12.2 | 0 | 0 | 0 | 106.2 | ||||
| 623 | H | 33.3 | Very low | 32.7 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 73% | 0.731 | 73% | 0.73 | S | S | * | * | cis | -118.9 | -140.8 | 8.5 | -62.3 | -89.8 | 0 | 0 | 0 | 108.7 | ||||
| 624 | R | 30.3 | Very low | 32.7 | Very low | 241 Ų | 241 | 136 Ų | 136 | 91% | 0.909 | 73% | 0.728 | S | S | * | * | cis | -157.8 | 134.1 | -5.2 | -166 | -179.9 | -179.6 | 169.3 | 0.4 | 107.9 | ||||
| 625 | A | 32.8 | Very low | 32.8 | Very low | 73 Ų | 73 | 137.7 Ų | 137.7 | 60% | 0.603 | 73% | 0.732 | S | S | * | * | cis | -158.6 | 167.4 | -18.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 626 | S | 31.2 | Very low | 33.3 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | trans | 73.3 | 142.3 | 158.7 | 72.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 627 | V | 32.9 | Very low | 33.4 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | cis | -155.2 | 160.4 | -8.5 | 118 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 628 | P | 34.6 | Very low | 33.4 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 62% | 0.623 | 74% | 0.744 | S | S | * | * | trans | -123.8 | -169.2 | -152.7 | 43.4 | -32.1 | 0 | 0 | 0 | 118.2 | ||||
| 629 | N | 29.5 | Very low | 33.4 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 96.3 | 177.9 | 161 | -55.4 | -22.3 | 0 | 0 | 0 | 117.8 | ||||
| 630 | P | 40 | Very low | 32.6 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | -126.7 | -145.4 | -85 | 37.8 | -18.1 | 0 | 0 | 0 | 113.8 | |||||
| 631 | P | 40.1 | Very low | 32.2 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | -123.3 | -165.5 | -80.7 | 39 | -20.2 | 0 | 0 | 0 | 114.9 | |||||
| 632 | N | 31.5 | Very low | 31.9 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | trans | 78.5 | 142.3 | 163.5 | -64.1 | -10.4 | 0 | 0 | 0 | 118.7 | ||||
| 633 | S | 32.6 | Very low | 31.4 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | cis | -169.4 | 156.6 | -11.4 | 53.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 634 | F | 30.5 | Very low | 31.1 | Very low | 186 Ų | 186 | 125.8 Ų | 125.8 | 82% | 0.816 | 74% | 0.743 | S | S | * | * | trans | 73.3 | 108.5 | 151.8 | -73.1 | -61.2 | 0 | 0 | 0 | 124.3 | ||||
| 635 | H | 30.1 | Very low | 31 | Very low | 176 Ų | 176 | 119.1 Ų | 119.1 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | 73 | 160.4 | 127 | -95.9 | -122.7 | 0 | 0 | 0 | 122.5 | |||||
| 636 | P | 40.3 | Very low | 30.8 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | trans | -116 | -166.5 | -159.4 | 44.6 | -34.7 | 0 | 0 | 0 | 113.3 | ||||
| 637 | T | 30.4 | Very low | 30.7 | Very low | 133 Ų | 133 | 120.1 Ų | 120.1 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | 166.1 | 157.1 | 128.8 | -70.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 638 | V | 28.4 | Very low | 30.7 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | trans | -53.5 | 131.2 | 170 | 157.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 639 | V | 27.1 | Very low | 30.5 | Very low | 117 Ų | 117 | 119 Ų | 119 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | trans | 51.4 | 97.6 | 140.3 | -172.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 640 | T | 26.3 | Very low | 30.5 | Very low | 126 Ų | 126 | 118 Ų | 118 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | 81.8 | 154.9 | 132.9 | 88.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 641 | S | 26.6 | Very low | 29.9 | Very low | 105 Ų | 105 | 116.6 Ų | 116.6 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | 71.4 | 138.9 | 178.3 | 76.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 642 | C | 25.4 | Very low | 29.1 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | cis | -160.1 | 151.4 | -14.8 | 46.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 643 | S | 24.7 | Very low | 28.9 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | 67.5 | 154.1 | 147.1 | 56 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 644 | S | 27.6 | Very low | 28.6 | Very low | 102 Ų | 102 | 120 Ų | 120 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | 71.8 | 137.6 | 156.4 | 53 | 0 | 0 | 0 | 0 | 121 | ||||
| 645 | S | 28.6 | Very low | 28.3 | Very low | 100 Ų | 100 | 117.4 Ų | 117.4 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | trans | 56.7 | 104.8 | 157.3 | 42.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 646 | S | 28 | Very low | 28.1 | Very low | 108 Ų | 108 | 115 Ų | 115 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | cis | 82.9 | 178.7 | 39.7 | 88.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 647 | S | 29.3 | Very low | 27.4 | Very low | 102 Ų | 102 | 118.2 Ų | 118.2 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | 79.8 | 115.2 | 173.5 | -41.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 648 | S | 34.1 | Very low | 27.3 | Very low | 113 Ų | 113 | 120 Ų | 120 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | S | Bend | cis | -149.3 | 149.4 | 9.4 | -40.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 649 | S | 30.3 | Very low | 27.4 | Very low | 100 Ų | 100 | 117.3 Ų | 117.3 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | cis | -157.5 | 141.9 | 1.5 | -2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 650 | S | 28.4 | Very low | 27.7 | Very low | 119 Ų | 119 | 117.9 Ų | 117.9 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | 37.8 | 138.7 | 97.3 | 74.5 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 651 | S | 27.4 | Very low | 27.8 | Very low | 90 Ų | 90 | 115.3 Ų | 115.3 | 63% | 0.629 | 71% | 0.71 | S | S | * | * | cis | -150 | 154.3 | 12.3 | 63.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 652 | I | 24.1 | Very low | 28 | Very low | 137 Ų | 137 | 116 Ų | 116 | 70% | 0.703 | 71% | 0.705 | S | S | * | * | 44 | 98.4 | 71.4 | -52.4 | 174.3 | 0 | 0 | 0 | 112.9 | |||||
| 653 | F | 27.3 | Very low | 28.2 | Very low | 194 Ų | 194 | 117.4 Ų | 117.4 | 85% | 0.851 | 70% | 0.704 | S | S | * | * | -149.4 | 128.2 | 110.7 | -81.1 | -79.7 | 0 | 0 | 0 | 105 | |||||
| 654 | S | 25 | Very low | 29 | Very low | 82 Ų | 82 | 117.6 Ų | 117.6 | 57% | 0.573 | 71% | 0.705 | S | S | * | * | 82.4 | 122.7 | 52.1 | -62 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 655 | N | 24.9 | Very low | 29.7 | Very low | 132 Ų | 132 | 117.3 Ų | 117.3 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | trans | 69.4 | 139.5 | 146.1 | -80 | 55.1 | 0 | 0 | 0 | 122.3 | ||||
| 656 | D | 25.9 | Very low | 29.9 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | trans | 63 | 126.5 | 136.3 | -54.8 | -24.2 | 0 | 0 | 0 | 122.7 | ||||
| 657 | H | 26.4 | Very low | 30 | Very low | 169 Ų | 169 | 124.6 Ų | 124.6 | 78% | 0.782 | 70% | 0.701 | S | S | * | * | trans | 56 | 142.9 | 135.9 | -82.3 | -69.4 | 0 | 0 | 0 | 122.8 | ||||
| 658 | L | 28.5 | Very low | 30.2 | Very low | 169 Ų | 169 | 124.1 Ų | 124.1 | 89% | 0.885 | 70% | 0.703 | S | S | * | * | trans | 68.9 | 137.3 | 160.8 | -66 | 157.3 | 0 | 0 | 0 | 114.9 | ||||
| 659 | G | 29 | Very low | 30.1 | Very low | 67 Ų | 67 | 127.1 Ų | 127.1 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | trans | -102.4 | -153.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 660 | N | 33.2 | Very low | 30.2 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | trans | 80.3 | 90.6 | 166.4 | -94.7 | 16.3 | 0 | 0 | 0 | 118.6 | ||||
| 661 | L | 29.2 | Very low | 30.4 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 38% | 0.382 | 70% | 0.703 | S | S | . | * | 104.8 | 148 | 124.4 | -50.2 | -170.8 | 0 | 0 | 0 | 120.5 | V1036 | L661-V1036 HydrophobicContact CB-CG1 4.5Å; L661-V1036 HydrophobicContact CD1-CG1 4.19Å; L661-V1036 HydrophobicContact CD2-CB 4.27Å; L661-V1036 HydrophobicContact CD2-CG1 4.14Å; L661-V1036 HydrophobicContact CD2-CG2 4.43Å | |||
| 662 | L | 30.2 | Very low | 30.5 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 63% | 0.628 | 71% | 0.713 | S | S | * | * | trans | 84.6 | 94 | 157.2 | -66 | 167.5 | 0 | 0 | 0 | 121.5 | V1036 | L662-V1036 HydrophobicContact CD2-CG1 3.88Å; L662-V1036 HydrophobicContact CG-CG1 4.37Å | ||
| 663 | I | 30.5 | Very low | 31.4 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | 57.9 | 124.1 | 120.1 | -63.8 | 177 | 0 | 0 | 0 | 120 | |||||
| 664 | S | 41.4 | Very low | 31.6 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | trans | -91.2 | 138.9 | 167.2 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 665 | P | 42.9 | Very low | 32.1 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 62% | 0.617 | 72% | 0.719 | S | S | * | * | trans | -118.5 | 164.3 | 151.1 | 20.1 | -0.6 | 0 | 0 | 0 | 111.2 | ||||
| 666 | F | 31.4 | Very low | 32.9 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 70% | 0.697 | 72% | 0.724 | S | S | * | * | cis | -173.3 | 164.2 | -9.6 | -92 | -21.7 | 0 | 0 | 0 | 105.8 | ||||
| 667 | R | 31.3 | Very low | 33.2 | Very low | 202 Ų | 202 | 126.1 Ų | 126.1 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | cis | -167.9 | 156.5 | -4.3 | -103 | 161 | -169.4 | -168.2 | 0.9 | 105.7 | ||||
| 668 | A | 33.9 | Very low | 33.5 | Very low | 92 Ų | 92 | 125.8 Ų | 125.8 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | cis | -145.9 | -115.1 | -11.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 669 | K | 31.9 | Very low | 34 | Very low | 177 Ų | 177 | 123.5 Ų | 123.5 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | cis | -159.9 | 125.6 | -4.7 | -161.4 | -168.8 | -179 | -175.4 | 0 | 109.6 | ||||
| 670 | L | 31.3 | Very low | 34 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | 66.2 | 136.7 | 172.9 | -61.9 | 149.2 | 0 | 0 | 0 | 115.9 | ||||
| 671 | A | 33.5 | Very low | 33.9 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | cis | -154.1 | 159.5 | -10 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 672 | N | 27.9 | Very low | 34.1 | Very low | 158 Ų | 158 | 133 Ų | 133 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | -86.6 | 159.7 | 173.7 | -76.1 | -23.2 | 0 | 0 | 0 | 111.8 | ||||
| 673 | P | 43.7 | Very low | 34.2 | Very low | 131 Ų | 131 | 134 Ų | 134 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | -129.3 | 156.5 | 97.5 | 37.8 | -32.1 | 0 | 0 | 0 | 112.8 | |||||
| 674 | G | 32 | Very low | 34.2 | Very low | 58 Ų | 58 | 134.1 Ų | 134.1 | 60% | 0.598 | 76% | 0.759 | S | S | * | * | cis | 125.1 | 93.9 | 3.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 675 | P | 34.4 | Very low | 33.7 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -66.3 | 146.9 | 167.1 | 29.9 | -33.8 | 0 | 0 | 0 | 110.1 | ||
| 676 | P | 42.7 | Very low | 33.3 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 132.2 | -163.4 | 27.6 | -35.1 | 0 | 0 | 0 | 113.7 | ||
| 677 | P | 32.4 | Very low | 33.5 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 162.6 | 168.6 | 35.6 | -34.6 | 0 | 0 | 0 | 112.2 | ||
| 678 | I | 31.6 | Very low | 33.6 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 128.4 | 171 | -59.6 | 170.7 | 0 | 0 | 0 | 109.6 | ||
| 679 | P | 39.3 | Very low | 33.7 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 157.5 | 160.5 | 35.1 | -29.1 | 0 | 0 | 0 | 112.5 | ||
| 680 | L | 29.4 | Very low | 33.8 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | trans | -118.7 | 160.8 | -173.8 | -102.8 | 169.7 | 0 | 0 | 0 | 112.5 | ||||
| 681 | H | 32.3 | Very low | 34 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | trans | 64.3 | 151.9 | 174.5 | -83 | -105.3 | 0 | 0 | 0 | 115.8 | ||||
| 682 | Q | 32.4 | Very low | 34 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | cis | -151.9 | 121.6 | 23.1 | -163.1 | 169.8 | 12.6 | 0 | 0 | 108.2 | ||||
| 683 | Q | 31.3 | Very low | 34.2 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 66% | 0.659 | 77% | 0.771 | S | S | * | * | 85.8 | 94.3 | 62.1 | -170.5 | -168.2 | 35.9 | 0 | 0 | 115.7 | |||||
| 684 | V | 32.1 | Very low | 33.6 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -149.8 | 101.8 | 153.9 | 175.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 685 | R | 30.7 | Very low | 33.6 | Very low | 226 Ų | 226 | 131.8 Ų | 131.8 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | 72.3 | 138.9 | 103.8 | -104.9 | 179.4 | -163.9 | 172.1 | 5.3 | 114.5 | |||||
| 686 | I | 34.6 | Very low | 33.7 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | cis | -147.3 | 150.6 | 18.3 | -40.7 | 168.7 | 0 | 0 | 0 | 111.7 | ||||
| 687 | S | 34.4 | Very low | 33.1 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | trans | 64.8 | 142.8 | 152.5 | 49 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 688 | N | 33.3 | Very low | 33 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | cis | -161 | 150.2 | -10.2 | -114.3 | 5.2 | 0 | 0 | 0 | 112.4 | ||||
| 689 | S | 36.4 | Very low | 32.8 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | 36.7 | 135.6 | 154.1 | 57.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 690 | G | 34.3 | Very low | 32.4 | Very low | 71 Ų | 71 | 126.5 Ų | 126.5 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | cis | 140.1 | 165.2 | 13.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 691 | L | 35.4 | Very low | 32.4 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | cis | -163.5 | 152 | -8.3 | -89.2 | 176.5 | 0 | 0 | 0 | 109.5 | ||||
| 692 | N | 32.8 | Very low | 32.2 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 58.1 | 144.2 | 154 | -54.1 | -6.3 | 0 | 0 | 0 | 120.7 | ||||
| 693 | G | 32.1 | Very low | 32.1 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | cis | 103.1 | 132.3 | -0.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 694 | G | 32.2 | Very low | 31.9 | Very low | 67 Ų | 67 | 124.5 Ų | 124.5 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | cis | 166.7 | -172.6 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 695 | L | 32.5 | Very low | 31.6 | Very low | 126 Ų | 126 | 121.3 Ų | 121.3 | 66% | 0.66 | 73% | 0.725 | S | S | * | * | trans | 75.1 | 164.4 | 164.2 | -54.8 | 156.8 | 0 | 0 | 0 | 116.6 | P1047 | L695-P1047 HydrophobicContact CD2-CG 4.1Š| ||
| 696 | H | 34.6 | Very low | 31.5 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 55% | 0.546 | 71% | 0.712 | S | S | . | * | cis | -155.3 | 164.2 | 1.6 | -128.6 | -40.4 | 0 | 0 | 0 | 112.1 | ||||
| 697 | N | 30.5 | Very low | 31.2 | Very low | 139 Ų | 139 | 115.7 Ų | 115.7 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | 17.4 | 158.2 | 141.3 | -68.9 | 23.6 | 0 | 0 | 0 | 123.1 | ||||
| 698 | A | 30.3 | Very low | 31.1 | Very low | 76 Ų | 76 | 113.9 Ų | 113.9 | 63% | 0.628 | 69% | 0.693 | S | S | * | * | cis | -175.1 | 169.8 | -18 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 699 | S | 27.8 | Very low | 31 | Very low | 126 Ų | 126 | 113.9 Ų | 113.9 | 88% | 0.881 | 69% | 0.693 | S | S | * | * | trans | 48.4 | 119.4 | 153.7 | 59.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 700 | G | 30.8 | Very low | 30.6 | Very low | 77 Ų | 77 | 110.6 Ų | 110.6 | 79% | 0.794 | 68% | 0.677 | S | S | * | * | trans | 179.1 | 132.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 701 | V | 29.5 | Very low | 30.5 | Very low | 135 Ų | 135 | 110.7 Ų | 110.7 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -138.1 | 145.6 | -179.2 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 702 | Q | 27.4 | Very low | 30.3 | Very low | 161 Ų | 161 | 107.9 Ų | 107.9 | 75% | 0.752 | 66% | 0.66 | S | S | * | * | trans | 82.4 | 139.9 | 163.5 | -111.6 | 166.9 | -14.2 | 0 | 0 | 119.1 | ||||
| 703 | H | 30.5 | Very low | 30.1 | Very low | 148 Ų | 148 | 105.8 Ų | 105.8 | 69% | 0.685 | 66% | 0.657 | S | S | * | * | trans | 65.8 | 140.9 | 170.8 | -67.2 | -79.5 | 0 | 0 | 0 | 117.7 | ||||
| 704 | Q | 27.6 | Very low | 30.2 | Very low | 124 Ų | 124 | 109.6 Ų | 109.6 | 58% | 0.579 | 66% | 0.656 | S | S | * | * | cis | -164.9 | 153.2 | -22.3 | -144.4 | -178.9 | -34.4 | 0 | 0 | 109.8 | ||||
| 705 | T | 27.1 | Very low | 30.3 | Very low | 70 Ų | 70 | 113.2 Ų | 113.2 | 43% | 0.429 | 67% | 0.665 | S | S | . | * | trans | 42.6 | 112 | 141.4 | 48.2 | 0 | 0 | 0 | 0 | 122.7 | L753 | T705-L753 HydrophobicContact CG2-CD2 4.21Š| ||
| 706 | D | 28.2 | Very low | 30.1 | Very low | 109 Ų | 109 | 110.8 Ų | 110.8 | 58% | 0.583 | 67% | 0.67 | S | S | * | * | 141.4 | 155.1 | 105.9 | -73.7 | -1 | 0 | 0 | 0 | 123.7 | L753 | D706-L753 HydrophobicContact CB-CD1 4.04Å; D706-L753 WeakPolarHBondContact OD1-CD1 3.34Å; D706-L753 WeakPolarHBondContact OD1-CD2 3Å; D706-L753 WeakPolarHBondContact OD2-CD1 3.19Å | |||
| 707 | E | 28.6 | Very low | 30 | Very low | 140 Ų | 140 | 114.4 Ų | 114.4 | 65% | 0.654 | 69% | 0.69 | S | S | * | * | trans | 28 | 122.9 | 166.6 | -62.7 | -158.5 | 147.5 | 0 | 0 | 121.6 | L753 | E707-L753 HydrophobicContact CG-CD1 3.96Š| ||
| 708 | V | 30.9 | Very low | 30 | Very low | 59 Ų | 59 | 111 Ų | 111 | 36% | 0.358 | 69% | 0.688 | S | S | . | * | 77.7 | 102.3 | 63.5 | 178.7 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 709 | N | 31.6 | Very low | 30.4 | Very low | 151 Ų | 151 | 115.1 Ų | 115.1 | 81% | 0.807 | 70% | 0.699 | S | S | * | * | -160.4 | 178.8 | 124.9 | -117.8 | -65.1 | 0 | 0 | 0 | 111.6 | |||||
| 710 | G | 28.9 | Very low | 30.8 | Very low | 46 Ų | 46 | 114.9 Ų | 114.9 | 47% | 0.474 | 70% | 0.695 | S | S | . | * | trans | 168.2 | 164.3 | 171 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 711 | S | 31.3 | Very low | 31 | Very low | 74 Ų | 74 | 115.8 Ų | 115.8 | 52% | 0.517 | 70% | 0.695 | S | S | . | * | trans | -162 | 148.7 | 170.4 | -76.7 | 0 | 0 | 0 | 0 | 114.2 | R749 | S711-R749 PolarHBondContact OG-NH2 3.15Š| ||
| 712 | S | 32.1 | Very low | 31.2 | Very low | 92 Ų | 92 | 115.2 Ų | 115.2 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | trans | 52.9 | 100.4 | 146.7 | 59.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 713 | S | 28.5 | Very low | 31.6 | Very low | 103 Ų | 103 | 112 Ų | 112 | 72% | 0.72 | 69% | 0.692 | S | S | * | * | 46.7 | 126 | 121.7 | 64.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 714 | I | 33.8 | Very low | 31.8 | Very low | 160 Ų | 160 | 116 Ų | 116 | 82% | 0.821 | 70% | 0.701 | S | S | * | * | -165.7 | 151 | 101.4 | -101.3 | 166 | 0 | 0 | 0 | 112 | |||||
| 715 | V | 33.2 | Very low | 32 | Very low | 144 Ų | 144 | 115.9 Ų | 115.9 | 87% | 0.873 | 70% | 0.704 | S | S | * | * | trans | -12.1 | 132.4 | 167.3 | -173.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 716 | G | 30 | Very low | 32.3 | Very low | 74 Ų | 74 | 119.9 Ų | 119.9 | 76% | 0.763 | 72% | 0.718 | S | S | * | * | trans | 168.4 | 115.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 717 | M | 32.2 | Very low | 32.6 | Very low | 194 Ų | 194 | 121.5 Ų | 121.5 | 96% | 0.956 | 72% | 0.722 | S | S | * | * | trans | -46.1 | 136.8 | -175.8 | -67.9 | -173.7 | 145.2 | 0 | 0 | 118.9 | ||||
| 718 | G | 30.1 | Very low | 32.8 | Very low | 69 Ų | 69 | 121.8 Ų | 121.8 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | 68.7 | 98.9 | 106.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 719 | N | 38.2 | Very low | 33 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 87% | 0.866 | 75% | 0.748 | S | S | * | * | trans | 27.5 | 106.6 | 152.3 | -71.7 | 10.5 | 0 | 0 | 0 | 119.9 | ||||
| 720 | P | 36.2 | Very low | 33.2 | Very low | 121 Ų | 121 | 122.3 Ų | 122.3 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | -83.8 | 127.1 | 147.1 | 33.1 | -28.3 | 0 | 0 | 0 | 110.9 | ||||
| 721 | A | 35.1 | Very low | 33.8 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | trans | -66.6 | 155.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | S723 | A721-S723 PolarHBondContact O-N 3.07Š| ||
| 722 | S | 33.5 | Very low | 33.8 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -51.4 | 102.7 | -169 | -60.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 723 | S | 37.1 | Very low | 33.7 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | trans | 40.2 | 106.9 | 153.5 | 59.4 | 0 | 0 | 0 | 0 | 119.4 | A721 | A721-S723 PolarHBondContact O-N 3.07Š| ||
| 724 | R | 33.9 | Very low | 34.6 | Very low | 230 Ų | 230 | 135.7 Ų | 135.7 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | 58.3 | 138 | 137.1 | -69.4 | -172.8 | 154.5 | -156.8 | -3.8 | 118.7 | ||||
| 725 | L | 31.8 | Very low | 34.6 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | cis | -171.6 | 163.1 | 5 | -123.4 | 169.1 | 0 | 0 | 0 | 109.5 | ||||
| 726 | Q | 33.4 | Very low | 34.8 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | 70 | 140.8 | 164.9 | -61.9 | -179.1 | 15.3 | 0 | 0 | 116.9 | ||||
| 727 | H | 33.3 | Very low | 34.8 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | cis | -157.6 | 149 | -5.1 | -124.9 | -63.4 | 0 | 0 | 0 | 110.1 | ||||
| 728 | I | 32.9 | Very low | 35.4 | Very low | 146 Ų | 146 | 131 Ų | 131 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | 68.4 | 133.6 | 154.3 | -71.5 | 157.3 | 0 | 0 | 0 | 116.3 | ||||
| 729 | V | 36.5 | Very low | 35.5 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | cis | -151.5 | 167.8 | -1.1 | 111.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 730 | A | 35.5 | Very low | 35.3 | Very low | 85 Ų | 85 | 130.4 Ų | 130.4 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | trans | -127.2 | -149.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 731 | P | 40.7 | Very low | 35.2 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | cis | -120.4 | -150.5 | -3.2 | 36.4 | -12.5 | 0 | 0 | 0 | 111 | ||||
| 732 | K | 31.5 | Very low | 35.1 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | cis | -160 | 164.7 | 2.6 | -156.3 | -179.7 | 178.1 | -178.4 | 0 | 109.9 | ||||
| 733 | F | 30.9 | Very low | 35.1 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 83% | 0.829 | 73% | 0.727 | S | S | * | * | trans | -139.5 | 147.4 | 164.6 | -88 | -85.3 | 0 | 0 | 0 | 112.6 | ||||
| 734 | P | 47 | Very low | 35.2 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | -128.1 | -164.4 | 124.6 | 42.8 | -33.8 | 0 | 0 | 0 | 109 | |||||
| 735 | S | 34.1 | Very low | 34.9 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | cis | -160.9 | 174.4 | 0.1 | -141.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 736 | T | 36.8 | Very low | 34.8 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 61% | 0.613 | 73% | 0.733 | S | S | * | * | cis | -139.1 | 174.7 | 7.2 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 737 | R | 30.3 | Very low | 34.5 | Very low | 177 Ų | 177 | 133.2 Ų | 133.2 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | trans | -170.6 | 153.1 | 153.4 | -90.7 | -111 | 85.9 | -173.3 | 3.8 | 107.2 | M739 | R737-M739 VanDerWaalsContact CZ-N 3.32Å; R737-M739 VanDerWaalsContact CZ-O 3.3Å; R737-M739 PolarHBondContact NH1-O 3.45Å; R737-M739 VanDerWaalsContact NH2-N 3.11Å; R737-M739 PolarHBondContact NH2-O 3.06Å | ||
| 738 | P | 45.1 | Very low | 34.3 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | -114.8 | -159.6 | 63.5 | 24 | -3.5 | 0 | 0 | 0 | 110.5 | |||||
| 739 | M | 32.6 | Very low | 34.1 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 66% | 0.66 | 72% | 0.721 | S | S | * | * | cis | -146.1 | -179.1 | 16.6 | -72.3 | 172.2 | 62.1 | 0 | 0 | 110.3 | R737 | R737-M739 VanDerWaalsContact CZ-N 3.32Å; R737-M739 VanDerWaalsContact CZ-O 3.3Å; R737-M739 PolarHBondContact NH1-O 3.45Å; R737-M739 VanDerWaalsContact NH2-N 3.11Å; R737-M739 PolarHBondContact NH2-O 3.06Å | ||
| 740 | S | 33.1 | Very low | 33.7 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 59% | 0.594 | 72% | 0.717 | S | S | * | * | cis | -167.7 | 172.8 | -43.8 | 67 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 741 | Q | 34.1 | Very low | 34 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 89% | 0.893 | 71% | 0.709 | S | S | * | * | trans | 61.2 | 129.6 | 179.8 | -57 | -167 | 25.5 | 0 | 0 | 116.8 | ||||
| 742 | A | 32 | Very low | 34.1 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 69% | 0.694 | S | S | * | * | cis | -143.6 | 174.7 | -6.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 743 | I | 35.1 | Very low | 33.9 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 83% | 0.831 | 68% | 0.68 | S | S | * | * | trans | -142.2 | 162.9 | -160.6 | -70.8 | 165.5 | 0 | 0 | 0 | 105.3 | ||||
| 744 | P | 38.1 | Very low | 33.7 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 80% | 0.799 | 67% | 0.671 | S | S | * | * | cis | -132.7 | -177.4 | 17.6 | 13.9 | 14.9 | 0 | 0 | 0 | 118.2 | ||||
| 745 | H | 28.9 | Very low | 32.7 | Very low | 167 Ų | 167 | 125.2 Ų | 125.2 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | trans | -109.6 | -177.2 | 159.4 | -167 | -84.2 | 0 | 0 | 0 | 108.8 | ||||
| 746 | L | 28.4 | Very low | 32.5 | Very low | 139 Ų | 139 | 124.8 Ų | 124.8 | 73% | 0.728 | 67% | 0.674 | S | S | * | * | trans | 78.5 | 158.4 | 172.2 | -52.7 | 117.4 | 0 | 0 | 0 | 115.3 | ||||
| 747 | D | 27.9 | Very low | 32 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 67% | 0.674 | 69% | 0.686 | S | S | * | * | cis | -154.3 | 170.3 | 12.9 | -146 | -8.6 | 0 | 0 | 0 | 116.7 | ||||
| 748 | L | 29.6 | Very low | 32.5 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 54% | 0.539 | 69% | 0.69 | S | S | . | * | trans | 80.1 | 128.4 | 146.1 | -81.4 | 160.6 | 0 | 0 | 0 | 124 | ||||
| 749 | R | 28.8 | Very low | 31.8 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | trans | 85.1 | 78.8 | 149.4 | -67.3 | 172 | -178.3 | 145.9 | -1.6 | 121.1 | S711 | S711-R749 PolarHBondContact OG-NH2 3.15Š| ||
| 750 | K | 26.7 | Very low | 31.6 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | 42.9 | 154.8 | 115.1 | -80 | -159.4 | 170.8 | -174.7 | 0 | 122.9 | |||||
| 751 | P | 41.1 | Very low | 31.5 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 55% | 0.545 | 71% | 0.713 | S | S | . | * | trans | -123.4 | -136.1 | -149.6 | 42.3 | -21.9 | 0 | 0 | 0 | 110.8 | ||||
| 752 | P | 43.2 | Very low | 31.3 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 46% | 0.455 | 71% | 0.706 | S | S | . | * | cis | -128.9 | -168.3 | -25 | 28.2 | -3.1 | 0 | 0 | 0 | 113.8 | ||||
| 753 | L | 28 | Very low | 31.1 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 47% | 0.466 | 70% | 0.703 | S | S | . | * | 146.8 | 170.8 | 129.9 | -81.4 | 146.9 | 0 | 0 | 0 | 119.5 | T705 D706 E707 | T705-L753 HydrophobicContact CG2-CD2 4.21Å; D706-L753 HydrophobicContact CB-CD1 4.04Å; D706-L753 WeakPolarHBondContact OD1-CD1 3.34Å; D706-L753 WeakPolarHBondContact OD1-CD2 3Å; D706-L753 WeakPolarHBondContact OD2-CD1 3.19Å; E707-L753 HydrophobicContact CG-CD1 3.96Å | |||
| 754 | E | 26.2 | Very low | 30.7 | Very low | 137 Ų | 137 | 126.6 Ų | 126.6 | 64% | 0.64 | 70% | 0.696 | S | S | * | * | trans | -55 | 170.5 | -174.3 | -69.9 | -172.4 | 151.3 | 0 | 0 | 116.1 | ||||
| 755 | S | 27.3 | Very low | 30.3 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | cis | -168.9 | -165.1 | -33.8 | 71.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 756 | A | 28.4 | Very low | 30.3 | Very low | 84 Ų | 84 | 122.8 Ų | 122.8 | 69% | 0.694 | 70% | 0.696 | S | S | * | * | trans | -59.8 | 163.6 | -162.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 757 | L | 27.7 | Very low | 30.7 | Very low | 165 Ų | 165 | 122 Ų | 122 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | trans | 88 | 160.5 | 162.1 | -53.6 | 175.5 | 0 | 0 | 0 | 118.1 | ||||
| 758 | P | 40.8 | Very low | 30.6 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | -141 | 163 | -59.3 | 41.2 | -25.1 | 0 | 0 | 0 | 117.3 | |||||
| 759 | Q | 29.9 | Very low | 30.5 | Very low | 186 Ų | 186 | 123 Ų | 123 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | trans | 9.4 | 120.9 | 160.7 | -62.6 | -169.4 | -8.4 | 0 | 0 | 123.7 | ||||
| 760 | S | 27.4 | Very low | 30.3 | Very low | 110 Ų | 110 | 120.9 Ų | 120.9 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | -170 | 123 | 123 | 47.6 | 0 | 0 | 0 | 0 | 109 | |||||
| 761 | I | 31.5 | Very low | 30.3 | Very low | 152 Ų | 152 | 120.8 Ų | 120.8 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | 75.7 | 128.2 | 83.3 | -67.7 | 175.4 | 0 | 0 | 0 | 115.1 | |||||
| 762 | I | 29.5 | Very low | 29.6 | Very low | 144 Ų | 144 | 122.7 Ų | 122.7 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | 92.8 | 112.5 | 161.5 | -82.1 | 166.2 | 0 | 0 | 0 | 121.5 | ||||
| 763 | T | 27.8 | Very low | 28.8 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | trans | 47.3 | 119.4 | 144.3 | 69.4 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 764 | S | 28 | Very low | 28.8 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | 61.9 | 125.6 | 121 | 76.1 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 765 | T | 29.4 | Very low | 28.9 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | 56.6 | 104.6 | 134.9 | 59 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 766 | G | 28.1 | Very low | 29.1 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | -166.5 | 140.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 767 | P | 38.1 | Very low | 29 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | -100 | 171.1 | -169.3 | 39.8 | -36.9 | 0 | 0 | 0 | 114.1 | ||||
| 768 | V | 25.7 | Very low | 29.2 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 74 | 116.8 | 166.9 | -171.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 769 | V | 27.8 | Very low | 28.7 | Very low | 119 Ų | 119 | 127 Ų | 127 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | 19.1 | 126.2 | 142.1 | -174.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 770 | N | 24.8 | Very low | 28.7 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | 85.7 | 116.2 | 154.5 | -78.8 | -13.9 | 0 | 0 | 0 | 122.4 | ||||
| 771 | Q | 25.6 | Very low | 28.8 | Very low | 171 Ų | 171 | 124.9 Ų | 124.9 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | 81.7 | 146.1 | 132.3 | -66.2 | -177.1 | 34.2 | 0 | 0 | 123.5 | ||||
| 772 | S | 25.8 | Very low | 28.8 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | 109.5 | 175.5 | 147 | 82.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 773 | K | 27.5 | Very low | 29.3 | Very low | 193 Ų | 193 | 120.9 Ų | 120.9 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | trans | -135.9 | 159 | -150.3 | -58.8 | 178.4 | 178.9 | 179.6 | 0 | 113.9 | ||||
| 774 | S | 26.7 | Very low | 29.4 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | 63.5 | 109.2 | 137.7 | 62.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 775 | S | 28.2 | Very low | 29.5 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | 89.2 | 149.1 | 109.5 | 74.5 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 776 | V | 31.4 | Very low | 29.6 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | trans | 100.2 | 118.8 | 146 | 178.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 777 | N | 27.9 | Very low | 29.7 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | 61.8 | 156.1 | 150.3 | -69.9 | -5 | 0 | 0 | 0 | 123.4 | ||||
| 778 | A | 31.4 | Very low | 29.5 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | cis | -172.8 | 167 | -23.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 779 | S | 29.3 | Very low | 29.6 | Very low | 112 Ų | 112 | 121.3 Ų | 121.3 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | 75.5 | 154.6 | 154.8 | 84.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 780 | I | 30.9 | Very low | 29.7 | Very low | 150 Ų | 150 | 120.7 Ų | 120.7 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | cis | -140.9 | 152.7 | 4.8 | -61.5 | 173.3 | 0 | 0 | 0 | 110.5 | ||||
| 781 | S | 29.7 | Very low | 29.8 | Very low | 101 Ų | 101 | 119.2 Ų | 119.2 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 62.1 | 140.1 | 161.3 | 56.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 782 | S | 31.1 | Very low | 29.9 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | cis | 121.6 | 156.1 | -3.2 | 69.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 783 | P | 41.1 | Very low | 29.9 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | cis | -143.3 | 160.3 | -44.8 | 40.7 | -24.2 | 0 | 0 | 0 | 116.3 | ||||
| 784 | V | 29.8 | Very low | 29.9 | Very low | 108 Ų | 108 | 118.5 Ų | 118.5 | 66% | 0.655 | 74% | 0.744 | S | S | * | * | trans | 44.6 | 138.7 | 131.1 | 179.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 785 | N | 29.1 | Very low | 30 | Very low | 149 Ų | 149 | 117.9 Ų | 117.9 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -160.8 | 143.2 | 132.1 | -121 | -17.5 | 0 | 0 | 0 | 113.6 | ||||
| 786 | R | 31.2 | Very low | 30.2 | Very low | 154 Ų | 154 | 119 Ų | 119 | 58% | 0.581 | 75% | 0.747 | S | S | * | * | trans | -161.7 | 109.2 | 171.6 | -172.2 | -165.5 | -165.9 | -173.8 | 6.7 | 114.2 | E1009 N1012 | R786-E1009 PolarHBondContact N-OE1 2.89Å; R786-N1012 PolarHBondContact NH1-OD1 3.21Å | ||
| 787 | S | 31.3 | Very low | 30.2 | Very low | 78 Ų | 78 | 118.8 Ų | 118.8 | 55% | 0.545 | 75% | 0.746 | S | S | . | * | trans | -162.7 | 138.1 | 161.6 | 21.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 788 | S | 32.4 | Very low | 30.4 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | 26.7 | 143.4 | 144.8 | 59.7 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 789 | G | 28.3 | Very low | 30.4 | Very low | 73 Ų | 73 | 118.7 Ų | 118.7 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | 154.4 | 117 | 130.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 790 | A | 30.2 | Very low | 30.5 | Very low | 106 Ų | 106 | 119 Ų | 119 | 88% | 0.876 | 75% | 0.745 | S | S | * | * | trans | 25.9 | 153.4 | 141.3 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 791 | A | 27.4 | Very low | 30.6 | Very low | 98 Ų | 98 | 117.2 Ų | 117.2 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | cis | -167.9 | -166.4 | -13.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 792 | M | 26.8 | Very low | 30.7 | Very low | 181 Ų | 181 | 118.8 Ų | 118.8 | 89% | 0.892 | 75% | 0.746 | S | S | * | * | trans | -60.1 | 167.4 | 178.7 | -51.2 | -97.7 | -83.2 | 0 | 0 | 112.7 | ||||
| 793 | A | 26.6 | Very low | 30.9 | Very low | 74 Ų | 74 | 119 Ų | 119 | 61% | 0.612 | 74% | 0.743 | S | S | * | * | cis | -163.4 | -179.5 | 25.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 794 | F | 26.1 | Very low | 30.7 | Very low | 217 Ų | 217 | 119.2 Ų | 119.2 | 95% | 0.952 | 74% | 0.743 | S | S | * | * | trans | 70.2 | 167.4 | 165.6 | -83 | -82.7 | 0 | 0 | 0 | 118.9 | ||||
| 795 | A | 30.5 | Very low | 31.2 | Very low | 87 Ų | 87 | 119.4 Ų | 119.4 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | trans | -145.9 | -178.6 | -143.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 796 | V | 31.5 | Very low | 31.6 | Very low | 129 Ų | 129 | 118 Ų | 118 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | trans | 84 | 75.5 | 173.8 | -164.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 797 | T | 32.1 | Very low | 31.8 | Very low | 112 Ų | 112 | 115.9 Ų | 115.9 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | trans | 38.5 | 110.5 | 130.9 | 42.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 798 | T | 31.1 | Very low | 31.8 | Very low | 130 Ų | 130 | 118.3 Ų | 118.3 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | 63 | 137.6 | 127.5 | 59.4 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 799 | S | 30.8 | Very low | 31.9 | Very low | 98 Ų | 98 | 117.4 Ų | 117.4 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | cis | -161.8 | -140.6 | -4.4 | 49.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 800 | T | 31.7 | Very low | 32.1 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | cis | -156.9 | 179 | 10.9 | -22 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 801 | T | 33.6 | Very low | 32.7 | Very low | 111 Ų | 111 | 120.6 Ų | 120.6 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | trans | -46.4 | 160.4 | 174 | 49.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 802 | T | 32.2 | Very low | 32.7 | Very low | 134 Ų | 134 | 121.9 Ų | 121.9 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -159.4 | 146.5 | 139.3 | -3 | 0 | 0 | 0 | 0 | 111 | ||||
| 803 | T | 34.4 | Very low | 33 | Very low | 110 Ų | 110 | 118.2 Ų | 118.2 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | cis | -98 | -82.2 | -18 | -49.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 804 | T | 37.7 | Very low | 33 | Very low | 112 Ų | 112 | 120.2 Ų | 120.2 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | cis | -172.6 | 135.3 | -18.1 | 2.2 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 805 | T | 41 | Very low | 33.1 | Very low | 113 Ų | 113 | 115.7 Ų | 115.7 | 69% | 0.693 | 73% | 0.732 | S | S | * | * | cis | -169.3 | 167.6 | -15 | 9.1 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 806 | T | 37.1 | Very low | 33.1 | Very low | 118 Ų | 118 | 117.5 Ų | 117.5 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | cis | -166.3 | 153.1 | 15 | -1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 807 | T | 34.6 | Very low | 32.9 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | cis | -156.9 | 171.5 | 1.5 | -26.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 808 | T | 32.5 | Very low | 32.8 | Very low | 130 Ų | 130 | 118.7 Ų | 118.7 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | trans | 59.7 | 130.8 | 161.9 | 51.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 809 | S | 34.1 | Very low | 32.6 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | cis | -151.6 | 119.2 | 1.8 | 49.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 810 | V | 31.9 | Very low | 32.6 | Very low | 142 Ų | 142 | 119.6 Ų | 119.6 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | 87.5 | 135.7 | 83 | 162.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 811 | P | 42.3 | Very low | 32.4 | Very low | 103 Ų | 103 | 119.5 Ų | 119.5 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | trans | -142 | -139.9 | -140 | 43.2 | -20.5 | 0 | 0 | 0 | 114.3 | ||||
| 812 | T | 29.2 | Very low | 32.3 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | trans | 69.9 | 155.8 | 167.3 | 35.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 813 | S | 32 | Very low | 32.1 | Very low | 105 Ų | 105 | 118.5 Ų | 118.5 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | cis | -141.1 | 153.1 | 8.3 | 46.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 814 | T | 27.6 | Very low | 31.8 | Very low | 115 Ų | 115 | 119.3 Ų | 119.3 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | 79.3 | 122.3 | 54.2 | -29.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 815 | T | 27.4 | Very low | 31.2 | Very low | 122 Ų | 122 | 118.3 Ų | 118.3 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | 89.1 | 154.4 | 156.9 | -12.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 816 | T | 31.5 | Very low | 30.6 | Very low | 125 Ų | 125 | 121.2 Ų | 121.2 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | trans | 68.6 | 128.2 | 179.1 | 64.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 817 | V | 26.3 | Very low | 30.2 | Very low | 133 Ų | 133 | 121 Ų | 121 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | cis | 73.5 | 100 | 25.9 | -169.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 818 | T | 30.3 | Very low | 29.8 | Very low | 134 Ų | 134 | 124.5 Ų | 124.5 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | -176.5 | 154.1 | 127.8 | -74.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 819 | T | 27.3 | Very low | 29.6 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | -96.3 | 136.1 | -179.9 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 820 | V | 30.6 | Very low | 29.3 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | -157.5 | 121.8 | 137.9 | -162.4 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 821 | T | 27.3 | Very low | 29.1 | Very low | 117 Ų | 117 | 123 Ų | 123 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | 68.9 | 144.9 | 61.6 | -30.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 822 | T | 30.6 | Very low | 28.5 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | trans | 62.2 | 143.8 | 165.3 | 37.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 823 | T | 28.1 | Very low | 28.5 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | cis | -174.1 | 154.5 | -26 | 12.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 824 | T | 29.5 | Very low | 28.5 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | trans | 58.8 | 171.7 | 157.6 | 52.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 825 | S | 25.3 | Very low | 28.6 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | cis | -158.7 | 161.1 | -42.6 | -91.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 826 | E | 28.2 | Very low | 28.5 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | 64 | 109.1 | 152.9 | -74.3 | 155.8 | -124.8 | 0 | 0 | 122.1 | ||||
| 827 | V | 27.1 | Very low | 28.6 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | 27.2 | 117.4 | 125.3 | -155.8 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 828 | F | 26.8 | Very low | 28.8 | Very low | 183 Ų | 183 | 131.5 Ų | 131.5 | 80% | 0.803 | 74% | 0.736 | S | S | * | * | -174.5 | 134.7 | 103.8 | -110.6 | -79.6 | 0 | 0 | 0 | 115.7 | |||||
| 829 | N | 28 | Very low | 28.9 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 67% | 0.674 | 73% | 0.73 | S | S | * | * | trans | 29.2 | 112.9 | 151.9 | -73.9 | 5.5 | 0 | 0 | 0 | 123.5 | ||||
| 830 | S | 27.8 | Very low | 29 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | 40 | 131.1 | 116.9 | 71.2 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 831 | N | 28.9 | Very low | 29 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | -168.9 | 138.8 | 100.8 | -102 | -53.2 | 0 | 0 | 0 | 113.4 | |||||
| 832 | F | 28.3 | Very low | 29 | Very low | 217 Ų | 217 | 132.9 Ų | 132.9 | 95% | 0.952 | 73% | 0.732 | S | S | * | * | trans | -147.7 | 144 | 139.2 | -130.6 | -84.6 | 0 | 0 | 0 | 109.3 | ||||
| 833 | T | 30.3 | Very low | 28.8 | Very low | 90 Ų | 90 | 132.4 Ų | 132.4 | 55% | 0.552 | 73% | 0.733 | S | S | * | * | trans | -139.8 | 132.1 | -153.5 | -46.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 834 | R | 31 | Very low | 28.9 | Very low | 222 Ų | 222 | 130.7 Ų | 130.7 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | 167.7 | 123.4 | 143.1 | -93.5 | 163.9 | 178.6 | -118.2 | -2.9 | 109.3 | ||||
| 835 | Q | 30.3 | Very low | 28.9 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | 80.7 | 91 | 68.3 | -73.8 | -178.2 | -21.1 | 0 | 0 | 115.2 | |||||
| 836 | S | 25.7 | Very low | 29.1 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | 17.7 | 130.8 | 129.6 | 58.7 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 837 | A | 32.2 | Very low | 29.3 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | 148.7 | 133.3 | 111.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 838 | T | 31.2 | Very low | 29.5 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 57 | 106.8 | 147.1 | 55.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 839 | S | 31.8 | Very low | 29.6 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | 81.4 | 124.6 | 119.9 | 70.7 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 840 | N | 30.6 | Very low | 30.1 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | 90.8 | 102.6 | 134.3 | -69.5 | -1.3 | 0 | 0 | 0 | 123.6 | ||||
| 841 | L | 29.5 | Very low | 30.2 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | 77.2 | 124.1 | 119.2 | -64.3 | 167 | 0 | 0 | 0 | 122.5 | |||||
| 842 | L | 27.6 | Very low | 30.2 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | 74.1 | 113.7 | 141.5 | -103.9 | 70.9 | 0 | 0 | 0 | 122.5 | ||||
| 843 | S | 27.6 | Very low | 30.1 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | 44.9 | 141.1 | 123.4 | 67.6 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 844 | G | 28.5 | Very low | 30 | Very low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | cis | 175.1 | -159.8 | 7.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 845 | F | 30.3 | Very low | 29.7 | Very low | 207 Ų | 207 | 134.1 Ų | 134.1 | 91% | 0.908 | 76% | 0.763 | S | S | * | * | trans | -86 | 162.3 | -163.9 | -72.3 | -97.5 | 0 | 0 | 0 | 115.6 | ||||
| 846 | N | 29.9 | Very low | 29.6 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -149.8 | 151.1 | 158 | -93.4 | -40.4 | 0 | 0 | 0 | 110 | ||||
| 847 | N | 32.7 | Very low | 29.7 | Very low | 133 Ų | 133 | 136 Ų | 136 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | -170.1 | 161 | -36.1 | -135.2 | -42.9 | 0 | 0 | 0 | 111 | ||||
| 848 | R | 30.4 | Very low | 29.4 | Very low | 234 Ų | 234 | 135.3 Ų | 135.3 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | 157.5 | 133.6 | 148.3 | -91.6 | -167.9 | 174.3 | -162.7 | -2.6 | 109.3 | ||||
| 849 | S | 30.1 | Very low | 29.4 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | cis | -150.3 | 164.4 | -1.7 | -88.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 850 | P | 36.7 | Very low | 29.2 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -106.7 | -167.5 | -174.1 | 42.7 | -37 | 0 | 0 | 0 | 115 | ||||
| 851 | A | 31.1 | Very low | 29.3 | Very low | 87 Ų | 87 | 138.3 Ų | 138.3 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | trans | 86.1 | 145.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 852 | H | 28.8 | Very low | 29.4 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | cis | -122.3 | -175.9 | 16.8 | -115.8 | -91.5 | 0 | 0 | 0 | 115.4 | ||||
| 853 | Q | 25.3 | Very low | 29.7 | Very low | 171 Ų | 171 | 133 Ų | 133 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -128.1 | 178.9 | -171.9 | -169.6 | -171.3 | 50.2 | 0 | 0 | 109.8 | ||||
| 854 | I | 29.4 | Very low | 30 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 107.7 | 156.6 | 161 | -58.4 | 155.7 | 0 | 0 | 0 | 115 | ||||
| 855 | S | 24.4 | Very low | 30.2 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -123.4 | -173.7 | -168.1 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 856 | L | 28.6 | Very low | 30.3 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | 87.8 | 120.9 | 165.1 | -60.9 | 166.2 | 0 | 0 | 0 | 119.7 | ||||
| 857 | V | 27 | Very low | 30.4 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | trans | 69.8 | 137.3 | 136.9 | 178.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 858 | G | 27 | Very low | 30.4 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 76% | 0.763 | 75% | 0.745 | S | S | * | * | trans | 163.4 | 51.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 859 | E | 29.2 | Very low | 30.4 | Very low | 173 Ų | 173 | 128 Ų | 128 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | trans | -53.6 | 164.9 | 163.6 | -67.2 | -165.5 | 88.3 | 0 | 0 | 114.2 | ||||
| 860 | N | 28.4 | Very low | 30.5 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | cis | -171.1 | -170.5 | -17.4 | -110.7 | -40.7 | 0 | 0 | 0 | 108.6 | ||||
| 861 | V | 32.6 | Very low | 30.3 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | 120.2 | 123.7 | 135 | -177.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 862 | S | 30.9 | Very low | 30.4 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | 78.4 | 139.2 | 155.1 | -89.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 863 | T | 34.8 | Very low | 30.5 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 49% | 0.491 | 73% | 0.727 | S | S | . | * | cis | -170.8 | 170.7 | -25.9 | 17.3 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 864 | K | 33.2 | Very low | 30.8 | Very low | 173 Ų | 173 | 122.2 Ų | 122.2 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | cis | -136.5 | 161.7 | 21.6 | -82 | 86.2 | -167.8 | 149.2 | 0 | 107.7 | ||||
| 865 | N | 33 | Very low | 30.9 | Very low | 123 Ų | 123 | 119.6 Ų | 119.6 | 66% | 0.658 | 71% | 0.706 | S | S | * | * | cis | 104.2 | 118.8 | 21.5 | -70.9 | 22.6 | 0 | 0 | 0 | 114.8 | ||||
| 866 | I | 32.9 | Very low | 31.2 | Very low | 160 Ų | 160 | 119.6 Ų | 119.6 | 82% | 0.821 | 71% | 0.705 | S | S | * | * | trans | -179.3 | 89.8 | 135 | -90.6 | 154 | 0 | 0 | 0 | 104.7 | ||||
| 867 | T | 31.9 | Very low | 31.3 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 64% | 0.638 | 70% | 0.702 | S | S | * | * | 71.3 | 145.5 | 83.3 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 868 | T | 32.9 | Very low | 31.4 | Very low | 109 Ų | 109 | 118.5 Ų | 118.5 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | cis | -164.5 | 145.3 | 19.7 | -11.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 869 | T | 30.7 | Very low | 31.5 | Very low | 125 Ų | 125 | 122 Ų | 122 | 77% | 0.767 | 70% | 0.695 | S | S | * | * | trans | 57.3 | 147.3 | 144.3 | 54.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 870 | V | 31.4 | Very low | 31.5 | Very low | 133 Ų | 133 | 117.7 Ų | 117.7 | 81% | 0.806 | 68% | 0.684 | S | S | * | * | cis | -164.5 | 151.4 | -0.6 | 115.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 871 | A | 33.4 | Very low | 31.6 | Very low | 77 Ų | 77 | 119.5 Ų | 119.5 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | trans | 54.1 | 109.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 872 | N | 32.2 | Very low | 31.4 | Very low | 149 Ų | 149 | 121.1 Ų | 121.1 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | 60.7 | 112.3 | 115.4 | -56.5 | 0.4 | 0 | 0 | 0 | 125.9 | |||||
| 873 | N | 31.1 | Very low | 31.3 | Very low | 103 Ų | 103 | 122 Ų | 122 | 55% | 0.551 | 69% | 0.685 | S | S | * | * | trans | 38.9 | 134.4 | 130.8 | -58.7 | 2.7 | 0 | 0 | 0 | 123.9 | S1538 G1539 | N873-S1538 PolarHBondContact ND2-O 3.25Å; N873-G1539 PolarHBondContact ND2-N 3.28Å | ||
| 874 | S | 31.1 | Very low | 31 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | 157.3 | 103.2 | 110.3 | -70.5 | 0 | 0 | 0 | 0 | 118 | G1539 | S874-G1539 CarbonylContact C-O 3.47Å; S874-G1539 WeakPolarHBondContact CA-O 3.44Å; S874-G1539 PolarHBondContact N-O 3.16Å | |||
| 875 | T | 32.5 | Very low | 30.8 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 58% | 0.577 | 69% | 0.694 | S | S | * | * | trans | 68.3 | -174.8 | 151.2 | 9.1 | 0 | 0 | 0 | 0 | 119.9 | S1538 G1539 | T875-S1538 VanDerWaalsContact CG2-OG 3.23Å; T875-S1538 WeakPolarHBondContact CG2-OG 3.45Å; T875-S1538 WeakPolarHBondContact OG1-CB 3.45Å; T875-S1538 PolarHBondContact OG1-OG 3.46Å; T875-G1539 PolarHBondContact N-O 3.32Å; T875-G1539 VanDerWaalsContact N-O 3.12Å | ||
| 876 | C | 31 | Very low | 30.6 | Very low | 102 Ų | 102 | 123.5 Ų | 123.5 | 69% | 0.689 | 70% | 0.701 | S | S | * | * | trans | -148.5 | 155 | -146.5 | 56.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 877 | I | 30.4 | Very low | 30.2 | Very low | 147 Ų | 147 | 123.6 Ų | 123.6 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | trans | 159.8 | 125.8 | 134.3 | -84.9 | 163.7 | 0 | 0 | 0 | 112.3 | ||||
| 878 | N | 28.7 | Very low | 30.5 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | trans | 37.9 | 130.2 | 152 | -58.2 | -4.1 | 0 | 0 | 0 | 124.2 | ||||
| 879 | N | 28.9 | Very low | 30.2 | Very low | 147 Ų | 147 | 126 Ų | 126 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | trans | 64.6 | 142.8 | 130.2 | -64.6 | 0.5 | 0 | 0 | 0 | 121 | ||||
| 880 | S | 29 | Very low | 30.2 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 57% | 0.573 | 70% | 0.695 | S | S | * | * | cis | -173.1 | 165.9 | -9.7 | 46.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 881 | H | 30 | Very low | 30 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 78% | 0.778 | 70% | 0.695 | S | S | * | * | trans | 78 | 148.6 | 154.9 | -68.4 | -27.3 | 0 | 0 | 0 | 119.2 | ||||
| 882 | K | 28.6 | Very low | 29.8 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | cis | -172.7 | 174.4 | -20.2 | -165.1 | -179.7 | 179.5 | -175.1 | 0 | 108.3 | ||||
| 883 | V | 29 | Very low | 29.6 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 71% | 0.709 | 70% | 0.701 | S | S | * | * | trans | 72 | 134.1 | 161.5 | -179.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 884 | H | 29.7 | Very low | 29.4 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 75% | 0.75 | 71% | 0.713 | S | S | * | * | cis | -163.3 | 176.4 | -30.7 | -101 | -48.6 | 0 | 0 | 0 | 105.6 | ||||
| 885 | S | 28.6 | Very low | 29.2 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | cis | -140 | -156.9 | 17.7 | 53.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 886 | N | 29.3 | Very low | 28.9 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | cis | -152.2 | -168.8 | 0.4 | -150.6 | 5.4 | 0 | 0 | 0 | 111.9 | ||||
| 887 | Q | 24.2 | Very low | 28.6 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -142.7 | -178.4 | 170.9 | -107.1 | -172.1 | 0.4 | 0 | 0 | 108.9 | ||||
| 888 | P | 38 | Very low | 28.5 | Very low | 105 Ų | 105 | 147.5 Ų | 147.5 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | cis | -115.8 | -153.5 | -13.5 | 28.5 | -4.9 | 0 | 0 | 0 | 109.6 | ||||
| 889 | E | 25.8 | Very low | 28.5 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | cis | -167.4 | -178 | 22.7 | -154 | -175.1 | -140.5 | 0 | 0 | 112.2 | ||||
| 890 | L | 31.2 | Very low | 28.4 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 60% | 0.602 | 77% | 0.765 | S | S | * | * | trans | 79 | 96 | 155.4 | -64.6 | 173.8 | 0 | 0 | 0 | 121.8 | ||||
| 891 | R | 27.2 | Very low | 28.2 | Very low | 213 Ų | 213 | 154.8 Ų | 154.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | 86.7 | 118.3 | 111.6 | -93.7 | -170.7 | -174.6 | 142.2 | 0.3 | 123.2 | |||||
| 892 | T | 29.3 | Very low | 28.1 | Very low | 109 Ų | 109 | 155.3 Ų | 155.3 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | 83 | 123.4 | 133 | 35.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 893 | R | 27.6 | Very low | 28.1 | Very low | 235 Ų | 235 | 154.9 Ų | 154.9 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | 37.7 | 110.4 | 128.5 | -63.1 | 175.9 | 179.1 | 174 | -0.8 | 117.4 | |||||
| 894 | A | 26.4 | Very low | 28.2 | Very low | 97 Ų | 97 | 155 Ų | 155 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | 71.2 | 134.5 | 57.4 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 895 | S | 28.4 | Very low | 28.2 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -155.3 | 146.7 | 146 | -87.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 896 | K | 25.2 | Very low | 28.2 | Very low | 204 Ų | 204 | 153 Ų | 153 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | -89.8 | 137.3 | 173.3 | -58.1 | 168.6 | -177.1 | 171.7 | 0 | 108.6 | ||||
| 897 | Q | 25.5 | Very low | 28.4 | Very low | 186 Ų | 186 | 152 Ų | 152 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | -172.9 | 129.1 | 122.1 | -103.7 | -178.3 | 33.1 | 0 | 0 | 110.2 | |||||
| 898 | L | 28.5 | Very low | 29.3 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -132.7 | 87.9 | 166.9 | -108.5 | 167.3 | 0 | 0 | 0 | 107.5 | ||||
| 899 | S | 28.7 | Very low | 28.9 | Very low | 101 Ų | 101 | 151.4 Ų | 151.4 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -74 | 129.1 | 165.9 | 53.6 | 0 | 0 | 0 | 0 | 109.1 | R901 | S899-R901 PolarHBondContact O-N 3.3Š| ||
| 900 | N | 26 | Very low | 29 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -54.1 | 129.1 | 179.7 | -81.5 | -21.1 | 0 | 0 | 0 | 112.8 | ||||
| 901 | R | 24.8 | Very low | 28.8 | Very low | 248 Ų | 248 | 154.5 Ų | 154.5 | 94% | 0.936 | 81% | 0.808 | S | S | * | * | trans | -153.8 | 78.6 | 148.5 | -122.5 | 178.7 | -172.5 | -160.5 | 0.8 | 112.5 | S899 | S899-R901 PolarHBondContact O-N 3.3Š| ||
| 902 | Q | 28 | Very low | 28.9 | Very low | 179 Ų | 179 | 152.5 Ų | 152.5 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -76.6 | 124.5 | 150.3 | -72.5 | -178.1 | -17 | 0 | 0 | 108 | ||||
| 903 | N | 29.3 | Very low | 28.8 | Very low | 151 Ų | 151 | 155.6 Ų | 155.6 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | -159.2 | 154 | 88.7 | -113.7 | -15.5 | 0 | 0 | 0 | 112.3 | |||||
| 904 | S | 30.2 | Very low | 29.3 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -98.8 | 170.5 | -178.3 | 50.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 905 | G | 30.7 | Very low | 29.3 | Very low | 74 Ų | 74 | 151.8 Ų | 151.8 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 157.9 | 97.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 906 | V | 28.5 | Very low | 29.2 | Very low | 143 Ų | 143 | 153.2 Ų | 153.2 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -147.8 | 130.5 | 174.5 | 167.3 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 907 | V | 32.1 | Very low | 29.2 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | cis | -150.9 | 165.4 | 4 | 104.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 908 | P | 43.7 | Very low | 29.2 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | trans | -114.2 | 170.7 | -175.7 | 41.2 | -31.5 | 0 | 0 | 0 | 115.5 | ||||
| 909 | Q | 30.4 | Very low | 29.1 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 71% | 0.71 | 76% | 0.759 | S | S | * | * | trans | 160 | 153.9 | 148 | -91.2 | 174.6 | 98.3 | 0 | 0 | 109.6 | ||||
| 910 | R | 28 | Very low | 29.1 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | cis | -158.7 | 170.6 | 2.5 | -138 | -177.5 | -133.2 | -147.3 | 3.6 | 111 | ||||
| 911 | L | 26.3 | Very low | 29.1 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | trans | 82.9 | 136.9 | 151.6 | -73.6 | 158.6 | 0 | 0 | 0 | 122.3 | ||||
| 912 | H | 29.5 | Very low | 29.2 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | 68.7 | 152.6 | 161.4 | -77.2 | -73.9 | 0 | 0 | 0 | 123.7 | ||||
| 913 | H | 27.6 | Very low | 29.6 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | trans | -115.7 | 174.7 | -174.4 | -97.7 | 49.9 | 0 | 0 | 0 | 108.2 | ||||
| 914 | P | 38.3 | Very low | 29.5 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | cis | -142.4 | -173.3 | -21 | 37.4 | -17.4 | 0 | 0 | 0 | 115.3 | ||||
| 915 | H | 26.5 | Very low | 29.3 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | 60 | 131 | 145.1 | -84.7 | -71.8 | 0 | 0 | 0 | 123.5 | ||||
| 916 | H | 26 | Very low | 29.2 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | 64.9 | 146.9 | 145.8 | -71.7 | -56.5 | 0 | 0 | 0 | 120.5 | ||||
| 917 | L | 24.1 | Very low | 29.1 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 64% | 0.644 | 72% | 0.717 | S | S | * | * | cis | -166.2 | 140.2 | -20.5 | -174.9 | 75.8 | 0 | 0 | 0 | 109.7 | ||||
| 918 | H | 26.6 | Very low | 29 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | trans | 64.9 | 161.8 | 159.7 | -80.5 | 4.5 | 0 | 0 | 0 | 117 | ||||
| 919 | Q | 24.8 | Very low | 28.1 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 67% | 0.673 | 72% | 0.72 | S | S | * | * | cis | -150.3 | 172.3 | 2.1 | -137.2 | 171.3 | 37.7 | 0 | 0 | 111.1 | ||||
| 920 | Q | 28.9 | Very low | 27.9 | Very low | 164 Ų | 164 | 147 Ų | 147 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | 68.8 | 135.3 | 170.8 | -59.5 | 171.2 | 18.7 | 0 | 0 | 115.5 | ||||
| 921 | N | 27.8 | Very low | 27.9 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | cis | -121.2 | 156.8 | -5.6 | -64.8 | -62.3 | 0 | 0 | 0 | 108.8 | ||||
| 922 | N | 25.3 | Very low | 27.9 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | cis | 72.2 | 144.5 | 34.4 | -113 | 27.1 | 0 | 0 | 0 | 114.9 | ||||
| 923 | P | 37.9 | Very low | 27.8 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 58% | 0.578 | 73% | 0.73 | S | S | * | * | -142.9 | -163.4 | -108 | 41.3 | -20.6 | 0 | 0 | 0 | 115.3 | |||||
| 924 | N | 26 | Very low | 28 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | 74.3 | 155.4 | 163.7 | -61.9 | -13.1 | 0 | 0 | 0 | 116 | ||||
| 925 | H | 26.1 | Very low | 27.6 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | cis | -152.2 | 176 | 10.2 | -138.8 | -57.5 | 0 | 0 | 0 | 111.8 | ||||
| 926 | I | 28 | Very low | 27.7 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 67% | 0.672 | 73% | 0.73 | S | S | * | * | trans | 92.6 | 103.1 | 144.7 | -79.8 | 163.3 | 0 | 0 | 0 | 119.3 | ||||
| 927 | I | 28 | Very low | 27.8 | Very low | 137 Ų | 137 | 142 Ų | 142 | 70% | 0.703 | 73% | 0.728 | S | S | * | * | trans | 74.4 | 140.5 | 130.7 | -66.3 | -175.6 | 0 | 0 | 0 | 118 | ||||
| 928 | K | 28.5 | Very low | 28 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | cis | -138.9 | 150.3 | 18.2 | -143.8 | 143.8 | -158.3 | 176.3 | 0 | 113.7 | ||||
| 929 | K | 25.4 | Very low | 28.2 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | -43 | 145.3 | 174.9 | -57.2 | -176.9 | 164.4 | -143.8 | 0 | 117 | E932 | K929-E932 IonicContact NZ-OE2 3.36Å; K929-E932 PolarHBondContact NZ-OE2 3.29Å | ||
| 930 | S | 26.1 | Very low | 28.3 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | trans | -160.4 | 47.3 | 148.4 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 931 | E | 27.3 | Very low | 28.2 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | trans | -145.9 | 39.9 | -174.9 | -143.9 | 164.1 | -129.7 | 0 | 0 | 114.1 | ||||
| 932 | E | 26.5 | Very low | 28.2 | Very low | 143 Ų | 143 | 139 Ų | 139 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | trans | -135.1 | 63.3 | 176.2 | -72 | -176.6 | 119.4 | 0 | 0 | 111 | K929 | K929-E932 IonicContact NZ-OE2 3.36Å; K929-E932 PolarHBondContact NZ-OE2 3.29Å | ||
| 933 | L | 29 | Very low | 28.5 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -143.4 | -33.7 | 175.4 | -114.7 | 159.7 | 0 | 0 | 0 | 114.9 | ||
| 934 | D | 30.1 | Very low | 28.2 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -84.6 | -13.6 | -179.9 | -64.8 | -59.9 | 0 | 0 | 0 | 114.8 | ||
| 935 | Q | 30.5 | Very low | 28.3 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -85.6 | -15 | 175.3 | -66.6 | -172.4 | 6.8 | 0 | 0 | 113.6 | A937 | Q935-A937 VanDerWaalsContact C-N 3.32Š|
| 936 | L | 28.7 | Very low | 28.7 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 60% | 0.602 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -16.9 | 175.3 | -106.2 | 161.2 | 0 | 0 | 0 | 113.3 | A938 | L936-A938 VanDerWaalsContact C-N 3.32Š|
| 937 | A | 27.5 | Very low | 29 | Very low | 84 Ų | 84 | 136.2 Ų | 136.2 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -11.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q935 | Q935-A937 VanDerWaalsContact C-N 3.32Š|
| 938 | A | 29.6 | Very low | 29.4 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -111.4 | 1.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L936 | L936-A938 VanDerWaalsContact C-N 3.32Š|
| 939 | Q | 30 | Very low | 29.5 | Very low | 154 Ų | 154 | 130 Ų | 130 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -112.1 | 5.2 | -177 | -65.6 | -171.4 | -2.8 | 0 | 0 | 114.3 | ||
| 940 | L | 27.6 | Very low | 30.1 | Very low | 149 Ų | 149 | 127 Ų | 127 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -111.9 | 43.3 | -178.6 | -71 | 172.6 | 0 | 0 | 0 | 112.8 | ||
| 941 | T | 26.8 | Very low | 30.4 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -145.1 | 30.7 | -175.7 | -13.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 942 | N | 28.2 | Very low | 30.5 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | trans | -147.6 | 41.8 | -179.3 | -116.1 | -23.2 | 0 | 0 | 0 | 116 | ||||
| 943 | L | 30.2 | Very low | 31 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 94% | 0.942 | 75% | 0.751 | S | S | * | * | trans | -138.9 | 138.8 | 152.1 | -70.2 | 176.7 | 0 | 0 | 0 | 108 | ||||
| 944 | G | 32.6 | Very low | 31.1 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | cis | 142.6 | 63.4 | 1.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 945 | A | 28 | Very low | 31 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | -74.4 | 139.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 946 | V | 34.6 | Very low | 30.9 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -165.6 | 148.9 | 148.8 | 130.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 947 | S | 34.6 | Very low | 31 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -76.7 | 166.1 | -177.8 | -50.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 948 | P | 34.8 | Very low | 31.1 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | trans | -96.7 | 151.6 | -163.2 | 36.4 | -35.8 | 0 | 0 | 0 | 116.6 | ||||
| 949 | S | 31.4 | Very low | 31.3 | Very low | 88 Ų | 88 | 140.1 Ų | 140.1 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | 75.1 | 164.1 | 143.9 | -67.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 950 | P | 38.1 | Very low | 31.3 | Very low | 100 Ų | 100 | 140 Ų | 140 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | -143.1 | 154.3 | -54.2 | 39.2 | -24 | 0 | 0 | 0 | 114.4 | |||||
| 951 | H | 33.1 | Very low | 31.4 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | 173.4 | 167.5 | 141.2 | -101.2 | 51.6 | 0 | 0 | 0 | 110.8 | ||||
| 952 | R | 29.1 | Very low | 31.7 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | -169.2 | 151.8 | -67.8 | -172.8 | 176.8 | -168.8 | -148.1 | 3.9 | 107.5 | S1305 | R952-S1305 PolarHBondContact NH2-OG 2.87Š| |||
| 953 | Q | 35.7 | Very low | 31.8 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 85.1 | 157.2 | 177.6 | -51.4 | 175.3 | -2.4 | 0 | 0 | 115.8 | ||||
| 954 | N | 32.4 | Very low | 31.7 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | 169 | 113.4 | -51.8 | -105.6 | -0.7 | 0 | 0 | 0 | 108.3 | |||||
| 955 | N | 27.2 | Very low | 31.6 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | 40.6 | 109.5 | 134.5 | -72.2 | -18 | 0 | 0 | 0 | 121.6 | ||||
| 956 | R | 29.6 | Very low | 31.6 | Very low | 248 Ų | 248 | 144.3 Ų | 144.3 | 94% | 0.936 | 77% | 0.773 | S | S | * | * | 166.9 | 123.3 | 98.4 | -96.8 | 177.8 | 173.5 | 175.8 | -2.5 | 114.6 | |||||
| 957 | G | 29.3 | Very low | 31.6 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | trans | 58.3 | 172.7 | 143.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 958 | H | 31.3 | Very low | 31.6 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | cis | -165.8 | 137.5 | -28.6 | -154.3 | 19.7 | 0 | 0 | 0 | 109.3 | ||||
| 959 | L | 32.1 | Very low | 31.7 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | 68.3 | 158.6 | 172.7 | -50.8 | 171.9 | 0 | 0 | 0 | 115.1 | ||||
| 960 | N | 29.6 | Very low | 32.3 | Very low | 152 Ų | 152 | 152.9 Ų | 152.9 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | cis | -157.7 | 148.6 | 5.6 | -142.1 | -12.5 | 0 | 0 | 0 | 114.1 | ||||
| 961 | G | 31.6 | Very low | 32.9 | Very low | 60 Ų | 60 | 157.6 Ų | 157.6 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | trans | 106.4 | 108.8 | 138.9 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 962 | K | 31.9 | Very low | 32.6 | Very low | 208 Ų | 208 | 153.9 Ų | 153.9 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | 69 | 151.8 | 139.8 | -65.2 | -177.6 | 179.6 | -178.6 | 0 | 120.5 | ||||
| 963 | S | 31.1 | Very low | 32.4 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | cis | -171 | 162.6 | -15.1 | 49 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 964 | D | 27.5 | Very low | 31.8 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -103.4 | -179.4 | -171.7 | -59.3 | -83.4 | 0 | 0 | 0 | 117.5 | ||||
| 965 | I | 31.5 | Very low | 31.4 | Very low | 151 Ų | 151 | 144.7 Ų | 144.7 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | 115.1 | 115.3 | 147.8 | -58.2 | 179.1 | 0 | 0 | 0 | 120.2 | ||||
| 966 | K | 28.1 | Very low | 31.2 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 14.7 | 159.2 | 135.9 | -56.8 | 176.5 | -176.4 | 174.8 | 0 | 122.7 | ||||
| 967 | S | 33.8 | Very low | 31 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | cis | 176.7 | 156.9 | -21.2 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 968 | N | 34.5 | Very low | 30.8 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | 63.1 | 124.7 | 159.1 | -79.3 | 1.7 | 0 | 0 | 0 | 122.3 | ||||
| 969 | D | 37.4 | Very low | 30.5 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | -153.8 | 165.6 | 131.3 | -155.3 | -8.8 | 0 | 0 | 0 | 110.7 | ||||
| 970 | K | 43.6 | Very low | 30.2 | Very low | 197 Ų | 197 | 143 Ų | 143 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | trans | -109.1 | 92.3 | -178.4 | -79.5 | -173.7 | 176.6 | 178.7 | 0 | 113.2 | ||||
| 971 | Q | 50.5 | Low | 30.2 | Very low | 199 Ų | 199 | 142.4 Ų | 142.4 | 93% | 0.93 | 74% | 0.743 | S | S | * | * | trans | -131.2 | 148.8 | 147.8 | -73.4 | -169.1 | -8 | 0 | 0 | 109.6 | ||||
| 972 | S | 27.3 | Very low | 30 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -136.3 | 172.3 | -152.4 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 973 | S | 24.4 | Very low | 30.5 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | 75.9 | 125.5 | 151.2 | 76.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 974 | S | 22.9 | Very low | 30 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | 62.7 | 164.3 | 178.3 | 99.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 975 | S | 24.1 | Very low | 30.2 | Very low | 92 Ų | 92 | 145.5 Ų | 145.5 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | cis | -145.7 | 158 | 2 | -110 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 976 | R | 23.8 | Very low | 30.7 | Very low | 192 Ų | 192 | 145.6 Ų | 145.6 | 73% | 0.725 | 72% | 0.724 | S | S | * | * | 42.7 | 115.8 | 89.3 | -83 | -165.5 | 159.5 | 134.6 | -2.6 | 112.8 | |||||
| 977 | Q | 24.3 | Very low | 31 | Very low | 129 Ų | 129 | 141 Ų | 141 | 60% | 0.603 | 71% | 0.708 | S | S | * | * | 64.5 | 130.6 | 89.2 | -69.8 | -177 | -43.8 | 0 | 0 | 111.3 | |||||
| 978 | Q | 26.3 | Very low | 31.2 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 56% | 0.561 | 71% | 0.711 | S | S | * | * | cis | 178.5 | -171.9 | 10.7 | -121 | 166.6 | -28.6 | 0 | 0 | 109.2 | ||||
| 979 | H | 24.7 | Very low | 31.1 | Very low | 92 Ų | 92 | 141.8 Ų | 141.8 | 43% | 0.426 | 71% | 0.705 | S | S | . | * | trans | 86.7 | 149.4 | 150.8 | -52.5 | -46.1 | 0 | 0 | 0 | 118.1 | Q981 | H979-Q981 PolarHBondContact CE1-O 2.76Å; H979-Q981 VanDerWaalsContact CG-C 3.48Å; H979-Q981 PolarHBondContact ND1-O 3.11Å | ||
| 980 | Y | 24.5 | Very low | 30.6 | Very low | 215 Ų | 215 | 139.4 Ų | 139.4 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | S | Bend | cis | -50.2 | 136.1 | 9.3 | -89.1 | -95.3 | 0 | 0 | 0 | 115.6 | ||
| 981 | Q | 31 | Very low | 29.9 | Very low | 138 Ų | 138 | 139 Ų | 139 | 65% | 0.645 | 70% | 0.695 | S | S | * | * | S | Bend | cis | -135.6 | 146.4 | -1.4 | -162.1 | 171 | 43.9 | 0 | 0 | 112.9 | H979 | H979-Q981 PolarHBondContact CE1-O 2.76Å; H979-Q981 VanDerWaalsContact CG-C 3.48Å; H979-Q981 PolarHBondContact ND1-O 3.11Å |
| 982 | Q | 26.8 | Very low | 28.7 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 58% | 0.584 | 68% | 0.678 | S | S | * | * | trans | -60.2 | 143.1 | -169.9 | -53.6 | 100.7 | -58.4 | 0 | 0 | 114.4 | ||||
| 983 | K | 42.1 | Very low | 28.6 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | trans | 137.5 | 105.1 | 141 | -73.8 | 157.1 | -174.7 | 179 | 0 | 109.8 | ||||
| 984 | S | 22 | Very low | 28.8 | Very low | 80 Ų | 80 | 133 Ų | 133 | 56% | 0.559 | 68% | 0.68 | S | S | * | * | cis | 78.5 | 119.8 | 42 | 86 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 985 | Y | 30.5 | Very low | 28.9 | Very low | 204 Ų | 204 | 133 Ų | 133 | 80% | 0.8 | 68% | 0.679 | S | S | * | * | trans | 67.4 | 122.7 | 179.4 | -52.3 | -93.4 | 0 | 0 | 0 | 115.5 | ||||
| 986 | E | 42.1 | Very low | 28.9 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 72% | 0.715 | 69% | 0.686 | S | S | * | * | cis | -163.6 | 157.3 | -10.2 | -111.8 | -158.3 | -104 | 0 | 0 | 108.3 | ||||
| 987 | N | 34.6 | Very low | 28.9 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 50% | 0.503 | 69% | 0.688 | S | S | . | * | cis | -164.2 | -168.1 | -12.7 | -152.3 | -15.8 | 0 | 0 | 0 | 110.3 | ||||
| 988 | N | 38.7 | Very low | 28.9 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | trans | 75.3 | 141.8 | 162.6 | -58.9 | -20 | 0 | 0 | 0 | 116.8 | ||||
| 989 | N | 30.8 | Very low | 28.8 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | trans | -159.1 | 171.2 | -142.4 | -93 | -109.8 | 0 | 0 | 0 | 111.7 | ||||
| 990 | V | 26.9 | Very low | 28.8 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | cis | 169.4 | 165.9 | -35.2 | 130.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 991 | K | 29.3 | Very low | 28.8 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | trans | 71.6 | 176.4 | 175.1 | -78.6 | -179.6 | -179.9 | -177.2 | 0 | 117.1 | ||||
| 992 | S | 26.1 | Very low | 28.6 | Very low | 83 Ų | 83 | 133 Ų | 133 | 58% | 0.58 | 73% | 0.725 | S | S | * | * | 176.7 | 153.5 | -54.1 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 993 | S | 25.4 | Very low | 28.6 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | 58.5 | 172 | 156 | 50.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 994 | A | 27.5 | Very low | 28.2 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 70% | 0.702 | 73% | 0.73 | S | S | * | * | cis | -169.3 | 162.2 | -43.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 995 | S | 25 | Very low | 28.4 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | trans | 40.2 | 125.2 | 152.4 | -49.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 996 | N | 24 | Very low | 28.3 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | 55.4 | 124.8 | 140.8 | -72.7 | 27.5 | 0 | 0 | 0 | 124.4 | ||||
| 997 | E | 24.3 | Very low | 27.5 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | trans | 74.9 | 104.5 | 132.5 | -67.3 | -155.6 | 127 | 0 | 0 | 124.1 | ||||
| 998 | L | 23.8 | Very low | 27.3 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | 92.4 | 157 | 118.2 | -146.2 | 73.7 | 0 | 0 | 0 | 120.9 | |||||
| 999 | V | 24.7 | Very low | 26.7 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | trans | 92.8 | 71.7 | 165.3 | -163.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1000 | T | 24.7 | Very low | 26.7 | Very low | 119 Ų | 119 | 131 Ų | 131 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | 43.4 | 132.6 | 125.6 | 61 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1001 | S | 24.4 | Very low | 26.7 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | trans | 77.2 | 117.7 | 139 | -60.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1002 | I | 27.6 | Very low | 26.5 | Very low | 172 Ų | 172 | 126.6 Ų | 126.6 | 88% | 0.882 | 72% | 0.716 | S | S | * | * | -161.3 | 146.8 | 102.8 | -96.2 | 152.1 | 0 | 0 | 0 | 109.3 | |||||
| 1003 | E | 26.8 | Very low | 26.6 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -106.9 | 164.5 | 180 | -161.2 | -154.2 | -109.1 | 0 | 0 | 110.8 | V1005 | E1003-V1005 PolarHBondContact OE2-N 3.25Š| ||
| 1004 | P | 33.2 | Very low | 26.6 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | -137.9 | 102 | 141.4 | 34.9 | -19.6 | 0 | 0 | 0 | 114.6 | ||||
| 1005 | V | 26.4 | Very low | 26.6 | Very low | 99 Ų | 99 | 135 Ų | 135 | 60% | 0.6 | 74% | 0.735 | S | S | * | * | 35.4 | 118.6 | 117.6 | -178.7 | 0 | 0 | 0 | 0 | 117.9 | E1003 | E1003-V1005 PolarHBondContact OE2-N 3.25Š| |||
| 1006 | Y | 28.3 | Very low | 26.6 | Very low | 235 Ų | 235 | 134.7 Ų | 134.7 | 92% | 0.922 | 73% | 0.733 | S | S | * | * | -157.4 | 160.2 | 119 | -109.6 | -73.8 | 0 | 0 | 0 | 110.8 | |||||
| 1007 | A | 25.3 | Very low | 26.8 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | -117.1 | 172.4 | -160.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1008 | V | 30.2 | Very low | 26.9 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 89% | 0.891 | 73% | 0.728 | S | S | * | * | trans | -170.7 | 150.7 | 133.3 | 139.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1009 | E | 25.1 | Very low | 27 | Very low | 56 Ų | 56 | 129.5 Ų | 129.5 | 26% | 0.262 | 73% | 0.725 | S | S | . | * | trans | -84.1 | 157.1 | -175.3 | -51.5 | 177.8 | 112.1 | 0 | 0 | 115.6 | R786 | R786-E1009 PolarHBondContact N-OE1 2.89Š| ||
| 1010 | K | 30.6 | Very low | 27.1 | Very low | 187 Ų | 187 | 129.9 Ų | 129.9 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | 159 | 149.4 | 124.9 | -87.5 | 166.1 | -175.9 | 173.7 | 0 | 109.5 | |||||
| 1011 | L | 27.9 | Very low | 27.2 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 52% | 0.518 | 73% | 0.726 | S | S | . | * | cis | 163.8 | 121.2 | -17.6 | -113 | -173.6 | 0 | 0 | 0 | 104.6 | ||||
| 1012 | N | 25.9 | Very low | 27.3 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 60% | 0.599 | 72% | 0.724 | S | S | * | * | trans | 67.3 | 162.3 | 159.1 | -63.3 | -19.7 | 0 | 0 | 0 | 117.9 | R786 | R786-N1012 PolarHBondContact NH1-OD1 3.21Š| ||
| 1013 | R | 28.1 | Very low | 27.3 | Very low | 228 Ų | 228 | 125.7 Ų | 125.7 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | cis | -146.3 | 156.7 | 7 | -145.5 | 173.3 | -159.2 | 169.7 | 3.6 | 111.7 | ||||
| 1014 | S | 24.7 | Very low | 27.3 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | trans | -105.3 | 130.7 | 170.9 | 54.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1015 | S | 28.2 | Very low | 26.9 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | trans | -173.8 | 139.6 | 151 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1016 | S | 25.1 | Very low | 27 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -77.3 | 151.8 | 170.4 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1017 | L | 28.1 | Very low | 27 | Very low | 160 Ų | 160 | 117.5 Ų | 117.5 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | -175.4 | 140.4 | 117.5 | -99.7 | 163.7 | 0 | 0 | 0 | 114.6 | |||||
| 1018 | S | 25.3 | Very low | 27.1 | Very low | 88 Ų | 88 | 118.9 Ų | 118.9 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | trans | 18.4 | 123.6 | 152.7 | 58.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1019 | S | 25.9 | Very low | 27.1 | Very low | 110 Ų | 110 | 116.4 Ų | 116.4 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | 65.1 | 148.4 | 132.7 | 71.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 1020 | T | 27.8 | Very low | 27.5 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | cis | -139.5 | 165.5 | 15.4 | 51 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1021 | S | 25.9 | Very low | 27.7 | Very low | 98 Ų | 98 | 115.6 Ų | 115.6 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | trans | 57.3 | 118.4 | 142.6 | 59.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 1022 | S | 27 | Very low | 27.7 | Very low | 101 Ų | 101 | 117.8 Ų | 117.8 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | 69.3 | 114.7 | 132.8 | 62.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1023 | S | 26.8 | Very low | 28 | Very low | 113 Ų | 113 | 117.8 Ų | 117.8 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | 62.3 | 137.1 | 139.8 | 51.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 1024 | S | 27.2 | Very low | 28.1 | Very low | 103 Ų | 103 | 110.3 Ų | 110.3 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | cis | -160.2 | 164.9 | 19.1 | 38.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1025 | S | 25.6 | Very low | 28.4 | Very low | 106 Ų | 106 | 108.7 Ų | 108.7 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | trans | 49.2 | 107.3 | 149.9 | 59.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1026 | S | 28.8 | Very low | 28.5 | Very low | 116 Ų | 116 | 105.8 Ų | 105.8 | 81% | 0.811 | 70% | 0.698 | S | S | * | * | trans | 179.2 | 155.7 | 132.4 | 21.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1027 | S | 28.5 | Very low | 28.5 | Very low | 108 Ų | 108 | 104.6 Ų | 104.6 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | cis | 177.1 | 126.7 | -29 | 47 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 1028 | S | 26.6 | Very low | 28.4 | Very low | 110 Ų | 110 | 101 Ų | 101 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | trans | -85.5 | 119 | 154.9 | 3.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1029 | S | 30.7 | Very low | 28.4 | Very low | 95 Ų | 95 | 104.8 Ų | 104.8 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | 66.9 | 143.8 | 79.5 | 93.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1030 | T | 33.2 | Very low | 28.5 | Very low | 116 Ų | 116 | 108.9 Ų | 108.9 | 71% | 0.712 | 69% | 0.691 | S | S | * | * | cis | -169 | 147.9 | 15.4 | 2.9 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 1031 | T | 33.8 | Very low | 28.5 | Very low | 111 Ų | 111 | 112.5 Ų | 112.5 | 68% | 0.681 | 70% | 0.699 | S | S | * | * | cis | -161.6 | 150.7 | 5.6 | -9.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1032 | N | 29.1 | Very low | 28.6 | Very low | 145 Ų | 145 | 111.2 Ų | 111.2 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | trans | 3.8 | 153.3 | 137.7 | -56.5 | -5.1 | 0 | 0 | 0 | 119.9 | ||||
| 1033 | S | 32.4 | Very low | 28.6 | Very low | 112 Ų | 112 | 113.2 Ų | 113.2 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | cis | -175.5 | -178.7 | -15 | 60.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 1034 | S | 30.2 | Very low | 28.7 | Very low | 70 Ų | 70 | 116.4 Ų | 116.4 | 49% | 0.49 | 71% | 0.706 | S | S | . | * | cis | -158.2 | 157.8 | 9.2 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1035 | S | 29.2 | Very low | 28.9 | Very low | 76 Ų | 76 | 115.4 Ų | 115.4 | 53% | 0.531 | 71% | 0.712 | S | S | . | * | 172.5 | 147.1 | 122.3 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1036 | V | 30.4 | Very low | 29.1 | Very low | 58 Ų | 58 | 114.1 Ų | 114.1 | 35% | 0.352 | 70% | 0.703 | S | S | . | * | trans | 55.2 | 117.9 | 164.8 | -110.4 | 0 | 0 | 0 | 0 | 115.5 | L661 L662 | L661-V1036 HydrophobicContact CB-CG1 4.5Å; L661-V1036 HydrophobicContact CD1-CG1 4.19Å; L661-V1036 HydrophobicContact CD2-CB 4.27Å; L661-V1036 HydrophobicContact CD2-CG1 4.14Å; L661-V1036 HydrophobicContact CD2-CG2 4.43Å; L662-V1036 HydrophobicContact CD2-CG1 3.88Å; L662-V1036 HydrophobicContact CG-CG1 4.37Å | ||
| 1037 | S | 26.3 | Very low | 29.7 | Very low | 81 Ų | 81 | 112.7 Ų | 112.7 | 57% | 0.566 | 69% | 0.691 | S | S | * | * | cis | 62.4 | 142.6 | 38.8 | 115.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1038 | S | 26.5 | Very low | 30 | Very low | 85 Ų | 85 | 113.3 Ų | 113.3 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | cis | -161.3 | 160.2 | -2.4 | 21.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1039 | E | 24.6 | Very low | 30.2 | Very low | 166 Ų | 166 | 116.3 Ų | 116.3 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | trans | 52.1 | 123.8 | 152.5 | -65.7 | 158.2 | -166.6 | 0 | 0 | 120.4 | ||||
| 1040 | F | 28.6 | Very low | 30.3 | Very low | 197 Ų | 197 | 116.9 Ų | 116.9 | 86% | 0.864 | 69% | 0.691 | S | S | * | * | -169.1 | 166.5 | 98.6 | -120.3 | -95.4 | 0 | 0 | 0 | 113.2 | |||||
| 1041 | H | 25.9 | Very low | 30.1 | Very low | 195 Ų | 195 | 117.6 Ų | 117.6 | 90% | 0.903 | 69% | 0.686 | S | S | * | * | trans | -86 | 157.7 | 172.4 | -79.4 | -74 | 0 | 0 | 0 | 112.9 | ||||
| 1042 | G | 29.9 | Very low | 29.8 | Very low | 71 Ų | 71 | 118.2 Ų | 118.2 | 73% | 0.732 | 69% | 0.685 | S | S | * | * | trans | 135.8 | 88.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1043 | N | 26.6 | Very low | 29.9 | Very low | 143 Ų | 143 | 117.6 Ų | 117.6 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | 83.9 | 140 | 62.4 | -163.7 | 41.3 | 0 | 0 | 0 | 113.3 | |||||
| 1044 | E | 29.1 | Very low | 29.7 | Very low | 180 Ų | 180 | 120 Ų | 120 | 84% | 0.841 | 67% | 0.674 | S | S | * | * | trans | 71.1 | 149.3 | 177.7 | -43.4 | -167.5 | 176.7 | 0 | 0 | 117.2 | ||||
| 1045 | G | 30.8 | Very low | 29.6 | Very low | 82 Ų | 82 | 121.1 Ų | 121.1 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | trans | 128.9 | 31.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1046 | S | 30.6 | Very low | 29.7 | Very low | 80 Ų | 80 | 123.6 Ų | 123.6 | 56% | 0.559 | 69% | 0.694 | S | S | * | * | trans | -77.2 | 176.7 | 177.6 | -136.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1047 | P | 40.9 | Very low | 29.6 | Very low | 86 Ų | 86 | 124.8 Ų | 124.8 | 56% | 0.558 | 71% | 0.705 | S | S | * | * | -123.3 | -173.9 | -55 | 24.9 | -1.6 | 0 | 0 | 0 | 111.3 | L695 | L695-P1047 HydrophobicContact CD2-CG 4.1Š| |||
| 1048 | V | 34.4 | Very low | 29.8 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | 168.5 | 124.3 | 80 | 169.4 | 0 | 0 | 0 | 0 | 105.2 | |||||
| 1049 | H | 31.7 | Very low | 29.9 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 80% | 0.801 | 73% | 0.726 | S | S | * | * | 58.2 | 144.4 | 89.5 | -93.8 | -7.8 | 0 | 0 | 0 | 116.4 | |||||
| 1050 | V | 32.9 | Very low | 30.1 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 65% | 0.648 | 72% | 0.719 | S | S | * | * | cis | -156.3 | 169.2 | -8.4 | 81.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1051 | E | 27.2 | Very low | 30.2 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 61% | 0.607 | 72% | 0.717 | S | S | * | * | trans | -32 | 151.5 | 170.3 | -58.1 | 169 | -156.7 | 0 | 0 | 117.3 | K1053 | E1051-K1053 IonicContact OE2-NZ 3.63Å; E1051-K1053 PolarHBondContact OE2-NZ 2.88Å | ||
| 1052 | N | 29.4 | Very low | 30.4 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | 177.1 | 156.8 | 88.4 | -90.5 | -77.2 | 0 | 0 | 0 | 111.3 | |||||
| 1053 | K | 29.7 | Very low | 30.4 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 58% | 0.578 | 71% | 0.708 | S | S | * | * | cis | -156.7 | -116.5 | -22.7 | -130.6 | -172.5 | -159.6 | 87.6 | 0 | 113.4 | E1051 | E1051-K1053 IonicContact OE2-NZ 3.63Å; E1051-K1053 PolarHBondContact OE2-NZ 2.88Å | ||
| 1054 | H | 29.6 | Very low | 30.5 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 75% | 0.75 | 71% | 0.714 | S | S | * | * | trans | -108.7 | 174.6 | -168 | -50.4 | -63.1 | 0 | 0 | 0 | 113.9 | ||||
| 1055 | S | 28.2 | Very low | 30.5 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | cis | -167.2 | 158 | 11.3 | -141.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1056 | T | 29.8 | Very low | 30.6 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | trans | 56.9 | 151.5 | 150.8 | 49.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1057 | S | 29.1 | Very low | 30.6 | Very low | 84 Ų | 84 | 130 Ų | 130 | 59% | 0.587 | 70% | 0.703 | S | S | * | * | cis | 176.4 | 146.3 | -20.9 | 53.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1058 | Y | 29.4 | Very low | 30.2 | Very low | 223 Ų | 223 | 133.3 Ų | 133.3 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | trans | 168 | 152 | 141.6 | -96 | -62.4 | 0 | 0 | 0 | 115.3 | ||||
| 1059 | S | 28.8 | Very low | 30 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | trans | 2.6 | 158.1 | 150.7 | -75.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1060 | S | 29.9 | Very low | 30.1 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | cis | -177.4 | 152.5 | -7.7 | 47.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1061 | T | 29.3 | Very low | 30.1 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | trans | 63.3 | 157 | 156.6 | 54.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1062 | M | 31.1 | Very low | 30.3 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 80% | 0.803 | 73% | 0.728 | S | S | * | * | cis | -135.9 | 153.6 | 12.2 | -74.4 | -170.3 | 84.2 | 0 | 0 | 115.1 | ||||
| 1063 | S | 29.3 | Very low | 30.3 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | trans | 26.1 | 135.4 | 138.2 | -53 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1064 | R | 29.3 | Very low | 30.4 | Very low | 239 Ų | 239 | 132.8 Ų | 132.8 | 90% | 0.902 | 73% | 0.73 | S | S | * | * | trans | 67.9 | 148.5 | 141.2 | -80.5 | -177 | 171.8 | 167.5 | -3.9 | 119.2 | ||||
| 1065 | S | 28.7 | Very low | 30.5 | Very low | 76 Ų | 76 | 132.9 Ų | 132.9 | 53% | 0.531 | 73% | 0.73 | S | S | . | * | cis | -176.7 | 153 | -25.4 | 42.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1066 | H | 32.4 | Very low | 30.8 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 82% | 0.819 | 73% | 0.734 | S | S | * | * | trans | 72.3 | 156.1 | 176.5 | -52.8 | -82.6 | 0 | 0 | 0 | 116.5 | ||||
| 1067 | S | 31.3 | Very low | 30.8 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | -174.6 | 140.9 | -50.7 | 50.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1068 | V | 32.2 | Very low | 30.9 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 94% | 0.939 | 73% | 0.734 | S | S | * | * | trans | 69.6 | 146.4 | 169.5 | -165.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1069 | G | 31 | Very low | 30.9 | Very low | 68 Ų | 68 | 128.1 Ų | 128.1 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | trans | 115.2 | 130.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1070 | S | 34.2 | Very low | 30.8 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | trans | -132 | 144.1 | -171.3 | -58.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1071 | N | 31.5 | Very low | 30.8 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | 81.7 | 147.7 | 153.5 | -60.4 | -3.7 | 0 | 0 | 0 | 121 | ||||
| 1072 | H | 31.9 | Very low | 30.8 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 73% | 0.731 | 73% | 0.728 | S | S | * | * | trans | 67.5 | 136.2 | 169.4 | -60.9 | -77.3 | 0 | 0 | 0 | 118.8 | ||||
| 1073 | E | 29.6 | Very low | 30.7 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | cis | -165.7 | 172 | -24 | -156.7 | 158.1 | -169.7 | 0 | 0 | 110.7 | ||||
| 1074 | Y | 31.9 | Very low | 30.8 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | 80.3 | 130.3 | 161.5 | -68.4 | -70.3 | 0 | 0 | 0 | 122.4 | ||||
| 1075 | H | 32.4 | Very low | 31 | Very low | 163 Ų | 163 | 118.9 Ų | 118.9 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | trans | 62.4 | 137.9 | 157.8 | -56.7 | -54.8 | 0 | 0 | 0 | 118.9 | ||||
| 1076 | T | 33 | Very low | 31.2 | Very low | 119 Ų | 119 | 119 Ų | 119 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | cis | -158.7 | 164 | -7.1 | 6.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1077 | S | 30.4 | Very low | 31.2 | Very low | 94 Ų | 94 | 116.2 Ų | 116.2 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | trans | -6.7 | 126.7 | 161.1 | 49.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1078 | S | 31.3 | Very low | 31.3 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | 65.9 | 143.3 | 65.9 | 88.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1079 | T | 30.4 | Very low | 31.3 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | cis | -165.3 | 162.4 | 16.5 | -17 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1080 | C | 26.8 | Very low | 31.5 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 74% | 0.736 | 72% | 0.716 | S | S | * | * | trans | 22.6 | 156 | 151.6 | 66.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1081 | S | 28.1 | Very low | 31.5 | Very low | 107 Ų | 107 | 119.5 Ų | 119.5 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | cis | -173 | 157.9 | -14.7 | -91.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1082 | S | 29.9 | Very low | 31.5 | Very low | 104 Ų | 104 | 120 Ų | 120 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | 57.3 | 112.1 | 149.3 | 58.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1083 | S | 29.8 | Very low | 31.7 | Very low | 113 Ų | 113 | 116.9 Ų | 116.9 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | 68.3 | 107.9 | 124.6 | -50.4 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1084 | S | 30.7 | Very low | 31.8 | Very low | 127 Ų | 127 | 116.4 Ų | 116.4 | 89% | 0.888 | 72% | 0.722 | S | S | * | * | 170.7 | 153.8 | 114.9 | -75.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1085 | A | 34 | Very low | 31.8 | Very low | 67 Ų | 67 | 114.7 Ų | 114.7 | 55% | 0.554 | 72% | 0.721 | S | S | * | * | trans | -89 | 162.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L443 | L443-A1085 HydrophobicContact CD2-CB 4.48Š| ||
| 1086 | S | 32.2 | Very low | 31.8 | Very low | 78 Ų | 78 | 116.6 Ų | 116.6 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | cis | 178.4 | 165.8 | -11.2 | 51.9 | 0 | 0 | 0 | 0 | 107.8 | L443 | L443-S1086 VanDerWaalsContact CD2-OG 3.22Å; L443-S1086 WeakPolarHBondContact CD2-OG 3.37Å | ||
| 1087 | T | 31.7 | Very low | 31.7 | Very low | 119 Ų | 119 | 119.4 Ų | 119.4 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | trans | 168 | 134.6 | 132.6 | 38.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1088 | I | 33.5 | Very low | 31.8 | Very low | 154 Ų | 154 | 121.2 Ų | 121.2 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | trans | 75.1 | 139.4 | 133 | -66.5 | 167.4 | 0 | 0 | 0 | 123.1 | ||||
| 1089 | S | 33.1 | Very low | 31.9 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | 81.3 | 142.3 | 153.1 | 169.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1090 | S | 35.5 | Very low | 31.9 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | cis | -176.8 | 147.9 | -30.3 | 50.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1091 | C | 32.8 | Very low | 32.1 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 89% | 0.892 | 73% | 0.728 | S | S | * | * | trans | -160.9 | 162.1 | 147.9 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1092 | D | 33.3 | Very low | 32.2 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | trans | -151.6 | 162.8 | -137.9 | -172.5 | 15.5 | 0 | 0 | 0 | 113.5 | ||||
| 1093 | S | 34.9 | Very low | 32 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | trans | 146.4 | 107.7 | 145.8 | -71.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 1094 | N | 31.7 | Very low | 31.8 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | 79.5 | 94.7 | 124.8 | -68.8 | -51.3 | 0 | 0 | 0 | 124.3 | |||||
| 1095 | Q | 33 | Very low | 31.6 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | 81.7 | 133.7 | 105.1 | -87.1 | -170.7 | 78.7 | 0 | 0 | 124.3 | |||||
| 1096 | R | 30.7 | Very low | 31.3 | Very low | 203 Ų | 203 | 138.1 Ų | 138.1 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | 97.2 | 105.4 | 140.8 | -77 | 171 | -168.1 | -151.3 | 2.5 | 122.2 | ||||
| 1097 | K | 32.2 | Very low | 31.2 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | 62.6 | 114.6 | 117.2 | -74.4 | -168.6 | 176.6 | -164.3 | 0 | 120.4 | |||||
| 1098 | N | 32.4 | Very low | 31.2 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | 174.4 | 145 | 84.7 | -100.6 | -8.5 | 0 | 0 | 0 | 115.2 | |||||
| 1099 | H | 32.4 | Very low | 31.1 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 68% | 0.676 | 75% | 0.748 | S | S | * | * | trans | 45.4 | 132.9 | 142.1 | -74 | -109.2 | 0 | 0 | 0 | 125.3 | ||||
| 1100 | E | 31.7 | Very low | 31 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | trans | 78.5 | 98.8 | 132.5 | -74 | 163.8 | -154.9 | 0 | 0 | 123.8 | ||||
| 1101 | N | 30.1 | Very low | 30.7 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | 65.3 | 148.3 | 112.4 | -67.8 | -9.7 | 0 | 0 | 0 | 123.6 | |||||
| 1102 | A | 30.6 | Very low | 30.6 | Very low | 94 Ų | 94 | 148.4 Ų | 148.4 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | trans | 73.7 | 82.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1103 | C | 24.9 | Very low | 30.3 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | trans | 30.9 | 105.2 | 134.3 | -57 | 0 | 0 | 0 | 0 | 120 | ||||
| 1104 | R | 26.4 | Very low | 29.8 | Very low | 253 Ų | 253 | 149.1 Ų | 149.1 | 96% | 0.955 | 75% | 0.749 | S | S | * | * | -161.5 | 175.8 | 118.6 | -112.3 | 168.5 | -177.6 | 171.3 | 1.2 | 113.4 | |||||
| 1105 | V | 27 | Very low | 29.7 | Very low | 128 Ų | 128 | 151.2 Ų | 151.2 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -125.8 | 165 | -159.3 | -165 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1106 | I | 27.3 | Very low | 29.6 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | 78.7 | 118.9 | 166.2 | -43.7 | 175.2 | 0 | 0 | 0 | 115.6 | ||||
| 1107 | L | 31 | Very low | 29.7 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | -170.8 | 140.6 | 126.5 | -76.3 | -161.6 | 0 | 0 | 0 | 105.4 | |||||
| 1108 | N | 31.1 | Very low | 29.6 | Very low | 124 Ų | 124 | 148 Ų | 148 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | S | Bend | cis | -155.4 | 157.5 | -0.3 | -120.7 | -35.5 | 0 | 0 | 0 | 107.8 | ||
| 1109 | G | 31.1 | Very low | 29.5 | Very low | 63 Ų | 63 | 152.6 Ų | 152.6 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | cis | -168.3 | -173 | -2.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1110 | K | 30.6 | Very low | 29.2 | Very low | 191 Ų | 191 | 152.5 Ų | 152.5 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | S | Bend | cis | -150.8 | 157.5 | 10.8 | -59.8 | 171.1 | 172.8 | 172.1 | 0 | 106 | ||
| 1111 | R | 28.7 | Very low | 29 | Very low | 222 Ų | 222 | 151.3 Ų | 151.3 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | cis | -140 | 143.1 | 13.7 | -61.1 | 175.9 | -165.3 | -156.5 | 4 | 106.6 | ||||
| 1112 | H | 30.8 | Very low | 28.8 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | 50.4 | 135.2 | 77.9 | -75.5 | -76.5 | 0 | 0 | 0 | 116.2 | |||||
| 1113 | S | 26.9 | Very low | 28.7 | Very low | 84 Ų | 84 | 151.1 Ų | 151.1 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | cis | 178.6 | 151.5 | -29.6 | 37.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1114 | E | 24.6 | Very low | 28.8 | Very low | 176 Ų | 176 | 152.4 Ų | 152.4 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 71.3 | 154.3 | 147.9 | -84 | 176.8 | 133 | 0 | 0 | 124.4 | ||||
| 1115 | I | 31 | Very low | 29 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | 85.3 | 136.3 | 158.3 | -67.6 | 150.3 | 0 | 0 | 0 | 120.4 | ||||
| 1116 | D | 30.1 | Very low | 29.1 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | trans | -91.3 | 144.7 | -179.9 | 173.6 | 45.6 | 0 | 0 | 0 | 111.5 | R1118 | D1116-R1118 PolarHBondContact OD1-N 2.77Š| ||
| 1117 | P | 33.2 | Very low | 29.1 | Very low | 121 Ų | 121 | 149 Ų | 149 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | -148.9 | 114.5 | 104.8 | 34.8 | -15.5 | 0 | 0 | 0 | 116.7 | |||||
| 1118 | R | 29.5 | Very low | 29 | Very low | 215 Ų | 215 | 147.9 Ų | 147.9 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | trans | 42.1 | 126.8 | 139.3 | -65.3 | -174.9 | 170.6 | 124.4 | -0.2 | 122.4 | D1116 | D1116-R1118 PolarHBondContact OD1-N 2.77Š| ||
| 1119 | R | 30.3 | Very low | 28.9 | Very low | 229 Ų | 229 | 148.7 Ų | 148.7 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | 79.3 | 100.6 | 139.4 | -112 | -174.1 | -177.5 | -171 | 0.2 | 120.2 | ||||
| 1120 | L | 27.1 | Very low | 28.7 | Very low | 144 Ų | 144 | 151.9 Ų | 151.9 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | 166.2 | 126.1 | 99.9 | -89.4 | 166.6 | 0 | 0 | 0 | 114.7 | |||||
| 1121 | T | 26.7 | Very low | 28.6 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | 57 | 136.8 | 146.9 | 51.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1122 | V | 26.3 | Very low | 28.6 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | 93.7 | 113.1 | 136.1 | 156.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1123 | V | 27.8 | Very low | 28.5 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | trans | 83.5 | 113.4 | 135.7 | 166.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1124 | E | 28.1 | Very low | 28.7 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | trans | 69.9 | 124.2 | 133.9 | -71.4 | -165.8 | 117 | 0 | 0 | 128 | ||||
| 1125 | N | 29.6 | Very low | 28.9 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 65% | 0.647 | 74% | 0.737 | S | S | * | * | 96 | 126 | 122.4 | -79.2 | -26.4 | 0 | 0 | 0 | 125.3 | |||||
| 1126 | V | 30.1 | Very low | 28.7 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 67% | 0.667 | 74% | 0.737 | S | S | * | * | trans | 73.6 | 127.3 | 138.9 | 168.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1127 | R | 26 | Very low | 28.6 | Very low | 223 Ų | 223 | 147.6 Ų | 147.6 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | cis | -165.6 | -178.6 | 1.1 | -117.1 | 179.3 | -159.4 | 160.7 | 3.6 | 110.7 | ||||
| 1128 | V | 29.5 | Very low | 28.4 | Very low | 123 Ų | 123 | 151.8 Ų | 151.8 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | trans | 102.9 | 109.5 | 156.3 | -173.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1129 | L | 28.2 | Very low | 28.2 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | 32.8 | 141.6 | 142.2 | -46.6 | 172 | 0 | 0 | 0 | 120.2 | ||||
| 1130 | N | 27 | Very low | 28.1 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | cis | -173.9 | 172.1 | -7.6 | -106.5 | 9.7 | 0 | 0 | 0 | 105.9 | ||||
| 1131 | N | 28.6 | Very low | 28 | Very low | 117 Ų | 117 | 143 Ų | 143 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | cis | -152.7 | -169.7 | 3.5 | -144 | 68.5 | 0 | 0 | 0 | 109.6 | ||||
| 1132 | N | 28.4 | Very low | 28.2 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | trans | 73.8 | 125.7 | 152.5 | -89.9 | 62.5 | 0 | 0 | 0 | 121.3 | ||||
| 1133 | D | 30.5 | Very low | 28.3 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | trans | 93 | 110.4 | 138.8 | -53.8 | -20.9 | 0 | 0 | 0 | 122.1 | ||||
| 1134 | N | 30.2 | Very low | 28.4 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | 65.7 | 102.1 | 153.3 | -67.6 | -49.8 | 0 | 0 | 0 | 119 | ||||
| 1135 | K | 30 | Very low | 28.6 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | 89.4 | 61.6 | 73.7 | -170.1 | 174.2 | -175.1 | 178.1 | 0 | 111.1 | |||||
| 1136 | M | 26.5 | Very low | 28.6 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | trans | -146.5 | 103.5 | 164.6 | -85.4 | -162.8 | 175.3 | 0 | 0 | 111.1 | ||||
| 1137 | D | 28.3 | Very low | 28.7 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | -102.9 | 115.2 | 123.9 | -84.6 | -52.1 | 0 | 0 | 0 | 105.3 | |||||
| 1138 | R | 27.6 | Very low | 29 | Very low | 209 Ų | 209 | 138.1 Ų | 138.1 | 79% | 0.789 | 73% | 0.728 | S | S | * | * | 60.6 | 53.3 | 74.1 | -66.4 | -170.9 | 165.1 | -160 | -2.2 | 114 | |||||
| 1139 | N | 25.3 | Very low | 29.1 | Very low | 172 Ų | 172 | 137 Ų | 137 | 92% | 0.92 | 72% | 0.717 | S | S | * | * | trans | -128.5 | 73.6 | 142.4 | -96 | -31.3 | 0 | 0 | 0 | 109.8 | ||||
| 1140 | A | 28.7 | Very low | 29 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | trans | -160 | 138.5 | 172 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1141 | N | 25.6 | Very low | 29.1 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | cis | -161.9 | -163.4 | -19.1 | -164 | 8.7 | 0 | 0 | 0 | 106.7 | ||||
| 1142 | I | 30.9 | Very low | 29 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | trans | 75.7 | 130 | 154.2 | -65.5 | 150.4 | 0 | 0 | 0 | 115.5 | ||||
| 1143 | D | 26.7 | Very low | 29 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | cis | -163.1 | 156 | -18.2 | -102.2 | -25.2 | 0 | 0 | 0 | 107.8 | ||||
| 1144 | S | 31.4 | Very low | 29.1 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | 164.4 | 126 | 114.8 | 66.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1145 | N | 31.5 | Very low | 28.9 | Very low | 132 Ų | 132 | 143 Ų | 143 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | 70.8 | 141 | 153.1 | -60.6 | 29.9 | 0 | 0 | 0 | 118.2 | ||||
| 1146 | E | 30.4 | Very low | 29.2 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | cis | -155.9 | 143.8 | -7.3 | -115 | 168.1 | 124.6 | 0 | 0 | 111.2 | ||||
| 1147 | L | 31.6 | Very low | 29.5 | Very low | 122 Ų | 122 | 137 Ų | 137 | 64% | 0.639 | 72% | 0.716 | S | S | * | * | trans | 46.6 | 117.9 | 139.1 | -59.9 | 169.5 | 0 | 0 | 0 | 122.6 | ||||
| 1148 | D | 31.3 | Very low | 29.4 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 61% | 0.61 | 71% | 0.71 | S | S | * | * | 94.9 | 145.2 | 114.9 | -65.5 | -0.9 | 0 | 0 | 0 | 125.3 | |||||
| 1149 | D | 32.9 | Very low | 29.4 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 53% | 0.529 | 71% | 0.712 | S | S | . | * | trans | 60.6 | 111.5 | 160.2 | -73.6 | 0.6 | 0 | 0 | 0 | 120.3 | H516 F517 | H516-D1149 CarbonylContact C-O 3.6Å; F517-D1149 PolarHBondContact N-O 2.9Å | ||
| 1150 | L | 26.6 | Very low | 29.4 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | 71.7 | 91.8 | 62.7 | -67.6 | -176.4 | 0 | 0 | 0 | 112.9 | H516 | H516-L1150 CarbonylContact O-C 3.59Å; H516-L1150 VanDerWaalsContact O-C 3.28Å | |||
| 1151 | G | 28.2 | Very low | 29.4 | Very low | 51 Ų | 51 | 137.6 Ų | 137.6 | 53% | 0.526 | 71% | 0.709 | S | S | . | * | trans | -159.9 | 113.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | H516 | H516-G1151 WeakPolarHBondContact O-CA 3.47Å; H516-G1151 PolarHBondContact O-N 3.22Å | ||
| 1152 | R | 26.1 | Very low | 29.6 | Very low | 230 Ų | 230 | 134.8 Ų | 134.8 | 87% | 0.868 | 71% | 0.706 | S | S | * | * | trans | -52 | 144.7 | 165.8 | -61.4 | 168 | 167.3 | -174.8 | -4.8 | 110.3 | ||||
| 1153 | I | 29.2 | Very low | 29.5 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | 174 | 136.4 | 112.5 | -89.3 | 157.6 | 0 | 0 | 0 | 110.1 | |||||
| 1154 | Q | 31.2 | Very low | 29.7 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 56% | 0.556 | 71% | 0.706 | S | S | * | * | trans | 12.9 | 122.1 | 158.9 | -72.8 | 160.2 | -73.1 | 0 | 0 | 119.8 | D1156 | Q1154-D1156 PolarHBondContact NE2-O 2.84Š| ||
| 1155 | K | 27.7 | Very low | 29.7 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | S | Bend | -64 | 140.9 | 114.1 | -80.3 | -174.3 | 175.1 | -179.4 | 0 | 108 | |||
| 1156 | D | 36.4 | Very low | 29.6 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 71% | 0.707 | S | S | * | * | trans | 65.7 | 81 | 171.8 | -45.3 | -32.5 | 0 | 0 | 0 | 115.9 | Q1154 | Q1154-D1156 PolarHBondContact NE2-O 2.84Š| ||
| 1157 | P | 31.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | trans | -76.7 | 119.3 | 153.3 | 32.1 | -29.9 | 0 | 0 | 0 | 110.8 | Q1159 | P1157-Q1159 PolarHBondContact O-N 3.45Š| ||
| 1158 | V | 27 | Very low | 29.8 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | trans | -51.3 | 121.4 | 164.6 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1159 | Q | 26.3 | Very low | 29.8 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 84% | 0.841 | 72% | 0.723 | S | S | * | * | trans | 31.5 | 115.5 | 131.2 | -157.4 | 174.9 | 17.1 | 0 | 0 | 117.8 | P1157 | P1157-Q1159 PolarHBondContact O-N 3.45Š| ||
| 1160 | F | 25.9 | Very low | 29.7 | Very low | 190 Ų | 190 | 140.2 Ų | 140.2 | 83% | 0.833 | 74% | 0.735 | S | S | * | * | trans | -137.2 | 131.9 | 170.3 | -116.5 | -40 | 0 | 0 | 0 | 110.3 | ||||
| 1161 | I | 29 | Very low | 29.7 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 80% | 0.795 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 51.9 | 121.1 | 156.5 | -40.3 | -176.8 | 0 | 0 | 0 | 116.8 | ||
| 1162 | A | 30.6 | Very low | 29.6 | Very low | 80 Ų | 80 | 145 Ų | 145 | 66% | 0.661 | 74% | 0.742 | S | S | * | * | cis | -138.2 | 142.1 | 2.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1163 | S | 29.1 | Very low | 29.5 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | 62 | 109.1 | 67.3 | -56.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1164 | N | 29.1 | Very low | 29.2 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | trans | 76.9 | 112.1 | 147.4 | -67.2 | 69.3 | 0 | 0 | 0 | 119.9 | ||||
| 1165 | D | 31.3 | Very low | 28.9 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | 81 | 116 | 119.6 | -55.4 | -12.8 | 0 | 0 | 0 | 121 | |||||
| 1166 | N | 30.5 | Very low | 28.9 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 61.8 | 108.5 | 136.2 | -54.8 | -28.3 | 0 | 0 | 0 | 118.5 | ||||
| 1167 | Q | 33.6 | Very low | 28.4 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | -167.7 | 132.9 | 84.1 | -98.2 | -179.9 | 4.7 | 0 | 0 | 114.6 | |||||
| 1168 | L | 31.8 | Very low | 28.5 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | trans | 74.6 | 144.2 | 140.7 | -66.2 | 165.9 | 0 | 0 | 0 | 121.7 | ||||
| 1169 | D | 31.5 | Very low | 28.7 | Very low | 136 Ų | 136 | 144 Ų | 144 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 54 | 109.3 | 162.4 | -46.5 | -10.2 | 0 | 0 | 0 | 118 | ||
| 1170 | D | 30.5 | Very low | 29 | Very low | 149 Ų | 149 | 141 Ų | 141 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | cis | -156.7 | 133.2 | -2.4 | -128.6 | -21.8 | 0 | 0 | 0 | 109.4 | ||||
| 1171 | F | 28.1 | Very low | 29.4 | Very low | 172 Ų | 172 | 138 Ų | 138 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | -159.4 | 135.8 | 176.7 | -120.4 | -77.2 | 0 | 0 | 0 | 113.9 | ||||
| 1172 | N | 25.8 | Very low | 29.7 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | trans | 6.1 | 119.8 | 165 | -66.5 | -7.6 | 0 | 0 | 0 | 119.5 | ||||
| 1173 | C | 24.4 | Very low | 30.1 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 86% | 0.858 | 72% | 0.718 | S | S | * | * | -166.8 | 178.8 | 116.2 | -112.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1174 | R | 22.6 | Very low | 30.5 | Very low | 199 Ų | 199 | 139 Ų | 139 | 75% | 0.751 | 71% | 0.712 | S | S | * | * | trans | -19.7 | 127.1 | 164.7 | -84.5 | 174.6 | 156.6 | 114.8 | -4.7 | 113.8 | Y1176 | R1174-Y1176 HydrophobicContact CB-CE2 4.49Å; R1174-Y1176 HydrophobicContact CG-CE2 4.24Å | ||
| 1175 | A | 24.7 | Very low | 30.9 | Very low | 81 Ų | 81 | 136 Ų | 136 | 67% | 0.669 | 70% | 0.696 | S | S | * | * | 66.8 | 162.6 | 82.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1176 | Y | 26.6 | Very low | 31.3 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | cis | -129.2 | -158.6 | 17.9 | -89.1 | -91.5 | 0 | 0 | 0 | 108.5 | R1174 | R1174-Y1176 HydrophobicContact CB-CE2 4.49Å; R1174-Y1176 HydrophobicContact CG-CE2 4.24Å | ||
| 1177 | N | 27.6 | Very low | 31.5 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | cis | -172.3 | 179.2 | 28.4 | -154 | -5 | 0 | 0 | 0 | 113.6 | ||||
| 1178 | I | 32.9 | Very low | 31.6 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | trans | 91.7 | 85.8 | 163.6 | -48.3 | -170.2 | 0 | 0 | 0 | 116.6 | ||||
| 1179 | Q | 32 | Very low | 31.9 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | trans | 73.4 | 131.4 | 130.5 | -73.2 | 173.8 | -24.3 | 0 | 0 | 119.7 | ||||
| 1180 | N | 31.8 | Very low | 32.2 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | cis | -144.1 | 145.9 | 5.9 | -59 | -70.3 | 0 | 0 | 0 | 110.7 | ||||
| 1181 | D | 34 | Very low | 32.4 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 68% | 0.684 | 71% | 0.709 | S | S | * | * | 50.2 | 132.4 | 119.3 | -45 | 0.1 | 0 | 0 | 0 | 119.1 | |||||
| 1182 | D | 35.4 | Very low | 32.5 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 68% | 0.679 | 72% | 0.716 | S | S | * | * | cis | -157.9 | 161 | 4 | -77.3 | -36.8 | 0 | 0 | 0 | 111.7 | ||||
| 1183 | E | 38 | Very low | 32.8 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 57% | 0.57 | 71% | 0.712 | S | S | * | * | trans | 46.1 | 142.8 | 142.9 | -64.6 | 167 | 178.1 | 0 | 0 | 123.5 | Q394 | Q394-E1183 PolarHBondContact NE2-OE1 2.95Š| ||
| 1184 | D | 39 | Very low | 33.1 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 59% | 0.588 | 71% | 0.714 | S | S | * | * | cis | -168.3 | 179.1 | -30.7 | -128 | -58.5 | 0 | 0 | 0 | 113.5 | D393 | D393-D1184 WeakPolarHBondContact OD2-CB 3.4Š| ||
| 1185 | D | 36.6 | Very low | 33.6 | Very low | 65 Ų | 65 | 135.6 Ų | 135.6 | 35% | 0.348 | 72% | 0.719 | S | S | . | * | trans | 87.1 | 128.7 | 149.3 | -84.5 | -33.6 | 0 | 0 | 0 | 127.8 | V391 P392 D393 | V391-D1185 HydrophobicContact CB-CB 3.74Å; V391-D1185 WeakPolarHBondContact CB-OD2 3.4Å; V391-D1185 HydrophobicContact CG1-CB 4.24Å; V391-D1185 VanDerWaalsContact CG1-OD2 3.32Å; V391-D1185 WeakPolarHBondContact CG1-OD2 3.36Å; V391-D1185 HydrophobicContact CG2-CB 3.71Å; P392-D1185 HydrophobicContact CB-CB 4.13Å; P392-D1185 WeakPolarHBondContact CB-OD2 3.33Å; D393-D1185 PolarHBondContact N-OD2 2.83Å | ||
| 1186 | E | 39.2 | Very low | 34.2 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | trans | 25.8 | 112.3 | 156.1 | -57.9 | -162.9 | 156.2 | 0 | 0 | 127 | V391 | V391-E1186 HydrophobicContact CG2-CB 4.46Š| ||
| 1187 | D | 36.4 | Very low | 34.6 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 71% | 0.71 | S | S | * | * | 49 | 130.6 | 111.7 | -65.9 | 8 | 0 | 0 | 0 | 125.3 | |||||
| 1188 | I | 35.5 | Very low | 35 | Very low | 167 Ų | 167 | 136 Ų | 136 | 86% | 0.856 | 71% | 0.711 | S | S | * | * | -166.1 | 128.6 | 117.3 | -95.8 | 160.1 | 0 | 0 | 0 | 108.5 | |||||
| 1189 | E | 38 | Very low | 35.1 | Very low | 196 Ų | 196 | 132.8 Ų | 132.8 | 92% | 0.916 | 69% | 0.694 | S | S | * | * | trans | -97.6 | 153.2 | 162.1 | -70.4 | -165.4 | 140.1 | 0 | 0 | 110.2 | ||||
| 1190 | D | 36.3 | Very low | 35.6 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 88% | 0.877 | 69% | 0.692 | S | S | * | * | trans | -139.5 | 143.6 | 165 | -166.4 | 13 | 0 | 0 | 0 | 110.6 | ||||
| 1191 | G | 35.7 | Very low | 35.9 | Very low | 57 Ų | 57 | 129.7 Ų | 129.7 | 59% | 0.588 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 157.4 | -172 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1193 | G1191-E1193 PolarHBondContact O-N 3.16Š|
| 1192 | G | 29.3 | Very low | 35.7 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 90% | 0.897 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 118 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1193 | E | 33.3 | Very low | 35.4 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 160.6 | 163 | -61.8 | -159.9 | 144.2 | 0 | 0 | 112 | Q490 G1191 | Q490-E1193 PolarHBondContact NE2-OE2 3.29Å; G1191-E1193 PolarHBondContact O-N 3.16Å |
| 1194 | E | 29.6 | Very low | 34.7 | Very low | 194 Ų | 194 | 130.5 Ų | 130.5 | 91% | 0.907 | 70% | 0.703 | S | S | * | * | trans | -88.1 | 111.8 | -175.6 | -58.7 | -169.4 | 141.6 | 0 | 0 | 111.6 | E1196 | E1194-E1196 PolarHBondContact O-N 2.86Å; E1194-E1196 VanDerWaalsContact O-N 3.11Å | ||
| 1195 | E | 34.5 | Very low | 34.2 | Very low | 182 Ų | 182 | 129.5 Ų | 129.5 | 85% | 0.85 | 70% | 0.701 | S | S | * | * | trans | -64 | 109 | 178.1 | -72.9 | -166.8 | 155.3 | 0 | 0 | 112.7 | ||||
| 1196 | E | 36.5 | Very low | 33.7 | Very low | 182 Ų | 182 | 132.2 Ų | 132.2 | 85% | 0.85 | 72% | 0.72 | S | S | * | * | trans | -73.1 | 148.8 | 162.6 | -66.5 | -141.5 | 121.4 | 0 | 0 | 111.8 | E1194 E1198 | E1194-E1196 PolarHBondContact O-N 2.86Å; E1194-E1196 VanDerWaalsContact O-N 3.11Å; E1196-E1198 PolarHBondContact O-N 3.47Å | ||
| 1197 | D | 34.8 | Very low | 33.3 | Very low | 63 Ų | 63 | 133.6 Ų | 133.6 | 34% | 0.337 | 73% | 0.726 | S | S | . | * | trans | -76.1 | 77.8 | -166.6 | -76 | -67.1 | 0 | 0 | 0 | 114.8 | D1199 R1632 K1633 | D1197-D1199 PolarHBondContact O-N 3.19Å; D1197-R1632 WeakPolarHBondContact OD1-CD 3.45Å; D1197-R1632 IonicContact OD1-CZ 2.97Å; D1197-R1632 IonicContact OD1-NE 3.28Å; D1197-R1632 IonicContact OD1-NH1 3.17Å; D1197-R1632 PolarHBondContact OD1-NH1 3.07Å; D1197-K1633 WeakPolarHBondContact OD2-CD 3.49Å; D1197-K1633 WeakPolarHBondContact OD2-CE 3.44Å; D1197-K1633 IonicContact OD2-NZ 3.15Å; D1197-K1633 PolarHBondContact OD2-NZ 2.88Å | ||
| 1198 | E | 36 | Very low | 32.9 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | -69.6 | 90.7 | 157.6 | -71.1 | -165.4 | 146.3 | 0 | 0 | 110.5 | R488 E1196 | R488-E1198 IonicContact NH2-OE2 2.7Å; E1196-E1198 PolarHBondContact O-N 3.47Å | ||
| 1199 | D | 35.5 | Very low | 32.5 | Very low | 59 Ų | 59 | 136.3 Ų | 136.3 | 32% | 0.316 | 73% | 0.73 | S | S | . | * | trans | -140.1 | 34.1 | 178 | -138.6 | 8.3 | 0 | 0 | 0 | 112.1 | D1197 R1632 | D1197-D1199 PolarHBondContact O-N 3.19Å; D1199-R1632 VanDerWaalsContact CG-NH2 3.28Å; D1199-R1632 IonicContact OD1-NH2 3.32Å; D1199-R1632 IonicContact OD2-CZ 2.72Å; D1199-R1632 VanDerWaalsContact OD2-CZ 3.29Å; D1199-R1632 IonicContact OD2-NE 3.7Å; D1199-R1632 PolarHBondContact OD2-NE 3.34Å; D1199-R1632 IonicContact OD2-NH2 2.69Å; D1199-R1632 PolarHBondContact OD2-NH2 2.7Å; D1199-R1632 VanDerWaalsContact OD2-NH2 3.09Å | ||
| 1200 | E | 43.5 | Very low | 32.2 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | -82.3 | 143.7 | 161.7 | -75 | -86.7 | 109.1 | 0 | 0 | 109.4 | ||||
| 1201 | G | 38 | Very low | 31.7 | Very low | 64 Ų | 64 | 134.2 Ų | 134.2 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | trans | -111.2 | 112 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1203 | G1201-V1203 PolarHBondContact O-N 3.24Š| ||
| 1202 | D | 27.8 | Very low | 31.5 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | trans | -6.4 | 99.3 | 174.1 | -66.8 | -58.4 | 0 | 0 | 0 | 116.7 | ||||
| 1203 | V | 29.3 | Very low | 31.4 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 55% | 0.552 | 72% | 0.723 | S | S | * | * | trans | -128.1 | 99.8 | 151.4 | 179.1 | 0 | 0 | 0 | 0 | 107 | G1201 V1205 | G1201-V1203 PolarHBondContact O-N 3.24Å; V1203-V1205 PolarHBondContact O-N 3.08Å | ||
| 1204 | I | 24.5 | Very low | 31.1 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 81% | 0.81 | 72% | 0.723 | S | S | * | * | trans | -64.8 | 99.4 | -177.4 | -54 | 172.8 | 0 | 0 | 0 | 109.7 | ||||
| 1205 | V | 29.1 | Very low | 31.3 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | trans | -101.7 | 141.6 | 154.3 | -178.9 | 0 | 0 | 0 | 0 | 105.9 | V1203 E1207 | V1203-V1205 PolarHBondContact O-N 3.08Å; V1205-E1207 PolarHBondContact O-N 2.72Å | ||
| 1206 | V | 25.8 | Very low | 31.3 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 74% | 0.739 | 71% | 0.714 | S | S | * | * | trans | -77.2 | 111.1 | 170.4 | 178.6 | 0 | 0 | 0 | 0 | 106.6 | E1208 | V1206-E1208 HydrophobicContact CG1-CG 4.34Š| ||
| 1207 | E | 29.4 | Very low | 31.1 | Very low | 175 Ų | 175 | 128.3 Ų | 128.3 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | -87.2 | 117 | 166.5 | -62.6 | -173 | 152.2 | 0 | 0 | 106.9 | V1205 | V1205-E1207 PolarHBondContact O-N 2.72Š| ||
| 1208 | E | 29.1 | Very low | 31 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | -89.4 | 132 | 162.5 | -68.2 | -177.7 | 149.9 | 0 | 0 | 106.7 | V1206 E1210 | V1206-E1208 HydrophobicContact CG1-CG 4.34Å; E1208-E1210 PolarHBondContact O-N 2.75Å | ||
| 1209 | E | 26 | Very low | 30.9 | Very low | 197 Ų | 197 | 127 Ų | 127 | 92% | 0.921 | 70% | 0.699 | S | S | * | * | trans | -72.1 | 115.5 | -171.4 | -62.2 | 172.8 | 151.8 | 0 | 0 | 111 | ||||
| 1210 | E | 32.7 | Very low | 30.9 | Very low | 119 Ų | 119 | 130 Ų | 130 | 56% | 0.556 | 71% | 0.711 | S | S | * | * | trans | -129.8 | 130.4 | 161.4 | -86.6 | -168.6 | 155.4 | 0 | 0 | 111.8 | P92 E1208 N1212 | P92-E1210 WeakPolarHBondContact CB-OE2 3.26Å; P92-E1210 WeakPolarHBondContact CG-OE2 3.49Å; E1208-E1210 PolarHBondContact O-N 2.75Å; E1210-N1212 PolarHBondContact O-N 3.08Å; E1210-N1212 PolarHBondContact O-ND2 3.05Å | ||
| 1211 | E | 26.4 | Very low | 30.4 | Very low | 197 Ų | 197 | 127.4 Ų | 127.4 | 92% | 0.921 | 70% | 0.699 | S | S | * | * | trans | -65.8 | 117.6 | -169.1 | -173.3 | 176.9 | -165.4 | 0 | 0 | 113 | ||||
| 1212 | N | 30.7 | Very low | 30.3 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 80% | 0.802 | 70% | 0.696 | S | S | * | * | trans | -117.9 | 81.2 | -179 | -82.3 | -88.2 | 0 | 0 | 0 | 112.6 | E1210 | E1210-N1212 PolarHBondContact O-N 3.08Å; E1210-N1212 PolarHBondContact O-ND2 3.05Å | ||
| 1213 | G | 27.3 | Very low | 30.7 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 86% | 0.856 | 69% | 0.692 | S | S | * | * | trans | -94.5 | 77.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1214 | A | 27.3 | Very low | 30.9 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 66% | 0.661 | 68% | 0.681 | S | S | * | * | trans | -152.5 | 10.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1215 | D | 32.8 | Very low | 31.3 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -100.3 | 3.4 | -169.2 | -96 | -23 | 0 | 0 | 0 | 116.9 | ||
| 1216 | L | 34.7 | Very low | 31.4 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -85.4 | -37.6 | 174.2 | -112.3 | 73.9 | 0 | 0 | 0 | 113.5 | E1218 A1219 E1220 | L1216-E1218 PolarHBondContact O-N 2.9Å; L1216-A1219 PolarHBondContact O-N 3.03Å; L1216-E1220 PolarHBondContact O-N 2.75Å; L1216-E1220 VanDerWaalsContact O-N 3.16Å |
| 1217 | E | 33.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 53% | 0.528 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -67.4 | -37.6 | -166.7 | -156.9 | -161.9 | 145.6 | 0 | 0 | 112.7 | A1219 E1220 Q1221 | E1217-A1219 VanDerWaalsContact C-N 3.35Å; E1217-A1219 PolarHBondContact O-N 3.22Å; E1217-E1220 PolarHBondContact O-N 2.94Å; E1217-Q1221 WeakPolarHBondContact O-CB 3.19Å; E1217-Q1221 PolarHBondContact O-N 2.86Å; E1217-Q1221 PolarHBondContact OE1-NE2 2.84Å |
| 1218 | E | 31.7 | Very low | 31.9 | Very low | 150 Ų | 150 | 121.6 Ų | 121.6 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.2 | -33.5 | -179.7 | -166.4 | 168.8 | -124.3 | 0 | 0 | 112.1 | L1216 Q1221 L1222 | L1216-E1218 PolarHBondContact O-N 2.9Å; E1218-Q1221 PolarHBondContact O-N 3.28Å; E1218-L1222 WeakPolarHBondContact O-CG 3.49Å; E1218-L1222 PolarHBondContact O-N 3.43Å |
| 1219 | A | 33.1 | Very low | 31.9 | Very low | 52 Ų | 52 | 118.9 Ų | 118.9 | 43% | 0.43 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67 | -38.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1216 E1217 R1223 | L1216-A1219 PolarHBondContact O-N 3.03Å; E1217-A1219 VanDerWaalsContact C-N 3.35Å; E1217-A1219 PolarHBondContact O-N 3.22Å; A1219-R1223 WeakPolarHBondContact O-CG 3.46Å; A1219-R1223 PolarHBondContact O-N 2.99Å; A1219-R1223 VanDerWaalsContact O-N 3.12Å |
| 1220 | E | 36.7 | Very low | 32.1 | Very low | 121 Ų | 121 | 119.9 Ų | 119.9 | 57% | 0.565 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.4 | -36.8 | 172.5 | -67.7 | -146.9 | 118.3 | 0 | 0 | 112.7 | L1216 E1217 L1222 R1223 A1224 | L1216-E1220 PolarHBondContact O-N 2.75Å; L1216-E1220 VanDerWaalsContact O-N 3.16Å; E1217-E1220 PolarHBondContact O-N 2.94Å; E1220-L1222 VanDerWaalsContact C-N 3.29Å; E1220-L1222 PolarHBondContact O-N 2.9Å; E1220-R1223 CarbonylContact O-C 3.58Å; E1220-R1223 WeakPolarHBondContact O-CB 3.34Å; E1220-R1223 PolarHBondContact O-N 3.42Å; E1220-R1223 VanDerWaalsContact O-N 3.1Å; E1220-A1224 WeakPolarHBondContact O-CB 3.42Å; E1220-A1224 PolarHBondContact O-N 3.25Å |
| 1221 | Q | 33.2 | Very low | 31.7 | Very low | 96 Ų | 96 | 119.1 Ų | 119.1 | 45% | 0.449 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.2 | -31.7 | 178.2 | -137 | 136.9 | 108.7 | 0 | 0 | 111.7 | E1217 E1218 T1225 | E1217-Q1221 WeakPolarHBondContact O-CB 3.19Å; E1217-Q1221 PolarHBondContact O-N 2.86Å; E1217-Q1221 PolarHBondContact OE1-NE2 2.84Å; E1218-Q1221 PolarHBondContact O-N 3.28Å; Q1221-T1225 WeakPolarHBondContact O-CB 3.5Å; Q1221-T1225 PolarHBondContact O-N 3.06Å; Q1221-T1225 PolarHBondContact O-OG1 2.89Å |
| 1222 | L | 35.5 | Very low | 31.7 | Very low | 113 Ų | 113 | 121 Ų | 121 | 59% | 0.592 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.7 | -40.4 | 168.3 | -74.9 | 169 | 0 | 0 | 0 | 112.6 | E1218 E1220 T1225 L1226 | E1218-L1222 WeakPolarHBondContact O-CG 3.49Å; E1218-L1222 PolarHBondContact O-N 3.43Å; E1220-L1222 VanDerWaalsContact C-N 3.29Å; E1220-L1222 PolarHBondContact O-N 2.9Å; L1222-T1225 PolarHBondContact O-N 3.22Å; L1222-L1226 WeakPolarHBondContact O-CG 3.38Å; L1222-L1226 PolarHBondContact O-N 3.26Å; L1222-L1226 VanDerWaalsContact O-N 3.11Å |
| 1223 | R | 36.3 | Very low | 31.5 | Very low | 186 Ų | 186 | 122.6 Ų | 122.6 | 70% | 0.702 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.4 | -42 | 172.3 | -71.9 | 178.9 | -174.7 | -163.1 | 4.7 | 111.9 | A1219 E1220 L1226 S1227 | A1219-R1223 WeakPolarHBondContact O-CG 3.46Å; A1219-R1223 PolarHBondContact O-N 2.99Å; A1219-R1223 VanDerWaalsContact O-N 3.12Å; E1220-R1223 CarbonylContact O-C 3.58Å; E1220-R1223 WeakPolarHBondContact O-CB 3.34Å; E1220-R1223 PolarHBondContact O-N 3.42Å; E1220-R1223 VanDerWaalsContact O-N 3.1Å; R1223-L1226 CarbonylContact O-C 3.59Å; R1223-L1226 PolarHBondContact O-N 3.41Å; R1223-S1227 PolarHBondContact O-N 2.91Å |
| 1224 | A | 32.4 | Very low | 31.3 | Very low | 38 Ų | 38 | 130.3 Ų | 130.3 | 31% | 0.314 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64.9 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1220 L1226 S1227 I1228 | E1220-A1224 WeakPolarHBondContact O-CB 3.42Å; E1220-A1224 PolarHBondContact O-N 3.25Å; A1224-L1226 PolarHBondContact O-N 3.12Å; A1224-S1227 WeakPolarHBondContact CA-OG 3.48Å; A1224-S1227 PolarHBondContact O-N 3.17Å; A1224-S1227 VanDerWaalsContact O-N 3.15Å; A1224-S1227 PolarHBondContact O-OG 3.24Å; A1224-S1227 VanDerWaalsContact O-OG 3.08Å; A1224-I1228 WeakPolarHBondContact O-CB 3.26Å; A1224-I1228 WeakPolarHBondContact O-CD1 3.38Å; A1224-I1228 WeakPolarHBondContact O-CG1 3.42Å; A1224-I1228 PolarHBondContact O-N 3.46Å |
| 1225 | T | 33.6 | Very low | 31.3 | Very low | 87 Ų | 87 | 133.1 Ų | 133.1 | 53% | 0.534 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -61.1 | -33.6 | 174.4 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | Q1221 L1222 V1229 | Q1221-T1225 WeakPolarHBondContact O-CB 3.5Å; Q1221-T1225 PolarHBondContact O-N 3.06Å; Q1221-T1225 PolarHBondContact O-OG1 2.89Å; L1222-T1225 PolarHBondContact O-N 3.22Å; T1225-V1229 WeakPolarHBondContact O-CG2 3.48Å |
| 1226 | L | 32.1 | Very low | 31.1 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 63% | 0.628 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -82.6 | -22.6 | 175.1 | -70 | 170.6 | 0 | 0 | 0 | 114.3 | L1222 R1223 A1224 | L1222-L1226 WeakPolarHBondContact O-CG 3.38Å; L1222-L1226 PolarHBondContact O-N 3.26Å; L1222-L1226 VanDerWaalsContact O-N 3.11Å; R1223-L1226 CarbonylContact O-C 3.59Å; R1223-L1226 PolarHBondContact O-N 3.41Å; A1224-L1226 PolarHBondContact O-N 3.12Å |
| 1227 | S | 30.9 | Very low | 30.7 | Very low | 61 Ų | 61 | 134.2 Ų | 134.2 | 43% | 0.427 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -82.6 | -37.3 | 175.4 | 74.2 | 0 | 0 | 0 | 0 | 112.3 | R1223 A1224 V1229 R1230 T1231 | R1223-S1227 PolarHBondContact O-N 2.91Å; A1224-S1227 WeakPolarHBondContact CA-OG 3.48Å; A1224-S1227 PolarHBondContact O-N 3.17Å; A1224-S1227 VanDerWaalsContact O-N 3.15Å; A1224-S1227 PolarHBondContact O-OG 3.24Å; A1224-S1227 VanDerWaalsContact O-OG 3.08Å; S1227-V1229 PolarHBondContact O-N 3.35Å; S1227-V1229 VanDerWaalsContact O-N 3.17Å; S1227-R1230 WeakPolarHBondContact O-CA 3.47Å; S1227-R1230 PolarHBondContact O-N 3.37Å; S1227-T1231 PolarHBondContact O-N 3.29Å; S1227-T1231 PolarHBondContact O-OG1 2.94Å |
| 1228 | I | 33.3 | Very low | 30.4 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 60% | 0.6 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -23.1 | 174.6 | -70 | 165.3 | 0 | 0 | 0 | 112 | A1224 R1230 | A1224-I1228 WeakPolarHBondContact O-CB 3.26Å; A1224-I1228 WeakPolarHBondContact O-CD1 3.38Å; A1224-I1228 WeakPolarHBondContact O-CG1 3.42Å; A1224-I1228 PolarHBondContact O-N 3.46Å; I1228-R1230 VanDerWaalsContact C-N 3.35Å |
| 1229 | V | 30.7 | Very low | 30.2 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -10.1 | 173.3 | 176.1 | 0 | 0 | 0 | 0 | 112.8 | T1225 S1227 | T1225-V1229 WeakPolarHBondContact O-CG2 3.48Å; S1227-V1229 PolarHBondContact O-N 3.35Å; S1227-V1229 VanDerWaalsContact O-N 3.17Å |
| 1230 | R | 29 | Very low | 30.1 | Very low | 218 Ų | 218 | 139.2 Ų | 139.2 | 82% | 0.823 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -12.5 | 175.6 | -83.8 | -172 | 164.7 | 95.6 | -5.6 | 115.1 | S1227 I1228 | S1227-R1230 WeakPolarHBondContact O-CA 3.47Å; S1227-R1230 PolarHBondContact O-N 3.37Å; I1228-R1230 VanDerWaalsContact C-N 3.35Å |
| 1231 | T | 25.3 | Very low | 29.8 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 64% | 0.638 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -109.9 | 62.7 | -175.7 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | S1227 | S1227-T1231 PolarHBondContact O-N 3.29Å; S1227-T1231 PolarHBondContact O-OG1 2.94Å |
| 1232 | R | 26.1 | Very low | 29.7 | Very low | 237 Ų | 237 | 144.9 Ų | 144.9 | 89% | 0.894 | 71% | 0.71 | S | S | * | * | trans | -152.4 | 36.3 | 170.5 | -118.1 | 167 | -154.7 | -115.9 | 2.8 | 117.1 | ||||
| 1233 | Q | 25.5 | Very low | 29.4 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 72% | 0.716 | S | S | * | * | trans | -138.2 | 152.7 | 156.9 | -77.1 | -168.7 | -16.7 | 0 | 0 | 109.3 | ||||
| 1234 | R | 23.9 | Very low | 29.3 | Very low | 245 Ų | 245 | 142.5 Ų | 142.5 | 93% | 0.925 | 72% | 0.716 | S | S | * | * | trans | 68.2 | 135.4 | -153.4 | -49.5 | 174.4 | 177.9 | -171.4 | -2.8 | 110.9 | ||||
| 1235 | T | 27.5 | Very low | 29.1 | Very low | 139 Ų | 139 | 148 Ų | 148 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | cis | -115.9 | 179.3 | -2.9 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1236 | S | 29.3 | Very low | 29.1 | Very low | 101 Ų | 101 | 147.5 Ų | 147.5 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -144.7 | 147.2 | 8.9 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1237 | F | 26.4 | Very low | 28.9 | Very low | 216 Ų | 216 | 148.9 Ų | 148.9 | 95% | 0.947 | 76% | 0.76 | S | S | * | * | -145.3 | 138 | 127.2 | -129.6 | -82.1 | 0 | 0 | 0 | 106 | |||||
| 1238 | D | 25.5 | Very low | 28.9 | Very low | 140 Ų | 140 | 152.3 Ų | 152.3 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -149.2 | 123.5 | -173 | -176.1 | 10.2 | 0 | 0 | 0 | 108.1 | ||||
| 1239 | E | 28.8 | Very low | 28.7 | Very low | 176 Ų | 176 | 150.1 Ų | 150.1 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -172.8 | 144.4 | 140.3 | -111.4 | -169 | 138.1 | 0 | 0 | 112.2 | ||||
| 1240 | S | 30.4 | Very low | 28.5 | Very low | 105 Ų | 105 | 150.3 Ų | 150.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | 75.8 | 140.9 | 158.8 | 78.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1241 | I | 30.5 | Very low | 28.6 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 64% | 0.641 | 79% | 0.787 | S | S | * | * | cis | -164.2 | 129.9 | -39.9 | -124.6 | 164.1 | 0 | 0 | 0 | 110 | ||||
| 1242 | R | 30.1 | Very low | 28.6 | Very low | 210 Ų | 210 | 145.4 Ų | 145.4 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | 63.6 | 156.4 | 160.2 | -59 | 174 | -155.8 | -178.5 | 5.3 | 116.3 | ||||
| 1243 | N | 30.2 | Very low | 28.8 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | cis | -161.9 | 167.6 | -14.1 | -117.2 | 85.7 | 0 | 0 | 0 | 105.6 | ||||
| 1244 | V | 34.2 | Very low | 28.8 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | cis | -151.3 | 172.5 | 6.1 | 66.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1245 | D | 28.1 | Very low | 28.9 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -74 | 163.6 | -177.6 | -41.6 | -96.9 | 0 | 0 | 0 | 115.7 | ||||
| 1246 | G | 32.9 | Very low | 28.9 | Very low | 77 Ų | 77 | 132.6 Ų | 132.6 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 172.1 | 123.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1247 | D | 29.4 | Very low | 28.7 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -156.3 | 174.3 | -178.4 | -153 | 27.3 | 0 | 0 | 0 | 107.5 | ||||
| 1248 | V | 30.1 | Very low | 28.7 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | cis | -147.7 | 150.7 | 20.2 | -164.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1249 | G | 29.8 | Very low | 28.7 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | trans | 167.6 | 132.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1250 | S | 26.4 | Very low | 28.7 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 88% | 0.881 | 75% | 0.754 | S | S | * | * | trans | -83.2 | 165.5 | 180 | -56.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 1251 | A | 29.4 | Very low | 28.5 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 104.8 | 114.4 | 136.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1252 | V | 26.1 | Very low | 28.3 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | trans | 32.3 | 127.3 | 130.6 | -140.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1253 | I | 29.4 | Very low | 28.2 | Very low | 152 Ų | 152 | 124 Ų | 124 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | -169.6 | 142.6 | 78.7 | -81.1 | 163.8 | 0 | 0 | 0 | 112.7 | |||||
| 1254 | N | 26 | Very low | 28.1 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | trans | 29.1 | 138.2 | 155.2 | -75.3 | 27.1 | 0 | 0 | 0 | 126.5 | ||||
| 1255 | E | 26.3 | Very low | 27.9 | Very low | 158 Ų | 158 | 125.4 Ų | 125.4 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | 106.3 | 118.5 | 123.4 | -89.6 | 171.2 | -111 | 0 | 0 | 124 | |||||
| 1256 | S | 26.7 | Very low | 27.7 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | 86.3 | 115.6 | 131 | -65.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1257 | S | 25.4 | Very low | 27.4 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | 107.7 | 138.3 | 135.8 | -160 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1258 | C | 27.6 | Very low | 27.2 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | trans | 57.2 | 103.3 | 148.6 | 62.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1259 | Y | 25.5 | Very low | 26.9 | Very low | 224 Ų | 224 | 123 Ų | 123 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | 66.9 | 145.6 | 108 | -105.2 | -65.7 | 0 | 0 | 0 | 123.5 | |||||
| 1260 | V | 28 | Very low | 26.9 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 66% | 0.661 | 75% | 0.749 | S | S | * | * | trans | 72.8 | 104.1 | 161.6 | 179.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1261 | D | 26.7 | Very low | 26.7 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | 68.5 | 149.9 | 82.3 | -60 | -35.1 | 0 | 0 | 0 | 114.1 | |||||
| 1262 | D | 26.9 | Very low | 26.6 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | cis | -171.3 | 170.8 | -23.7 | -180 | 30 | 0 | 0 | 0 | 107.5 | ||||
| 1263 | G | 28.1 | Very low | 26.7 | Very low | 54 Ų | 54 | 136.3 Ų | 136.3 | 56% | 0.557 | 74% | 0.743 | S | S | * | * | trans | 98 | 108 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1264 | T | 27.4 | Very low | 26.6 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | cis | 96.5 | 155.3 | 37.3 | 73.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1265 | L | 28.7 | Very low | 26.6 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | 78.1 | 146.7 | 176 | -48.2 | 175.5 | 0 | 0 | 0 | 117.6 | ||||
| 1266 | S | 24.9 | Very low | 26.7 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | cis | -171.6 | 143.3 | -29.7 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1267 | S | 27 | Very low | 26.7 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | trans | 54 | 119.2 | 159.9 | -80.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1268 | E | 24.2 | Very low | 26.9 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | 56.2 | 143.2 | 123.2 | -63.2 | 170.8 | 111.7 | 0 | 0 | 122.2 | |||||
| 1269 | A | 25.3 | Very low | 27.2 | Very low | 88 Ų | 88 | 139.5 Ų | 139.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -171.2 | 157.6 | -14.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1270 | V | 28.1 | Very low | 27.6 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -177.9 | 113.3 | 148.9 | 137.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1271 | R | 23.7 | Very low | 27.6 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | 65 | 123.8 | 90.5 | -124.3 | -177 | 166.9 | 175.9 | -2.6 | 113 | |||||
| 1272 | W | 26.1 | Very low | 27.7 | Very low | 187 Ų | 187 | 133.2 Ų | 133.2 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | cis | -140.9 | 158.6 | 12.9 | -56 | 67.8 | 0 | 0 | 0 | 109.3 | ||||
| 1273 | H | 28.2 | Very low | 28 | Very low | 189 Ų | 189 | 134.2 Ų | 134.2 | 88% | 0.875 | 74% | 0.74 | S | S | * | * | -157.7 | -158.7 | 83.7 | -116.6 | -98 | 0 | 0 | 0 | 113.3 | |||||
| 1274 | K | 27.5 | Very low | 28.3 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | trans | -140.1 | 146.4 | -140.2 | -177.4 | 172.8 | 178 | -87.5 | 0 | 115.7 | ||||
| 1275 | E | 25.1 | Very low | 28.4 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | 71.6 | 144.6 | 165.4 | -84 | 148.9 | -178.6 | 0 | 0 | 120.3 | ||||
| 1276 | G | 28.9 | Very low | 28.6 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | 154.8 | 56.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1277 | T | 28.3 | Very low | 28.9 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | trans | -79.3 | 130.1 | -176 | 43.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1278 | L | 29.5 | Very low | 29.2 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 89% | 0.89 | 71% | 0.711 | S | S | * | * | trans | -134.6 | 150.1 | 159.8 | -77.6 | 176 | 0 | 0 | 0 | 110.9 | ||||
| 1279 | P | 33.1 | Very low | 29.5 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | trans | -85.7 | 159.6 | -169.6 | 34.2 | -36.1 | 0 | 0 | 0 | 114.7 | ||||
| 1280 | S | 32.9 | Very low | 29.7 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 67% | 0.671 | 69% | 0.69 | S | S | * | * | trans | -65 | 145.8 | -167.1 | 46.2 | 0 | 0 | 0 | 0 | 118.2 | E1282 | S1280-E1282 PolarHBondContact O-N 2.88Å; S1280-E1282 VanDerWaalsContact O-N 3.12Å | ||
| 1281 | D | 28.9 | Very low | 29.7 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | trans | -61.1 | 102.3 | 157.9 | -80.4 | -61.1 | 0 | 0 | 0 | 112.1 | ||||
| 1282 | E | 29.8 | Very low | 30 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 51% | 0.514 | 67% | 0.666 | S | S | . | * | trans | -107 | -19.4 | 176 | -160.2 | 154 | -135.2 | 0 | 0 | 113 | P252 S1280 K1285 | P252-E1282 WeakPolarHBondContact CB-OE2 3.44Å; S1280-E1282 PolarHBondContact O-N 2.88Å; S1280-E1282 VanDerWaalsContact O-N 3.12Å; E1282-K1285 PolarHBondContact O-N 3.37Å | ||
| 1283 | F | 32.8 | Very low | 30.2 | Very low | 168 Ų | 168 | 117.8 Ų | 117.8 | 74% | 0.737 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.8 | -27.7 | -178.3 | -160.7 | -112.7 | 0 | 0 | 0 | 114 | K1285 | F1283-K1285 VanDerWaalsContact C-N 3.33Å |
| 1284 | A | 34 | Very low | 30.3 | Very low | 58 Ų | 58 | 114.6 Ų | 114.6 | 48% | 0.479 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -72.6 | -23.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1285 | K | 30.3 | Very low | 30.5 | Very low | 145 Ų | 145 | 114.2 Ų | 114.2 | 63% | 0.63 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -85.7 | -41.4 | -172.4 | -75.4 | -179.5 | 176.5 | 173.7 | 0 | 113.8 | E1282 F1283 T1287 L1288 C1289 | E1282-K1285 PolarHBondContact O-N 3.37Å; F1283-K1285 VanDerWaalsContact C-N 3.33Å; K1285-T1287 VanDerWaalsContact C-N 3.31Å; K1285-T1287 PolarHBondContact O-N 2.98Å; K1285-L1288 PolarHBondContact O-N 2.95Å; K1285-C1289 WeakPolarHBondContact O-CB 3.45Å; K1285-C1289 PolarHBondContact O-N 2.8Å; K1285-C1289 PolarHBondContact O-SG 3.29Å |
| 1286 | E | 31.9 | Very low | 30.6 | Very low | 138 Ų | 138 | 115.2 Ų | 115.2 | 65% | 0.645 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -61 | -39.5 | 178.2 | -73.4 | -163.4 | 115.3 | 0 | 0 | 112.6 | S1290 | E1286-S1290 WeakPolarHBondContact O-CB 3.46Å; E1286-S1290 PolarHBondContact O-N 3.16Å; E1286-S1290 VanDerWaalsContact O-N 3.07Å; E1286-S1290 PolarHBondContact O-OG 3.09Å |
| 1287 | T | 32.2 | Very low | 30.5 | Very low | 81 Ų | 81 | 116 Ų | 116 | 50% | 0.497 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -66.4 | -39 | -179.7 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | K1285 | K1285-T1287 VanDerWaalsContact C-N 3.31Å; K1285-T1287 PolarHBondContact O-N 2.98Å |
| 1288 | L | 32.3 | Very low | 30.4 | Very low | 119 Ų | 119 | 115.2 Ų | 115.2 | 62% | 0.623 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -78.9 | -36.4 | 178.5 | -70 | 173.5 | 0 | 0 | 0 | 112.8 | K1285 S1290 L1291 A1292 | K1285-L1288 PolarHBondContact O-N 2.95Å; L1288-S1290 VanDerWaalsContact C-N 3.28Å; L1288-S1290 PolarHBondContact O-N 3.32Å; L1288-L1291 PolarHBondContact O-N 3.41Å; L1288-L1291 VanDerWaalsContact O-N 3.16Å; L1288-A1292 PolarHBondContact O-N 3.12Å |
| 1289 | C | 29.6 | Very low | 30.4 | Very low | 86 Ų | 86 | 113.2 Ų | 113.2 | 58% | 0.581 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.7 | -33 | 175.4 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | K1285 L1291 S1293 | K1285-C1289 WeakPolarHBondContact O-CB 3.45Å; K1285-C1289 PolarHBondContact O-N 2.8Å; K1285-C1289 PolarHBondContact O-SG 3.29Å; C1289-L1291 VanDerWaalsContact C-N 3.29Å; C1289-L1291 PolarHBondContact O-N 3.45Å; C1289-S1293 PolarHBondContact O-N 2.85Å |
| 1290 | S | 30.3 | Very low | 30.2 | Very low | 78 Ų | 78 | 111 Ų | 111 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -71.4 | -20 | 175 | -58 | 0 | 0 | 0 | 0 | 113.9 | E1286 L1288 | E1286-S1290 WeakPolarHBondContact O-CB 3.46Å; E1286-S1290 PolarHBondContact O-N 3.16Å; E1286-S1290 VanDerWaalsContact O-N 3.07Å; E1286-S1290 PolarHBondContact O-OG 3.09Å; L1288-S1290 VanDerWaalsContact C-N 3.28Å; L1288-S1290 PolarHBondContact O-N 3.32Å |
| 1291 | L | 28.8 | Very low | 30.1 | Very low | 98 Ų | 98 | 111.5 Ų | 111.5 | 51% | 0.513 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -92.6 | -36.8 | 175.7 | -82 | 163.5 | 0 | 0 | 0 | 112.4 | L1288 C1289 S1293 I1294 | L1288-L1291 PolarHBondContact O-N 3.41Å; L1288-L1291 VanDerWaalsContact O-N 3.16Å; C1289-L1291 VanDerWaalsContact C-N 3.29Å; C1289-L1291 PolarHBondContact O-N 3.45Å; L1291-S1293 VanDerWaalsContact C-N 3.28Å; L1291-S1293 PolarHBondContact O-N 3Å; L1291-I1294 PolarHBondContact O-N 2.71Å |
| 1292 | A | 30.4 | Very low | 30.2 | Very low | 59 Ų | 59 | 113.1 Ų | 113.1 | 49% | 0.488 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -56.6 | -43.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1288 I1294 I1295 | L1288-A1292 PolarHBondContact O-N 3.12Å; A1292-I1294 PolarHBondContact O-N 3.39Å; A1292-I1295 PolarHBondContact O-N 3.05Å |
| 1293 | S | 29.5 | Very low | 30.3 | Very low | 94 Ų | 94 | 112.5 Ų | 112.5 | 66% | 0.657 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.6 | 2.2 | -179.7 | -170.5 | 0 | 0 | 0 | 0 | 115.6 | C1289 L1291 | C1289-S1293 PolarHBondContact O-N 2.85Å; L1291-S1293 VanDerWaalsContact C-N 3.28Å; L1291-S1293 PolarHBondContact O-N 3Å |
| 1294 | I | 30.9 | Very low | 30.2 | Very low | 122 Ų | 122 | 116.4 Ų | 116.4 | 63% | 0.626 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -117.2 | -12.4 | 179.1 | -65.8 | 178.7 | 0 | 0 | 0 | 111.9 | L1291 A1292 | L1291-I1294 PolarHBondContact O-N 2.71Å; A1292-I1294 PolarHBondContact O-N 3.39Å |
| 1295 | I | 30.9 | Very low | 30.1 | Very low | 135 Ų | 135 | 117.8 Ų | 117.8 | 69% | 0.692 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -97.2 | -19.5 | 179.8 | -65.7 | 176.4 | 0 | 0 | 0 | 111.9 | A1292 S1297 | A1292-I1295 PolarHBondContact O-N 3.05Å; I1295-S1297 PolarHBondContact O-N 3.38Å |
| 1296 | E | 27.7 | Very low | 30.1 | Very low | 185 Ų | 185 | 114.5 Ų | 114.5 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 50.9 | 175.2 | -64 | -164.7 | 134.6 | 0 | 0 | 114.2 | ||
| 1297 | S | 26.6 | Very low | 30.2 | Very low | 93 Ų | 93 | 112.6 Ų | 112.6 | 65% | 0.65 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.7 | 18.2 | 176.2 | 67.2 | 0 | 0 | 0 | 0 | 117 | I1295 | I1295-S1297 PolarHBondContact O-N 3.38Š|
| 1298 | T | 27 | Very low | 30.1 | Very low | 124 Ų | 124 | 116 Ų | 116 | 76% | 0.761 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -140.4 | 58.4 | 178 | 38.3 | 0 | 0 | 0 | 0 | 113 | ||
| 1299 | S | 28.1 | Very low | 30.2 | Very low | 127 Ų | 127 | 117 Ų | 117 | 89% | 0.888 | 71% | 0.712 | S | S | * | * | trans | -152.4 | 120.8 | 169 | -84.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1300 | G | 30.4 | Very low | 30.2 | Very low | 76 Ų | 76 | 117.8 Ų | 117.8 | 78% | 0.784 | 72% | 0.718 | S | S | * | * | trans | 87.8 | 142.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1301 | T | 30.9 | Very low | 30.5 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | cis | -146.4 | 131.2 | 6.6 | 31.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1302 | I | 30.7 | Very low | 30.9 | Very low | 175 Ų | 175 | 121.1 Ų | 121.1 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 125.3 | 151 | -64 | 178.7 | 0 | 0 | 0 | 106.7 | ||
| 1303 | S | 30.9 | Very low | 30.9 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 129.9 | -171.4 | -75.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1304 | R | 30.8 | Very low | 30.9 | Very low | 250 Ų | 250 | 124 Ų | 124 | 94% | 0.943 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 141.8 | 169.2 | -89.9 | 176.5 | 156.7 | -177.4 | -5.4 | 112.2 | ||
| 1305 | S | 31.5 | Very low | 30.9 | Very low | 88 Ų | 88 | 123.1 Ų | 123.1 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | trans | -173.5 | 141.6 | 133 | 71.7 | 0 | 0 | 0 | 0 | 108.6 | R952 | R952-S1305 PolarHBondContact NH2-OG 2.87Š| ||
| 1306 | G | 31.5 | Very low | 30.9 | Very low | 75 Ų | 75 | 123.9 Ų | 123.9 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | cis | -165.3 | -179.4 | -6.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1307 | S | 32.8 | Very low | 30.9 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | cis | -172.4 | 159.1 | 17.6 | 47.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1308 | N | 30.6 | Very low | 31 | Very low | 154 Ų | 154 | 124 Ų | 124 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | 70.4 | 153.4 | 169.6 | -45.8 | -18.9 | 0 | 0 | 0 | 114.4 | ||||
| 1309 | V | 34 | Very low | 31.1 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | cis | -129.2 | 169.5 | 15.9 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1310 | S | 30.8 | Very low | 31 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -63.3 | 159.5 | -175.4 | -42.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1311 | P | 36.8 | Very low | 31.2 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -93.9 | 161.7 | 167.8 | 38.2 | -34.5 | 0 | 0 | 0 | 113.4 | ||||
| 1312 | P | 37.2 | Very low | 31.4 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -133.4 | 154.5 | 148.6 | 36.6 | -23.3 | 0 | 0 | 0 | 115.4 | ||||
| 1313 | T | 29.5 | Very low | 31.6 | Very low | 141 Ų | 141 | 130 Ų | 130 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | -39.3 | 150.5 | 175.3 | 49.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 1314 | G | 30 | Very low | 31.7 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 160.4 | 82.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1315 | S | 29.7 | Very low | 31.6 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | 53 | 97.8 | 68.3 | -56.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1316 | N | 31.8 | Very low | 31.5 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | -179.7 | 131.2 | 111.6 | -88.3 | -18 | 0 | 0 | 0 | 112.6 | V1318 | N1316-V1318 HydrophobicContact CB-CG2 4.47Š| |||
| 1317 | N | 27 | Very low | 32.7 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 94% | 0.936 | 77% | 0.771 | S | S | * | * | trans | -108.6 | 99 | 162.3 | -137.2 | 2.1 | 0 | 0 | 0 | 106.2 | ||||
| 1318 | V | 29.3 | Very low | 32.7 | Very low | 105 Ų | 105 | 133 Ų | 133 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | -141.4 | 126.4 | 175.3 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | N1316 F1320 | N1316-V1318 HydrophobicContact CB-CG2 4.47Å; V1318-F1320 HydrophobicContact CG1-CD2 3.95Å | ||
| 1319 | K | 28.2 | Very low | 32.8 | Very low | 192 Ų | 192 | 131.8 Ų | 131.8 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -117.6 | 104.7 | 167.3 | -177.7 | -177.1 | -179.6 | -176.9 | 0 | 108 | ||||
| 1320 | F | 26.7 | Very low | 32.7 | Very low | 195 Ų | 195 | 130.1 Ų | 130.1 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -135.8 | 133.1 | 169.6 | -96.8 | -75.9 | 0 | 0 | 0 | 111.4 | V1318 | V1318-F1320 HydrophobicContact CG1-CD2 3.95Š| ||
| 1321 | T | 35.2 | Very low | 32.6 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -124.2 | 154.7 | 177.2 | 46.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1322 | V | 35.4 | Very low | 32.3 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | cis | -158.9 | 173.8 | 8.2 | 102.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1323 | S | 34.7 | Very low | 32.3 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -4 | 167.5 | 169.9 | 73.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1324 | N | 32.5 | Very low | 32.4 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -154.2 | 162.2 | 150.9 | -141.1 | -27.7 | 0 | 0 | 0 | 114.9 | ||||
| 1325 | G | 29.6 | Very low | 32.4 | Very low | 60 Ų | 60 | 134.8 Ų | 134.8 | 62% | 0.619 | 76% | 0.759 | S | S | * | * | trans | 112.8 | 106 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1326 | Y | 28.8 | Very low | 32.6 | Very low | 233 Ų | 233 | 135.3 Ų | 135.3 | 91% | 0.914 | 76% | 0.763 | S | S | * | * | S | Bend | cis | -127.5 | 168.7 | 8.2 | -98.8 | -105.2 | 0 | 0 | 0 | 111.6 | ||
| 1327 | P | 55.7 | Low | 32.5 | Very low | 86 Ų | 86 | 136 Ų | 136 | 56% | 0.558 | 77% | 0.766 | S | S | * | * | -115.8 | 162.9 | -127.9 | 41.6 | -39.8 | 0 | 0 | 0 | 118.5 | |||||
| 1328 | N | 32.4 | Very low | 32.7 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | 180 | 128.6 | 112.6 | -89.4 | -18.9 | 0 | 0 | 0 | 113.6 | |||||
| 1329 | T | 34.2 | Very low | 32.8 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 63.3 | 154.3 | 158.9 | 60.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1330 | T | 31.4 | Very low | 32.9 | Very low | 104 Ų | 104 | 139 Ų | 139 | 64% | 0.638 | 78% | 0.775 | S | S | * | * | cis | -166.5 | 139.9 | -28.9 | 27.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1331 | E | 29.3 | Very low | 33 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 60.5 | -179.4 | 150.6 | -65.4 | 178.2 | -110.9 | 0 | 0 | 118 | ||||
| 1332 | L | 29.4 | Very low | 32.6 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | cis | -133.6 | 174.8 | 7.3 | -106.9 | 102.4 | 0 | 0 | 0 | 112.5 | ||||
| 1333 | P | 38.5 | Very low | 32.3 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -117.4 | -142.4 | -164.6 | 43.2 | -31.6 | 0 | 0 | 0 | 117.6 | ||||
| 1334 | S | 31 | Very low | 31.9 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -141.4 | 159.5 | -130.9 | 57.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1335 | C | 29.3 | Very low | 31.8 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 62.3 | 108.3 | 148.9 | -72.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1336 | S | 33.5 | Very low | 31.9 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 46.5 | 114.8 | 133.9 | 63 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1337 | D | 31.3 | Very low | 31.9 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | -155.8 | 176.7 | 115.6 | -142.6 | -30 | 0 | 0 | 0 | 111.6 | |||||
| 1338 | K | 30.6 | Very low | 30.8 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -94.9 | 136.1 | -172.1 | -74.8 | -178.5 | 177.7 | 174.8 | 0 | 115.5 | ||||
| 1339 | V | 31.7 | Very low | 30.8 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 92% | 0.915 | 77% | 0.766 | S | S | * | * | trans | -132.5 | 158.9 | 159.8 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1340 | K | 28.9 | Very low | 30.5 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -132.6 | 175.5 | -171.6 | -173.4 | 178.7 | 175.3 | -174.7 | 0 | 110 | ||||
| 1341 | V | 28.6 | Very low | 30.4 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | trans | 83.8 | 98.1 | 176.5 | -171.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1342 | T | 28.5 | Very low | 30.3 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | 59.2 | 146.1 | 81.5 | 73.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1343 | S | 28.8 | Very low | 30.3 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -153.9 | 153.3 | 24.6 | -42.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1344 | S | 26.2 | Very low | 30.1 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -33.3 | 147.5 | 157.8 | 52.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1345 | S | 30.6 | Very low | 30.1 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -174.2 | 151.4 | 152.8 | -85 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1346 | Q | 31.3 | Very low | 30.1 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | cis | -167.3 | 153.3 | -5.9 | -118.3 | 174.2 | 59.3 | 0 | 0 | 112.9 | ||||
| 1347 | N | 29.7 | Very low | 29.9 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 60.6 | 167 | 151.8 | -47.9 | -26.6 | 0 | 0 | 0 | 118.3 | ||||
| 1348 | V | 32.6 | Very low | 29.5 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | cis | -135.2 | 127.1 | 6.9 | -170.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1349 | S | 30.6 | Very low | 29.2 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | 51.1 | 142 | 87.7 | 136.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 1350 | H | 28.1 | Very low | 28.8 | Very low | 166 Ų | 166 | 124.5 Ų | 124.5 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | cis | -170 | 170 | -11.9 | -151.6 | -76.8 | 0 | 0 | 0 | 107.7 | ||||
| 1351 | I | 30.3 | Very low | 28.6 | Very low | 165 Ų | 165 | 123 Ų | 123 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | 75.3 | 132.5 | 168.4 | -50.9 | 156.8 | 0 | 0 | 0 | 115.1 | ||||
| 1352 | G | 27.2 | Very low | 28.7 | Very low | 74 Ų | 74 | 124.6 Ų | 124.6 | 76% | 0.763 | 74% | 0.736 | S | S | * | * | trans | 152.2 | 57.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1353 | V | 29.1 | Very low | 28.9 | Very low | 141 Ų | 141 | 124 Ų | 124 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | trans | -88 | 136.7 | 158.3 | 179.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1354 | P | 35.1 | Very low | 29 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 60% | 0.604 | 73% | 0.729 | S | S | * | * | cis | -144.5 | -165.5 | 48.9 | 25 | 3.1 | 0 | 0 | 0 | 115.8 | ||||
| 1355 | H | 30.6 | Very low | 29.2 | Very low | 163 Ų | 163 | 126.4 Ų | 126.4 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | 70.8 | 116.8 | 164.1 | -59.8 | -59.3 | 0 | 0 | 0 | 116.8 | ||||
| 1356 | S | 28.5 | Very low | 29.1 | Very low | 89 Ų | 89 | 128.5 Ų | 128.5 | 62% | 0.622 | 72% | 0.72 | S | S | * | * | cis | 77.4 | 151 | 47.5 | 84.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1357 | S | 28.8 | Very low | 29.1 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | trans | 52.7 | 103.5 | 160.2 | 49 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1358 | S | 23.7 | Very low | 29 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | 54.3 | 115.6 | 70.5 | -46.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1359 | S | 24 | Very low | 28.6 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | trans | 76 | 145.9 | 141.1 | 81.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1360 | K | 24.4 | Very low | 28.5 | Very low | 187 Ų | 187 | 127.2 Ų | 127.2 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | 69.9 | 164.7 | 161.4 | -54.1 | 153.7 | -173.8 | 172.3 | 0 | 114.2 | ||||
| 1361 | L | 24.2 | Very low | 28.6 | Very low | 157 Ų | 157 | 128 Ų | 128 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | cis | -108.4 | 156.6 | -9.8 | -68.6 | 73.7 | 0 | 0 | 0 | 107.7 | ||||
| 1362 | I | 29.9 | Very low | 28.5 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | 174.4 | 132.1 | 85.3 | -85.1 | 172.7 | 0 | 0 | 0 | 102.8 | |||||
| 1363 | T | 33.3 | Very low | 28.4 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 68% | 0.681 | 72% | 0.721 | S | S | * | * | cis | -153 | -179 | 3.6 | 14.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1364 | N | 30.3 | Very low | 28.4 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 65% | 0.652 | 72% | 0.718 | S | S | * | * | trans | 10.2 | 139.1 | 137.5 | -53 | 33.7 | 0 | 0 | 0 | 117.2 | ||||
| 1365 | E | 30.5 | Very low | 27.9 | Very low | 141 Ų | 141 | 132 Ų | 132 | 66% | 0.659 | 72% | 0.723 | S | S | * | * | cis | -166.2 | 178 | 11.8 | -125.7 | 165.9 | -107.5 | 0 | 0 | 111.4 | ||||
| 1366 | K | 29.8 | Very low | 27.8 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 63% | 0.626 | 73% | 0.731 | S | S | * | * | trans | 34.4 | 137.7 | 144.9 | -76 | 168.9 | 165.1 | -102.7 | 0 | 123.1 | ||||
| 1367 | E | 30.1 | Very low | 27.8 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | 72.4 | 153.2 | 132.9 | -69.6 | 161.2 | -146.2 | 0 | 0 | 120.9 | ||||
| 1368 | G | 28.8 | Very low | 28.2 | Very low | 62 Ų | 62 | 137 Ų | 137 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | 111.3 | 71.8 | 128.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | T1370 | G1368-T1370 PolarHBondContact O-N 3.05Š| |||
| 1369 | C | 23.6 | Very low | 28.4 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 93% | 0.932 | 74% | 0.738 | S | S | * | * | trans | -77.5 | 99.2 | 146.8 | 175 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1370 | T | 29.5 | Very low | 29.1 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | trans | -141.2 | 127.4 | 168.3 | 45.5 | 0 | 0 | 0 | 0 | 113.2 | G1368 | G1368-T1370 PolarHBondContact O-N 3.05Š| ||
| 1371 | K | 28.5 | Very low | 30 | Very low | 184 Ų | 184 | 135.2 Ų | 135.2 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | 65 | 104.4 | 138.4 | -68.1 | -170.5 | 175.1 | -173.5 | 0 | 119.4 | ||||
| 1372 | T | 28.9 | Very low | 30.4 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 63% | 0.632 | 74% | 0.74 | S | S | * | * | 38.3 | 133.7 | 105.2 | 61.1 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1373 | Q | 24.8 | Very low | 30.5 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | 49.3 | 143.3 | 131.3 | -68.1 | 159.9 | -54.9 | 0 | 0 | 118.9 | ||||
| 1374 | E | 28.5 | Very low | 31.4 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | cis | -158.1 | 177.3 | 40.9 | -152.2 | 160.1 | -135.2 | 0 | 0 | 114.3 | ||||
| 1375 | T | 26.6 | Very low | 31.5 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | trans | -54.8 | 150.7 | -176.8 | 60.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 1376 | R | 28.3 | Very low | 31.7 | Very low | 244 Ų | 244 | 135.3 Ų | 135.3 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | -166.4 | 149.1 | 117.1 | -110.8 | 172.4 | -172.6 | -173.3 | 2.7 | 115.4 | |||||
| 1377 | S | 27.1 | Very low | 31.8 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | -87.8 | -179.1 | 159.5 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1378 | P | 37 | Very low | 31.8 | Very low | 105 Ų | 105 | 132 Ų | 132 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | cis | -133 | 166.3 | -11 | 39.1 | -22.6 | 0 | 0 | 0 | 115.7 | ||||
| 1379 | S | 29.1 | Very low | 31.9 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 63.5 | 149.6 | 150.4 | 47 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1380 | P | 39.1 | Very low | 32.4 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | -90.9 | -177.7 | -176 | 42.2 | -40.4 | 0 | 0 | 0 | 112.9 | ||||
| 1381 | P | 42.9 | Very low | 32.7 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | cis | -133.6 | -154.7 | 29.5 | 37 | -11 | 0 | 0 | 0 | 114 | ||||
| 1382 | H | 32.4 | Very low | 32.9 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | cis | -157.5 | 179.6 | 17.8 | -163 | -97.6 | 0 | 0 | 0 | 114.3 | ||||
| 1383 | F | 31.3 | Very low | 33 | Very low | 175 Ų | 175 | 127.4 Ų | 127.4 | 77% | 0.768 | 77% | 0.766 | S | S | * | * | trans | -97 | 167.5 | -179.7 | -75.8 | -109.3 | 0 | 0 | 0 | 115.1 | ||||
| 1384 | P | 52.7 | Low | 33.4 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | trans | -109.4 | 155.8 | 143.4 | 37.5 | -28.8 | 0 | 0 | 0 | 114.4 | ||||
| 1385 | D | 32.4 | Very low | 33.7 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | 62.5 | 91 | 150.3 | -58.1 | -14.6 | 0 | 0 | 0 | 123.8 | ||||
| 1386 | A | 34.8 | Very low | 34.1 | Very low | 81 Ų | 81 | 125 Ų | 125 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | 87.8 | 120.2 | 105.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1387 | T | 30.9 | Very low | 34.3 | Very low | 136 Ų | 136 | 122.3 Ų | 122.3 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | 66.9 | 141 | 148 | 55.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1388 | S | 30 | Very low | 35 | Very low | 101 Ų | 101 | 122.8 Ų | 122.8 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | cis | -170.4 | 145.6 | -16.5 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1389 | A | 32.4 | Very low | 34.7 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | trans | 64.3 | 155 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1390 | A | 34.3 | Very low | 34.8 | Very low | 81 Ų | 81 | 127.9 Ų | 127.9 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | cis | -155.9 | 156.4 | 3.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1391 | L | 34.4 | Very low | 34.2 | Very low | 180 Ų | 180 | 130.3 Ų | 130.3 | 94% | 0.942 | 76% | 0.756 | S | S | * | * | trans | 62.9 | 144.4 | 155.6 | -55.8 | 162.9 | 0 | 0 | 0 | 118.3 | ||||
| 1392 | G | 32.2 | Very low | 34.1 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | cis | 161.4 | 148.3 | -10.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1393 | G | 32.3 | Very low | 34.1 | Very low | 65 Ų | 65 | 126.5 Ų | 126.5 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | trans | 105.3 | 120.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1394 | L | 33 | Very low | 34 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | 70.2 | 131.7 | 50.7 | -58.9 | 160.3 | 0 | 0 | 0 | 111.7 | |||||
| 1395 | H | 35.4 | Very low | 32.9 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | cis | -133.9 | 140.4 | 35 | -101.8 | -115.3 | 0 | 0 | 0 | 112 | ||||
| 1396 | N | 33.3 | Very low | 32.6 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 49% | 0.492 | 75% | 0.75 | S | S | . | * | 73.3 | 143.3 | 74.2 | -75.9 | -43 | 0 | 0 | 0 | 114.5 | |||||
| 1397 | K | 34.1 | Very low | 32.4 | Very low | 186 Ų | 186 | 128.2 Ų | 128.2 | 81% | 0.809 | 75% | 0.754 | S | S | * | * | cis | -163.6 | -165.8 | -9.9 | -123.3 | -174.9 | -177.7 | 179.2 | 0 | 111.2 | ||||
| 1398 | P | 41.4 | Very low | 32.3 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -119.2 | -160.9 | -148.6 | 45.4 | -27.2 | 0 | 0 | 0 | 113.7 | ||||
| 1399 | S | 29.7 | Very low | 32.4 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | 175.7 | 122.7 | 125.3 | -172.8 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1400 | Y | 31.3 | Very low | 32.6 | Very low | 222 Ų | 222 | 130.8 Ų | 130.8 | 87% | 0.871 | 74% | 0.744 | S | S | * | * | trans | 55.6 | 134.4 | 142.3 | -78.9 | -100.4 | 0 | 0 | 0 | 126.6 | ||||
| 1401 | Q | 27.2 | Very low | 32.4 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -78 | -163.6 | 158.5 | -121.2 | -174.9 | 4.6 | 0 | 0 | 111 | ||||
| 1402 | P | 40.6 | Very low | 32.2 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 60% | 0.597 | 74% | 0.735 | S | S | * | * | cis | -140.8 | 170.1 | -3.7 | 26.7 | -0.9 | 0 | 0 | 0 | 119.2 | ||||
| 1403 | T | 31.9 | Very low | 32.2 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | trans | 50.3 | 112.7 | 143.8 | 58.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1404 | D | 28.8 | Very low | 32.2 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | 46.2 | 128.1 | 112.6 | -46.4 | -34.9 | 0 | 0 | 0 | 123.6 | |||||
| 1405 | I | 30.1 | Very low | 31.9 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 90% | 0.903 | 73% | 0.728 | S | S | * | * | trans | -166.8 | 160.7 | 133.2 | -103.6 | 160 | 0 | 0 | 0 | 110.5 | ||||
| 1406 | C | 27.2 | Very low | 31.5 | Very low | 108 Ų | 108 | 136 Ų | 136 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | trans | -89.7 | 165.7 | -163.8 | -65.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1407 | T | 30.3 | Very low | 31.3 | Very low | 123 Ų | 123 | 135 Ų | 135 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | 81.3 | 138.8 | 147.3 | 36.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1408 | N | 28.8 | Very low | 30.9 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | 78.6 | 88.2 | 153.3 | -58.5 | -15.7 | 0 | 0 | 0 | 121.6 | ||||
| 1409 | I | 32.1 | Very low | 30.2 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | 24.8 | 122.3 | 103.4 | -56.9 | 176.3 | 0 | 0 | 0 | 114.4 | |||||
| 1410 | P | 37.4 | Very low | 30.2 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | -151 | 163.4 | 65.2 | 42.4 | -24.2 | 0 | 0 | 0 | 119.5 | |||||
| 1411 | T | 30.1 | Very low | 29.8 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 75% | 0.745 | S | S | * | * | trans | 59.2 | 156.5 | 148.9 | 49.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1412 | N | 29.4 | Very low | 30 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 65% | 0.647 | 74% | 0.743 | S | S | * | * | cis | -154 | 170 | 14.1 | -142.3 | -18.2 | 0 | 0 | 0 | 114 | ||||
| 1413 | Q | 32.1 | Very low | 29.3 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | trans | 70.4 | 113.7 | 153.9 | -76.2 | 161.9 | 49.5 | 0 | 0 | 119.1 | ||||
| 1414 | H | 32.8 | Very low | 29.4 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | 74.5 | 117.2 | 93.4 | -84.8 | -122.2 | 0 | 0 | 0 | 113.4 | |||||
| 1415 | S | 25.9 | Very low | 29.6 | Very low | 87 Ų | 87 | 138.7 Ų | 138.7 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | cis | 94.4 | 146.2 | 40.9 | 80.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 1416 | L | 26.9 | Very low | 29.5 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | trans | 76.5 | 162.4 | 171.7 | -56.7 | 165.3 | 0 | 0 | 0 | 118.4 | ||||
| 1417 | G | 29.1 | Very low | 30 | Very low | 71 Ų | 71 | 135.7 Ų | 135.7 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | 92.6 | 88.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1418 | R | 26.9 | Very low | 29.9 | Very low | 235 Ų | 235 | 138 Ų | 138 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | cis | 75.7 | 105 | 35 | -146.5 | -155.9 | -169.3 | -176.8 | 4.8 | 114.3 | ||||
| 1419 | S | 25.1 | Very low | 30.1 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | trans | 37.1 | 122.4 | 149.1 | 62.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1420 | N | 29.6 | Very low | 29.8 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | -170.5 | 139.7 | 111.6 | -85 | -27.5 | 0 | 0 | 0 | 108.4 | |||||
| 1421 | L | 24.4 | Very low | 30 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | cis | 82.4 | 80.2 | 39.8 | -165.3 | 83.2 | 0 | 0 | 0 | 114.2 | ||||
| 1422 | A | 31.1 | Very low | 30 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | -163.2 | 98.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1423 | Q | 25.8 | Very low | 30 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | 40.6 | 103.3 | 83.5 | -71.8 | -165.8 | -8.3 | 0 | 0 | 114.7 | |||||
| 1424 | K | 33.2 | Very low | 29.8 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -150.5 | 119.1 | 136.3 | -123.4 | 175.6 | -177.2 | 179.4 | 0 | 112.5 | ||||
| 1425 | T | 34 | Very low | 29.5 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | 49.6 | 104.7 | 146.6 | 52.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1426 | S | 26.8 | Very low | 29.6 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -47.9 | 169.5 | 135.5 | -34.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1427 | P | 38.7 | Very low | 29.8 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | cis | -146.1 | 176.1 | 18.4 | 42.7 | -22.9 | 0 | 0 | 0 | 119.2 | ||||
| 1428 | Q | 28.7 | Very low | 29.7 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 86.2 | 149.2 | 139.1 | -111.6 | -176.5 | 18.1 | 0 | 0 | 122.5 | ||||
| 1429 | I | 32.7 | Very low | 30 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | trans | 79.8 | 143.4 | 165.2 | -60.1 | 159.9 | 0 | 0 | 0 | 116.3 | ||||
| 1430 | S | 26.1 | Very low | 30.2 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -156.9 | -177.5 | -167.1 | 66.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1431 | P | 40.9 | Very low | 30.2 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | cis | -130.7 | -155.8 | -20.1 | 29.3 | -5.5 | 0 | 0 | 0 | 112.1 | ||||
| 1432 | Q | 30.6 | Very low | 30.5 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | 99.4 | 104.5 | 146 | -83.8 | 174.3 | -2.4 | 0 | 0 | 122.7 | ||||
| 1433 | S | 29.1 | Very low | 30.2 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | 56.6 | 91.2 | 129 | 59.2 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1434 | V | 27 | Very low | 30.6 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | 31.7 | 133 | 110.9 | -175.8 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1435 | V | 27.5 | Very low | 30.3 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | -117.7 | 139.9 | 170.4 | 174.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1436 | I | 27.6 | Very low | 30.1 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -43 | 157.9 | 179.5 | -24.8 | 174.5 | 0 | 0 | 0 | 119.3 | ||||
| 1437 | I | 30 | Very low | 30.2 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | 110.8 | 128.7 | 150.6 | -58.8 | 178.1 | 0 | 0 | 0 | 118.4 | ||||
| 1438 | D | 28.1 | Very low | 29.6 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | -84.8 | 170 | -175.5 | -52.4 | -95.3 | 0 | 0 | 0 | 116.5 | ||||
| 1439 | S | 33.9 | Very low | 29.3 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | -177.4 | 142.7 | 115.6 | -84.8 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1440 | N | 29.2 | Very low | 29.1 | Very low | 124 Ų | 124 | 134 Ų | 134 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | trans | 82.6 | 105.5 | 150.4 | -74.7 | -54.9 | 0 | 0 | 0 | 123.6 | ||||
| 1441 | K | 28.7 | Very low | 29 | Very low | 195 Ų | 195 | 137 Ų | 137 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | 71.2 | 149 | 129.1 | -62.5 | 172.3 | -177.2 | 175.4 | 0 | 118.6 | |||||
| 1442 | A | 30.8 | Very low | 28.3 | Very low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | cis | -142.1 | 173.1 | 15.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1443 | L | 24.3 | Very low | 28.1 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -129 | 158.1 | 170.5 | -109 | 166 | 0 | 0 | 0 | 106.8 | ||||
| 1444 | P | 35.5 | Very low | 28.1 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | -148.2 | -172 | 70.1 | 39.9 | -18.9 | 0 | 0 | 0 | 116.4 | |||||
| 1445 | S | 27 | Very low | 28.1 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -88.4 | 157.1 | -174.1 | 54.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1446 | S | 29.9 | Very low | 28.3 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | 175 | 131.1 | 108.2 | 62.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1447 | V | 27 | Very low | 28.3 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | 47.8 | 102.5 | 127.1 | -175.8 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1448 | W | 26.1 | Very low | 28.3 | Very low | 246 Ų | 246 | 134.1 Ų | 134.1 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | -179.4 | 177.9 | 102.9 | -117 | 7.1 | 0 | 0 | 0 | 115.8 | |||||
| 1449 | S | 23.3 | Very low | 28.3 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | -53 | 151 | -171.5 | -50 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1450 | V | 28.6 | Very low | 28.2 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | -109 | 95.7 | 148.1 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | T1452 | V1450-T1452 HydrophobicContact CG1-CG2 4.01Š| ||
| 1451 | Q | 24.3 | Very low | 28.2 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | trans | -95.7 | 104.4 | 165.3 | -176.6 | 175.4 | 4.4 | 0 | 0 | 107.1 | N1453 | Q1451-N1453 PolarHBondContact O-N 2.79Š| ||
| 1452 | T | 26.2 | Very low | 28 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -74.8 | 115 | 178.5 | 51 | 0 | 0 | 0 | 0 | 110.3 | V1450 | V1450-T1452 HydrophobicContact CG1-CG2 4.01Š| ||
| 1453 | N | 26.8 | Very low | 28.1 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | trans | -149 | 114.1 | 165.7 | -116.8 | -14.5 | 0 | 0 | 0 | 112 | Q1451 | Q1451-N1453 PolarHBondContact O-N 2.79Š| ||
| 1454 | N | 27.7 | Very low | 28.3 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 30.3 | 136.2 | 141.3 | -51.6 | -20.8 | 0 | 0 | 0 | 120.4 | ||||
| 1455 | N | 28.4 | Very low | 28.3 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | -160.3 | 160.7 | 104.7 | -124 | -41.4 | 0 | 0 | 0 | 116.8 | |||||
| 1456 | L | 30.2 | Very low | 28.4 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | 64 | 125.7 | 161.1 | -69.4 | 153 | 0 | 0 | 0 | 118.8 | ||||
| 1457 | G | 28.4 | Very low | 28.3 | Very low | 77 Ų | 77 | 140.9 Ų | 140.9 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -168.9 | -35.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1458 | S | 29.5 | Very low | 28.6 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 78.9 | 156.4 | 169.7 | -157.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1459 | R | 29.2 | Very low | 28.8 | Very low | 229 Ų | 229 | 136.3 Ų | 136.3 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | 80.6 | 116.6 | 163.6 | -78.1 | -171.6 | 174.4 | -166 | -2.7 | 122.5 | ||||
| 1460 | V | 30.9 | Very low | 29.2 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | 98.1 | 102.2 | 133 | 174.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1461 | S | 29.8 | Very low | 29.2 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 74 | 120.7 | 140.8 | -62.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1462 | E | 24.2 | Very low | 29.5 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -65.9 | 170.2 | 147.1 | -54.2 | 178.4 | 108.9 | 0 | 0 | 111.3 | ||||
| 1463 | P | 33.8 | Very low | 29.6 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | -138.1 | 158.8 | 96.5 | 38.7 | -28.4 | 0 | 0 | 0 | 115.1 | |||||
| 1464 | S | 28.3 | Very low | 29.6 | Very low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | -75.2 | 157.5 | 179.6 | -22.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1465 | P | 35.7 | Very low | 29.8 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -82.6 | 130.3 | 161.3 | 33 | -30.7 | 0 | 0 | 0 | 111 | ||||
| 1466 | R | 28.4 | Very low | 29.8 | Very low | 255 Ų | 255 | 137.5 Ų | 137.5 | 96% | 0.962 | 77% | 0.766 | S | S | * | * | trans | -144.7 | 137.3 | 170.9 | -148.8 | -179.8 | -166 | -154.8 | 4.4 | 110.9 | ||||
| 1467 | G | 28.6 | Very low | 29.9 | Very low | 69 Ų | 69 | 136.2 Ų | 136.2 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | 94 | 143 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1468 | S | 31.3 | Very low | 29.8 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | cis | -157.8 | 140.1 | 7 | -80.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1469 | Q | 31.4 | Very low | 29.7 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | 73 | 118.7 | 146.7 | -68.2 | -169.6 | 25 | 0 | 0 | 123.3 | ||||
| 1470 | K | 31.4 | Very low | 29.8 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 74% | 0.735 | 75% | 0.751 | S | S | * | * | 84.1 | 96.2 | 121.9 | -71.4 | -177.6 | 178.7 | 179.2 | 0 | 122.5 | |||||
| 1471 | S | 29.3 | Very low | 29.8 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | 58.1 | 134.4 | 113 | 65.1 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1472 | K | 29.6 | Very low | 29.9 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | trans | -70.2 | -177.7 | 161.3 | -67.8 | 178 | 177.3 | 172.6 | 0 | 112.7 | ||||
| 1473 | T | 28.6 | Very low | 30.1 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | trans | 101.3 | 149.9 | 173.8 | 66.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1474 | Q | 27.9 | Very low | 30 | Very low | 87 Ų | 87 | 134 Ų | 134 | 41% | 0.407 | 75% | 0.75 | S | S | . | * | cis | -174.9 | 154.4 | -24.6 | 171.9 | 176.4 | -2.5 | 0 | 0 | 106.4 | ||||
| 1475 | L | 31.9 | Very low | 29.8 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | 165.5 | 172.4 | 134.3 | -88.3 | 166.3 | 0 | 0 | 0 | 113.8 | ||||
| 1476 | D | 27.4 | Very low | 29.7 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | trans | -128.2 | 168.9 | -154.2 | -96.6 | -64.5 | 0 | 0 | 0 | 113 | ||||
| 1477 | I | 31.5 | Very low | 29.6 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | trans | 59.3 | 113 | 147.6 | -70.1 | 164.3 | 0 | 0 | 0 | 116.4 | ||||
| 1478 | Q | 27.3 | Very low | 29.7 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | 59.2 | 142.1 | 91.6 | -95.5 | -176.6 | 17 | 0 | 0 | 114.3 | |||||
| 1479 | L | 27.6 | Very low | 29.6 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | cis | -159.1 | 130.2 | 14.5 | -155.3 | 159.5 | 0 | 0 | 0 | 110.4 | ||||
| 1480 | S | 31 | Very low | 29.6 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -174.8 | 146.3 | 149.5 | 27 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1481 | Q | 30.5 | Very low | 29.4 | Very low | 183 Ų | 183 | 127.8 Ų | 127.8 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | -99.8 | 170 | 168.2 | -92.4 | -160.4 | 49 | 0 | 0 | 109.2 | ||||
| 1482 | P | 31.9 | Very low | 29.4 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | cis | -141.5 | 175.3 | 26.5 | 42.4 | -24.3 | 0 | 0 | 0 | 118 | ||||
| 1483 | G | 28.3 | Very low | 29.5 | Very low | 60 Ų | 60 | 123.4 Ų | 123.4 | 62% | 0.619 | 74% | 0.743 | S | S | * | * | trans | 134.7 | 111.7 | 145.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1484 | S | 31.7 | Very low | 29.6 | Very low | 120 Ų | 120 | 121.2 Ų | 121.2 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | 50.1 | 106.7 | 143.2 | 53.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1485 | N | 24.9 | Very low | 29.7 | Very low | 158 Ų | 158 | 124.3 Ų | 124.3 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -54.3 | 167.7 | 132.3 | -74.5 | -34.8 | 0 | 0 | 0 | 111.2 | ||||
| 1486 | P | 33.5 | Very low | 29.6 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | cis | -138.1 | -170.7 | 12.9 | 44.1 | -26.1 | 0 | 0 | 0 | 116.3 | ||||
| 1487 | S | 24.8 | Very low | 29.9 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -35.7 | 139.4 | 168.4 | 56.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1488 | S | 31.8 | Very low | 29.7 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -148.6 | 136.5 | 142.6 | 48.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1489 | S | 29.5 | Very low | 29.9 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | cis | 85.6 | 98.6 | 39.6 | 79.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1490 | S | 30.7 | Very low | 29.9 | Very low | 101 Ų | 101 | 122.8 Ų | 122.8 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 63.5 | 125.5 | 152.4 | 59 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1491 | N | 27.2 | Very low | 29.8 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | 38.8 | 138.6 | 123.6 | -54.7 | -7.8 | 0 | 0 | 0 | 120.1 | |||||
| 1492 | S | 29.4 | Very low | 30.1 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | cis | -170.1 | -151.7 | -4.8 | 48.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1493 | S | 31.4 | Very low | 30.1 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | cis | -171.7 | 149.6 | 6.2 | 11.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1494 | G | 30.2 | Very low | 30.2 | Very low | 70 Ų | 70 | 123.4 Ų | 123.4 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 119.3 | 154.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1495 | L | 31.2 | Very low | 30.1 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | cis | -150.9 | 149.4 | -3.9 | -87.1 | 119.3 | 0 | 0 | 0 | 111.7 | ||||
| 1496 | I | 30.2 | Very low | 30.1 | Very low | 139 Ų | 139 | 124 Ų | 124 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 51.5 | 111.6 | 144.2 | -60.5 | 169.2 | 0 | 0 | 0 | 118.4 | ||||
| 1497 | K | 33 | Very low | 29.8 | Very low | 200 Ų | 200 | 122 Ų | 122 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | -161.5 | 134.2 | 101.3 | -128.5 | 146.7 | -171.8 | 174.4 | 0 | 113.9 | |||||
| 1498 | S | 26.6 | Very low | 30 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -93.7 | 146 | 165.9 | 52.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1499 | I | 31.4 | Very low | 29.6 | Very low | 144 Ų | 144 | 126.8 Ų | 126.8 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | -167.2 | 134.9 | 144.2 | -100.5 | 147.9 | 0 | 0 | 0 | 108.1 | L1501 | I1499-L1501 HydrophobicContact CG2-CB 3.9Å; I1499-L1501 HydrophobicContact CG2-CD1 3.86Å; I1499-L1501 HydrophobicContact CG2-CG 3.75Å | ||
| 1500 | A | 27.5 | Very low | 29.5 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -106.9 | 124.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1501 | L | 29.9 | Very low | 29.3 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 73% | 0.728 | 78% | 0.781 | S | S | * | * | trans | -120.8 | 103.2 | -174.5 | -116 | 172.4 | 0 | 0 | 0 | 109.6 | I1499 | I1499-L1501 HydrophobicContact CG2-CB 3.9Å; I1499-L1501 HydrophobicContact CG2-CD1 3.86Å; I1499-L1501 HydrophobicContact CG2-CG 3.75Å | ||
| 1502 | P | 37 | Very low | 29.3 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | -87.9 | 136.9 | 166.2 | 33.7 | -30 | 0 | 0 | 0 | 110 | ||||
| 1503 | N | 31.6 | Very low | 29.3 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -160.8 | 152 | 159.5 | -108.8 | -33.6 | 0 | 0 | 0 | 111.6 | ||||
| 1504 | S | 30.7 | Very low | 29.2 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | 13.1 | 145.5 | 160.2 | 62 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1505 | L | 28.7 | Very low | 29.5 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | cis | -132.1 | 150.4 | 26.6 | -84.2 | 165.3 | 0 | 0 | 0 | 114 | ||||
| 1506 | C | 24.7 | Very low | 29.4 | Very low | 124 Ų | 124 | 138 Ų | 138 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -84.4 | 150.4 | 159.2 | -169.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1507 | G | 28.3 | Very low | 29.6 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -150.6 | 52 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1508 | N | 28.6 | Very low | 29.5 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | 57.1 | 100.2 | 164.7 | -61.7 | -11.6 | 0 | 0 | 0 | 118.4 | ||||
| 1509 | L | 22.9 | Very low | 29.9 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -114.4 | 154.9 | 139.4 | -106.6 | 171 | 0 | 0 | 0 | 108.6 | ||||
| 1510 | L | 27.5 | Very low | 30 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 68.8 | 102.9 | 179.3 | -50.7 | 177.5 | 0 | 0 | 0 | 116.6 | ||||
| 1511 | N | 27.1 | Very low | 30.4 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | -158.2 | 112.9 | 118.2 | -138.4 | -1.5 | 0 | 0 | 0 | 112.6 | |||||
| 1512 | F | 27.8 | Very low | 30.5 | Very low | 215 Ų | 215 | 134.5 Ų | 134.5 | 94% | 0.943 | 78% | 0.777 | S | S | * | * | trans | -152.6 | 148.4 | 150.1 | -107.7 | -72.4 | 0 | 0 | 0 | 108.2 | ||||
| 1513 | N | 28.3 | Very low | 30.4 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -83.2 | 157.9 | -150.6 | -104.8 | -30 | 0 | 0 | 0 | 116.6 | ||||
| 1514 | I | 29 | Very low | 30.3 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -72.6 | 162.3 | 164.8 | -18.8 | 178.9 | 0 | 0 | 0 | 109.6 | ||||
| 1515 | P | 36.5 | Very low | 30.5 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | -143.3 | 136.3 | 88.9 | 34.8 | -17.9 | 0 | 0 | 0 | 116.4 | |||||
| 1516 | S | 30.1 | Very low | 30.6 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | 40 | 128.9 | 129.3 | -46.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1517 | I | 34.4 | Very low | 31.1 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | -157.4 | 152.6 | 102.3 | -101 | 160.3 | 0 | 0 | 0 | 110.6 | |||||
| 1518 | N | 30.9 | Very low | 31.2 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -80.8 | -176.7 | -174.2 | -67.5 | -30.6 | 0 | 0 | 0 | 111.2 | ||||
| 1519 | T | 33.9 | Very low | 31.3 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | cis | -169.8 | 147.6 | 37 | -32 | 0 | 0 | 0 | 0 | 114 | ||||
| 1520 | T | 34.9 | Very low | 31.6 | Very low | 120 Ų | 120 | 132 Ų | 132 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | 61.3 | 145.9 | 155.2 | 40.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1521 | T | 35.3 | Very low | 31.6 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -147.2 | 136.1 | -0.4 | 10.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1522 | S | 32.9 | Very low | 31.7 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | 67.6 | 134.2 | 75.9 | -54.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1523 | T | 33.9 | Very low | 32.1 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | cis | -162 | 143.2 | 2 | 11.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1524 | V | 30.8 | Very low | 32.2 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | 62.9 | 131.9 | 84.3 | -173.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 1525 | I | 33.2 | Very low | 32.5 | Very low | 149 Ų | 149 | 123.3 Ų | 123.3 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | -163 | 119.7 | 83.5 | -68.4 | -85.2 | 0 | 0 | 0 | 107.7 | |||||
| 1526 | T | 32.2 | Very low | 32.1 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | 70.8 | 139.3 | 83.8 | -39.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1527 | T | 34.3 | Very low | 32.2 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | cis | -102 | -159.5 | 11.2 | 59.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1528 | G | 30.1 | Very low | 32.2 | Very low | 58 Ų | 58 | 124.6 Ų | 124.6 | 60% | 0.598 | 72% | 0.72 | S | S | * | * | cis | 96.3 | 156.1 | -3.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1529 | S | 30.3 | Very low | 32.2 | Very low | 96 Ų | 96 | 119.3 Ų | 119.3 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | cis | -178.3 | 124.4 | -4.4 | -86.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1530 | Y | 29.2 | Very low | 32.2 | Very low | 212 Ų | 212 | 118.3 Ų | 118.3 | 83% | 0.831 | 70% | 0.702 | S | S | * | * | trans | 62 | 158.2 | 145.3 | -51.3 | -49 | 0 | 0 | 0 | 121 | ||||
| 1531 | L | 28.9 | Very low | 31.9 | Very low | 143 Ų | 143 | 115.7 Ų | 115.7 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | cis | -165.5 | 177.8 | 0 | -125.7 | 172.2 | 0 | 0 | 0 | 112.3 | ||||
| 1532 | L | 28.7 | Very low | 31.5 | Very low | 151 Ų | 151 | 116.4 Ų | 116.4 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | 77.7 | 159.2 | 160.9 | -63.1 | 145.5 | 0 | 0 | 0 | 119.6 | ||||
| 1533 | P | 36.3 | Very low | 31.3 | Very low | 96 Ų | 96 | 118.7 Ų | 118.7 | 62% | 0.623 | 71% | 0.71 | S | S | * | * | cis | -145.4 | 157.9 | -48.4 | 41.2 | -24.3 | 0 | 0 | 0 | 118.5 | ||||
| 1534 | T | 31.4 | Very low | 30.9 | Very low | 142 Ų | 142 | 117.5 Ų | 117.5 | 87% | 0.871 | 71% | 0.706 | S | S | * | * | trans | 64.4 | 165.7 | 147.6 | 50.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1535 | S | 33.9 | Very low | 30.7 | Very low | 102 Ų | 102 | 118.7 Ų | 118.7 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | trans | -159.9 | 150.2 | -158.5 | 57.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1536 | F | 29.6 | Very low | 30.3 | Very low | 213 Ų | 213 | 115.7 Ų | 115.7 | 93% | 0.934 | 71% | 0.711 | S | S | * | * | trans | -159.2 | 147.7 | 148.1 | -94.6 | -64.3 | 0 | 0 | 0 | 113.7 | ||||
| 1537 | N | 31.8 | Very low | 30 | Very low | 152 Ų | 152 | 116 Ų | 116 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | -63.8 | 168.2 | 177.8 | -61.2 | -39.3 | 0 | 0 | 0 | 113.8 | ||||
| 1538 | S | 33.8 | Very low | 29.8 | Very low | 41 Ų | 41 | 117 Ų | 117 | 29% | 0.287 | 72% | 0.719 | S | S | . | * | cis | -154.6 | 177.8 | 31.4 | -74.7 | 0 | 0 | 0 | 0 | 112.2 | N873 T875 | N873-S1538 PolarHBondContact ND2-O 3.25Å; T875-S1538 VanDerWaalsContact CG2-OG 3.23Å; T875-S1538 WeakPolarHBondContact CG2-OG 3.45Å; T875-S1538 WeakPolarHBondContact OG1-CB 3.45Å; T875-S1538 PolarHBondContact OG1-OG 3.46Å | ||
| 1539 | G | 31.4 | Very low | 29.6 | Very low | 29 Ų | 29 | 120.1 Ų | 120.1 | 30% | 0.299 | 72% | 0.721 | S | S | . | * | cis | 143.4 | 121.6 | -8.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | N873 S874 T875 | N873-G1539 PolarHBondContact ND2-N 3.28Å; S874-G1539 CarbonylContact C-O 3.47Å; S874-G1539 WeakPolarHBondContact CA-O 3.44Å; S874-G1539 PolarHBondContact N-O 3.16Å; T875-G1539 PolarHBondContact N-O 3.32Å; T875-G1539 VanDerWaalsContact N-O 3.12Å | ||
| 1540 | A | 32.8 | Very low | 29.5 | Very low | 90 Ų | 90 | 123 Ų | 123 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | trans | 72.9 | 142.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1541 | G | 28.9 | Very low | 29.4 | Very low | 65 Ų | 65 | 118.4 Ų | 118.4 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | cis | 178.6 | 169.4 | -6.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1542 | C | 27 | Very low | 29.3 | Very low | 130 Ų | 130 | 118.4 Ų | 118.4 | 88% | 0.878 | 73% | 0.733 | S | S | * | * | trans | 60.3 | 147.8 | 177.3 | 77.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1543 | I | 29.5 | Very low | 29.3 | Very low | 148 Ų | 148 | 115.7 Ų | 115.7 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | cis | -134.9 | 152.3 | 23.5 | -72.8 | 175.1 | 0 | 0 | 0 | 112.9 | ||||
| 1544 | S | 26 | Very low | 28.8 | Very low | 94 Ų | 94 | 118.9 Ų | 118.9 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | trans | 14.3 | 136.8 | 160.3 | -52.4 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1545 | T | 25 | Very low | 28.5 | Very low | 138 Ų | 138 | 117.4 Ų | 117.4 | 85% | 0.847 | 74% | 0.739 | S | S | * | * | trans | 61.8 | 138.6 | 141.6 | 52.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1546 | A | 25.4 | Very low | 28.3 | Very low | 86 Ų | 86 | 117.7 Ų | 117.7 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | cis | -164.1 | 139 | -12.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1547 | S | 25.9 | Very low | 28.1 | Very low | 118 Ų | 118 | 115.3 Ų | 115.3 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | -179.2 | 110.7 | 155.4 | -85.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1548 | N | 29.2 | Very low | 28 | Very low | 153 Ų | 153 | 115.1 Ų | 115.1 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -175.8 | 148.4 | 166 | -100.7 | -26.9 | 0 | 0 | 0 | 108.4 | ||||
| 1549 | N | 27.9 | Very low | 27.8 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | cis | -160.1 | 153.5 | -41.3 | -130.5 | -41.9 | 0 | 0 | 0 | 106.9 | S1551 | N1549-S1551 PolarHBondContact O-N 3.41Š| ||
| 1550 | I | 26.6 | Very low | 28.1 | Very low | 156 Ų | 156 | 122.8 Ų | 122.8 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -22.6 | 114.5 | -179.2 | -61.4 | 164.9 | 0 | 0 | 0 | 114.8 | ||||
| 1551 | S | 28.2 | Very low | 29 | Very low | 117 Ų | 117 | 122.8 Ų | 122.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -81.9 | 121.4 | 172.7 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | N1549 A1553 | N1549-S1551 PolarHBondContact O-N 3.41Å; S1551-A1553 PolarHBondContact O-N 2.9Å | ||
| 1552 | T | 26.5 | Very low | 30.2 | Very low | 142 Ų | 142 | 124.8 Ų | 124.8 | 87% | 0.871 | 76% | 0.762 | S | S | * | * | trans | -73.3 | 116.5 | 167.5 | 25.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1553 | A | 27.6 | Very low | 31.8 | Very low | 95 Ų | 95 | 119.5 Ų | 119.5 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -100.5 | 97 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S1551 | S1551-A1553 PolarHBondContact O-N 2.9Š| ||
| 1554 | N | 25.6 | Very low | 33.7 | Very low | 163 Ų | 163 | 118.2 Ų | 118.2 | 87% | 0.872 | 72% | 0.717 | S | S | * | * | trans | -164.9 | 76.3 | 172.5 | -116.9 | -16.7 | 0 | 0 | 0 | 113.5 | ||||
| 1555 | S | 27 | Very low | 36.2 | Very low | 110 Ų | 110 | 117.3 Ų | 117.3 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | trans | -165.1 | 145.6 | 158.5 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1556 | S | 29.1 | Very low | 38.8 | Very low | 108 Ų | 108 | 114.4 Ų | 114.4 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | 51.1 | 87.7 | 160.4 | 58.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 1557 | L | 25.6 | Very low | 41.4 | Very low | 163 Ų | 163 | 113.2 Ų | 113.2 | 85% | 0.853 | 67% | 0.665 | S | S | * | * | -91.1 | 132.6 | 129.3 | -105.4 | 71 | 0 | 0 | 0 | 108.1 | |||||
| 1558 | N | 28.8 | Very low | 43.8 | Very low | 148 Ų | 148 | 110.6 Ų | 110.6 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 155.4 | 128.9 | 140.8 | -79.5 | -9 | 0 | 0 | 0 | 111.5 | ||
| 1559 | N | 30.4 | Very low | 46.3 | Very low | 131 Ų | 131 | 106.4 Ų | 106.4 | 70% | 0.701 | 61% | 0.612 | S | S | * | * | trans | 39.4 | 104.5 | 167.5 | -69.8 | 69.5 | 0 | 0 | 0 | 119.2 | D1561 | N1559-D1561 PolarHBondContact ND2-OD2 2.99Š| ||
| 1560 | S | 36.5 | Very low | 48.3 | Very low | 100 Ų | 100 | 107.7 Ų | 107.7 | 70% | 0.699 | 61% | 0.612 | S | S | * | * | trans | -140.7 | 74 | 151.7 | 65.2 | 0 | 0 | 0 | 0 | 109.5 | T1562 | S1560-T1562 PolarHBondContact O-N 2.95Š| ||
| 1561 | D | 51.9 | Low | 50.8 | Low | 91 Ų | 91 | 108.9 Ų | 108.9 | 49% | 0.487 | 61% | 0.606 | S | S | . | * | trans | -68 | -14.4 | -179.7 | -50.8 | -70.1 | 0 | 0 | 0 | 112.2 | N1559 | N1559-D1561 PolarHBondContact ND2-OD2 2.99Š| ||
| 1562 | T | 54.2 | Low | 53.5 | Low | 106 Ų | 106 | 103.9 Ų | 103.9 | 65% | 0.65 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -71.8 | 128.8 | 168.5 | 48.3 | 0 | 0 | 0 | 0 | 112 | S1560 E1564 | S1560-T1562 PolarHBondContact O-N 2.95Å; T1562-E1564 PolarHBondContact O-N 2.96Å |
| 1563 | P | 61.8 | Low | 56.3 | Low | 19 Ų | 19 | 105.2 Ų | 105.2 | 12% | 0.123 | 57% | 0.571 | C | S | . | * | trans | -57.7 | 136.7 | 176.4 | 15.2 | -27.4 | 0 | 0 | 0 | 114.2 | I1565 F1842 M1875 I1880 W1882 | P1563-I1565 PolarHBondContact O-N 3.12Å; P1563-F1842 HydrophobicContact CG-CE1 3.44Å; P1563-F1842 VanDerWaalsContact CG-CE1 3.44Å; P1563-F1842 HydrophobicContact CG-CE2 4.22Å; P1563-F1842 HydrophobicContact CG-CZ 3.25Å; P1563-M1875 HydrophobicContact CB-CE 3.85Å; P1563-M1875 HydrophobicContact CB-CG 4.12Å; P1563-M1875 HydrophobicContact CG-CE 3.46Å; P1563-M1875 VanDerWaalsContact CG-CE 3.46Å; P1563-I1880 HydrophobicContact CB-CD1 3.58Å; P1563-I1880 HydrophobicContact CB-CG1 4.03Å; P1563-I1880 HydrophobicContact CG-CD1 3.81Å; P1563-I1880 HydrophobicContact CG-CG1 4.34Å; P1563-W1882 HydrophobicContact CG-CH2 4.28Å | ||
| 1564 | E | 67.7 | Low | 59.3 | Low | 121 Ų | 121 | 101.4 Ų | 101.4 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | trans | -75.4 | 113.7 | 171.8 | -159.7 | -164.2 | 159.7 | 0 | 0 | 110.7 | T1562 Q1566 | T1562-E1564 PolarHBondContact O-N 2.96Å; E1564-Q1566 HydrophobicContact CG-CG 4.1Å; E1564-Q1566 VanDerWaalsContact OE1-CG 3.26Å; E1564-Q1566 WeakPolarHBondContact OE1-CG 3.35Å; E1564-Q1566 PolarHBondContact OE1-NE2 3.5Å; E1564-Q1566 PolarHBondContact OE2-NE2 3Å; E1564-Q1566 VanDerWaalsContact OE2-NE2 3.12Å | ||
| 1565 | I | 79.1 | Confident | 62.4 | Low | 76 Ų | 76 | 99 Ų | 99 | 39% | 0.39 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 106.6 | 172 | -63.2 | 176.3 | 0 | 0 | 0 | 108.9 | P1563 F1862 M1875 | P1563-I1565 PolarHBondContact O-N 3.12Å; I1565-F1862 HydrophobicContact CD1-CZ 4.47Å; I1565-F1862 HydrophobicContact CG2-CE1 4.19Å; I1565-F1862 HydrophobicContact CG2-CZ 3.71Å; I1565-M1875 HydrophobicContact CG1-CG 4.39Å |
| 1566 | Q | 80 | Confident | 65.7 | Low | 76 Ų | 76 | 93.8 Ų | 93.8 | 36% | 0.355 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 126 | 179 | -66.8 | -178.3 | -13 | 0 | 0 | 110.9 | E1564 Y1568 S1873 M1874 | E1564-Q1566 HydrophobicContact CG-CG 4.1Å; E1564-Q1566 VanDerWaalsContact OE1-CG 3.26Å; E1564-Q1566 WeakPolarHBondContact OE1-CG 3.35Å; E1564-Q1566 PolarHBondContact OE1-NE2 3.5Å; E1564-Q1566 PolarHBondContact OE2-NE2 3Å; E1564-Q1566 VanDerWaalsContact OE2-NE2 3.12Å; Q1566-Y1568 PolarHBondContact O-N 2.79Å; Q1566-S1873 CarbonylContact O-C 3.49Å; Q1566-S1873 WeakPolarHBondContact O-CA 3.45Å; Q1566-M1874 HydrophobicContact CB-CE 4.33Å; Q1566-M1874 PolarHBondContact N-O 2.86Å; Q1566-M1874 PolarHBondContact O-N 2.74Å |
| 1567 | V | 80.5 | Confident | 68.8 | Low | 61 Ų | 61 | 89.6 Ų | 89.6 | 37% | 0.37 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 108.4 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | K1570 Q1871 | V1567-K1570 HydrophobicContact CG1-CG 3.6Å; V1567-Q1871 HydrophobicContact CG1-CB 4.49Å |
| 1568 | Y | 76.4 | Confident | 72.1 | Confident | 63 Ų | 63 | 82.4 Ų | 82.4 | 25% | 0.247 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -36.8 | -174.2 | -134.9 | -74.1 | 0 | 0 | 0 | 113.3 | Q1566 L1597 R1599 F1861 V1872 M1874 | Q1566-Y1568 PolarHBondContact O-N 2.79Å; Y1568-L1597 HydrophobicContact CD1-CD2 3.92Å; Y1568-L1597 HydrophobicContact CD1-CG 4.47Å; Y1568-R1599 HydrophobicContact CE1-CB 4.49Å; Y1568-R1599 HydrophobicContact CE1-CG 3.82Å; Y1568-R1599 WeakPolarHBondContact OH-CB 3.35Å; Y1568-R1599 WeakPolarHBondContact OH-CG 3.47Å; Y1568-R1599 PolarHBondContact OH-NE 3.47Å; Y1568-F1861 HydrophobicContact CD2-CE1 4.18Å; Y1568-F1861 HydrophobicContact CE2-CE1 4.35Å; Y1568-V1872 PolarHBondContact N-O 3.04Å; Y1568-M1874 HydrophobicContact CD2-CB 4Å; Y1568-M1874 HydrophobicContact CD2-SD 4.12Å; Y1568-M1874 HydrophobicContact CE2-SD 3.88Å |
| 1569 | K | 81 | Confident | 75.3 | Confident | 66 Ų | 66 | 75.7 Ų | 75.7 | 29% | 0.287 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 113.3 | 177.1 | -168.8 | 72.8 | 171.4 | -168 | 0 | 111.3 | R1571 F1572 L1597 G1603 V1605 Q1871 V1872 | K1569-R1571 PolarHBondContact O-N 3.41Å; K1569-F1572 HydrophobicContact CB-CE2 3.7Å; K1569-F1572 HydrophobicContact CB-CZ 3.99Å; K1569-F1572 HydrophobicContact CG-CD2 4.39Å; K1569-F1572 HydrophobicContact CG-CE2 3.64Å; K1569-F1572 HydrophobicContact CG-CZ 3.76Å; K1569-L1597 HydrophobicContact CB-CD1 4.45Å; K1569-L1597 HydrophobicContact CB-CD2 4.32Å; K1569-L1597 HydrophobicContact CD-CD1 4.35Å; K1569-G1603 PolarHBondContact NZ-O 3.17Å; K1569-V1605 HydrophobicContact CD-CG2 4.27Å; K1569-V1605 HydrophobicContact CG-CG2 4.48Å; K1569-Q1871 CarbonylContact O-C 3.52Å; K1569-Q1871 WeakPolarHBondContact O-CA 3.24Å; K1569-Q1871 WeakPolarHBondContact O-CB 3.46Å; K1569-V1872 PolarHBondContact N-O 2.64Å; K1569-V1872 VanDerWaalsContact N-O 3.08Å; K1569-V1872 PolarHBondContact O-N 3.22Å |
| 1570 | K | 69.2 | Low | 78.4 | Confident | 150 Ų | 150 | 70.4 Ų | 70.4 | 65% | 0.652 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -74.7 | -12.7 | -168.3 | -75.3 | 178.6 | 178 | 177.2 | 0 | 117 | V1567 | V1567-K1570 HydrophobicContact CG1-CG 3.6Š|
| 1571 | R | 79.2 | Confident | 81.1 | Confident | 181 Ų | 181 | 66.2 Ų | 66.2 | 68% | 0.683 | 33% | 0.326 | S | S | * | . | trans | -153.2 | 131.1 | 179.4 | -58.1 | -170.9 | -178.2 | -165 | 1.8 | 111 | K1569 P1869 P1870 | K1569-R1571 PolarHBondContact O-N 3.41Å; R1571-P1869 HydrophobicContact CB-CB 4.18Å; R1571-P1869 HydrophobicContact CB-CG 4.1Å; R1571-P1869 HydrophobicContact CG-CB 4.36Å; R1571-P1869 HydrophobicContact CG-CG 3.74Å; R1571-P1870 CarbonylContact C-O 3.57Å | ||
| 1572 | F | 86.1 | Confident | 82.9 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | trans | -118.3 | 151.5 | 157.1 | -69.5 | -98.2 | 0 | 0 | 0 | 109.3 | K1569 S1574 I1576 I1588 L1590 V1605 P1869 P1870 V1872 | K1569-F1572 HydrophobicContact CB-CE2 3.7Å; K1569-F1572 HydrophobicContact CB-CZ 3.99Å; K1569-F1572 HydrophobicContact CG-CD2 4.39Å; K1569-F1572 HydrophobicContact CG-CE2 3.64Å; K1569-F1572 HydrophobicContact CG-CZ 3.76Å; F1572-S1574 VanDerWaalsContact C-N 3.29Å; F1572-S1574 PolarHBondContact O-N 3.43Å; F1572-I1576 HydrophobicContact CD2-CD1 3.73Å; F1572-I1576 HydrophobicContact CD2-CG1 4.5Å; F1572-I1576 HydrophobicContact CE2-CD1 4.11Å; F1572-I1576 HydrophobicContact CG-CD1 4.2Å; F1572-I1576 HydrophobicContact CG-CG1 4.5Å; F1572-I1588 HydrophobicContact CE1-CD1 3.69Å; F1572-I1588 HydrophobicContact CE1-CG2 4.5Å; F1572-I1588 HydrophobicContact CE2-CD1 4.37Å; F1572-I1588 HydrophobicContact CZ-CD1 3.4Å; F1572-L1590 HydrophobicContact CD1-CD2 4.33Å; F1572-V1605 HydrophobicContact CE1-CG1 4.37Å; F1572-V1605 HydrophobicContact CE1-CG2 4.28Å; F1572-P1869 VanDerWaalsContact O-CB 3.3Å; F1572-P1869 WeakPolarHBondContact O-CB 3.37Å; F1572-P1870 HydrophobicContact CB-CG 4.33Å; F1572-P1870 PolarHBondContact N-O 3.2Å; F1572-V1872 HydrophobicContact CD2-CG2 4.39Å; F1572-V1872 HydrophobicContact CE2-CB 4.18Å; F1572-V1872 HydrophobicContact CE2-CG2 3.58Å; F1572-V1872 HydrophobicContact CZ-CG2 4.08Å | ||
| 1573 | N | 83.6 | Confident | 84.5 | Confident | 171 Ų | 171 | 60.8 Ų | 60.8 | 91% | 0.914 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -91.5 | 13.2 | -175.3 | -60.9 | 2.3 | 0 | 0 | 0 | 113 | ||
| 1574 | S | 90.9 | Very high | 85.6 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -156 | 157.7 | -176.3 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | F1572 E1591 T1592 P1870 | F1572-S1574 VanDerWaalsContact C-N 3.29Å; F1572-S1574 PolarHBondContact O-N 3.43Å; S1574-E1591 WeakPolarHBondContact OG-CB 3.35Å; S1574-E1591 PolarHBondContact OG-N 2.85Å; S1574-T1592 WeakPolarHBondContact CB-OG1 3.47Å; S1574-T1592 PolarHBondContact OG-N 3.49Å; S1574-T1592 PolarHBondContact OG-OG1 3.44Å; S1574-P1870 VanDerWaalsContact O-CG 3.26Å; S1574-P1870 WeakPolarHBondContact O-CG 3.48Å |
| 1575 | E | 92.4 | Very high | 86.5 | Confident | 111 Ų | 111 | 60.5 Ų | 60.5 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | trans | -63.4 | 141.8 | 176.8 | -175.1 | 171.7 | 165.8 | 0 | 0 | 111.4 | L1577 L1590 E1591 | E1575-L1577 HydrophobicContact CG-CD2 4.3Å; E1575-L1590 VanDerWaalsContact O-CA 3.24Å; E1575-L1590 WeakPolarHBondContact O-CA 3.36Å; E1575-E1591 PolarHBondContact O-N 3.03Å | ||
| 1576 | I | 94.7 | Very high | 87.1 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 108.2 | 176.1 | -54.2 | 177.4 | 0 | 0 | 0 | 108.9 | F1572 I1588 L1590 K1851 L1853 P1870 V1872 | F1572-I1576 HydrophobicContact CD2-CD1 3.73Å; F1572-I1576 HydrophobicContact CD2-CG1 4.5Å; F1572-I1576 HydrophobicContact CE2-CD1 4.11Å; F1572-I1576 HydrophobicContact CG-CD1 4.2Å; F1572-I1576 HydrophobicContact CG-CG1 4.5Å; I1576-I1588 HydrophobicContact CG2-CG2 3.89Å; I1576-L1590 HydrophobicContact CB-CD2 4.5Å; I1576-L1590 HydrophobicContact CG1-CD2 3.92Å; I1576-K1851 PolarHBondContact O-NZ 3.41Å; I1576-L1853 HydrophobicContact CG2-CD1 4.06Å; I1576-L1853 HydrophobicContact CG2-CD2 3.57Å; I1576-L1853 HydrophobicContact CG2-CG 4.49Å; I1576-P1870 HydrophobicContact CD1-CB 4.08Å; I1576-P1870 HydrophobicContact CD1-CG 4.42Å; I1576-P1870 HydrophobicContact CG1-CB 4.16Å; I1576-P1870 HydrophobicContact CG1-CG 4.12Å; I1576-V1872 HydrophobicContact CD1-CG2 3.59Å |
| 1577 | L | 94.7 | Very high | 87.8 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -46.9 | -177.9 | -61.2 | -177 | 0 | 0 | 0 | 111.6 | E1575 G1589 E1591 R1613 F1614 K1851 | E1575-L1577 HydrophobicContact CG-CD2 4.3Å; L1577-G1589 PolarHBondContact N-O 2.91Å; L1577-E1591 HydrophobicContact CD1-CB 4.48Å; L1577-R1613 HydrophobicContact CD1-CG 3.58Å; L1577-F1614 VanDerWaalsContact CB-O 3.31Å; L1577-F1614 WeakPolarHBondContact CB-O 3.42Å; L1577-K1851 VanDerWaalsContact O-CE 3.27Å; L1577-K1851 WeakPolarHBondContact O-CE 3.28Å; L1577-K1851 PolarHBondContact O-NZ 2.94Å |
| 1578 | C | 95.7 | Very high | 88.5 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 9% | 0.088 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 170.1 | 179.2 | 63.6 | 0 | 0 | 0 | 0 | 111.9 | G1589 F1614 R1616 M1617 | C1578-G1589 PolarHBondContact N-O 2.94Å; C1578-G1589 PolarHBondContact O-N 2.97Å; C1578-F1614 PolarHBondContact SG-O 2.79Å; C1578-R1616 VanDerWaalsContact SG-CA 3.59Å; C1578-M1617 VanDerWaalsContact SG-CE 3.56Å |
| 1579 | A | 95.7 | Very high | 89.5 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 5% | 0.05 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 165.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1586 L1587 I1588 L1853 | A1579-L1586 HydrophobicContact CB-CD1 3.86Å; A1579-L1586 HydrophobicContact CB-CD2 4.48Å; A1579-L1586 HydrophobicContact CB-CG 4.2Å; A1579-L1587 CarbonylContact C-O 3.44Å; A1579-L1587 WeakPolarHBondContact CA-O 3.24Å; A1579-L1587 WeakPolarHBondContact CB-O 3.34Å; A1579-I1588 HydrophobicContact CB-CG1 4.46Å; A1579-L1853 HydrophobicContact CB-CB 3.75Å; A1579-L1853 HydrophobicContact CB-CD1 4.31Å; A1579-L1853 HydrophobicContact CB-CG 4.45Å |
| 1580 | S | 95.6 | Very high | 90.2 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 145.7 | 169 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | L1587 V1619 | S1580-L1587 PolarHBondContact N-O 3.42Å; S1580-L1587 WeakPolarHBondContact O-CB 3.47Å; S1580-L1587 PolarHBondContact O-N 3.32Å; S1580-V1619 VanDerWaalsContact OG-CG2 3.25Å; S1580-V1619 WeakPolarHBondContact OG-CG2 3.45Å; S1580-V1619 PolarHBondContact OG-N 3.48Å |
| 1581 | M | 92.1 | Very high | 91.4 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 6% | 0.059 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 136.8 | 175 | -77 | -126.2 | 61.9 | 0 | 0 | 111.8 | G1583 V1584 N1585 L1586 R1856 F1861 | M1581-G1583 WeakPolarHBondContact CE-O 3.4Å; M1581-V1584 WeakPolarHBondContact CE-O 3.42Å; M1581-N1585 WeakPolarHBondContact CA-O 3.44Å; M1581-N1585 WeakPolarHBondContact CE-O 3.22Å; M1581-L1586 HydrophobicContact CG-CD1 4.24Å; M1581-R1856 HydrophobicContact CB-CB 4.35Å; M1581-R1856 HydrophobicContact CG-CB 3.95Å; M1581-R1856 HydrophobicContact SD-CB 3.86Å; M1581-R1856 HydrophobicContact SD-CG 4.32Å; M1581-F1861 HydrophobicContact SD-CE2 4.01Å |
| 1582 | W | 90.8 | Very high | 92.2 | Very high | 42 Ų | 42 | 36.7 Ų | 36.7 | 16% | 0.159 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 107.5 | 171.4 | 175.1 | 30.8 | 0 | 0 | 0 | 109.6 | V1584 N1585 L1587 L1596 V1619 E1621 L1641 L1644 R1645 I1648 | W1582-V1584 PolarHBondContact O-N 3.18Å; W1582-N1585 PolarHBondContact N-O 3.07Å; W1582-N1585 PolarHBondContact O-N 3.06Å; W1582-L1587 HydrophobicContact CB-CD1 3.95Å; W1582-L1587 HydrophobicContact CB-CG 4.23Å; W1582-L1587 HydrophobicContact CD2-CD1 4.42Å; W1582-L1587 HydrophobicContact CE3-CD1 3.96Å; W1582-L1587 HydrophobicContact CE3-CD2 4.08Å; W1582-L1587 HydrophobicContact CE3-CG 4.12Å; W1582-L1587 HydrophobicContact CG-CD1 4.45Å; W1582-L1596 HydrophobicContact CE3-CD1 3.68Å; W1582-L1596 HydrophobicContact CZ3-CD1 3.91Å; W1582-V1619 HydrophobicContact CB-CG1 4.33Å; W1582-V1619 HydrophobicContact CB-CG2 4.37Å; W1582-E1621 WeakPolarHBondContact CA-OE1 3.49Å; W1582-L1641 HydrophobicContact CD2-CD2 3.97Å; W1582-L1641 HydrophobicContact CE3-CD2 4.41Å; W1582-L1641 HydrophobicContact CG-CD2 4.21Å; W1582-L1641 VanDerWaalsContact CH2-O 3.27Å; W1582-L1641 WeakPolarHBondContact CH2-O 3.26Å; W1582-L1641 HydrophobicContact CZ2-CB 3.8Å; W1582-L1641 HydrophobicContact CZ2-CD2 4.35Å; W1582-L1641 VanDerWaalsContact CZ2-O 3.28Å; W1582-L1641 WeakPolarHBondContact CZ2-O 3.34Å; W1582-L1644 HydrophobicContact CH2-CB 4.05Å; W1582-L1644 HydrophobicContact CZ3-CB 4.11Å; W1582-R1645 HydrophobicContact CH2-CB 3.92Å; W1582-R1645 HydrophobicContact CZ2-CB 4.21Å; W1582-I1648 HydrophobicContact CH2-CD1 4.13Å; W1582-I1648 HydrophobicContact CZ3-CD1 3.77Å |
| 1583 | G | 87 | Confident | 92.6 | Very high | 41 Ų | 41 | 36.3 Ų | 36.3 | 42% | 0.423 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -123.6 | -165.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | M1581 E1621 | M1581-G1583 WeakPolarHBondContact CE-O 3.4Å; G1583-E1621 PolarHBondContact N-OE1 2.94Å |
| 1584 | V | 84.2 | Confident | 93.1 | Very high | 100 Ų | 100 | 28.1 Ų | 28.1 | 61% | 0.606 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -10.8 | 172.2 | -64.3 | 0 | 0 | 0 | 0 | 113.6 | M1581 W1582 R1599 | M1581-V1584 WeakPolarHBondContact CE-O 3.42Å; W1582-V1584 PolarHBondContact O-N 3.18Å; V1584-R1599 VanDerWaalsContact O-CB 3.27Å; V1584-R1599 WeakPolarHBondContact O-CB 3.48Å; V1584-R1599 WeakPolarHBondContact O-CD 3.39Å; V1584-R1599 WeakPolarHBondContact O-CG 3.5Å |
| 1585 | N | 87.9 | Confident | 93.2 | Very high | 34 Ų | 34 | 28 Ų | 28 | 18% | 0.182 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 159.1 | -171 | -67.8 | -24.3 | 0 | 0 | 0 | 112.9 | M1581 W1582 L1596 D1598 R1599 | M1581-N1585 WeakPolarHBondContact CA-O 3.44Å; M1581-N1585 WeakPolarHBondContact CE-O 3.22Å; W1582-N1585 PolarHBondContact N-O 3.07Å; W1582-N1585 PolarHBondContact O-N 3.06Å; N1585-L1596 HydrophobicContact CB-CD1 3.75Å; N1585-L1596 HydrophobicContact CB-CD2 4.11Å; N1585-L1596 HydrophobicContact CB-CG 3.97Å; N1585-D1598 PolarHBondContact OD1-OD1 2.84Å; N1585-D1598 VanDerWaalsContact OD1-OD1 3.05Å; N1585-R1599 PolarHBondContact OD1-N 2.79Å |
| 1586 | L | 91.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 114.3 | 179.3 | -174.2 | 67.9 | 0 | 0 | 0 | 110.1 | A1579 M1581 I1588 L1596 L1597 C1854 F1861 V1872 | A1579-L1586 HydrophobicContact CB-CD1 3.86Å; A1579-L1586 HydrophobicContact CB-CD2 4.48Å; A1579-L1586 HydrophobicContact CB-CG 4.2Å; M1581-L1586 HydrophobicContact CG-CD1 4.24Å; L1586-I1588 HydrophobicContact CD2-CD1 4.13Å; L1586-I1588 HydrophobicContact CD2-CG1 4.08Å; L1586-I1588 HydrophobicContact CG-CD1 4.44Å; L1586-I1588 HydrophobicContact CG-CG1 3.96Å; L1586-L1596 WeakPolarHBondContact O-CA 3.46Å; L1586-L1597 HydrophobicContact CB-CB 4.35Å; L1586-L1597 HydrophobicContact CD2-CD2 4.33Å; L1586-L1597 PolarHBondContact N-O 3.33Å; L1586-L1597 PolarHBondContact O-N 3.36Å; L1586-C1854 VanDerWaalsContact CD1-SG 3.52Å; L1586-F1861 HydrophobicContact CD2-CD1 4.15Å; L1586-F1861 HydrophobicContact CD2-CG 4.42Å; L1586-V1872 HydrophobicContact CD2-CG1 4.07Å |
| 1587 | L | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 133.1 | 166.2 | -71.8 | 170.2 | 0 | 0 | 0 | 108.8 | A1579 S1580 W1582 L1594 S1595 L1596 L1608 M1617 V1619 L1626 | A1579-L1587 CarbonylContact C-O 3.44Å; A1579-L1587 WeakPolarHBondContact CA-O 3.24Å; A1579-L1587 WeakPolarHBondContact CB-O 3.34Å; S1580-L1587 PolarHBondContact N-O 3.42Å; S1580-L1587 WeakPolarHBondContact O-CB 3.47Å; S1580-L1587 PolarHBondContact O-N 3.32Å; W1582-L1587 HydrophobicContact CB-CD1 3.95Å; W1582-L1587 HydrophobicContact CB-CG 4.23Å; W1582-L1587 HydrophobicContact CD2-CD1 4.42Å; W1582-L1587 HydrophobicContact CE3-CD1 3.96Å; W1582-L1587 HydrophobicContact CE3-CD2 4.08Å; W1582-L1587 HydrophobicContact CE3-CG 4.12Å; W1582-L1587 HydrophobicContact CG-CD1 4.45Å; L1587-L1594 HydrophobicContact CB-CD1 4.4Å; L1587-L1594 HydrophobicContact CD2-CD1 4.48Å; L1587-L1594 HydrophobicContact CD2-CD2 4.49Å; L1587-L1594 HydrophobicContact CD2-CG 4.49Å; L1587-S1595 CarbonylContact C-O 3.56Å; L1587-S1595 WeakPolarHBondContact CA-O 3.48Å; L1587-L1596 HydrophobicContact CD2-CB 4.08Å; L1587-L1596 HydrophobicContact CD2-CD1 4.02Å; L1587-L1608 HydrophobicContact CD2-CD1 3.55Å; L1587-M1617 HydrophobicContact CB-CE 4.45Å; L1587-M1617 HydrophobicContact CB-SD 3.88Å; L1587-V1619 HydrophobicContact CD1-CG2 3.92Å; L1587-L1626 HydrophobicContact CD1-CD1 4Å; L1587-L1626 HydrophobicContact CD1-CD2 4.22Å |
| 1588 | I | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119.9 | -174.6 | -57.6 | 177.3 | 0 | 0 | 0 | 108 | F1572 I1576 A1579 L1586 L1590 S1595 L1597 V1872 | F1572-I1588 HydrophobicContact CE1-CD1 3.69Å; F1572-I1588 HydrophobicContact CE1-CG2 4.5Å; F1572-I1588 HydrophobicContact CE2-CD1 4.37Å; F1572-I1588 HydrophobicContact CZ-CD1 3.4Å; I1576-I1588 HydrophobicContact CG2-CG2 3.89Å; A1579-I1588 HydrophobicContact CB-CG1 4.46Å; L1586-I1588 HydrophobicContact CD2-CD1 4.13Å; L1586-I1588 HydrophobicContact CD2-CG1 4.08Å; L1586-I1588 HydrophobicContact CG-CD1 4.44Å; L1586-I1588 HydrophobicContact CG-CG1 3.96Å; I1588-L1590 HydrophobicContact CG2-CD2 3.77Å; I1588-L1590 HydrophobicContact CG2-CG 4.33Å; I1588-S1595 PolarHBondContact N-O 2.87Å; I1588-S1595 PolarHBondContact O-N 2.99Å; I1588-L1597 HydrophobicContact CD1-CB 3.78Å; I1588-L1597 HydrophobicContact CD1-CD2 4.1Å; I1588-V1872 HydrophobicContact CD1-CG2 4.22Å |
| 1589 | G | 96.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | L1577 C1578 | L1577-G1589 PolarHBondContact N-O 2.91Å; C1578-G1589 PolarHBondContact N-O 2.94Å; C1578-G1589 PolarHBondContact O-N 2.97Å |
| 1590 | L | 95.9 | Very high | 89.7 | Confident | 12 Ų | 12 | 29.2 Ų | 29.2 | 6% | 0.063 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 168.3 | 179.9 | -55.2 | 173.7 | 0 | 0 | 0 | 110.1 | F1572 E1575 I1576 I1588 T1592 G1593 F1614 | F1572-L1590 HydrophobicContact CD1-CD2 4.33Å; E1575-L1590 VanDerWaalsContact O-CA 3.24Å; E1575-L1590 WeakPolarHBondContact O-CA 3.36Å; I1576-L1590 HydrophobicContact CB-CD2 4.5Å; I1576-L1590 HydrophobicContact CG1-CD2 3.92Å; I1588-L1590 HydrophobicContact CG2-CD2 3.77Å; I1588-L1590 HydrophobicContact CG2-CG 4.33Å; L1590-T1592 PolarHBondContact O-N 2.73Å; L1590-G1593 WeakPolarHBondContact CA-O 3.43Å; L1590-G1593 WeakPolarHBondContact CB-O 3.18Å; L1590-G1593 PolarHBondContact N-O 3.3Å; L1590-F1614 PolarHBondContact O-N 2.8Å |
| 1591 | E | 94.8 | Very high | 87.7 | Confident | 75 Ų | 75 | 31.6 Ų | 31.6 | 35% | 0.35 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -61.8 | -32.8 | 167.6 | -166.6 | 59.6 | -124.6 | 0 | 0 | 111.2 | S1574 E1575 L1577 R1613 | S1574-E1591 WeakPolarHBondContact OG-CB 3.35Å; S1574-E1591 PolarHBondContact OG-N 2.85Å; E1575-E1591 PolarHBondContact O-N 3.03Å; L1577-E1591 HydrophobicContact CD1-CB 4.48Å; E1591-R1613 VanDerWaalsContact O-CA 3.29Å; E1591-R1613 WeakPolarHBondContact O-CA 3.42Å; E1591-R1613 PolarHBondContact O-N 3.5Å; E1591-R1613 WeakPolarHBondContact OE1-CD 3.36Å; E1591-R1613 WeakPolarHBondContact OE1-CG 3.41Å; E1591-R1613 IonicContact OE1-CZ 3.32Å; E1591-R1613 IonicContact OE1-NE 3.51Å; E1591-R1613 PolarHBondContact OE1-NE 2.93Å; E1591-R1613 IonicContact OE1-NH2 3.45Å; E1591-R1613 IonicContact OE2-CZ 2.82Å; E1591-R1613 VanDerWaalsContact OE2-CZ 3.28Å; E1591-R1613 IonicContact OE2-NE 2.68Å; E1591-R1613 PolarHBondContact OE2-NE 3.02Å; E1591-R1613 IonicContact OE2-NH2 3.51Å; E1591-R1613 PolarHBondContact OE2-NH2 2.79Å |
| 1592 | T | 94.6 | Very high | 86.3 | Confident | 85 Ų | 85 | 37.4 Ų | 37.4 | 52% | 0.521 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -103.7 | 0.1 | -176.9 | 59.6 | 0 | 0 | 0 | 0 | 116.2 | S1574 L1590 T1610 R1611 | S1574-T1592 WeakPolarHBondContact CB-OG1 3.47Å; S1574-T1592 PolarHBondContact OG-N 3.49Å; S1574-T1592 PolarHBondContact OG-OG1 3.44Å; L1590-T1592 PolarHBondContact O-N 2.73Å; T1592-T1610 CarbonylContact O-C 3.5Å; T1592-R1611 PolarHBondContact O-N 3.05Å |
| 1593 | G | 94.7 | Very high | 85.2 | Confident | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | -178 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | L1590 I1609 R1612 F1614 | L1590-G1593 WeakPolarHBondContact CA-O 3.43Å; L1590-G1593 WeakPolarHBondContact CB-O 3.18Å; L1590-G1593 PolarHBondContact N-O 3.3Å; G1593-I1609 CarbonylContact C-O 3.57Å; G1593-I1609 WeakPolarHBondContact CA-O 3.35Å; G1593-R1612 WeakPolarHBondContact CA-O 3.5Å; G1593-R1612 PolarHBondContact N-O 2.96Å; G1593-R1612 VanDerWaalsContact N-O 3.14Å; G1593-F1614 VanDerWaalsContact C-CD2 3.5Å |
| 1594 | L | 95.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.6 | 168.5 | -177.7 | 67.7 | 0 | 0 | 0 | 109.2 | L1587 L1608 I1609 F1614 M1617 L1626 L1644 | L1587-L1594 HydrophobicContact CB-CD1 4.4Å; L1587-L1594 HydrophobicContact CD2-CD1 4.48Å; L1587-L1594 HydrophobicContact CD2-CD2 4.49Å; L1587-L1594 HydrophobicContact CD2-CG 4.49Å; L1594-L1608 HydrophobicContact CD2-CD1 4.23Å; L1594-L1608 HydrophobicContact CG-CD1 4.42Å; L1594-L1608 PolarHBondContact O-N 3.19Å; L1594-I1609 HydrophobicContact CB-CB 4.1Å; L1594-I1609 HydrophobicContact CB-CD1 4.44Å; L1594-I1609 HydrophobicContact CB-CG1 4.42Å; L1594-I1609 HydrophobicContact CD2-CD1 4.14Å; L1594-I1609 PolarHBondContact N-O 2.84Å; L1594-I1609 PolarHBondContact O-N 3.42Å; L1594-F1614 HydrophobicContact CB-CD2 3.81Å; L1594-F1614 HydrophobicContact CB-CE1 4.39Å; L1594-F1614 HydrophobicContact CB-CE2 3.63Å; L1594-F1614 HydrophobicContact CB-CG 4.28Å; L1594-F1614 HydrophobicContact CB-CZ 3.95Å; L1594-M1617 HydrophobicContact CD1-CE 3.66Å; L1594-M1617 HydrophobicContact CD1-SD 4.48Å; L1594-L1626 HydrophobicContact CD2-CD2 3.81Å; L1594-L1644 HydrophobicContact CD2-CD1 4.31Å; L1594-L1644 HydrophobicContact CD2-CD2 4.28Å |
| 1595 | S | 92.9 | Very high | 84.9 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 8% | 0.077 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 155.1 | 176.3 | -67 | 0 | 0 | 0 | 0 | 111.8 | L1587 I1588 Y1606 | L1587-S1595 CarbonylContact C-O 3.56Å; L1587-S1595 WeakPolarHBondContact CA-O 3.48Å; I1588-S1595 PolarHBondContact N-O 2.87Å; I1588-S1595 PolarHBondContact O-N 2.99Å; S1595-Y1606 CarbonylContact C-O 3.21Å; S1595-Y1606 VanDerWaalsContact CA-O 3.28Å; S1595-Y1606 WeakPolarHBondContact CA-O 3.39Å |
| 1596 | L | 91.5 | Very high | 84.9 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121.8 | 168.7 | 179.3 | 135.1 | 0 | 0 | 0 | 110.1 | W1582 N1585 L1586 L1587 D1598 V1605 Y1606 L1608 I1648 | W1582-L1596 HydrophobicContact CE3-CD1 3.68Å; W1582-L1596 HydrophobicContact CZ3-CD1 3.91Å; N1585-L1596 HydrophobicContact CB-CD1 3.75Å; N1585-L1596 HydrophobicContact CB-CD2 4.11Å; N1585-L1596 HydrophobicContact CB-CG 3.97Å; L1586-L1596 WeakPolarHBondContact O-CA 3.46Å; L1587-L1596 HydrophobicContact CD2-CB 4.08Å; L1587-L1596 HydrophobicContact CD2-CD1 4.02Å; L1596-D1598 HydrophobicContact CD2-CB 4.29Å; L1596-V1605 CarbonylContact O-C 3.59Å; L1596-V1605 WeakPolarHBondContact O-CA 3.03Å; L1596-Y1606 HydrophobicContact CD2-CD2 4.06Å; L1596-Y1606 PolarHBondContact N-O 3.49Å; L1596-Y1606 PolarHBondContact O-N 3.22Å; L1596-L1608 HydrophobicContact CB-CD1 4.11Å; L1596-L1608 HydrophobicContact CB-CD2 4.32Å; L1596-L1608 HydrophobicContact CB-CG 4.31Å; L1596-I1648 HydrophobicContact CD1-CD1 3.91Å |
| 1597 | L | 89.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 113.6 | 168.1 | 174.2 | 64.6 | 0 | 0 | 0 | 108.4 | Y1568 K1569 L1586 I1588 V1605 | Y1568-L1597 HydrophobicContact CD1-CD2 3.92Å; Y1568-L1597 HydrophobicContact CD1-CG 4.47Å; K1569-L1597 HydrophobicContact CB-CD1 4.45Å; K1569-L1597 HydrophobicContact CB-CD2 4.32Å; K1569-L1597 HydrophobicContact CD-CD1 4.35Å; L1586-L1597 HydrophobicContact CB-CB 4.35Å; L1586-L1597 HydrophobicContact CD2-CD2 4.33Å; L1586-L1597 PolarHBondContact N-O 3.33Å; L1586-L1597 PolarHBondContact O-N 3.36Å; I1588-L1597 HydrophobicContact CD1-CB 3.78Å; I1588-L1597 HydrophobicContact CD1-CD2 4.1Å; L1597-V1605 HydrophobicContact CD1-CG2 3.73Å |
| 1598 | D | 81.6 | Confident | 84.5 | Confident | 25 Ų | 25 | 43.9 Ų | 43.9 | 13% | 0.134 | 25% | 0.248 | C | C | . | . | trans | -76.3 | 132 | 178.1 | -178.8 | 13.5 | 0 | 0 | 0 | 110.7 | N1585 L1596 S1600 R1604 Y1606 | N1585-D1598 PolarHBondContact OD1-OD1 2.84Å; N1585-D1598 VanDerWaalsContact OD1-OD1 3.05Å; L1596-D1598 HydrophobicContact CD2-CB 4.29Å; D1598-S1600 VanDerWaalsContact OD1-CB 3.23Å; D1598-S1600 WeakPolarHBondContact OD1-CB 3.4Å; D1598-S1600 PolarHBondContact OD1-N 3.18Å; D1598-S1600 PolarHBondContact OD1-OG 3.41Å; D1598-S1600 WeakPolarHBondContact OD2-CB 3.41Å; D1598-S1600 PolarHBondContact OD2-OG 3.02Å; D1598-R1604 PolarHBondContact N-O 3.48Å; D1598-Y1606 HydrophobicContact CB-CD2 4.45Å; D1598-Y1606 HydrophobicContact CB-CE2 3.99Å | ||
| 1599 | R | 70.8 | Confident | 84.3 | Confident | 60 Ų | 60 | 45 Ų | 45 | 23% | 0.226 | 25% | 0.254 | C | S | . | . | trans | -102.4 | 5.6 | -179.7 | -63.7 | -168.5 | 48.7 | -146.6 | 2.6 | 113.4 | Y1568 V1584 N1585 G1601 | Y1568-R1599 HydrophobicContact CE1-CB 4.49Å; Y1568-R1599 HydrophobicContact CE1-CG 3.82Å; Y1568-R1599 WeakPolarHBondContact OH-CB 3.35Å; Y1568-R1599 WeakPolarHBondContact OH-CG 3.47Å; Y1568-R1599 PolarHBondContact OH-NE 3.47Å; V1584-R1599 VanDerWaalsContact O-CB 3.27Å; V1584-R1599 WeakPolarHBondContact O-CB 3.48Å; V1584-R1599 WeakPolarHBondContact O-CD 3.39Å; V1584-R1599 WeakPolarHBondContact O-CG 3.5Å; N1585-R1599 PolarHBondContact OD1-N 2.79Å; R1599-G1601 PolarHBondContact O-N 2.8Å | ||
| 1600 | S | 65.3 | Low | 84.1 | Confident | 88 Ų | 88 | 49.7 Ų | 49.7 | 62% | 0.615 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -57.3 | -25.5 | 177 | 66.7 | 0 | 0 | 0 | 0 | 115.4 | D1598 | D1598-S1600 VanDerWaalsContact OD1-CB 3.23Å; D1598-S1600 WeakPolarHBondContact OD1-CB 3.4Å; D1598-S1600 PolarHBondContact OD1-N 3.18Å; D1598-S1600 PolarHBondContact OD1-OG 3.41Å; D1598-S1600 WeakPolarHBondContact OD2-CB 3.41Å; D1598-S1600 PolarHBondContact OD2-OG 3.02Å |
| 1601 | G | 54.6 | Low | 83.9 | Confident | 70 Ų | 70 | 58.9 Ų | 58.9 | 72% | 0.722 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 151.7 | -33.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1599 | R1599-G1601 PolarHBondContact O-N 2.8Š|
| 1602 | E | 62.1 | Low | 83.9 | Confident | 133 Ų | 133 | 57.2 Ų | 57.2 | 62% | 0.621 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -85.1 | -11.8 | -174 | -71.4 | -166.8 | -133.6 | 0 | 0 | 115.3 | R1604 | E1602-R1604 HydrophobicContact CB-CG 3.94Å; E1602-R1604 PolarHBondContact O-N 3.26Å; E1602-R1604 IonicContact OE1-CZ 2.88Å; E1602-R1604 IonicContact OE1-NE 3.08Å; E1602-R1604 IonicContact OE1-NH2 2.74Å; E1602-R1604 PolarHBondContact OE1-NH2 3.3Å; E1602-R1604 IonicContact OE2-CZ 3.76Å; E1602-R1604 IonicContact OE2-NE 2.79Å; E1602-R1604 PolarHBondContact OE2-NE 3.07Å; E1602-R1604 IonicContact OE2-NH2 3.91Å; E1602-R1604 PolarHBondContact OE2-NH2 3.26Å |
| 1603 | G | 68.7 | Low | 84 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 13% | 0.134 | 30% | 0.297 | C | S | . | . | trans | 61 | 29.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1569 | K1569-G1603 PolarHBondContact NZ-O 3.17Š| ||
| 1604 | R | 78.5 | Confident | 84.1 | Confident | 121 Ų | 121 | 57 Ų | 57 | 46% | 0.457 | 30% | 0.295 | S | S | . | . | trans | -63.5 | 143.9 | 174.6 | -69.4 | -174.4 | -174.4 | -173.1 | 10.9 | 110.1 | D1598 E1602 Y1606 | D1598-R1604 PolarHBondContact N-O 3.48Å; E1602-R1604 HydrophobicContact CB-CG 3.94Å; E1602-R1604 PolarHBondContact O-N 3.26Å; E1602-R1604 IonicContact OE1-CZ 2.88Å; E1602-R1604 IonicContact OE1-NE 3.08Å; E1602-R1604 IonicContact OE1-NH2 2.74Å; E1602-R1604 PolarHBondContact OE1-NH2 3.3Å; E1602-R1604 IonicContact OE2-CZ 3.76Å; E1602-R1604 IonicContact OE2-NE 2.79Å; E1602-R1604 PolarHBondContact OE2-NE 3.07Å; E1602-R1604 IonicContact OE2-NH2 3.91Å; E1602-R1604 PolarHBondContact OE2-NH2 3.26Å; R1604-Y1606 HydrophobicContact CB-CD2 4.36Å; R1604-Y1606 HydrophobicContact CB-CE2 3.64Å; R1604-Y1606 WeakPolarHBondContact CD-OH 3.39Å | ||
| 1605 | V | 86 | Confident | 84.2 | Confident | 56 Ų | 56 | 58.3 Ų | 58.3 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121.9 | 176.1 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | K1569 F1572 L1596 L1597 | K1569-V1605 HydrophobicContact CD-CG2 4.27Å; K1569-V1605 HydrophobicContact CG-CG2 4.48Å; F1572-V1605 HydrophobicContact CE1-CG1 4.37Å; F1572-V1605 HydrophobicContact CE1-CG2 4.28Å; L1596-V1605 CarbonylContact O-C 3.59Å; L1596-V1605 WeakPolarHBondContact O-CA 3.03Å; L1597-V1605 HydrophobicContact CD1-CG2 3.73Å |
| 1606 | Y | 87.8 | Confident | 84.3 | Confident | 75 Ų | 75 | 63 Ų | 63 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 117 | 179.1 | -63.5 | -96.8 | 0 | 0 | 0 | 108.4 | S1595 L1596 D1598 R1604 L1608 | S1595-Y1606 CarbonylContact C-O 3.21Å; S1595-Y1606 VanDerWaalsContact CA-O 3.28Å; S1595-Y1606 WeakPolarHBondContact CA-O 3.39Å; L1596-Y1606 HydrophobicContact CD2-CD2 4.06Å; L1596-Y1606 PolarHBondContact N-O 3.49Å; L1596-Y1606 PolarHBondContact O-N 3.22Å; D1598-Y1606 HydrophobicContact CB-CD2 4.45Å; D1598-Y1606 HydrophobicContact CB-CE2 3.99Å; R1604-Y1606 HydrophobicContact CB-CD2 4.36Å; R1604-Y1606 HydrophobicContact CB-CE2 3.64Å; R1604-Y1606 WeakPolarHBondContact CD-OH 3.39Å; Y1606-L1608 PolarHBondContact O-N 3.12Å |
| 1607 | S | 88.9 | Confident | 84.6 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 52% | 0.524 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 128.6 | 169.3 | -170.1 | 0 | 0 | 0 | 0 | 109 | T1610 | S1607-T1610 WeakPolarHBondContact OG-CG2 3.28Å |
| 1608 | L | 90.2 | Very high | 85 | Confident | 15 Ų | 15 | 64.9 Ų | 64.9 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -39.5 | -179.6 | -53.6 | -171.9 | 0 | 0 | 0 | 111.8 | L1587 L1594 L1596 Y1606 L1644 I1648 | L1587-L1608 HydrophobicContact CD2-CD1 3.55Å; L1594-L1608 HydrophobicContact CD2-CD1 4.23Å; L1594-L1608 HydrophobicContact CG-CD1 4.42Å; L1594-L1608 PolarHBondContact O-N 3.19Å; L1596-L1608 HydrophobicContact CB-CD1 4.11Å; L1596-L1608 HydrophobicContact CB-CD2 4.32Å; L1596-L1608 HydrophobicContact CB-CG 4.31Å; Y1606-L1608 PolarHBondContact O-N 3.12Å; L1608-L1644 HydrophobicContact CB-CD2 4.36Å; L1608-L1644 HydrophobicContact CD1-CB 4.43Å; L1608-L1644 HydrophobicContact CD1-CD2 4.23Å; L1608-I1648 HydrophobicContact CD2-CD1 4.07Å; L1608-I1648 HydrophobicContact CD2-CG1 3.42Å; L1608-I1648 VanDerWaalsContact CD2-CG1 3.42Å |
| 1609 | I | 91.3 | Very high | 85.6 | Confident | 24 Ų | 24 | 64.8 Ų | 64.8 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 131.2 | -179.4 | -55.4 | 174.4 | 0 | 0 | 0 | 106.8 | G1593 L1594 R1612 F1614 Y1639 L1644 | G1593-I1609 CarbonylContact C-O 3.57Å; G1593-I1609 WeakPolarHBondContact CA-O 3.35Å; L1594-I1609 HydrophobicContact CB-CB 4.1Å; L1594-I1609 HydrophobicContact CB-CD1 4.44Å; L1594-I1609 HydrophobicContact CB-CG1 4.42Å; L1594-I1609 HydrophobicContact CD2-CD1 4.14Å; L1594-I1609 PolarHBondContact N-O 2.84Å; L1594-I1609 PolarHBondContact O-N 3.42Å; I1609-R1612 HydrophobicContact CG2-CB 4.18Å; I1609-F1614 HydrophobicContact CB-CE2 4.19Å; I1609-F1614 HydrophobicContact CB-CZ 4.31Å; I1609-F1614 HydrophobicContact CD1-CE2 4.46Å; I1609-F1614 HydrophobicContact CD1-CZ 3.74Å; I1609-F1614 HydrophobicContact CG2-CE2 4.05Å; I1609-F1614 HydrophobicContact CG2-CZ 4.18Å; I1609-Y1639 HydrophobicContact CD1-CD1 3.83Å; I1609-Y1639 HydrophobicContact CD1-CE1 3.34Å; I1609-L1644 HydrophobicContact CD1-CD2 4.2Å |
| 1610 | T | 91.6 | Very high | 86.7 | Confident | 97 Ų | 97 | 63.5 Ų | 63.5 | 60% | 0.595 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 170.4 | 177.6 | 48.5 | 0 | 0 | 0 | 0 | 110.9 | T1592 S1607 R1612 | T1592-T1610 CarbonylContact O-C 3.5Å; S1607-T1610 WeakPolarHBondContact OG-CG2 3.28Å; T1610-R1612 PolarHBondContact O-N 2.94Å |
| 1611 | R | 91.7 | Very high | 87.9 | Confident | 206 Ų | 206 | 62.8 Ų | 62.8 | 78% | 0.777 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 55.5 | 15.9 | 177.5 | -59.2 | -174.3 | -177.8 | 166.1 | 1.3 | 115.4 | T1592 | T1592-R1611 PolarHBondContact O-N 3.05Š|
| 1612 | R | 94.3 | Very high | 89.4 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | trans | -132.6 | 120.7 | -178.4 | -174.5 | 166.7 | -69.8 | -175.3 | 2.9 | 111.2 | G1593 I1609 T1610 F1614 Y1639 | G1593-R1612 WeakPolarHBondContact CA-O 3.5Å; G1593-R1612 PolarHBondContact N-O 2.96Å; G1593-R1612 VanDerWaalsContact N-O 3.14Å; I1609-R1612 HydrophobicContact CG2-CB 4.18Å; T1610-R1612 PolarHBondContact O-N 2.94Å; R1612-F1614 HydrophobicContact CB-CE2 4Å; R1612-F1614 HydrophobicContact CG-CE2 3.97Å; R1612-F1614 HydrophobicContact CG-CZ 4.24Å; R1612-F1614 WeakPolarHBondContact O-CD2 3.46Å; R1612-F1614 VanDerWaalsContact O-CE2 3.28Å; R1612-F1614 WeakPolarHBondContact O-CE2 3.31Å; R1612-Y1639 PolarHBondContact NH1-OH 2.84Å | ||
| 1613 | R | 96.7 | Very high | 90.7 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 31% | 0.313 | 29% | 0.293 | S | S | . | . | trans | -58.7 | 137.4 | 171.1 | -171.2 | -177.4 | -148.9 | -109.6 | -8.1 | 111.9 | L1577 E1591 S1615 S1630 G1631 | L1577-R1613 HydrophobicContact CD1-CG 3.58Å; E1591-R1613 VanDerWaalsContact O-CA 3.29Å; E1591-R1613 WeakPolarHBondContact O-CA 3.42Å; E1591-R1613 PolarHBondContact O-N 3.5Å; E1591-R1613 WeakPolarHBondContact OE1-CD 3.36Å; E1591-R1613 WeakPolarHBondContact OE1-CG 3.41Å; E1591-R1613 IonicContact OE1-CZ 3.32Å; E1591-R1613 IonicContact OE1-NE 3.51Å; E1591-R1613 PolarHBondContact OE1-NE 2.93Å; E1591-R1613 IonicContact OE1-NH2 3.45Å; E1591-R1613 IonicContact OE2-CZ 2.82Å; E1591-R1613 VanDerWaalsContact OE2-CZ 3.28Å; E1591-R1613 IonicContact OE2-NE 2.68Å; E1591-R1613 PolarHBondContact OE2-NE 3.02Å; E1591-R1613 IonicContact OE2-NH2 3.51Å; E1591-R1613 PolarHBondContact OE2-NH2 2.79Å; R1613-S1615 PolarHBondContact NH1-OG 2.97Å; R1613-S1615 VanDerWaalsContact NH1-OG 3.08Å; R1613-S1630 CarbonylContact O-C 3.19Å; R1613-S1630 WeakPolarHBondContact O-CA 3.49Å; R1613-S1630 WeakPolarHBondContact O-CB 3.38Å; R1613-G1631 PolarHBondContact O-N 2.84Å | ||
| 1614 | F | 97.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 83.8 | 172.2 | -76.6 | -89.9 | 0 | 0 | 0 | 111.7 | L1577 C1578 L1590 G1593 L1594 I1609 R1612 R1616 T1628 Y1639 | L1577-F1614 VanDerWaalsContact CB-O 3.31Å; L1577-F1614 WeakPolarHBondContact CB-O 3.42Å; C1578-F1614 PolarHBondContact SG-O 2.79Å; L1590-F1614 PolarHBondContact O-N 2.8Å; G1593-F1614 VanDerWaalsContact C-CD2 3.5Å; L1594-F1614 HydrophobicContact CB-CD2 3.81Å; L1594-F1614 HydrophobicContact CB-CE1 4.39Å; L1594-F1614 HydrophobicContact CB-CE2 3.63Å; L1594-F1614 HydrophobicContact CB-CG 4.28Å; L1594-F1614 HydrophobicContact CB-CZ 3.95Å; I1609-F1614 HydrophobicContact CB-CE2 4.19Å; I1609-F1614 HydrophobicContact CB-CZ 4.31Å; I1609-F1614 HydrophobicContact CD1-CE2 4.46Å; I1609-F1614 HydrophobicContact CD1-CZ 3.74Å; I1609-F1614 HydrophobicContact CG2-CE2 4.05Å; I1609-F1614 HydrophobicContact CG2-CZ 4.18Å; R1612-F1614 HydrophobicContact CB-CE2 4Å; R1612-F1614 HydrophobicContact CG-CE2 3.97Å; R1612-F1614 HydrophobicContact CG-CZ 4.24Å; R1612-F1614 WeakPolarHBondContact O-CD2 3.46Å; R1612-F1614 VanDerWaalsContact O-CE2 3.28Å; R1612-F1614 WeakPolarHBondContact O-CE2 3.31Å; F1614-R1616 PolarHBondContact O-N 3.14Å; F1614-T1628 HydrophobicContact CD1-CG2 3.92Å; F1614-T1628 HydrophobicContact CE1-CG2 4.01Å; F1614-Y1639 AromaticContact CE1-CE2 3.85Å; F1614-Y1639 HydrophobicContact CE1-CE2 3.85Å; F1614-Y1639 HydrophobicContact CZ-CE2 4.28Å |
| 1615 | S | 96.1 | Very high | 92.5 | Very high | 28 Ų | 28 | 53.8 Ų | 53.8 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | -40.7 | -173.3 | -47.1 | 0 | 0 | 0 | 0 | 113.6 | R1613 I1629 N1634 | R1613-S1615 PolarHBondContact NH1-OG 2.97Å; R1613-S1615 VanDerWaalsContact NH1-OG 3.08Å; S1615-I1629 PolarHBondContact N-O 2.7Å; S1615-N1634 PolarHBondContact OG-OD1 2.8Å |
| 1616 | R | 96.4 | Very high | 93 | Very high | 111 Ų | 111 | 51.1 Ų | 51.1 | 42% | 0.419 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 149.5 | 179.7 | -154.4 | 173.6 | -170.7 | 99.1 | -1.2 | 110.1 | C1578 F1614 T1628 I1629 H1672 F1673 | C1578-R1616 VanDerWaalsContact SG-CA 3.59Å; F1614-R1616 PolarHBondContact O-N 3.14Å; R1616-T1628 CarbonylContact O-C 3.56Å; R1616-T1628 VanDerWaalsContact O-CA 3.27Å; R1616-T1628 WeakPolarHBondContact O-CA 3.28Å; R1616-I1629 HydrophobicContact CB-CB 4.5Å; R1616-I1629 HydrophobicContact CB-CD1 4.35Å; R1616-I1629 PolarHBondContact O-N 2.72Å; R1616-H1672 PolarHBondContact NH2-NE2 3.49Å; R1616-F1673 HydrophobicContact CB-CE1 4.09Å; R1616-F1673 HydrophobicContact CG-CE1 4.27Å |
| 1617 | M | 97.2 | Very high | 93.4 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 160.1 | 177.9 | 76.4 | 171 | 83.5 | 0 | 0 | 113.6 | C1578 L1587 L1594 L1626 V1627 T1628 | C1578-M1617 VanDerWaalsContact SG-CE 3.56Å; L1587-M1617 HydrophobicContact CB-CE 4.45Å; L1587-M1617 HydrophobicContact CB-SD 3.88Å; L1594-M1617 HydrophobicContact CD1-CE 3.66Å; L1594-M1617 HydrophobicContact CD1-SD 4.48Å; M1617-L1626 HydrophobicContact CB-CD1 4.08Å; M1617-L1626 HydrophobicContact CG-CD1 4.37Å; M1617-L1626 HydrophobicContact SD-CD1 3.96Å; M1617-V1627 CarbonylContact C-O 3.55Å; M1617-V1627 VanDerWaalsContact CA-O 3.23Å; M1617-V1627 WeakPolarHBondContact CA-O 3.43Å; M1617-T1628 HydrophobicContact CB-CG2 4.11Å |
| 1618 | A | 96.5 | Very high | 93.9 | Very high | 26 Ų | 26 | 44 Ų | 44 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 132.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1627 F1673 I1675 | A1618-V1627 PolarHBondContact N-O 3.17Å; A1618-V1627 PolarHBondContact O-N 3.24Å; A1618-F1673 HydrophobicContact CB-CE2 3.8Å; A1618-F1673 HydrophobicContact CB-CZ 4.03Å; A1618-I1675 HydrophobicContact CB-CD1 3.94Å |
| 1619 | V | 95.7 | Very high | 94.2 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 15% | 0.145 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 131 | 177.5 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | S1580 W1582 L1587 E1621 L1626 L1641 | S1580-V1619 VanDerWaalsContact OG-CG2 3.25Å; S1580-V1619 WeakPolarHBondContact OG-CG2 3.45Å; S1580-V1619 PolarHBondContact OG-N 3.48Å; W1582-V1619 HydrophobicContact CB-CG1 4.33Å; W1582-V1619 HydrophobicContact CB-CG2 4.37Å; L1587-V1619 HydrophobicContact CD1-CG2 3.92Å; V1619-E1621 HydrophobicContact CG1-CG 3.54Å; V1619-L1626 HydrophobicContact CG2-CD1 3.52Å; V1619-L1641 HydrophobicContact CG1-CD1 3.87Å; V1619-L1641 HydrophobicContact CG1-CD2 4.42Å |
| 1620 | L | 94 | Very high | 94.4 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 17% | 0.173 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 85.7 | 169.6 | -70.2 | 173.9 | 0 | 0 | 0 | 109.4 | G1622 Q1623 N1624 I1625 I1675 K1682 F1705 | L1620-G1622 VanDerWaalsContact C-N 3.34Å; L1620-G1622 PolarHBondContact O-N 3.03Å; L1620-Q1623 HydrophobicContact CB-CB 4.22Å; L1620-Q1623 CarbonylContact O-C 3.37Å; L1620-Q1623 PolarHBondContact O-N 3Å; L1620-N1624 PolarHBondContact O-N 2.77Å; L1620-N1624 VanDerWaalsContact O-N 3.13Å; L1620-I1625 HydrophobicContact CB-CD1 4.42Å; L1620-I1625 HydrophobicContact CB-CG1 3.8Å; L1620-I1625 HydrophobicContact CD1-CD1 4.05Å; L1620-I1625 HydrophobicContact CD1-CG1 4.28Å; L1620-I1625 PolarHBondContact N-O 3.36Å; L1620-I1625 PolarHBondContact O-N 3.47Å; L1620-I1675 HydrophobicContact CD1-CD1 3.94Å; L1620-I1675 HydrophobicContact CD1-CG2 4.28Å; L1620-I1675 HydrophobicContact CD2-CG2 4.39Å; L1620-I1675 HydrophobicContact CG-CD1 4.27Å; L1620-K1682 HydrophobicContact CD1-CD 4.35Å; L1620-K1682 HydrophobicContact CD2-CD 4.38Å; L1620-F1705 HydrophobicContact CD1-CE2 4.44Å; L1620-F1705 HydrophobicContact CD1-CZ 4.07Å |
| 1621 | E | 90 | Very high | 94.6 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 34% | 0.341 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -60.2 | -42.2 | -174 | -56.7 | -176.3 | 156.5 | 0 | 0 | 112.5 | W1582 G1583 V1619 Q1623 N1624 R1856 | W1582-E1621 WeakPolarHBondContact CA-OE1 3.49Å; G1583-E1621 PolarHBondContact N-OE1 2.94Å; V1619-E1621 HydrophobicContact CG1-CG 3.54Å; E1621-Q1623 PolarHBondContact O-N 2.69Å; E1621-Q1623 VanDerWaalsContact O-N 3.15Å; E1621-N1624 PolarHBondContact O-N 3.18Å; E1621-R1856 IonicContact OE1-CZ 2.6Å; E1621-R1856 IonicContact OE1-NH1 3.8Å; E1621-R1856 PolarHBondContact OE1-NH1 3.22Å; E1621-R1856 IonicContact OE1-NH2 3.01Å; E1621-R1856 PolarHBondContact OE1-NH2 3.02Å; E1621-R1856 IonicContact OE2-CZ 2.75Å; E1621-R1856 IonicContact OE2-NH1 3.62Å; E1621-R1856 PolarHBondContact OE2-NH1 3.17Å; E1621-R1856 IonicContact OE2-NH2 3.84Å; E1621-R1856 PolarHBondContact OE2-NH2 2.95Å |
| 1622 | G | 86.9 | Confident | 94.6 | Very high | 69 Ų | 69 | 34.8 Ų | 34.8 | 71% | 0.711 | 18% | 0.179 | S | C | * | . | G | 310 helix | trans | -66.6 | -9.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1620 | L1620-G1622 VanDerWaalsContact C-N 3.34Å; L1620-G1622 PolarHBondContact O-N 3.03Å |
| 1623 | Q | 88 | Confident | 94.6 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -111.7 | 0.4 | 172.2 | -85.2 | 58.1 | 50.9 | 0 | 0 | 111.8 | E198 L1620 E1621 I1625 W1697 H1703 | E198-Q1623 VanDerWaalsContact CD-NE2 3.34Å; E198-Q1623 PolarHBondContact OE1-NE2 2.59Å; E198-Q1623 PolarHBondContact OE2-NE2 3.03Å; L1620-Q1623 HydrophobicContact CB-CB 4.22Å; L1620-Q1623 CarbonylContact O-C 3.37Å; L1620-Q1623 PolarHBondContact O-N 3Å; E1621-Q1623 PolarHBondContact O-N 2.69Å; E1621-Q1623 VanDerWaalsContact O-N 3.15Å; Q1623-I1625 VanDerWaalsContact C-N 3.25Å; Q1623-I1625 HydrophobicContact CB-CD1 3.89Å; Q1623-I1625 HydrophobicContact CB-CG1 3.82Å; Q1623-I1625 PolarHBondContact O-N 2.94Å; Q1623-W1697 HydrophobicContact CB-CH2 4.38Å; Q1623-W1697 HydrophobicContact CB-CZ2 3.97Å; Q1623-W1697 HydrophobicContact CG-CD2 4.07Å; Q1623-W1697 HydrophobicContact CG-CG 4.49Å; Q1623-W1697 HydrophobicContact CG-CH2 4.33Å; Q1623-W1697 HydrophobicContact CG-CZ2 3.53Å; Q1623-H1703 PolarHBondContact O-CE1 2.99Å |
| 1624 | N | 91.2 | Very high | 94.5 | Very high | 61 Ų | 61 | 35.8 Ų | 35.8 | 33% | 0.326 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 35.6 | -175.8 | -179.3 | 63.5 | 0 | 0 | 0 | 112.9 | L1620 E1621 L1641 S1642 | L1620-N1624 PolarHBondContact O-N 2.77Å; L1620-N1624 VanDerWaalsContact O-N 3.13Å; E1621-N1624 PolarHBondContact O-N 3.18Å; N1624-L1641 PolarHBondContact O-N 3.4Å; N1624-S1642 WeakPolarHBondContact ND2-CB 3.48Å; N1624-S1642 PolarHBondContact ND2-OG 2.98Å; N1624-S1642 PolarHBondContact OD1-N 3.35Å; N1624-S1642 VanDerWaalsContact OD1-N 3.08Å |
| 1625 | I | 94.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 155.5 | -177.9 | 64.3 | -175.9 | 0 | 0 | 0 | 115 | L1620 Q1623 V1627 V1638 Y1639 Y1640 W1697 F1705 | L1620-I1625 HydrophobicContact CB-CD1 4.42Å; L1620-I1625 HydrophobicContact CB-CG1 3.8Å; L1620-I1625 HydrophobicContact CD1-CD1 4.05Å; L1620-I1625 HydrophobicContact CD1-CG1 4.28Å; L1620-I1625 PolarHBondContact N-O 3.36Å; L1620-I1625 PolarHBondContact O-N 3.47Å; Q1623-I1625 VanDerWaalsContact C-N 3.25Å; Q1623-I1625 HydrophobicContact CB-CD1 3.89Å; Q1623-I1625 HydrophobicContact CB-CG1 3.82Å; Q1623-I1625 PolarHBondContact O-N 2.94Å; I1625-V1627 HydrophobicContact CD1-CG2 4.5Å; I1625-V1638 HydrophobicContact CB-CG1 3.59Å; I1625-V1638 HydrophobicContact CD1-CG1 3.93Å; I1625-V1638 HydrophobicContact CG1-CG1 4.22Å; I1625-V1638 HydrophobicContact CG2-CG1 3.65Å; I1625-Y1639 CarbonylContact C-O 3.47Å; I1625-Y1639 VanDerWaalsContact CA-O 3.32Å; I1625-Y1639 WeakPolarHBondContact CA-O 3.36Å; I1625-Y1640 HydrophobicContact CG2-CD1 3.87Å; I1625-Y1640 HydrophobicContact CG2-CE1 4.12Å; I1625-W1697 HydrophobicContact CD1-CE3 3.97Å; I1625-W1697 HydrophobicContact CD1-CH2 3.75Å; I1625-W1697 HydrophobicContact CD1-CZ3 3.42Å; I1625-W1697 VanDerWaalsContact CD1-CZ3 3.42Å; I1625-W1697 HydrophobicContact CG2-CH2 4.48Å; I1625-F1705 HydrophobicContact CD1-CE2 3.9Å |
| 1626 | L | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 115.4 | 169.9 | 171.3 | 76.8 | 0 | 0 | 0 | 108.2 | L1587 L1594 M1617 V1619 T1628 V1638 Y1639 L1641 L1644 | L1587-L1626 HydrophobicContact CD1-CD1 4Å; L1587-L1626 HydrophobicContact CD1-CD2 4.22Å; L1594-L1626 HydrophobicContact CD2-CD2 3.81Å; M1617-L1626 HydrophobicContact CB-CD1 4.08Å; M1617-L1626 HydrophobicContact CG-CD1 4.37Å; M1617-L1626 HydrophobicContact SD-CD1 3.96Å; V1619-L1626 HydrophobicContact CG2-CD1 3.52Å; L1626-T1628 HydrophobicContact CD1-CG2 4.47Å; L1626-T1628 HydrophobicContact CD2-CG2 3.91Å; L1626-T1628 HydrophobicContact CG-CG2 3.78Å; L1626-V1638 CarbonylContact O-C 3.35Å; L1626-V1638 WeakPolarHBondContact O-CA 3.34Å; L1626-Y1639 PolarHBondContact N-O 3.26Å; L1626-Y1639 PolarHBondContact O-N 3.27Å; L1626-L1641 HydrophobicContact CB-CD2 3.86Å; L1626-L1644 HydrophobicContact CB-CD1 4.44Å; L1626-L1644 HydrophobicContact CD2-CD1 3.77Å |
| 1627 | V | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 138.9 | 173.5 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | M1617 A1618 I1625 V1636 R1637 V1638 F1673 I1675 L1684 F1705 | M1617-V1627 CarbonylContact C-O 3.55Å; M1617-V1627 VanDerWaalsContact CA-O 3.23Å; M1617-V1627 WeakPolarHBondContact CA-O 3.43Å; A1618-V1627 PolarHBondContact N-O 3.17Å; A1618-V1627 PolarHBondContact O-N 3.24Å; I1625-V1627 HydrophobicContact CD1-CG2 4.5Å; V1627-V1636 HydrophobicContact CG1-CG1 4.23Å; V1627-R1637 CarbonylContact C-O 3.58Å; V1627-V1638 HydrophobicContact CG2-CG2 4.48Å; V1627-F1673 HydrophobicContact CB-CE2 4.16Å; V1627-F1673 HydrophobicContact CB-CZ 4.2Å; V1627-F1673 HydrophobicContact CG1-CD2 4.35Å; V1627-F1673 HydrophobicContact CG1-CE2 3.84Å; V1627-F1673 HydrophobicContact CG1-CZ 3.93Å; V1627-I1675 HydrophobicContact CB-CD1 4.03Å; V1627-I1675 HydrophobicContact CG1-CD1 4.5Å; V1627-I1675 HydrophobicContact CG2-CD1 3.79Å; V1627-L1684 HydrophobicContact CG1-CD1 4.24Å; V1627-L1684 HydrophobicContact CG1-CD2 4.14Å; V1627-F1705 HydrophobicContact CG2-CD2 4.45Å; V1627-F1705 HydrophobicContact CG2-CE2 3.7Å; V1627-F1705 HydrophobicContact CG2-CZ 4.46Å |
| 1628 | T | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 154.8 | -174.4 | 64.9 | 0 | 0 | 0 | 0 | 112.5 | F1614 R1616 M1617 L1626 S1630 V1636 R1637 Y1639 | F1614-T1628 HydrophobicContact CD1-CG2 3.92Å; F1614-T1628 HydrophobicContact CE1-CG2 4.01Å; R1616-T1628 CarbonylContact O-C 3.56Å; R1616-T1628 VanDerWaalsContact O-CA 3.27Å; R1616-T1628 WeakPolarHBondContact O-CA 3.28Å; M1617-T1628 HydrophobicContact CB-CG2 4.11Å; L1626-T1628 HydrophobicContact CD1-CG2 4.47Å; L1626-T1628 HydrophobicContact CD2-CG2 3.91Å; L1626-T1628 HydrophobicContact CG-CG2 3.78Å; T1628-S1630 PolarHBondContact OG1-OG 2.89Å; T1628-V1636 CarbonylContact O-C 3.53Å; T1628-V1636 VanDerWaalsContact O-CA 3.27Å; T1628-V1636 WeakPolarHBondContact O-CA 3.37Å; T1628-R1637 PolarHBondContact N-O 3.44Å; T1628-R1637 PolarHBondContact O-N 3.05Å; T1628-R1637 PolarHBondContact OG1-O 2.96Å; T1628-Y1639 HydrophobicContact CG2-CD2 4.09Å; T1628-Y1639 HydrophobicContact CG2-CE2 4.35Å |
| 1629 | I | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.5 | 151.9 | -68.1 | 167.1 | 0 | 0 | 0 | 106.4 | S1615 R1616 N1634 V1636 A1670 F1673 | S1615-I1629 PolarHBondContact N-O 2.7Å; R1616-I1629 HydrophobicContact CB-CB 4.5Å; R1616-I1629 HydrophobicContact CB-CD1 4.35Å; R1616-I1629 PolarHBondContact O-N 2.72Å; I1629-N1634 HydrophobicContact CG2-CB 3.77Å; I1629-V1636 HydrophobicContact CG1-CG2 4.28Å; I1629-A1670 HydrophobicContact CD1-CB 3.98Å; I1629-A1670 HydrophobicContact CG1-CB 3.99Å; I1629-F1673 HydrophobicContact CD1-CD1 3.76Å; I1629-F1673 HydrophobicContact CD1-CE1 4.42Å; I1629-F1673 HydrophobicContact CG1-CD1 3.78Å; I1629-F1673 HydrophobicContact CG1-CE1 4.14Å |
| 1630 | S | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 154.2 | -172 | 56.8 | 0 | 0 | 0 | 0 | 116.1 | R1613 T1628 R1635 R1637 | R1613-S1630 CarbonylContact O-C 3.19Å; R1613-S1630 WeakPolarHBondContact O-CA 3.49Å; R1613-S1630 WeakPolarHBondContact O-CB 3.38Å; T1628-S1630 PolarHBondContact OG1-OG 2.89Å; S1630-R1635 PolarHBondContact N-O 2.82Å; S1630-R1635 PolarHBondContact O-N 2.8Å; S1630-R1635 VanDerWaalsContact O-N 3.15Å; S1630-R1637 PolarHBondContact O-NH1 3.34Å; S1630-R1637 PolarHBondContact OG-NH1 3.41Å |
| 1631 | G | 94.4 | Very high | 93.6 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 8% | 0.082 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 171.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1613 K1633 N1634 | R1613-G1631 PolarHBondContact O-N 2.84Å; G1631-K1633 PolarHBondContact O-N 3.19Å; G1631-N1634 PolarHBondContact O-N 2.89Å |
| 1632 | R | 92.8 | Very high | 93.4 | Very high | 142 Ų | 142 | 31.1 Ų | 31.1 | 54% | 0.536 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | -55.3 | -175.6 | -53.1 | 174.5 | -166.3 | -166.6 | 0 | 112.3 | D1197 D1199 N1634 | D1197-R1632 WeakPolarHBondContact OD1-CD 3.45Å; D1197-R1632 IonicContact OD1-CZ 2.97Å; D1197-R1632 IonicContact OD1-NE 3.28Å; D1197-R1632 IonicContact OD1-NH1 3.17Å; D1197-R1632 PolarHBondContact OD1-NH1 3.07Å; D1199-R1632 VanDerWaalsContact CG-NH2 3.28Å; D1199-R1632 IonicContact OD1-NH2 3.32Å; D1199-R1632 IonicContact OD2-CZ 2.72Å; D1199-R1632 VanDerWaalsContact OD2-CZ 3.29Å; D1199-R1632 IonicContact OD2-NE 3.7Å; D1199-R1632 PolarHBondContact OD2-NE 3.34Å; D1199-R1632 IonicContact OD2-NH2 2.69Å; D1199-R1632 PolarHBondContact OD2-NH2 2.7Å; D1199-R1632 VanDerWaalsContact OD2-NH2 3.09Å; R1632-N1634 PolarHBondContact O-N 3.13Å |
| 1633 | K | 93.4 | Very high | 93.5 | Very high | 98 Ų | 98 | 29.5 Ų | 29.5 | 43% | 0.426 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 9.9 | 178.3 | -78.7 | 162.9 | 161.2 | 155.4 | 0 | 115.4 | D1197 G1631 R1635 Q1668 G1669 | D1197-K1633 WeakPolarHBondContact OD2-CD 3.49Å; D1197-K1633 WeakPolarHBondContact OD2-CE 3.44Å; D1197-K1633 IonicContact OD2-NZ 3.15Å; D1197-K1633 PolarHBondContact OD2-NZ 2.88Å; G1631-K1633 PolarHBondContact O-N 3.19Å; K1633-R1635 VanDerWaalsContact C-N 3.32Å; K1633-R1635 HydrophobicContact CB-CG 4.32Å; K1633-R1635 PolarHBondContact O-N 2.93Å; K1633-Q1668 VanDerWaalsContact CD-OE1 3.28Å; K1633-G1669 PolarHBondContact O-N 3.44Å |
| 1634 | N | 95.4 | Very high | 93.4 | Very high | 45 Ų | 45 | 28.7 Ų | 28.7 | 24% | 0.241 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 41.6 | 51.9 | -179.2 | -74.3 | -65 | 0 | 0 | 0 | 113.5 | S1615 I1629 G1631 R1632 A1670 | S1615-N1634 PolarHBondContact OG-OD1 2.8Å; I1629-N1634 HydrophobicContact CG2-CB 3.77Å; G1631-N1634 PolarHBondContact O-N 2.89Å; R1632-N1634 PolarHBondContact O-N 3.13Å; N1634-A1670 PolarHBondContact O-N 3.41Å; N1634-A1670 VanDerWaalsContact O-N 3.11Å |
| 1635 | R | 95 | Very high | 93 | Very high | 60 Ų | 60 | 33.7 Ų | 33.7 | 23% | 0.226 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 143.4 | -179.2 | -70 | 176.3 | 95.3 | 164.6 | 4.2 | 110.8 | S1630 K1633 E1665 Q1668 | S1630-R1635 PolarHBondContact N-O 2.82Å; S1630-R1635 PolarHBondContact O-N 2.8Å; S1630-R1635 VanDerWaalsContact O-N 3.15Å; K1633-R1635 VanDerWaalsContact C-N 3.32Å; K1633-R1635 HydrophobicContact CB-CG 4.32Å; K1633-R1635 PolarHBondContact O-N 2.93Å; R1635-E1665 PolarHBondContact NH2-O 2.61Å; R1635-Q1668 HydrophobicContact CG-CB 4.36Å; R1635-Q1668 HydrophobicContact CG-CG 4.01Å |
| 1636 | V | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 119.2 | 174.1 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | V1627 T1628 I1629 N1662 V1663 L1667 A1670 L1684 I1686 | V1627-V1636 HydrophobicContact CG1-CG1 4.23Å; T1628-V1636 CarbonylContact O-C 3.53Å; T1628-V1636 VanDerWaalsContact O-CA 3.27Å; T1628-V1636 WeakPolarHBondContact O-CA 3.37Å; I1629-V1636 HydrophobicContact CG1-CG2 4.28Å; V1636-N1662 WeakPolarHBondContact O-CA 3.27Å; V1636-V1663 HydrophobicContact CB-CB 4.13Å; V1636-V1663 HydrophobicContact CB-CG2 4.41Å; V1636-V1663 HydrophobicContact CG1-CB 3.89Å; V1636-V1663 HydrophobicContact CG1-CG2 3.7Å; V1636-V1663 PolarHBondContact O-N 3.34Å; V1636-L1667 HydrophobicContact CG2-CD2 4.16Å; V1636-A1670 HydrophobicContact CG2-CB 3.46Å; V1636-A1670 VanDerWaalsContact CG2-CB 3.46Å; V1636-L1684 HydrophobicContact CG1-CD2 4.48Å; V1636-I1686 HydrophobicContact CG1-CD1 4.33Å; V1636-I1686 HydrophobicContact CG2-CD1 4.2Å; V1636-I1686 HydrophobicContact CG2-CG2 3.99Å |
| 1637 | R | 94 | Very high | 91.5 | Very high | 20 Ų | 20 | 38.1 Ų | 38.1 | 8% | 0.075 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 140.9 | -177.7 | -69.6 | -173.5 | -178.4 | 91.8 | -0.4 | 112.8 | V1627 T1628 S1630 Y1639 W1660 V1661 N1662 | V1627-R1637 CarbonylContact C-O 3.58Å; T1628-R1637 PolarHBondContact N-O 3.44Å; T1628-R1637 PolarHBondContact O-N 3.05Å; T1628-R1637 PolarHBondContact OG1-O 2.96Å; S1630-R1637 PolarHBondContact O-NH1 3.34Å; S1630-R1637 PolarHBondContact OG-NH1 3.41Å; R1637-Y1639 HydrophobicContact CB-CD2 4.29Å; R1637-Y1639 HydrophobicContact CB-CE2 3.78Å; R1637-W1660 VanDerWaalsContact CD-CE3 3.49Å; R1637-W1660 HydrophobicContact CG-CE3 4.04Å; R1637-W1660 HydrophobicContact CG-CZ3 4.3Å; R1637-W1660 VanDerWaalsContact NE-CZ3 3.35Å; R1637-V1661 CarbonylContact C-O 3.59Å; R1637-V1661 WeakPolarHBondContact CA-O 3.35Å; R1637-N1662 WeakPolarHBondContact CG-OD1 3.45Å; R1637-N1662 PolarHBondContact NE-OD1 3.02Å |
| 1638 | V | 94.4 | Very high | 90.5 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116.7 | 171.3 | -168.6 | 0 | 0 | 0 | 0 | 108.6 | I1625 L1626 V1627 W1660 V1661 V1663 F1705 | I1625-V1638 HydrophobicContact CB-CG1 3.59Å; I1625-V1638 HydrophobicContact CD1-CG1 3.93Å; I1625-V1638 HydrophobicContact CG1-CG1 4.22Å; I1625-V1638 HydrophobicContact CG2-CG1 3.65Å; L1626-V1638 CarbonylContact O-C 3.35Å; L1626-V1638 WeakPolarHBondContact O-CA 3.34Å; V1627-V1638 HydrophobicContact CG2-CG2 4.48Å; V1638-W1660 CarbonylContact O-C 3.55Å; V1638-W1660 WeakPolarHBondContact O-CA 3.38Å; V1638-W1660 WeakPolarHBondContact O-CB 3.48Å; V1638-V1661 HydrophobicContact CB-CG2 3.94Å; V1638-V1661 HydrophobicContact CG2-CG2 4.39Å; V1638-V1661 PolarHBondContact N-O 3.05Å; V1638-V1661 PolarHBondContact O-N 3.24Å; V1638-V1663 HydrophobicContact CG2-CG2 3.48Å; V1638-V1663 VanDerWaalsContact CG2-CG2 3.48Å; V1638-F1705 HydrophobicContact CG2-CD2 4.1Å |
| 1639 | Y | 93.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 139.5 | 173 | -71.3 | -95.2 | 0 | 0 | 0 | 110 | I1609 R1612 F1614 I1625 L1626 T1628 R1637 W1643 W1660 | I1609-Y1639 HydrophobicContact CD1-CD1 3.83Å; I1609-Y1639 HydrophobicContact CD1-CE1 3.34Å; R1612-Y1639 PolarHBondContact NH1-OH 2.84Å; F1614-Y1639 AromaticContact CE1-CE2 3.85Å; F1614-Y1639 HydrophobicContact CE1-CE2 3.85Å; F1614-Y1639 HydrophobicContact CZ-CE2 4.28Å; I1625-Y1639 CarbonylContact C-O 3.47Å; I1625-Y1639 VanDerWaalsContact CA-O 3.32Å; I1625-Y1639 WeakPolarHBondContact CA-O 3.36Å; L1626-Y1639 PolarHBondContact N-O 3.26Å; L1626-Y1639 PolarHBondContact O-N 3.27Å; T1628-Y1639 HydrophobicContact CG2-CD2 4.09Å; T1628-Y1639 HydrophobicContact CG2-CE2 4.35Å; R1637-Y1639 HydrophobicContact CB-CD2 4.29Å; R1637-Y1639 HydrophobicContact CB-CE2 3.78Å; Y1639-W1643 HydrophobicContact CD1-CZ3 4.18Å; Y1639-W1660 HydrophobicContact CD1-CB 3.48Å; Y1639-W1660 VanDerWaalsContact CD1-CB 3.48Å; Y1639-W1660 HydrophobicContact CD1-CG 4.11Å; Y1639-W1660 HydrophobicContact CD2-CB 4.41Å; Y1639-W1660 HydrophobicContact CE1-CB 3.59Å; Y1639-W1660 AromaticContact CE1-CD1 3.87Å; Y1639-W1660 AromaticContact CE1-CG 3.73Å; Y1639-W1660 HydrophobicContact CE1-CG 3.73Å; Y1639-W1660 HydrophobicContact CG-CB 3.9Å |
| 1640 | Y | 91.6 | Very high | 87.7 | Confident | 60 Ų | 60 | 55 Ų | 55 | 24% | 0.235 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 122.8 | 173.6 | -63.5 | -68.2 | 0 | 0 | 0 | 110.8 | I1625 S1642 W1643 L1644 G1659 | I1625-Y1640 HydrophobicContact CG2-CD1 3.87Å; I1625-Y1640 HydrophobicContact CG2-CE1 4.12Å; Y1640-S1642 PolarHBondContact O-N 2.68Å; Y1640-W1643 PolarHBondContact O-N 3.26Å; Y1640-L1644 PolarHBondContact O-N 2.85Å; Y1640-G1659 WeakPolarHBondContact CD2-O 3.4Å; Y1640-G1659 PolarHBondContact N-O 3.44Å |
| 1641 | L | 90 | Very high | 85.8 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -32.7 | -179.9 | -65.7 | 174.2 | 0 | 0 | 0 | 111.6 | W1582 V1619 N1624 L1626 W1643 L1644 R1645 | W1582-L1641 HydrophobicContact CD2-CD2 3.97Å; W1582-L1641 HydrophobicContact CE3-CD2 4.41Å; W1582-L1641 HydrophobicContact CG-CD2 4.21Å; W1582-L1641 VanDerWaalsContact CH2-O 3.27Å; W1582-L1641 WeakPolarHBondContact CH2-O 3.26Å; W1582-L1641 HydrophobicContact CZ2-CB 3.8Å; W1582-L1641 HydrophobicContact CZ2-CD2 4.35Å; W1582-L1641 VanDerWaalsContact CZ2-O 3.28Å; W1582-L1641 WeakPolarHBondContact CZ2-O 3.34Å; V1619-L1641 HydrophobicContact CG1-CD1 3.87Å; V1619-L1641 HydrophobicContact CG1-CD2 4.42Å; N1624-L1641 PolarHBondContact O-N 3.4Å; L1626-L1641 HydrophobicContact CB-CD2 3.86Å; L1641-W1643 VanDerWaalsContact C-N 3.31Å; L1641-W1643 PolarHBondContact O-N 3.3Å; L1641-L1644 HydrophobicContact CD2-CD1 4.32Å; L1641-L1644 PolarHBondContact O-N 2.82Å; L1641-R1645 WeakPolarHBondContact O-CB 3.34Å; L1641-R1645 PolarHBondContact O-N 3.33Å |
| 1642 | S | 85.6 | Confident | 83.4 | Confident | 64 Ų | 64 | 67.3 Ų | 67.3 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.4 | -31.3 | 173.4 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | N1624 Y1640 R1645 S1646 | N1624-S1642 WeakPolarHBondContact ND2-CB 3.48Å; N1624-S1642 PolarHBondContact ND2-OG 2.98Å; N1624-S1642 PolarHBondContact OD1-N 3.35Å; N1624-S1642 VanDerWaalsContact OD1-N 3.08Å; Y1640-S1642 PolarHBondContact O-N 2.68Å; S1642-R1645 WeakPolarHBondContact O-CB 3.37Å; S1642-S1646 PolarHBondContact O-N 2.7Å |
| 1643 | W | 87.4 | Confident | 81.4 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 13% | 0.129 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -81.6 | -38.5 | 175.4 | 177.9 | 95.2 | 0 | 0 | 0 | 111.6 | Y1639 Y1640 L1641 R1645 S1646 K1647 | Y1639-W1643 HydrophobicContact CD1-CZ3 4.18Å; Y1640-W1643 PolarHBondContact O-N 3.26Å; L1641-W1643 VanDerWaalsContact C-N 3.31Å; L1641-W1643 PolarHBondContact O-N 3.3Å; W1643-R1645 PolarHBondContact O-N 3.11Å; W1643-S1646 PolarHBondContact O-N 3.33Å; W1643-S1646 VanDerWaalsContact O-N 3.17Å; W1643-S1646 PolarHBondContact O-OG 3.31Å; W1643-K1647 HydrophobicContact CD2-CG 4.49Å; W1643-K1647 HydrophobicContact CE3-CG 4.4Å; W1643-K1647 HydrophobicContact CH2-CG 4.47Å; W1643-K1647 HydrophobicContact CZ3-CG 4.39Å; W1643-K1647 PolarHBondContact O-N 3Å; W1643-K1647 VanDerWaalsContact O-N 3.12Å |
| 1644 | L | 87.6 | Confident | 79.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.2 | -29.8 | 167.7 | -66.6 | 174.9 | 0 | 0 | 0 | 111.3 | W1582 L1594 L1608 I1609 L1626 Y1640 L1641 I1648 | W1582-L1644 HydrophobicContact CH2-CB 4.05Å; W1582-L1644 HydrophobicContact CZ3-CB 4.11Å; L1594-L1644 HydrophobicContact CD2-CD1 4.31Å; L1594-L1644 HydrophobicContact CD2-CD2 4.28Å; L1608-L1644 HydrophobicContact CB-CD2 4.36Å; L1608-L1644 HydrophobicContact CD1-CB 4.43Å; L1608-L1644 HydrophobicContact CD1-CD2 4.23Å; I1609-L1644 HydrophobicContact CD1-CD2 4.2Å; L1626-L1644 HydrophobicContact CB-CD1 4.44Å; L1626-L1644 HydrophobicContact CD2-CD1 3.77Å; Y1640-L1644 PolarHBondContact O-N 2.85Å; L1641-L1644 HydrophobicContact CD2-CD1 4.32Å; L1641-L1644 PolarHBondContact O-N 2.82Å; L1644-I1648 WeakPolarHBondContact O-CG1 3.34Å; L1644-I1648 PolarHBondContact O-N 3.41Å |
| 1645 | R | 82.9 | Confident | 77.3 | Confident | 166 Ų | 166 | 63.4 Ų | 63.4 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -72.5 | -37.5 | 175 | -166.4 | 172.4 | -179.5 | 161 | 1.2 | 113.4 | W1582 L1641 S1642 W1643 I1648 M1649 | W1582-R1645 HydrophobicContact CH2-CB 3.92Å; W1582-R1645 HydrophobicContact CZ2-CB 4.21Å; L1641-R1645 WeakPolarHBondContact O-CB 3.34Å; L1641-R1645 PolarHBondContact O-N 3.33Å; S1642-R1645 WeakPolarHBondContact O-CB 3.37Å; W1643-R1645 PolarHBondContact O-N 3.11Å; R1645-I1648 PolarHBondContact O-N 3.27Å; R1645-M1649 VanDerWaalsContact O-CG 3.31Å; R1645-M1649 WeakPolarHBondContact O-CG 3.49Å; R1645-M1649 PolarHBondContact O-N 2.85Å; R1645-M1649 VanDerWaalsContact O-N 3.07Å |
| 1646 | S | 78.7 | Confident | 75.2 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 12% | 0.119 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.2 | -35.7 | 175.1 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | S1642 W1643 I1648 M1649 K1650 T1651 C1654 | S1642-S1646 PolarHBondContact O-N 2.7Å; W1643-S1646 PolarHBondContact O-N 3.33Å; W1643-S1646 VanDerWaalsContact O-N 3.17Å; W1643-S1646 PolarHBondContact O-OG 3.31Å; S1646-I1648 PolarHBondContact O-N 3.27Å; S1646-M1649 CarbonylContact O-C 3.49Å; S1646-M1649 PolarHBondContact O-N 2.87Å; S1646-K1650 PolarHBondContact O-N 3.45Å; S1646-T1651 PolarHBondContact O-N 3.42Å; S1646-C1654 PolarHBondContact OG-SG 3.46Å |
| 1647 | K | 78.4 | Confident | 73.5 | Confident | 76 Ų | 76 | 75.4 Ų | 75.4 | 33% | 0.33 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.9 | -44.7 | 169 | -71.3 | -75.1 | -172.3 | -166.4 | 0 | 112.3 | W1643 K1650 D1655 | W1643-K1647 HydrophobicContact CD2-CG 4.49Å; W1643-K1647 HydrophobicContact CE3-CG 4.4Å; W1643-K1647 HydrophobicContact CH2-CG 4.47Å; W1643-K1647 HydrophobicContact CZ3-CG 4.39Å; W1643-K1647 PolarHBondContact O-N 3Å; W1643-K1647 VanDerWaalsContact O-N 3.12Å; K1647-K1650 PolarHBondContact O-N 3.48Å; K1647-D1655 WeakPolarHBondContact CE-OD1 3.41Å; K1647-D1655 IonicContact NZ-OD1 3.12Å; K1647-D1655 PolarHBondContact NZ-OD1 3.3Å |
| 1648 | I | 76.6 | Confident | 72.4 | Confident | 45 Ų | 45 | 79.6 Ų | 79.6 | 23% | 0.231 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.1 | -65.8 | 162.7 | 0 | 0 | 0 | 111.4 | W1582 L1596 L1608 L1644 R1645 S1646 K1650 | W1582-I1648 HydrophobicContact CH2-CD1 4.13Å; W1582-I1648 HydrophobicContact CZ3-CD1 3.77Å; L1596-I1648 HydrophobicContact CD1-CD1 3.91Å; L1608-I1648 HydrophobicContact CD2-CD1 4.07Å; L1608-I1648 HydrophobicContact CD2-CG1 3.42Å; L1608-I1648 VanDerWaalsContact CD2-CG1 3.42Å; L1644-I1648 WeakPolarHBondContact O-CG1 3.34Å; L1644-I1648 PolarHBondContact O-N 3.41Å; R1645-I1648 PolarHBondContact O-N 3.27Å; S1646-I1648 PolarHBondContact O-N 3.27Å; I1648-K1650 PolarHBondContact O-N 2.99Å |
| 1649 | M | 70.7 | Confident | 71.9 | Confident | 125 Ų | 125 | 79.6 Ų | 79.6 | 62% | 0.616 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -76.1 | -3.6 | -177.1 | -66.4 | -63.3 | -58 | 0 | 0 | 113.8 | R1645 S1646 T1651 | R1645-M1649 VanDerWaalsContact O-CG 3.31Å; R1645-M1649 WeakPolarHBondContact O-CG 3.49Å; R1645-M1649 PolarHBondContact O-N 2.85Å; R1645-M1649 VanDerWaalsContact O-N 3.07Å; S1646-M1649 CarbonylContact O-C 3.49Å; S1646-M1649 PolarHBondContact O-N 2.87Å; M1649-T1651 VanDerWaalsContact CB-OG1 3.28Å; M1649-T1651 WeakPolarHBondContact CB-OG1 3.49Å; M1649-T1651 PolarHBondContact O-N 3.1Å; M1649-T1651 VanDerWaalsContact O-N 3.17Å |
| 1650 | K | 66.8 | Low | 71.6 | Confident | 184 Ų | 184 | 81.4 Ų | 81.4 | 80% | 0.8 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 41.8 | -171.7 | -62.6 | -170.3 | 175.4 | -170.1 | 0 | 112.9 | S1646 K1647 I1648 E1652 | S1646-K1650 PolarHBondContact O-N 3.45Å; K1647-K1650 PolarHBondContact O-N 3.48Å; I1648-K1650 PolarHBondContact O-N 2.99Å; K1650-E1652 PolarHBondContact O-N 3.42Å; K1650-E1652 VanDerWaalsContact O-N 3.08Å |
| 1651 | T | 56.7 | Low | 71.4 | Confident | 78 Ų | 78 | 81.3 Ų | 81.3 | 48% | 0.479 | 42% | 0.415 | S | S | . | . | trans | -79.6 | 96.5 | -175.6 | -50.5 | 0 | 0 | 0 | 0 | 110.2 | S1646 M1649 | S1646-T1651 PolarHBondContact O-N 3.42Å; M1649-T1651 VanDerWaalsContact CB-OG1 3.28Å; M1649-T1651 WeakPolarHBondContact CB-OG1 3.49Å; M1649-T1651 PolarHBondContact O-N 3.1Å; M1649-T1651 VanDerWaalsContact O-N 3.17Å | ||
| 1652 | E | 43.7 | Very low | 71.4 | Confident | 190 Ų | 190 | 83.5 Ų | 83.5 | 89% | 0.888 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 137.9 | -180 | -63 | -177.6 | 173 | 0 | 0 | 112.1 | K1650 | K1650-E1652 PolarHBondContact O-N 3.42Å; K1650-E1652 VanDerWaalsContact O-N 3.08Å |
| 1653 | G | 50.2 | Low | 71.4 | Confident | 78 Ų | 78 | 80.6 Ų | 80.6 | 80% | 0.804 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.6 | -1.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1654 | C | 48.6 | Very low | 71.1 | Confident | 55 Ų | 55 | 80.1 Ų | 80.1 | 37% | 0.372 | 41% | 0.412 | S | S | . | . | trans | -88.5 | -17.2 | 177.8 | -164.6 | 0 | 0 | 0 | 0 | 114.4 | S1646 K1656 | S1646-C1654 PolarHBondContact OG-SG 3.46Å; C1654-K1656 PolarHBondContact O-N 3.12Å | ||
| 1655 | D | 53.1 | Low | 70.4 | Confident | 69 Ų | 69 | 87.6 Ų | 87.6 | 37% | 0.369 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -11.1 | -164.5 | -61.4 | -91.1 | 0 | 0 | 0 | 115.6 | K1647 K1657 | K1647-D1655 WeakPolarHBondContact CE-OD1 3.41Å; K1647-D1655 IonicContact NZ-OD1 3.12Å; K1647-D1655 PolarHBondContact NZ-OD1 3.3Å; D1655-K1657 VanDerWaalsContact C-N 3.28Å; D1655-K1657 PolarHBondContact O-N 2.78Å |
| 1656 | K | 52.8 | Low | 70.1 | Confident | 183 Ų | 183 | 86.4 Ų | 86.4 | 80% | 0.796 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -6.2 | -174.4 | -77.8 | -158.4 | 174.3 | -162 | 0 | 116.7 | C1654 | C1654-K1656 PolarHBondContact O-N 3.12Š|
| 1657 | K | 59.7 | Low | 70.4 | Confident | 130 Ų | 130 | 85.8 Ų | 85.8 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -131 | 131.9 | 176.8 | -67.1 | -173.8 | -179.6 | 178.1 | 0 | 110 | E58 D1655 G1659 | E58-K1657 IonicContact OE1-NZ 3.52Å; E58-K1657 PolarHBondContact OE1-NZ 2.73Å; E58-K1657 IonicContact OE2-NZ 2.76Å; E58-K1657 PolarHBondContact OE2-NZ 2.82Å; D1655-K1657 VanDerWaalsContact C-N 3.28Å; D1655-K1657 PolarHBondContact O-N 2.78Å; K1657-G1659 PolarHBondContact O-N 3.32Å; K1657-G1659 VanDerWaalsContact O-N 3.14Å |
| 1658 | N | 71.8 | Confident | 70.9 | Confident | 108 Ų | 108 | 85.8 Ų | 85.8 | 58% | 0.578 | 45% | 0.45 | S | S | * | . | trans | -60.4 | 114.2 | -174.4 | -111.3 | -36.1 | 0 | 0 | 0 | 110.5 | W1660 | N1658-W1660 PolarHBondContact O-N 2.71Å; N1658-W1660 PolarHBondContact OD1-NE1 2.94Å | ||
| 1659 | G | 82.6 | Confident | 71.7 | Confident | 5 Ų | 5 | 85.2 Ų | 85.2 | 5% | 0.052 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -78.2 | 21.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y1640 K1657 | Y1640-G1659 WeakPolarHBondContact CD2-O 3.4Å; Y1640-G1659 PolarHBondContact N-O 3.44Å; K1657-G1659 PolarHBondContact O-N 3.32Å; K1657-G1659 VanDerWaalsContact O-N 3.14Å |
| 1660 | W | 87.8 | Confident | 72.9 | Confident | 39 Ų | 39 | 79.4 Ų | 79.4 | 15% | 0.148 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 158.2 | -174.7 | 61.8 | -84.1 | 0 | 0 | 0 | 111 | R1637 V1638 Y1639 N1658 N1662 | R1637-W1660 VanDerWaalsContact CD-CE3 3.49Å; R1637-W1660 HydrophobicContact CG-CE3 4.04Å; R1637-W1660 HydrophobicContact CG-CZ3 4.3Å; R1637-W1660 VanDerWaalsContact NE-CZ3 3.35Å; V1638-W1660 CarbonylContact O-C 3.55Å; V1638-W1660 WeakPolarHBondContact O-CA 3.38Å; V1638-W1660 WeakPolarHBondContact O-CB 3.48Å; Y1639-W1660 HydrophobicContact CD1-CB 3.48Å; Y1639-W1660 VanDerWaalsContact CD1-CB 3.48Å; Y1639-W1660 HydrophobicContact CD1-CG 4.11Å; Y1639-W1660 HydrophobicContact CD2-CB 4.41Å; Y1639-W1660 HydrophobicContact CE1-CB 3.59Å; Y1639-W1660 AromaticContact CE1-CD1 3.87Å; Y1639-W1660 AromaticContact CE1-CG 3.73Å; Y1639-W1660 HydrophobicContact CE1-CG 3.73Å; Y1639-W1660 HydrophobicContact CG-CB 3.9Å; N1658-W1660 PolarHBondContact O-N 2.71Å; N1658-W1660 PolarHBondContact OD1-NE1 2.94Å; W1660-N1662 WeakPolarHBondContact CZ3-OD1 3.39Å |
| 1661 | V | 86.8 | Confident | 74.3 | Confident | 59 Ų | 59 | 74.3 Ų | 74.3 | 36% | 0.358 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.4 | 173 | -64.2 | 0 | 0 | 0 | 0 | 110 | R1637 V1638 | R1637-V1661 CarbonylContact C-O 3.59Å; R1637-V1661 WeakPolarHBondContact CA-O 3.35Å; V1638-V1661 HydrophobicContact CB-CG2 3.94Å; V1638-V1661 HydrophobicContact CG2-CG2 4.39Å; V1638-V1661 PolarHBondContact N-O 3.05Å; V1638-V1661 PolarHBondContact O-N 3.24Å |
| 1662 | N | 90 | Very high | 76.2 | Confident | 48 Ų | 48 | 71.3 Ų | 71.3 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 147.7 | 165.4 | -62.4 | -48.9 | 0 | 0 | 0 | 109.3 | V1636 R1637 W1660 G1664 | V1636-N1662 WeakPolarHBondContact O-CA 3.27Å; R1637-N1662 WeakPolarHBondContact CG-OD1 3.45Å; R1637-N1662 PolarHBondContact NE-OD1 3.02Å; W1660-N1662 WeakPolarHBondContact CZ3-OD1 3.39Å; N1662-G1664 VanDerWaalsContact CB-O 3.32Å; N1662-G1664 WeakPolarHBondContact CB-O 3.47Å; N1662-G1664 PolarHBondContact O-N 3.14Å |
| 1663 | V | 87.3 | Confident | 78.7 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -83.5 | 108.1 | 162.2 | -179.2 | 0 | 0 | 0 | 0 | 106.2 | V1636 V1638 L1667 L1684 I1686 Y1695 F1705 | V1636-V1663 HydrophobicContact CB-CB 4.13Å; V1636-V1663 HydrophobicContact CB-CG2 4.41Å; V1636-V1663 HydrophobicContact CG1-CB 3.89Å; V1636-V1663 HydrophobicContact CG1-CG2 3.7Å; V1636-V1663 PolarHBondContact O-N 3.34Å; V1638-V1663 HydrophobicContact CG2-CG2 3.48Å; V1638-V1663 VanDerWaalsContact CG2-CG2 3.48Å; V1663-L1667 HydrophobicContact CB-CD1 4.38Å; V1663-L1667 HydrophobicContact CG1-CD1 4.03Å; V1663-L1667 WeakPolarHBondContact O-CB 3.42Å; V1663-L1667 WeakPolarHBondContact O-CD1 3.43Å; V1663-L1684 HydrophobicContact CG1-CD2 4.16Å; V1663-L1684 HydrophobicContact CG2-CD2 4.07Å; V1663-I1686 HydrophobicContact CG1-CD1 4.22Å; V1663-Y1695 HydrophobicContact CG1-CD1 3.52Å; V1663-Y1695 HydrophobicContact CG1-CD2 3.95Å; V1663-Y1695 HydrophobicContact CG1-CE1 3.71Å; V1663-Y1695 HydrophobicContact CG1-CE2 4.12Å; V1663-Y1695 HydrophobicContact CG1-CG 3.71Å; V1663-F1705 HydrophobicContact CG1-CB 4.17Å; V1663-F1705 HydrophobicContact CG2-CB 4.4Å |
| 1664 | G | 79.4 | Confident | 80.9 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 25% | 0.247 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 71.3 | 152.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1662 | N1662-G1664 VanDerWaalsContact CB-O 3.32Å; N1662-G1664 WeakPolarHBondContact CB-O 3.47Å; N1662-G1664 PolarHBondContact O-N 3.14Å |
| 1665 | E | 74.1 | Confident | 83.2 | Confident | 157 Ų | 157 | 61.5 Ų | 61.5 | 73% | 0.734 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -68.3 | -56 | 178.1 | -68.8 | 95.4 | -128.3 | 0 | 0 | 111.3 | R1635 L1667 | R1635-E1665 PolarHBondContact NH2-O 2.61Å; E1665-L1667 PolarHBondContact O-N 3.01Å |
| 1666 | N | 75.4 | Confident | 85 | Confident | 141 Ų | 141 | 59.3 Ų | 59.3 | 75% | 0.754 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -98.5 | 25.2 | -170.7 | -69.9 | -28.9 | 0 | 0 | 0 | 114.8 | Q1668 | N1666-Q1668 PolarHBondContact O-N 3.23Š|
| 1667 | L | 85.4 | Confident | 86.7 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | trans | -83.1 | 76.9 | -176.6 | -132.6 | 175.3 | 0 | 0 | 0 | 111.5 | V1636 V1663 E1665 I1686 L1688 Y1695 | V1636-L1667 HydrophobicContact CG2-CD2 4.16Å; V1663-L1667 HydrophobicContact CB-CD1 4.38Å; V1663-L1667 HydrophobicContact CG1-CD1 4.03Å; V1663-L1667 WeakPolarHBondContact O-CB 3.42Å; V1663-L1667 WeakPolarHBondContact O-CD1 3.43Å; E1665-L1667 PolarHBondContact O-N 3.01Å; L1667-I1686 HydrophobicContact CD1-CD1 3.68Å; L1667-I1686 HydrophobicContact CD2-CD1 4.32Å; L1667-I1686 HydrophobicContact CD2-CG2 4.1Å; L1667-L1688 HydrophobicContact CD2-CD1 3.88Å; L1667-L1688 HydrophobicContact CD2-CD2 3.38Å; L1667-L1688 HydrophobicContact CD2-CG 4.05Å; L1667-Y1695 HydrophobicContact CD1-CD2 4.44Å; L1667-Y1695 HydrophobicContact CD1-CE2 3.49Å; L1667-Y1695 VanDerWaalsContact CD1-CE2 3.49Å; L1667-Y1695 WeakPolarHBondContact CD1-OH 3.45Å | ||
| 1668 | Q | 89.3 | Confident | 87.8 | Confident | 76 Ų | 76 | 54.6 Ų | 54.6 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | trans | -108.8 | 158.3 | -179.6 | -45.2 | -165 | 29.5 | 0 | 0 | 111.6 | K1633 R1635 N1666 L1688 | K1633-Q1668 VanDerWaalsContact CD-OE1 3.28Å; R1635-Q1668 HydrophobicContact CG-CB 4.36Å; R1635-Q1668 HydrophobicContact CG-CG 4.01Å; N1666-Q1668 PolarHBondContact O-N 3.23Å; Q1668-L1688 WeakPolarHBondContact O-CD2 3.39Å | ||
| 1669 | G | 93.3 | Very high | 88.2 | Confident | 32 Ų | 32 | 54 Ų | 54 | 33% | 0.33 | 28% | 0.276 | S | S | . | . | trans | 70 | 32.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1633 | K1633-G1669 PolarHBondContact O-N 3.44Š| ||
| 1670 | A | 96.5 | Very high | 87.9 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.033 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 127.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | I1629 N1634 V1636 I1686 A1687 L1688 | I1629-A1670 HydrophobicContact CD1-CB 3.98Å; I1629-A1670 HydrophobicContact CG1-CB 3.99Å; N1634-A1670 PolarHBondContact O-N 3.41Å; N1634-A1670 VanDerWaalsContact O-N 3.11Å; V1636-A1670 HydrophobicContact CG2-CB 3.46Å; V1636-A1670 VanDerWaalsContact CG2-CB 3.46Å; A1670-I1686 HydrophobicContact CB-CG2 3.93Å; A1670-A1687 WeakPolarHBondContact CA-O 3.46Å; A1670-L1688 HydrophobicContact CB-CD2 3.94Å |
| 1671 | I | 95.4 | Very high | 87.7 | Confident | 77 Ų | 77 | 58.7 Ų | 58.7 | 40% | 0.395 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -47.4 | -178.1 | -61.4 | 175.9 | 0 | 0 | 0 | 109.9 | A1687 L1719 | I1671-A1687 PolarHBondContact N-O 3.08Å; I1671-L1719 WeakPolarHBondContact CG2-O 3.47Å |
| 1672 | H | 96.8 | Very high | 87.9 | Confident | 15 Ų | 15 | 57 Ų | 57 | 7% | 0.069 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 153.4 | -174.9 | -171.9 | -89.6 | 0 | 0 | 0 | 110.4 | R1616 A1687 L1720 V1721 | R1616-H1672 PolarHBondContact NH2-NE2 3.49Å; H1672-A1687 HydrophobicContact CB-CB 4.01Å; H1672-A1687 PolarHBondContact O-N 2.82Å; H1672-L1720 HydrophobicContact CB-CB 4.45Å; H1672-V1721 HydrophobicContact CB-CG2 4.42Å; H1672-V1721 PolarHBondContact CE1-O 3.11Å; H1672-V1721 WeakPolarHBondContact ND1-CG2 3.38Å; H1672-V1721 PolarHBondContact ND1-N 3.27Å; H1672-V1721 PolarHBondContact ND1-O 3.44Å |
| 1673 | F | 97.5 | Very high | 88.1 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 154.4 | 162.6 | 75.3 | -90.7 | 0 | 0 | 0 | 110.9 | R1616 A1618 V1627 I1629 I1675 L1684 V1685 I1686 | R1616-F1673 HydrophobicContact CB-CE1 4.09Å; R1616-F1673 HydrophobicContact CG-CE1 4.27Å; A1618-F1673 HydrophobicContact CB-CE2 3.8Å; A1618-F1673 HydrophobicContact CB-CZ 4.03Å; V1627-F1673 HydrophobicContact CB-CE2 4.16Å; V1627-F1673 HydrophobicContact CB-CZ 4.2Å; V1627-F1673 HydrophobicContact CG1-CD2 4.35Å; V1627-F1673 HydrophobicContact CG1-CE2 3.84Å; V1627-F1673 HydrophobicContact CG1-CZ 3.93Å; I1629-F1673 HydrophobicContact CD1-CD1 3.76Å; I1629-F1673 HydrophobicContact CD1-CE1 4.42Å; I1629-F1673 HydrophobicContact CG1-CD1 3.78Å; I1629-F1673 HydrophobicContact CG1-CE1 4.14Å; F1673-I1675 HydrophobicContact CD2-CG1 4.07Å; F1673-I1675 HydrophobicContact CE2-CD1 4.07Å; F1673-I1675 HydrophobicContact CE2-CG1 4.01Å; F1673-L1684 HydrophobicContact CB-CD1 3.86Å; F1673-L1684 HydrophobicContact CD2-CD1 3.44Å; F1673-L1684 VanDerWaalsContact CD2-CD1 3.44Å; F1673-L1684 HydrophobicContact CE2-CD1 4.27Å; F1673-L1684 HydrophobicContact CG-CD1 3.92Å; F1673-V1685 CarbonylContact C-O 3.6Å; F1673-V1685 WeakPolarHBondContact CA-O 3.3Å; F1673-V1685 WeakPolarHBondContact CB-O 3.25Å; F1673-I1686 HydrophobicContact CB-CG1 4.31Å |
| 1674 | K | 96.1 | Very high | 88.6 | Confident | 74 Ų | 74 | 54.7 Ų | 54.7 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 139.6 | 170.6 | -172.3 | 81.3 | -178.6 | -68 | 0 | 108.9 | V1676 V1685 V1721 D1722 | K1674-V1676 HydrophobicContact CG-CG2 3.77Å; K1674-V1685 PolarHBondContact N-O 3.2Å; K1674-V1685 PolarHBondContact O-N 2.72Å; K1674-V1721 WeakPolarHBondContact CB-O 3.28Å; K1674-D1722 WeakPolarHBondContact CG-OD1 3.38Å; K1674-D1722 IonicContact NZ-OD1 3.48Å; K1674-D1722 PolarHBondContact NZ-OD1 3.38Å; K1674-D1722 IonicContact NZ-OD2 3.22Å; K1674-D1722 PolarHBondContact NZ-OD2 3Å |
| 1675 | I | 95.4 | Very high | 89.4 | Confident | 35 Ų | 35 | 53.5 Ų | 53.5 | 18% | 0.179 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.6 | 169.7 | -57.3 | 180 | 0 | 0 | 0 | 107.7 | A1618 L1620 V1627 F1673 K1682 F1683 L1684 | A1618-I1675 HydrophobicContact CB-CD1 3.94Å; L1620-I1675 HydrophobicContact CD1-CD1 3.94Å; L1620-I1675 HydrophobicContact CD1-CG2 4.28Å; L1620-I1675 HydrophobicContact CD2-CG2 4.39Å; L1620-I1675 HydrophobicContact CG-CD1 4.27Å; V1627-I1675 HydrophobicContact CB-CD1 4.03Å; V1627-I1675 HydrophobicContact CG1-CD1 4.5Å; V1627-I1675 HydrophobicContact CG2-CD1 3.79Å; F1673-I1675 HydrophobicContact CD2-CG1 4.07Å; F1673-I1675 HydrophobicContact CE2-CD1 4.07Å; F1673-I1675 HydrophobicContact CE2-CG1 4.01Å; I1675-K1682 HydrophobicContact CG2-CB 4.48Å; I1675-F1683 CarbonylContact C-O 3.54Å; I1675-F1683 VanDerWaalsContact CA-O 3.26Å; I1675-F1683 WeakPolarHBondContact CA-O 3.46Å; I1675-L1684 HydrophobicContact CG1-CD1 3.93Å |
| 1676 | V | 92.2 | Very high | 90.5 | Very high | 23 Ų | 23 | 46 Ų | 46 | 14% | 0.139 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124.2 | 179.6 | 176.3 | 0 | 0 | 0 | 0 | 109.1 | K1674 F1683 L1723 | K1674-V1676 HydrophobicContact CG-CG2 3.77Å; V1676-F1683 PolarHBondContact N-O 2.9Å; V1676-F1683 PolarHBondContact O-N 3.11Å; V1676-L1723 HydrophobicContact CB-CB 4.08Å; V1676-L1723 HydrophobicContact CB-CD2 4.22Å; V1676-L1723 HydrophobicContact CG1-CB 4.34Å; V1676-L1723 HydrophobicContact CG1-CD2 4.31Å; V1676-L1723 HydrophobicContact CG2-CB 3.86Å |
| 1677 | K | 88.2 | Confident | 91.5 | Very high | 153 Ų | 153 | 39.3 Ų | 39.3 | 67% | 0.665 | 19% | 0.19 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.9 | 174.1 | 179.4 | -170.4 | 167.9 | -170 | 0 | 108.6 | E1679 I1681 | K1677-E1679 WeakPolarHBondContact CE-O 3.26Å; K1677-I1681 CarbonylContact C-O 3.56Å; K1677-I1681 WeakPolarHBondContact CA-O 3.4Å |
| 1678 | Y | 82.4 | Confident | 92 | Very high | 60 Ų | 60 | 39.7 Ų | 39.7 | 24% | 0.235 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 118.2 | 167.7 | -180 | -113.4 | 0 | 0 | 0 | 109.1 | K1680 I1681 V1725 L1731 | Y1678-K1680 PolarHBondContact O-N 2.89Å; Y1678-I1681 PolarHBondContact N-O 2.82Å; Y1678-I1681 PolarHBondContact O-N 3.14Å; Y1678-I1681 VanDerWaalsContact O-O 3.08Å; Y1678-V1725 HydrophobicContact CD2-CB 4.02Å; Y1678-V1725 HydrophobicContact CD2-CG1 3.7Å; Y1678-V1725 HydrophobicContact CD2-CG2 3.83Å; Y1678-V1725 HydrophobicContact CE2-CB 4.19Å; Y1678-V1725 HydrophobicContact CE2-CG1 3.45Å; Y1678-V1725 VanDerWaalsContact CE2-CG1 3.45Å; Y1678-V1725 HydrophobicContact CE2-CG2 4.46Å; Y1678-V1725 HydrophobicContact CG-CG1 4.37Å; Y1678-V1725 HydrophobicContact CG-CG2 4.16Å; Y1678-L1731 HydrophobicContact CD1-CD2 4.48Å |
| 1679 | E | 80.6 | Confident | 92.1 | Very high | 97 Ų | 97 | 44.1 Ų | 44.1 | 45% | 0.453 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | -107.9 | -171.8 | -59.4 | 172.5 | -162.3 | 0 | 0 | 112.9 | R242 K1677 | R242-E1679 IonicContact CZ-OE1 2.8Å; R242-E1679 IonicContact CZ-OE2 3.5Å; R242-E1679 IonicContact NH1-OE1 3.64Å; R242-E1679 PolarHBondContact NH1-OE1 3.24Å; R242-E1679 IonicContact NH1-OE2 3.13Å; R242-E1679 PolarHBondContact NH1-OE2 3.18Å; R242-E1679 IonicContact NH2-OE1 3.99Å; R242-E1679 PolarHBondContact NH2-OE1 3.12Å; R242-E1679 IonicContact NH2-OE2 4Å; R242-E1679 PolarHBondContact NH2-OE2 3.07Å; K1677-E1679 WeakPolarHBondContact CE-O 3.26Å |
| 1680 | K | 77.1 | Confident | 92 | Very high | 122 Ų | 122 | 46.1 Ų | 46.1 | 53% | 0.53 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -14 | 177.9 | -62.1 | -166.1 | 177.7 | -158.6 | 0 | 113.5 | H196 Y1678 | H196-K1680 PolarHBondContact NE2-NZ 3.26Å; Y1678-K1680 PolarHBondContact O-N 2.89Å |
| 1681 | I | 83.2 | Confident | 91.9 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 149.6 | -179.9 | -66.9 | -160.4 | 0 | 0 | 0 | 111.4 | F238 K1677 Y1678 F1683 A1696 | F238-I1681 HydrophobicContact CB-CD1 4.38Å; F238-I1681 HydrophobicContact CD2-CD1 3.36Å; F238-I1681 HydrophobicContact CD2-CG1 4.34Å; F238-I1681 HydrophobicContact CE2-CD1 3.87Å; F238-I1681 HydrophobicContact CE2-CG1 4.47Å; F238-I1681 HydrophobicContact CG-CD1 4.2Å; K1677-I1681 CarbonylContact C-O 3.56Å; K1677-I1681 WeakPolarHBondContact CA-O 3.4Å; Y1678-I1681 PolarHBondContact N-O 2.82Å; Y1678-I1681 PolarHBondContact O-N 3.14Å; Y1678-I1681 VanDerWaalsContact O-O 3.08Å; I1681-F1683 HydrophobicContact CB-CE2 4.31Å; I1681-F1683 HydrophobicContact CG2-CD1 4.48Å; I1681-F1683 HydrophobicContact CG2-CD2 4.01Å; I1681-F1683 HydrophobicContact CG2-CE1 4.21Å; I1681-F1683 HydrophobicContact CG2-CE2 3.7Å; I1681-F1683 HydrophobicContact CG2-CG 4.39Å; I1681-F1683 HydrophobicContact CG2-CZ 3.81Å; I1681-A1696 HydrophobicContact CG2-CB 4.18Å |
| 1682 | K | 91.4 | Very high | 92 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 10% | 0.1 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 111.3 | 174.6 | -53 | 176.4 | -168.9 | 78.3 | 0 | 107.1 | E198 L1620 I1675 W1697 | E198-K1682 IonicContact OE2-NZ 3.42Å; L1620-K1682 HydrophobicContact CD1-CD 4.35Å; L1620-K1682 HydrophobicContact CD2-CD 4.38Å; I1675-K1682 HydrophobicContact CG2-CB 4.48Å; K1682-W1697 HydrophobicContact CB-CB 3.96Å; K1682-W1697 WeakPolarHBondContact O-CB 3.24Å; K1682-W1697 PolarHBondContact O-N 2.71Å |
| 1683 | F | 93.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 140.2 | 173.2 | -67.5 | -81.9 | 0 | 0 | 0 | 109.4 | I1675 V1676 I1681 I1694 Y1695 A1696 F1708 L1723 L1731 | I1675-F1683 CarbonylContact C-O 3.54Å; I1675-F1683 VanDerWaalsContact CA-O 3.26Å; I1675-F1683 WeakPolarHBondContact CA-O 3.46Å; V1676-F1683 PolarHBondContact N-O 2.9Å; V1676-F1683 PolarHBondContact O-N 3.11Å; I1681-F1683 HydrophobicContact CB-CE2 4.31Å; I1681-F1683 HydrophobicContact CG2-CD1 4.48Å; I1681-F1683 HydrophobicContact CG2-CD2 4.01Å; I1681-F1683 HydrophobicContact CG2-CE1 4.21Å; I1681-F1683 HydrophobicContact CG2-CE2 3.7Å; I1681-F1683 HydrophobicContact CG2-CG 4.39Å; I1681-F1683 HydrophobicContact CG2-CZ 3.81Å; F1683-I1694 HydrophobicContact CD1-CG2 4.06Å; F1683-Y1695 CarbonylContact C-O 3.56Å; F1683-Y1695 WeakPolarHBondContact CA-O 3.23Å; F1683-A1696 HydrophobicContact CD1-CB 4.13Å; F1683-A1696 HydrophobicContact CE1-CB 4.07Å; F1683-F1708 HydrophobicContact CE1-CD1 4.23Å; F1683-F1708 HydrophobicContact CE1-CD2 4.26Å; F1683-F1708 HydrophobicContact CE1-CE1 4.21Å; F1683-F1708 HydrophobicContact CE1-CE2 4.23Å; F1683-F1708 HydrophobicContact CE1-CG 4.25Å; F1683-F1708 HydrophobicContact CE1-CZ 4.21Å; F1683-L1723 HydrophobicContact CB-CD2 3.74Å; F1683-L1723 HydrophobicContact CD2-CD2 3.96Å; F1683-L1723 HydrophobicContact CG-CD2 3.91Å; F1683-L1731 HydrophobicContact CZ-CD1 4.31Å |
| 1684 | L | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 106.2 | 170.8 | 166.3 | 61.8 | 0 | 0 | 0 | 106.5 | V1627 V1636 V1663 F1673 I1675 I1686 I1694 Y1695 F1705 | V1627-L1684 HydrophobicContact CG1-CD1 4.24Å; V1627-L1684 HydrophobicContact CG1-CD2 4.14Å; V1636-L1684 HydrophobicContact CG1-CD2 4.48Å; V1663-L1684 HydrophobicContact CG1-CD2 4.16Å; V1663-L1684 HydrophobicContact CG2-CD2 4.07Å; F1673-L1684 HydrophobicContact CB-CD1 3.86Å; F1673-L1684 HydrophobicContact CD2-CD1 3.44Å; F1673-L1684 VanDerWaalsContact CD2-CD1 3.44Å; F1673-L1684 HydrophobicContact CE2-CD1 4.27Å; F1673-L1684 HydrophobicContact CG-CD1 3.92Å; I1675-L1684 HydrophobicContact CG1-CD1 3.93Å; L1684-I1686 HydrophobicContact CD1-CG1 4.13Å; L1684-I1686 HydrophobicContact CD2-CD1 4.23Å; L1684-I1686 HydrophobicContact CG-CD1 4.12Å; L1684-I1686 HydrophobicContact CG-CG1 3.94Å; L1684-I1694 WeakPolarHBondContact O-CA 3.18Å; L1684-Y1695 PolarHBondContact N-O 3.12Å; L1684-Y1695 PolarHBondContact O-N 2.79Å; L1684-F1705 HydrophobicContact CB-CD1 3.64Å; L1684-F1705 HydrophobicContact CB-CE1 3.5Å; L1684-F1705 HydrophobicContact CB-CG 4.34Å; L1684-F1705 HydrophobicContact CB-CZ 4.09Å; L1684-F1705 HydrophobicContact CD2-CB 4.36Å; L1684-F1705 HydrophobicContact CD2-CD1 4.01Å; L1684-F1705 HydrophobicContact CD2-CD2 3.96Å; L1684-F1705 HydrophobicContact CD2-CE1 4.31Å; L1684-F1705 HydrophobicContact CD2-CE2 4.26Å; L1684-F1705 HydrophobicContact CD2-CG 3.83Å; L1684-F1705 HydrophobicContact CD2-CZ 4.43Å; L1684-F1705 HydrophobicContact CG-CD1 4.49Å |
| 1685 | V | 97 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.7 | 175.6 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | F1673 K1674 V1692 I1694 V1721 L1723 V1733 | F1673-V1685 CarbonylContact C-O 3.6Å; F1673-V1685 WeakPolarHBondContact CA-O 3.3Å; F1673-V1685 WeakPolarHBondContact CB-O 3.25Å; K1674-V1685 PolarHBondContact N-O 3.2Å; K1674-V1685 PolarHBondContact O-N 2.72Å; V1685-V1692 HydrophobicContact CG1-CG1 3.73Å; V1685-I1694 HydrophobicContact CG1-CG1 4.27Å; V1685-I1694 HydrophobicContact CG2-CG1 4.19Å; V1685-I1694 HydrophobicContact CG2-CG2 4.26Å; V1685-V1721 HydrophobicContact CG1-CB 3.9Å; V1685-V1721 HydrophobicContact CG1-CG1 4.21Å; V1685-V1721 HydrophobicContact CG1-CG2 4.06Å; V1685-L1723 HydrophobicContact CG2-CB 3.98Å; V1685-L1723 HydrophobicContact CG2-CD1 4.42Å; V1685-L1723 HydrophobicContact CG2-CD2 4.38Å; V1685-V1733 HydrophobicContact CG1-CG1 4.17Å; V1685-V1733 HydrophobicContact CG1-CG2 4.13Å; V1685-V1733 HydrophobicContact CG2-CG2 4.48Å |
| 1686 | I | 97.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.3 | -171.4 | -54 | 166.9 | 0 | 0 | 0 | 108.5 | V1636 V1663 L1667 A1670 F1673 L1684 L1688 V1692 E1693 Y1695 | V1636-I1686 HydrophobicContact CG1-CD1 4.33Å; V1636-I1686 HydrophobicContact CG2-CD1 4.2Å; V1636-I1686 HydrophobicContact CG2-CG2 3.99Å; V1663-I1686 HydrophobicContact CG1-CD1 4.22Å; L1667-I1686 HydrophobicContact CD1-CD1 3.68Å; L1667-I1686 HydrophobicContact CD2-CD1 4.32Å; L1667-I1686 HydrophobicContact CD2-CG2 4.1Å; A1670-I1686 HydrophobicContact CB-CG2 3.93Å; F1673-I1686 HydrophobicContact CB-CG1 4.31Å; L1684-I1686 HydrophobicContact CD1-CG1 4.13Å; L1684-I1686 HydrophobicContact CD2-CD1 4.23Å; L1684-I1686 HydrophobicContact CG-CD1 4.12Å; L1684-I1686 HydrophobicContact CG-CG1 3.94Å; I1686-L1688 HydrophobicContact CG2-CD2 4.24Å; I1686-L1688 HydrophobicContact CG2-CG 4.33Å; I1686-V1692 WeakPolarHBondContact O-CA 3.45Å; I1686-E1693 PolarHBondContact N-O 2.69Å; I1686-E1693 PolarHBondContact O-N 2.88Å; I1686-Y1695 HydrophobicContact CD1-CD2 3.74Å; I1686-Y1695 HydrophobicContact CD1-CE2 3.94Å |
| 1687 | A | 97.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 120.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | A1670 I1671 H1672 P1718 V1721 | A1670-A1687 WeakPolarHBondContact CA-O 3.46Å; I1671-A1687 PolarHBondContact N-O 3.08Å; H1672-A1687 HydrophobicContact CB-CB 4.01Å; H1672-A1687 PolarHBondContact O-N 2.82Å; A1687-P1718 HydrophobicContact CB-CB 4.07Å; A1687-P1718 HydrophobicContact CB-CG 4.16Å; A1687-V1721 HydrophobicContact CB-CB 4.49Å; A1687-V1721 HydrophobicContact CB-CG1 3.84Å; A1687-V1721 HydrophobicContact CB-CG2 3.95Å |
| 1688 | L | 95.4 | Very high | 90.9 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 7% | 0.068 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 160.4 | 166.6 | -61 | 167.2 | 0 | 0 | 0 | 108.5 | L1667 Q1668 A1670 I1686 D1690 S1691 E1693 P1718 | L1667-L1688 HydrophobicContact CD2-CD1 3.88Å; L1667-L1688 HydrophobicContact CD2-CD2 3.38Å; L1667-L1688 HydrophobicContact CD2-CG 4.05Å; Q1668-L1688 WeakPolarHBondContact O-CD2 3.39Å; A1670-L1688 HydrophobicContact CB-CD2 3.94Å; I1686-L1688 HydrophobicContact CG2-CD2 4.24Å; I1686-L1688 HydrophobicContact CG2-CG 4.33Å; L1688-D1690 PolarHBondContact O-N 3.07Å; L1688-S1691 WeakPolarHBondContact CA-O 3.49Å; L1688-S1691 WeakPolarHBondContact CB-O 3.23Å; L1688-S1691 PolarHBondContact N-O 2.79Å; L1688-S1691 PolarHBondContact O-N 2.94Å; L1688-S1691 VanDerWaalsContact O-O 3.05Å; L1688-E1693 HydrophobicContact CD1-CG 3.95Å; L1688-P1718 VanDerWaalsContact O-CG 3.26Å; L1688-P1718 WeakPolarHBondContact O-CG 3.46Å |
| 1689 | R | 91.2 | Very high | 90.4 | Very high | 168 Ų | 168 | 28.7 Ų | 28.7 | 63% | 0.634 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -40.3 | -42.1 | -176.7 | -168.6 | -173.5 | -178.8 | 156.5 | 2.6 | 115.1 | R1717 | R1689-R1717 WeakPolarHBondContact O-CB 3.42Š|
| 1690 | D | 91.5 | Very high | 89.2 | Confident | 74 Ų | 74 | 31.3 Ų | 31.3 | 40% | 0.396 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | 17.4 | -174.1 | -63.7 | -60.4 | 0 | 0 | 0 | 113 | L1688 R1717 | L1688-D1690 PolarHBondContact O-N 3.07Å; D1690-R1717 WeakPolarHBondContact OD1-CD 3.43Å; D1690-R1717 WeakPolarHBondContact OD1-CG 3.37Å; D1690-R1717 IonicContact OD1-CZ 2.67Å; D1690-R1717 IonicContact OD1-NE 2.77Å; D1690-R1717 PolarHBondContact OD1-NE 3.34Å; D1690-R1717 IonicContact OD1-NH1 3.98Å; D1690-R1717 PolarHBondContact OD1-NH1 2.79Å; D1690-R1717 IonicContact OD1-NH2 3.72Å; D1690-R1717 IonicContact OD2-CZ 3.68Å; D1690-R1717 IonicContact OD2-NH1 3.63Å; D1690-R1717 PolarHBondContact OD2-NH1 3.07Å |
| 1691 | S | 94.8 | Very high | 87.7 | Confident | 8 Ų | 8 | 26 Ų | 26 | 6% | 0.056 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 160.7 | 179.4 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | L1688 F1711 | L1688-S1691 WeakPolarHBondContact CA-O 3.49Å; L1688-S1691 WeakPolarHBondContact CB-O 3.23Å; L1688-S1691 PolarHBondContact N-O 2.79Å; L1688-S1691 PolarHBondContact O-N 2.94Å; L1688-S1691 VanDerWaalsContact O-O 3.05Å; S1691-F1711 CarbonylContact C-O 3.49Å; S1691-F1711 WeakPolarHBondContact CA-O 3.43Å; S1691-F1711 WeakPolarHBondContact CB-O 3.44Å |
| 1692 | V | 96.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.8 | 167.7 | 171.4 | 0 | 0 | 0 | 0 | 109.4 | V1685 I1686 I1694 R1710 F1711 L1714 P1718 V1721 V1733 I1744 | V1685-V1692 HydrophobicContact CG1-CG1 3.73Å; I1686-V1692 WeakPolarHBondContact O-CA 3.45Å; V1692-I1694 HydrophobicContact CG1-CG1 4.41Å; V1692-R1710 CarbonylContact O-C 3.49Å; V1692-R1710 WeakPolarHBondContact O-CA 3.5Å; V1692-F1711 PolarHBondContact N-O 2.97Å; V1692-F1711 PolarHBondContact O-N 3.01Å; V1692-L1714 HydrophobicContact CB-CD1 4.43Å; V1692-L1714 HydrophobicContact CG2-CD1 3.91Å; V1692-P1718 HydrophobicContact CG2-CB 4.2Å; V1692-P1718 HydrophobicContact CG2-CG 4.08Å; V1692-V1721 HydrophobicContact CG1-CG1 4.4Å; V1692-V1721 HydrophobicContact CG2-CG1 3.78Å; V1692-V1733 HydrophobicContact CG1-CG1 4.29Å; V1692-I1744 HydrophobicContact CB-CD1 4.48Å |
| 1693 | E | 94.8 | Very high | 86.1 | Confident | 16 Ų | 16 | 25.8 Ų | 25.8 | 8% | 0.075 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 147.8 | 170.9 | -68.6 | -167.9 | -176.1 | 0 | 0 | 111.5 | I1686 L1688 Y1695 R1710 | I1686-E1693 PolarHBondContact N-O 2.69Å; I1686-E1693 PolarHBondContact O-N 2.88Å; L1688-E1693 HydrophobicContact CD1-CG 3.95Å; E1693-Y1695 HydrophobicContact CB-CD2 4.47Å; E1693-Y1695 HydrophobicContact CB-CE2 3.83Å; E1693-Y1695 VanDerWaalsContact OE2-CE2 3.31Å; E1693-Y1695 WeakPolarHBondContact OE2-CE2 3.22Å; E1693-Y1695 PolarHBondContact OE2-OH 3.34Å; E1693-R1710 HydrophobicContact CG-CB 4.03Å; E1693-R1710 HydrophobicContact CG-CG 3.75Å; E1693-R1710 WeakPolarHBondContact OE1-CD 3.5Å; E1693-R1710 IonicContact OE1-CZ 3.59Å; E1693-R1710 IonicContact OE1-NE 3.43Å; E1693-R1710 PolarHBondContact OE1-NE 2.74Å; E1693-R1710 IonicContact OE1-NH1 3.92Å; E1693-R1710 PolarHBondContact OE1-NH1 2.88Å |
| 1694 | I | 94.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.4 | -178 | -53.9 | 177.5 | 0 | 0 | 0 | 108.1 | F1683 L1684 V1685 V1692 F1708 K1709 F1711 V1733 L1746 | F1683-I1694 HydrophobicContact CD1-CG2 4.06Å; L1684-I1694 WeakPolarHBondContact O-CA 3.18Å; V1685-I1694 HydrophobicContact CG1-CG1 4.27Å; V1685-I1694 HydrophobicContact CG2-CG1 4.19Å; V1685-I1694 HydrophobicContact CG2-CG2 4.26Å; V1692-I1694 HydrophobicContact CG1-CG1 4.41Å; I1694-F1708 HydrophobicContact CB-CD1 4.44Å; I1694-F1708 HydrophobicContact CG2-CB 4.22Å; I1694-F1708 HydrophobicContact CG2-CD1 3.93Å; I1694-F1708 HydrophobicContact CG2-CG 4.46Å; I1694-F1708 WeakPolarHBondContact O-CA 3.48Å; I1694-F1708 WeakPolarHBondContact O-CB 3.42Å; I1694-F1708 PolarHBondContact O-N 3.38Å; I1694-K1709 HydrophobicContact CB-CB 4.46Å; I1694-K1709 HydrophobicContact CD1-CB 4.48Å; I1694-K1709 PolarHBondContact N-O 2.9Å; I1694-K1709 PolarHBondContact O-N 3.19Å; I1694-K1709 VanDerWaalsContact O-N 3.11Å; I1694-F1711 HydrophobicContact CD1-CE2 4.19Å; I1694-V1733 HydrophobicContact CD1-CG2 3.6Å; I1694-V1733 HydrophobicContact CG1-CG2 4.41Å; I1694-L1746 HydrophobicContact CD1-CD1 4.08Å; I1694-L1746 HydrophobicContact CD1-CD2 3.3Å; I1694-L1746 HydrophobicContact CD1-CG 4.33Å |
| 1695 | Y | 93.8 | Very high | 85.4 | Confident | 21 Ų | 21 | 31.1 Ų | 31.1 | 8% | 0.082 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 148.3 | 174 | -69.1 | -107.4 | 0 | 0 | 0 | 109.1 | V1663 L1667 F1683 L1684 I1686 E1693 F1705 M1706 A1707 | V1663-Y1695 HydrophobicContact CG1-CD1 3.52Å; V1663-Y1695 HydrophobicContact CG1-CD2 3.95Å; V1663-Y1695 HydrophobicContact CG1-CE1 3.71Å; V1663-Y1695 HydrophobicContact CG1-CE2 4.12Å; V1663-Y1695 HydrophobicContact CG1-CG 3.71Å; L1667-Y1695 HydrophobicContact CD1-CD2 4.44Å; L1667-Y1695 HydrophobicContact CD1-CE2 3.49Å; L1667-Y1695 VanDerWaalsContact CD1-CE2 3.49Å; L1667-Y1695 WeakPolarHBondContact CD1-OH 3.45Å; F1683-Y1695 CarbonylContact C-O 3.56Å; F1683-Y1695 WeakPolarHBondContact CA-O 3.23Å; L1684-Y1695 PolarHBondContact N-O 3.12Å; L1684-Y1695 PolarHBondContact O-N 2.79Å; I1686-Y1695 HydrophobicContact CD1-CD2 3.74Å; I1686-Y1695 HydrophobicContact CD1-CE2 3.94Å; E1693-Y1695 HydrophobicContact CB-CD2 4.47Å; E1693-Y1695 HydrophobicContact CB-CE2 3.83Å; E1693-Y1695 VanDerWaalsContact OE2-CE2 3.31Å; E1693-Y1695 WeakPolarHBondContact OE2-CE2 3.22Å; E1693-Y1695 PolarHBondContact OE2-OH 3.34Å; Y1695-F1705 HydrophobicContact CD1-CB 4.41Å; Y1695-M1706 CarbonylContact C-O 3.51Å; Y1695-M1706 VanDerWaalsContact CA-O 3.25Å; Y1695-M1706 WeakPolarHBondContact CA-O 3.12Å; Y1695-A1707 HydrophobicContact CD1-CB 4.28Å; Y1695-A1707 VanDerWaalsContact CD1-N 3.35Å; Y1695-A1707 HydrophobicContact CE1-CB 3.84Å |
| 1696 | A | 92.1 | Very high | 84.9 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | M234 I1681 F1683 A1698 M1706 F1708 | M234-A1696 HydrophobicContact CE-CB 3.6Å; I1681-A1696 HydrophobicContact CG2-CB 4.18Å; F1683-A1696 HydrophobicContact CD1-CB 4.13Å; F1683-A1696 HydrophobicContact CE1-CB 4.07Å; A1696-A1698 PolarHBondContact O-N 3.26Å; A1696-M1706 PolarHBondContact N-O 3.33Å; A1696-M1706 PolarHBondContact O-N 3.21Å; A1696-F1708 HydrophobicContact CB-CB 4.41Å; A1696-F1708 HydrophobicContact CB-CD2 4.46Å |
| 1697 | W | 90.4 | Very high | 84.4 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 115 | 171.4 | 179.7 | -107 | 0 | 0 | 0 | 109.9 | E198 Q1623 I1625 K1682 H1703 F1705 | E198-W1697 PolarHBondContact OE1-NE1 3.14Å; E198-W1697 VanDerWaalsContact OE1-NE1 3.13Å; Q1623-W1697 HydrophobicContact CB-CH2 4.38Å; Q1623-W1697 HydrophobicContact CB-CZ2 3.97Å; Q1623-W1697 HydrophobicContact CG-CD2 4.07Å; Q1623-W1697 HydrophobicContact CG-CG 4.49Å; Q1623-W1697 HydrophobicContact CG-CH2 4.33Å; Q1623-W1697 HydrophobicContact CG-CZ2 3.53Å; I1625-W1697 HydrophobicContact CD1-CE3 3.97Å; I1625-W1697 HydrophobicContact CD1-CH2 3.75Å; I1625-W1697 HydrophobicContact CD1-CZ3 3.42Å; I1625-W1697 VanDerWaalsContact CD1-CZ3 3.42Å; I1625-W1697 HydrophobicContact CG2-CH2 4.48Å; K1682-W1697 HydrophobicContact CB-CB 3.96Å; K1682-W1697 WeakPolarHBondContact O-CB 3.24Å; K1682-W1697 PolarHBondContact O-N 2.71Å; W1697-H1703 AromaticContact CH2-CE1 3.85Å; W1697-H1703 AromaticContact CH2-ND1 3.59Å; W1697-H1703 WeakPolarHBondContact CH2-O 3.5Å; W1697-H1703 AromaticContact CZ2-CD2 3.99Å; W1697-H1703 AromaticContact CZ2-CE1 3.92Å; W1697-H1703 AromaticContact CZ2-CG 3.88Å; W1697-H1703 AromaticContact CZ2-ND1 3.84Å; W1697-F1705 HydrophobicContact CB-CD1 4.31Å; W1697-F1705 HydrophobicContact CB-CE1 3.91Å; W1697-F1705 HydrophobicContact CB-CZ 4.38Å; W1697-F1705 HydrophobicContact CE3-CD1 4.41Å; W1697-F1705 AromaticContact CE3-CD2 3.86Å; W1697-F1705 HydrophobicContact CE3-CD2 3.86Å; W1697-F1705 HydrophobicContact CE3-CE1 4.35Å; W1697-F1705 AromaticContact CE3-CE2 3.8Å; W1697-F1705 HydrophobicContact CE3-CE2 3.8Å; W1697-F1705 HydrophobicContact CE3-CG 4.18Å; W1697-F1705 HydrophobicContact CE3-CZ 4.06Å; W1697-F1705 HydrophobicContact CZ3-CD2 4.17Å; W1697-F1705 HydrophobicContact CZ3-CE2 4.23Å |
| 1698 | A | 78.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 125.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109 | M234 A1696 Y1702 H1703 K1704 M1706 | M234-A1698 HydrophobicContact CE-CB 3.83Å; M234-A1698 HydrophobicContact SD-CB 3.63Å; A1696-A1698 PolarHBondContact O-N 3.26Å; A1698-Y1702 HydrophobicContact CB-CD2 4.18Å; A1698-Y1702 HydrophobicContact CB-CG 4.22Å; A1698-H1703 VanDerWaalsContact O-CA 3.23Å; A1698-H1703 WeakPolarHBondContact O-CA 3.38Å; A1698-H1703 PolarHBondContact O-N 3.34Å; A1698-K1704 WeakPolarHBondContact CB-O 3.35Å; A1698-K1704 PolarHBondContact N-O 3Å; A1698-K1704 PolarHBondContact O-N 2.95Å; A1698-M1706 HydrophobicContact CB-CB 4.5Å; A1698-M1706 HydrophobicContact CB-CG 4.01Å; A1698-M1706 HydrophobicContact CB-SD 3.73Å |
| 1699 | P | 71.8 | Confident | 83.5 | Confident | 28 Ų | 28 | 37.7 Ų | 37.7 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | trans | -67.2 | -176.7 | 173.8 | 30.9 | -35.6 | 0 | 0 | 0 | 111 | I195 Y1702 H1703 | I195-P1699 HydrophobicContact CG2-CG 4.43Å; I195-P1699 WeakPolarHBondContact O-CG 3.19Å; P1699-Y1702 PolarHBondContact O-N 3.17Å; P1699-H1703 PolarHBondContact O-N 2.87Å | ||
| 1700 | R | 55.5 | Low | 83.5 | Confident | 151 Ų | 151 | 36.7 Ų | 36.7 | 57% | 0.57 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 144.3 | 171.6 | -73.6 | -170.5 | 176.2 | 123.1 | 11.8 | 110.6 | N181 H1703 | N181-R1700 PolarHBondContact OD1-NE 3.36Å; R1700-H1703 HydrophobicContact CG-CB 4.11Å |
| 1701 | P | 46.4 | Very low | 83.6 | Confident | 11 Ų | 11 | 34 Ų | 34 | 7% | 0.071 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -75.1 | -23.5 | 8 | 29.7 | -35.3 | 0 | 0 | 0 | 115 | N181 | N181-P1701 PolarHBondContact ND2-O 2.82Š|
| 1702 | Y | 64.4 | Low | 83.3 | Confident | 19 Ų | 19 | 36.9 Ų | 36.9 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -43.8 | -172 | -54.2 | -71.2 | 0 | 0 | 0 | 114.3 | F183 G185 L237 A1698 P1699 K1704 M1706 | F183-Y1702 HydrophobicContact CD2-CD1 4.16Å; F183-Y1702 AromaticContact CD2-CE1 3.86Å; F183-Y1702 HydrophobicContact CD2-CE1 3.86Å; F183-Y1702 AromaticContact CE2-CE1 3.98Å; F183-Y1702 HydrophobicContact CE2-CE1 3.98Å; G185-Y1702 PolarHBondContact O-OH 3.21Å; L237-Y1702 HydrophobicContact CD1-CD2 4.22Å; L237-Y1702 HydrophobicContact CD1-CE2 3.66Å; A1698-Y1702 HydrophobicContact CB-CD2 4.18Å; A1698-Y1702 HydrophobicContact CB-CG 4.22Å; P1699-Y1702 PolarHBondContact O-N 3.17Å; Y1702-K1704 PolarHBondContact O-N 3.06Å; Y1702-M1706 HydrophobicContact CD1-SD 4.05Å; Y1702-M1706 HydrophobicContact CD2-SD 4.44Å; Y1702-M1706 HydrophobicContact CG-SD 3.92Å |
| 1703 | H | 76.5 | Confident | 82.8 | Confident | 19 Ų | 19 | 45.2 Ų | 45.2 | 9% | 0.088 | 21% | 0.212 | C | C | . | . | trans | 45.7 | 41 | 175.5 | -162.4 | -79.1 | 0 | 0 | 0 | 114 | Q1623 W1697 A1698 P1699 R1700 | Q1623-H1703 PolarHBondContact O-CE1 2.99Å; W1697-H1703 AromaticContact CH2-CE1 3.85Å; W1697-H1703 AromaticContact CH2-ND1 3.59Å; W1697-H1703 WeakPolarHBondContact CH2-O 3.5Å; W1697-H1703 AromaticContact CZ2-CD2 3.99Å; W1697-H1703 AromaticContact CZ2-CE1 3.92Å; W1697-H1703 AromaticContact CZ2-CG 3.88Å; W1697-H1703 AromaticContact CZ2-ND1 3.84Å; A1698-H1703 VanDerWaalsContact O-CA 3.23Å; A1698-H1703 WeakPolarHBondContact O-CA 3.38Å; A1698-H1703 PolarHBondContact O-N 3.34Å; P1699-H1703 PolarHBondContact O-N 2.87Å; R1700-H1703 HydrophobicContact CG-CB 4.11Å | ||
| 1704 | K | 85.4 | Confident | 82.7 | Confident | 102 Ų | 102 | 45.7 Ų | 45.7 | 44% | 0.443 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 159.1 | -177 | 72.7 | -179 | -175.7 | 174.4 | 0 | 111.4 | A1698 Y1702 M1706 | A1698-K1704 WeakPolarHBondContact CB-O 3.35Å; A1698-K1704 PolarHBondContact N-O 3Å; A1698-K1704 PolarHBondContact O-N 2.95Å; Y1702-K1704 PolarHBondContact O-N 3.06Å; K1704-M1706 HydrophobicContact CD-CG 4.39Å; K1704-M1706 HydrophobicContact CG-CG 3.79Å; K1704-M1706 PolarHBondContact O-N 3.09Å |
| 1705 | F | 89.5 | Confident | 82.5 | Confident | 13 Ų | 13 | 51.9 Ų | 51.9 | 6% | 0.057 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 121.8 | 164.4 | -79.1 | -73.9 | 0 | 0 | 0 | 109.1 | L1620 I1625 V1627 V1638 V1663 L1684 Y1695 W1697 | L1620-F1705 HydrophobicContact CD1-CE2 4.44Å; L1620-F1705 HydrophobicContact CD1-CZ 4.07Å; I1625-F1705 HydrophobicContact CD1-CE2 3.9Å; V1627-F1705 HydrophobicContact CG2-CD2 4.45Å; V1627-F1705 HydrophobicContact CG2-CE2 3.7Å; V1627-F1705 HydrophobicContact CG2-CZ 4.46Å; V1638-F1705 HydrophobicContact CG2-CD2 4.1Å; V1663-F1705 HydrophobicContact CG1-CB 4.17Å; V1663-F1705 HydrophobicContact CG2-CB 4.4Å; L1684-F1705 HydrophobicContact CB-CD1 3.64Å; L1684-F1705 HydrophobicContact CB-CE1 3.5Å; L1684-F1705 HydrophobicContact CB-CG 4.34Å; L1684-F1705 HydrophobicContact CB-CZ 4.09Å; L1684-F1705 HydrophobicContact CD2-CB 4.36Å; L1684-F1705 HydrophobicContact CD2-CD1 4.01Å; L1684-F1705 HydrophobicContact CD2-CD2 3.96Å; L1684-F1705 HydrophobicContact CD2-CE1 4.31Å; L1684-F1705 HydrophobicContact CD2-CE2 4.26Å; L1684-F1705 HydrophobicContact CD2-CG 3.83Å; L1684-F1705 HydrophobicContact CD2-CZ 4.43Å; L1684-F1705 HydrophobicContact CG-CD1 4.49Å; Y1695-F1705 HydrophobicContact CD1-CB 4.41Å; W1697-F1705 HydrophobicContact CB-CD1 4.31Å; W1697-F1705 HydrophobicContact CB-CE1 3.91Å; W1697-F1705 HydrophobicContact CB-CZ 4.38Å; W1697-F1705 HydrophobicContact CE3-CD1 4.41Å; W1697-F1705 AromaticContact CE3-CD2 3.86Å; W1697-F1705 HydrophobicContact CE3-CD2 3.86Å; W1697-F1705 HydrophobicContact CE3-CE1 4.35Å; W1697-F1705 AromaticContact CE3-CE2 3.8Å; W1697-F1705 HydrophobicContact CE3-CE2 3.8Å; W1697-F1705 HydrophobicContact CE3-CG 4.18Å; W1697-F1705 HydrophobicContact CE3-CZ 4.06Å; W1697-F1705 HydrophobicContact CZ3-CD2 4.17Å; W1697-F1705 HydrophobicContact CZ3-CE2 4.23Å |
| 1706 | M | 86.6 | Confident | 82.5 | Confident | 23 Ų | 23 | 53 Ų | 53 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 144.6 | 177.7 | -73.6 | -174.9 | 64.9 | 0 | 0 | 109.9 | M234 Y1695 A1696 A1698 Y1702 K1704 | M234-M1706 HydrophobicContact CE-CB 4.46Å; M234-M1706 HydrophobicContact CG-CB 3.34Å; M234-M1706 HydrophobicContact CG-CE 4.11Å; M234-M1706 HydrophobicContact CG-CG 4.3Å; M234-M1706 HydrophobicContact CG-SD 4.18Å; M234-M1706 HydrophobicContact SD-CB 3.74Å; M234-M1706 HydrophobicContact SD-CE 4.35Å; M234-M1706 HydrophobicContact SD-CG 4.23Å; M234-M1706 HydrophobicContact SD-SD 3.76Å; Y1695-M1706 CarbonylContact C-O 3.51Å; Y1695-M1706 VanDerWaalsContact CA-O 3.25Å; Y1695-M1706 WeakPolarHBondContact CA-O 3.12Å; A1696-M1706 PolarHBondContact N-O 3.33Å; A1696-M1706 PolarHBondContact O-N 3.21Å; A1698-M1706 HydrophobicContact CB-CB 4.5Å; A1698-M1706 HydrophobicContact CB-CG 4.01Å; A1698-M1706 HydrophobicContact CB-SD 3.73Å; Y1702-M1706 HydrophobicContact CD1-SD 4.05Å; Y1702-M1706 HydrophobicContact CD2-SD 4.44Å; Y1702-M1706 HydrophobicContact CG-SD 3.92Å; K1704-M1706 HydrophobicContact CD-CG 4.39Å; K1704-M1706 HydrophobicContact CG-CG 3.79Å; K1704-M1706 PolarHBondContact O-N 3.09Å |
| 1707 | A | 87.5 | Confident | 82.6 | Confident | 40 Ų | 40 | 59 Ų | 59 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 141.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H232 Y1695 | H232-A1707 PolarHBondContact CE1-O 2.87Å; H232-A1707 PolarHBondContact ND1-O 2.8Å; Y1695-A1707 HydrophobicContact CD1-CB 4.28Å; Y1695-A1707 VanDerWaalsContact CD1-N 3.35Å; Y1695-A1707 HydrophobicContact CE1-CB 3.84Å |
| 1708 | F | 85.7 | Confident | 82.9 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 17% | 0.167 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | -46.1 | 178.4 | -178.1 | -97.3 | 0 | 0 | 0 | 111.3 | F1683 I1694 A1696 | F1683-F1708 HydrophobicContact CE1-CD1 4.23Å; F1683-F1708 HydrophobicContact CE1-CD2 4.26Å; F1683-F1708 HydrophobicContact CE1-CE1 4.21Å; F1683-F1708 HydrophobicContact CE1-CE2 4.23Å; F1683-F1708 HydrophobicContact CE1-CG 4.25Å; F1683-F1708 HydrophobicContact CE1-CZ 4.21Å; I1694-F1708 HydrophobicContact CB-CD1 4.44Å; I1694-F1708 HydrophobicContact CG2-CB 4.22Å; I1694-F1708 HydrophobicContact CG2-CD1 3.93Å; I1694-F1708 HydrophobicContact CG2-CG 4.46Å; I1694-F1708 WeakPolarHBondContact O-CA 3.48Å; I1694-F1708 WeakPolarHBondContact O-CB 3.42Å; I1694-F1708 PolarHBondContact O-N 3.38Å; A1696-F1708 HydrophobicContact CB-CB 4.41Å; A1696-F1708 HydrophobicContact CB-CD2 4.46Å |
| 1709 | K | 88.5 | Confident | 83.8 | Confident | 49 Ų | 49 | 62 Ų | 62 | 21% | 0.213 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 156.1 | 177.5 | -153.3 | 155.7 | 180 | 172.3 | 0 | 112.3 | I1694 F1711 L1746 N1749 | I1694-K1709 HydrophobicContact CB-CB 4.46Å; I1694-K1709 HydrophobicContact CD1-CB 4.48Å; I1694-K1709 PolarHBondContact N-O 2.9Å; I1694-K1709 PolarHBondContact O-N 3.19Å; I1694-K1709 VanDerWaalsContact O-N 3.11Å; K1709-F1711 HydrophobicContact CB-CE2 4.26Å; K1709-F1711 HydrophobicContact CD-CE2 3.93Å; K1709-F1711 HydrophobicContact CD-CZ 3.62Å; K1709-F1711 VanDerWaalsContact CE-CZ 3.44Å; K1709-F1711 HydrophobicContact CG-CE2 3.79Å; K1709-F1711 HydrophobicContact CG-CZ 3.87Å; K1709-L1746 HydrophobicContact CD-CD2 4.13Å; K1709-L1746 PolarHBondContact NZ-O 2.95Å; K1709-N1749 WeakPolarHBondContact CE-OD1 3.21Å; K1709-N1749 PolarHBondContact NZ-OD1 3.19Å |
| 1710 | R | 90.2 | Very high | 84.9 | Confident | 147 Ų | 147 | 61.3 Ų | 61.3 | 56% | 0.555 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 144.7 | 173.2 | 176.6 | 170.1 | -169.4 | 170.2 | -5.6 | 110 | V1692 E1693 | V1692-R1710 CarbonylContact O-C 3.49Å; V1692-R1710 WeakPolarHBondContact O-CA 3.5Å; E1693-R1710 HydrophobicContact CG-CB 4.03Å; E1693-R1710 HydrophobicContact CG-CG 3.75Å; E1693-R1710 WeakPolarHBondContact OE1-CD 3.5Å; E1693-R1710 IonicContact OE1-CZ 3.59Å; E1693-R1710 IonicContact OE1-NE 3.43Å; E1693-R1710 PolarHBondContact OE1-NE 2.74Å; E1693-R1710 IonicContact OE1-NH1 3.92Å; E1693-R1710 PolarHBondContact OE1-NH1 2.88Å |
| 1711 | F | 93.4 | Very high | 86.9 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 106.7 | 173.9 | -62.4 | -84.6 | 0 | 0 | 0 | 109 | S1691 V1692 I1694 K1709 L1714 I1744 L1746 N1749 | S1691-F1711 CarbonylContact C-O 3.49Å; S1691-F1711 WeakPolarHBondContact CA-O 3.43Å; S1691-F1711 WeakPolarHBondContact CB-O 3.44Å; V1692-F1711 PolarHBondContact N-O 2.97Å; V1692-F1711 PolarHBondContact O-N 3.01Å; I1694-F1711 HydrophobicContact CD1-CE2 4.19Å; K1709-F1711 HydrophobicContact CB-CE2 4.26Å; K1709-F1711 HydrophobicContact CD-CE2 3.93Å; K1709-F1711 HydrophobicContact CD-CZ 3.62Å; K1709-F1711 VanDerWaalsContact CE-CZ 3.44Å; K1709-F1711 HydrophobicContact CG-CE2 3.79Å; K1709-F1711 HydrophobicContact CG-CZ 3.87Å; F1711-L1714 HydrophobicContact CB-CD2 4.01Å; F1711-I1744 HydrophobicContact CB-CD1 4.18Å; F1711-I1744 HydrophobicContact CD1-CG2 3.79Å; F1711-I1744 HydrophobicContact CD2-CD1 4.14Å; F1711-I1744 HydrophobicContact CD2-CG2 4.25Å; F1711-I1744 HydrophobicContact CE1-CG2 3.51Å; F1711-I1744 HydrophobicContact CE2-CG2 4Å; F1711-I1744 HydrophobicContact CG-CD1 4.06Å; F1711-I1744 HydrophobicContact CG-CG2 4.14Å; F1711-I1744 HydrophobicContact CZ-CG2 3.61Å; F1711-L1746 HydrophobicContact CE2-CD2 3.53Å; F1711-L1746 HydrophobicContact CZ-CD2 3.72Å; F1711-N1749 HydrophobicContact CE1-CB 4.18Å |
| 1712 | S | 89.6 | Confident | 89.2 | Confident | 69 Ų | 69 | 54.1 Ų | 54.1 | 48% | 0.483 | 25% | 0.253 | S | S | . | . | trans | -98.2 | -20.8 | -179.4 | 40.7 | 0 | 0 | 0 | 0 | 114.3 | L1714 | S1712-L1714 PolarHBondContact O-N 3.44Š| ||
| 1713 | E | 85.7 | Confident | 90.6 | Very high | 174 Ų | 174 | 53.4 Ų | 53.4 | 81% | 0.813 | 25% | 0.251 | S | S | * | . | trans | -98.7 | 65.1 | -176 | -71.1 | 156.7 | -135.1 | 0 | 0 | 109.8 | ||||
| 1714 | L | 92.8 | Very high | 91.4 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 14% | 0.141 | 25% | 0.248 | C | C | . | . | trans | -94.3 | 125.7 | 178.5 | -59.1 | -178 | 0 | 0 | 0 | 110.4 | V1692 F1711 S1712 H1716 P1718 Y1735 I1744 V1751 | V1692-L1714 HydrophobicContact CB-CD1 4.43Å; V1692-L1714 HydrophobicContact CG2-CD1 3.91Å; F1711-L1714 HydrophobicContact CB-CD2 4.01Å; S1712-L1714 PolarHBondContact O-N 3.44Å; L1714-H1716 PolarHBondContact O-N 3.08Å; L1714-P1718 HydrophobicContact CD1-CG 4Å; L1714-Y1735 HydrophobicContact CD2-CE1 4.15Å; L1714-I1744 HydrophobicContact CD2-CD1 3.78Å; L1714-V1751 HydrophobicContact CD2-CG1 4.38Å; L1714-V1751 HydrophobicContact CD2-CG2 4.16Å | ||
| 1715 | K | 89.7 | Confident | 91.3 | Very high | 130 Ų | 130 | 49.4 Ų | 49.4 | 57% | 0.565 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -55.5 | -33 | 175.1 | -62.6 | -174.5 | -168 | 178.5 | 0 | 113.3 | D1753 | K1715-D1753 IonicContact NZ-OD2 2.72Å; K1715-D1753 PolarHBondContact NZ-OD2 3.1Å |
| 1716 | H | 92.7 | Very high | 90.9 | Very high | 46 Ų | 46 | 50.1 Ų | 50.1 | 21% | 0.213 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -135.7 | 140.5 | -173.7 | -61.3 | -90.8 | 0 | 0 | 0 | 110.3 | L1714 Y1735 N1739 H1742 D1753 | L1714-H1716 PolarHBondContact O-N 3.08Å; H1716-Y1735 WeakPolarHBondContact O-CE2 3.31Å; H1716-N1739 PolarHBondContact ND1-OD1 2.97Å; H1716-H1742 AromaticContact CD2-CE1 3.05Å; H1716-H1742 PolarHBondContact CD2-CE1 2.82Å; H1716-H1742 AromaticContact CD2-ND1 3.62Å; H1716-H1742 AromaticContact CD2-NE2 3.78Å; H1716-H1742 AromaticContact CG-CE1 3.38Å; H1716-H1742 AromaticContact CG-NE2 3.64Å; H1716-H1742 AromaticContact NE2-CE1 3.69Å; H1716-D1753 IonicContact CD2-OD1 2.7Å |
| 1717 | R | 94.6 | Very high | 90.1 | Very high | 128 Ų | 128 | 54.9 Ų | 54.9 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | trans | -68.2 | 127.4 | -178.1 | -60.7 | -171.3 | -172.3 | -116.4 | 0.5 | 111.1 | R1689 D1690 S1737 | R1689-R1717 WeakPolarHBondContact O-CB 3.42Å; D1690-R1717 WeakPolarHBondContact OD1-CD 3.43Å; D1690-R1717 WeakPolarHBondContact OD1-CG 3.37Å; D1690-R1717 IonicContact OD1-CZ 2.67Å; D1690-R1717 IonicContact OD1-NE 2.77Å; D1690-R1717 PolarHBondContact OD1-NE 3.34Å; D1690-R1717 IonicContact OD1-NH1 3.98Å; D1690-R1717 PolarHBondContact OD1-NH1 2.79Å; D1690-R1717 IonicContact OD1-NH2 3.72Å; D1690-R1717 IonicContact OD2-CZ 3.68Å; D1690-R1717 IonicContact OD2-NH1 3.63Å; D1690-R1717 PolarHBondContact OD2-NH1 3.07Å; R1717-S1737 VanDerWaalsContact O-CB 3.23Å; R1717-S1737 WeakPolarHBondContact O-CB 3.45Å | ||
| 1718 | P | 96.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -81.5 | 127.6 | -177.1 | 32.4 | -34.8 | 0 | 0 | 0 | 112.1 | A1687 L1688 V1692 L1714 Y1735 | A1687-P1718 HydrophobicContact CB-CB 4.07Å; A1687-P1718 HydrophobicContact CB-CG 4.16Å; L1688-P1718 VanDerWaalsContact O-CG 3.26Å; L1688-P1718 WeakPolarHBondContact O-CG 3.46Å; V1692-P1718 HydrophobicContact CG2-CB 4.2Å; V1692-P1718 HydrophobicContact CG2-CG 4.08Å; L1714-P1718 HydrophobicContact CD1-CG 4Å; P1718-Y1735 HydrophobicContact CB-CD2 3.71Å; P1718-Y1735 HydrophobicContact CB-CE2 4.34Å; P1718-Y1735 HydrophobicContact CB-CG 4.13Å | ||
| 1719 | L | 96.3 | Very high | 87.6 | Confident | 71 Ų | 71 | 63.9 Ų | 63.9 | 37% | 0.372 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -100.8 | -32.6 | 177.9 | -59.9 | 177.8 | 0 | 0 | 0 | 112.3 | I1671 G1736 P1766 | I1671-L1719 WeakPolarHBondContact CG2-O 3.47Å; L1719-G1736 PolarHBondContact N-O 3.37Å; L1719-P1766 HydrophobicContact CB-CG 4.31Å; L1719-P1766 HydrophobicContact CD1-CG 4.12Å |
| 1720 | L | 95.9 | Very high | 86.8 | Confident | 12 Ų | 12 | 65.8 Ų | 65.8 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 160.4 | 167.9 | 78.5 | 167.7 | 0 | 0 | 0 | 111 | H1672 Y1735 G1736 F1741 P1766 I1769 | H1672-L1720 HydrophobicContact CB-CB 4.45Å; L1720-Y1735 WeakPolarHBondContact O-CA 3.34Å; L1720-Y1735 VanDerWaalsContact O-CB 3.31Å; L1720-Y1735 WeakPolarHBondContact O-CB 3.24Å; L1720-G1736 PolarHBondContact O-N 3.03Å; L1720-G1736 VanDerWaalsContact O-N 3.07Å; L1720-F1741 HydrophobicContact CD2-CE1 3.96Å; L1720-F1741 HydrophobicContact CD2-CZ 4.5Å; L1720-P1766 HydrophobicContact CD2-CB 3.63Å; L1720-P1766 HydrophobicContact CD2-CG 3.68Å; L1720-I1769 HydrophobicContact CD1-CD1 4.22Å; L1720-I1769 HydrophobicContact CD1-CG1 4.15Å; L1720-I1769 HydrophobicContact CG-CD1 4.08Å; L1720-I1769 HydrophobicContact CG-CG1 4.49Å |
| 1721 | V | 97 | Very high | 86.6 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 146.5 | -179.7 | -80.5 | 0 | 0 | 0 | 0 | 111.3 | H1672 K1674 V1685 A1687 V1692 V1733 V1734 | H1672-V1721 HydrophobicContact CB-CG2 4.42Å; H1672-V1721 PolarHBondContact CE1-O 3.11Å; H1672-V1721 WeakPolarHBondContact ND1-CG2 3.38Å; H1672-V1721 PolarHBondContact ND1-N 3.27Å; H1672-V1721 PolarHBondContact ND1-O 3.44Å; K1674-V1721 WeakPolarHBondContact CB-O 3.28Å; V1685-V1721 HydrophobicContact CG1-CB 3.9Å; V1685-V1721 HydrophobicContact CG1-CG1 4.21Å; V1685-V1721 HydrophobicContact CG1-CG2 4.06Å; A1687-V1721 HydrophobicContact CB-CB 4.49Å; A1687-V1721 HydrophobicContact CB-CG1 3.84Å; A1687-V1721 HydrophobicContact CB-CG2 3.95Å; V1692-V1721 HydrophobicContact CG1-CG1 4.4Å; V1692-V1721 HydrophobicContact CG2-CG1 3.78Å; V1721-V1733 HydrophobicContact CG1-CG1 4.35Å; V1721-V1734 CarbonylContact C-O 3.55Å; V1721-V1734 WeakPolarHBondContact CA-O 3.2Å |
| 1722 | D | 95.5 | Very high | 86.6 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 170.3 | 166.1 | -137.7 | -47.6 | 0 | 0 | 0 | 110.9 | K1674 V1733 V1734 I1769 | K1674-D1722 WeakPolarHBondContact CG-OD1 3.38Å; K1674-D1722 IonicContact NZ-OD1 3.48Å; K1674-D1722 PolarHBondContact NZ-OD1 3.38Å; K1674-D1722 IonicContact NZ-OD2 3.22Å; K1674-D1722 PolarHBondContact NZ-OD2 3Å; D1722-V1733 WeakPolarHBondContact O-CA 3.42Å; D1722-V1734 PolarHBondContact N-O 2.85Å; D1722-V1734 PolarHBondContact O-N 3.47Å; D1722-I1769 HydrophobicContact CB-CB 4Å; D1722-I1769 HydrophobicContact CB-CD1 3.89Å; D1722-I1769 HydrophobicContact CB-CG2 3.84Å |
| 1723 | L | 94 | Very high | 86.8 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 111.8 | 174.2 | -176 | 74.9 | 0 | 0 | 0 | 108.6 | V1676 F1683 V1685 V1733 L1746 | V1676-L1723 HydrophobicContact CB-CB 4.08Å; V1676-L1723 HydrophobicContact CB-CD2 4.22Å; V1676-L1723 HydrophobicContact CG1-CB 4.34Å; V1676-L1723 HydrophobicContact CG1-CD2 4.31Å; V1676-L1723 HydrophobicContact CG2-CB 3.86Å; F1683-L1723 HydrophobicContact CB-CD2 3.74Å; F1683-L1723 HydrophobicContact CD2-CD2 3.96Å; F1683-L1723 HydrophobicContact CG-CD2 3.91Å; V1685-L1723 HydrophobicContact CG2-CB 3.98Å; V1685-L1723 HydrophobicContact CG2-CD1 4.42Å; V1685-L1723 HydrophobicContact CG2-CD2 4.38Å; L1723-V1733 HydrophobicContact CD1-CG2 3.82Å; L1723-L1746 HydrophobicContact CD1-CD1 3.52Å |
| 1724 | T | 91.8 | Very high | 87.3 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 156.3 | 168.6 | -166.1 | 0 | 0 | 0 | 0 | 110.4 | K1732 V1734 G1777 T1793 | T1724-K1732 HydrophobicContact CG2-CB 3.91Å; T1724-K1732 PolarHBondContact N-O 2.75Å; T1724-K1732 PolarHBondContact O-N 3.49Å; T1724-V1734 HydrophobicContact CG2-CG2 4.33Å; T1724-G1777 PolarHBondContact OG1-O 3.11Å; T1724-T1793 HydrophobicContact CG2-CG2 3.83Å |
| 1725 | V | 83.9 | Confident | 87.5 | Confident | 31 Ų | 31 | 47 Ų | 47 | 19% | 0.188 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 119.5 | 176.5 | -167.8 | 0 | 0 | 0 | 0 | 108.6 | Y1678 R1730 L1731 | Y1678-V1725 HydrophobicContact CD2-CB 4.02Å; Y1678-V1725 HydrophobicContact CD2-CG1 3.7Å; Y1678-V1725 HydrophobicContact CD2-CG2 3.83Å; Y1678-V1725 HydrophobicContact CE2-CB 4.19Å; Y1678-V1725 HydrophobicContact CE2-CG1 3.45Å; Y1678-V1725 VanDerWaalsContact CE2-CG1 3.45Å; Y1678-V1725 HydrophobicContact CE2-CG2 4.46Å; Y1678-V1725 HydrophobicContact CG-CG1 4.37Å; Y1678-V1725 HydrophobicContact CG-CG2 4.16Å; V1725-R1730 WeakPolarHBondContact CA-O 3.29Å; V1725-L1731 HydrophobicContact CB-CD2 4.1Å; V1725-L1731 HydrophobicContact CG1-CD2 3.66Å; V1725-L1731 HydrophobicContact CG2-CD2 3.48Å; V1725-L1731 VanDerWaalsContact CG2-CD2 3.48Å |
| 1726 | E | 81.3 | Confident | 87.8 | Confident | 28 Ų | 28 | 40.8 Ų | 40.8 | 13% | 0.131 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 134 | -178.3 | -59.6 | 174.2 | 135.9 | 0 | 0 | 110.1 | T1729 R1730 K1732 T1793 | E1726-T1729 PolarHBondContact O-N 3.23Å; E1726-T1729 VanDerWaalsContact O-N 3.13Å; E1726-R1730 PolarHBondContact N-O 3.25Å; E1726-R1730 PolarHBondContact O-N 3.25Å; E1726-R1730 VanDerWaalsContact OE2-CB 3.31Å; E1726-R1730 WeakPolarHBondContact OE2-CB 3.49Å; E1726-K1732 VanDerWaalsContact OE1-CE 3.27Å; E1726-K1732 WeakPolarHBondContact OE1-CE 3.49Å; E1726-K1732 IonicContact OE1-NZ 2.71Å; E1726-K1732 PolarHBondContact OE1-NZ 2.86Å; E1726-K1732 WeakPolarHBondContact OE2-CE 3.3Å; E1726-K1732 IonicContact OE2-NZ 3.98Å; E1726-T1793 HydrophobicContact CG-CG2 4.32Å; E1726-T1793 WeakPolarHBondContact OE1-CB 3.45Å; E1726-T1793 PolarHBondContact OE1-OG1 3.28Å |
| 1727 | E | 70.5 | Confident | 88 | Confident | 123 Ų | 123 | 38.6 Ų | 38.6 | 58% | 0.575 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 139 | 167.5 | -87.7 | 176.3 | -176.3 | 0 | 0 | 110.9 | T1729 G1776 | E1727-T1729 PolarHBondContact O-N 3.27Å; E1727-G1776 PolarHBondContact N-O 3.35Å; E1727-G1776 WeakPolarHBondContact OE1-CA 3.42Å |
| 1728 | N | 60.3 | Low | 87.9 | Confident | 158 Ų | 158 | 35 Ų | 35 | 85% | 0.845 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 27.3 | -175.2 | -49 | -51.8 | 0 | 0 | 0 | 115 | ||
| 1729 | T | 59.2 | Low | 87.7 | Confident | 109 Ų | 109 | 37.6 Ų | 37.6 | 67% | 0.669 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 100.1 | 166.5 | 68.6 | 0 | 0 | 0 | 0 | 117.6 | E1726 E1727 | E1726-T1729 PolarHBondContact O-N 3.23Å; E1726-T1729 VanDerWaalsContact O-N 3.13Å; E1727-T1729 PolarHBondContact O-N 3.27Å |
| 1730 | R | 72.3 | Confident | 87.6 | Confident | 90 Ų | 90 | 34.2 Ų | 34.2 | 34% | 0.34 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | -162 | 155 | 122.4 | -112.2 | 158.7 | 171.4 | -148.5 | -14.1 | 112.7 | V1725 E1726 D1745 D1747 | V1725-R1730 WeakPolarHBondContact CA-O 3.29Å; E1726-R1730 PolarHBondContact N-O 3.25Å; E1726-R1730 PolarHBondContact O-N 3.25Å; E1726-R1730 VanDerWaalsContact OE2-CB 3.31Å; E1726-R1730 WeakPolarHBondContact OE2-CB 3.49Å; R1730-D1745 IonicContact CZ-OD1 2.67Å; R1730-D1745 IonicContact CZ-OD2 2.71Å; R1730-D1745 IonicContact NE-OD1 3.08Å; R1730-D1745 IonicContact NE-OD2 3.55Å; R1730-D1745 IonicContact NH1-OD1 3.96Å; R1730-D1745 IonicContact NH1-OD2 3.95Å; R1730-D1745 PolarHBondContact NH1-OD2 3.44Å; R1730-D1745 IonicContact NH2-OD1 2.75Å; R1730-D1745 PolarHBondContact NH2-OD1 2.91Å; R1730-D1745 IonicContact NH2-OD2 3.42Å; R1730-D1745 PolarHBondContact NH2-OD2 3.21Å; R1730-D1747 WeakPolarHBondContact CG-OD2 3.41Å; R1730-D1747 IonicContact NE-OD2 2.68Å | |
| 1731 | L | 86.8 | Confident | 87.6 | Confident | 28 Ų | 28 | 33.6 Ų | 33.6 | 15% | 0.147 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 126.1 | 169.7 | -60.6 | 173.3 | 0 | 0 | 0 | 108 | Y1678 F1683 V1725 L1746 | Y1678-L1731 HydrophobicContact CD1-CD2 4.48Å; F1683-L1731 HydrophobicContact CZ-CD1 4.31Å; V1725-L1731 HydrophobicContact CB-CD2 4.1Å; V1725-L1731 HydrophobicContact CG1-CD2 3.66Å; V1725-L1731 HydrophobicContact CG2-CD2 3.48Å; V1725-L1731 VanDerWaalsContact CG2-CD2 3.48Å; L1731-L1746 HydrophobicContact CB-CB 4.07Å; L1731-L1746 HydrophobicContact CB-CD1 3.43Å; L1731-L1746 VanDerWaalsContact CB-CD1 3.43Å; L1731-L1746 HydrophobicContact CB-CG 4.3Å; L1731-L1746 HydrophobicContact CD1-CD1 4.44Å; L1731-L1746 VanDerWaalsContact O-CB 3.3Å; L1731-L1746 WeakPolarHBondContact O-CB 3.44Å; L1731-L1746 PolarHBondContact O-N 2.93Å; L1731-L1746 VanDerWaalsContact O-N 3.13Å |
| 1732 | K | 92.1 | Very high | 87.5 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 4% | 0.039 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.7 | 174.2 | -75.1 | 176.1 | 177.6 | 172 | 0 | 109.9 | T1724 E1726 I1744 T1793 N1794 | T1724-K1732 HydrophobicContact CG2-CB 3.91Å; T1724-K1732 PolarHBondContact N-O 2.75Å; T1724-K1732 PolarHBondContact O-N 3.49Å; E1726-K1732 VanDerWaalsContact OE1-CE 3.27Å; E1726-K1732 WeakPolarHBondContact OE1-CE 3.49Å; E1726-K1732 IonicContact OE1-NZ 2.71Å; E1726-K1732 PolarHBondContact OE1-NZ 2.86Å; E1726-K1732 WeakPolarHBondContact OE2-CE 3.3Å; E1726-K1732 IonicContact OE2-NZ 3.98Å; K1732-I1744 WeakPolarHBondContact CA-O 3.34Å; K1732-T1793 PolarHBondContact NZ-O 2.98Å; K1732-N1794 PolarHBondContact NZ-OD1 2.82Å |
| 1733 | V | 94.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 134.9 | 163.4 | 172.2 | 0 | 0 | 0 | 0 | 107.6 | V1685 V1692 I1694 V1721 D1722 L1723 A1743 I1744 L1746 | V1685-V1733 HydrophobicContact CG1-CG1 4.17Å; V1685-V1733 HydrophobicContact CG1-CG2 4.13Å; V1685-V1733 HydrophobicContact CG2-CG2 4.48Å; V1692-V1733 HydrophobicContact CG1-CG1 4.29Å; I1694-V1733 HydrophobicContact CD1-CG2 3.6Å; I1694-V1733 HydrophobicContact CG1-CG2 4.41Å; V1721-V1733 HydrophobicContact CG1-CG1 4.35Å; D1722-V1733 WeakPolarHBondContact O-CA 3.42Å; L1723-V1733 HydrophobicContact CD1-CG2 3.82Å; V1733-A1743 CarbonylContact O-C 3.53Å; V1733-A1743 VanDerWaalsContact O-CA 3.25Å; V1733-A1743 WeakPolarHBondContact O-CA 3.07Å; V1733-I1744 HydrophobicContact CB-CB 4.23Å; V1733-I1744 HydrophobicContact CB-CG1 4.46Å; V1733-I1744 HydrophobicContact CG1-CD1 4.48Å; V1733-I1744 PolarHBondContact N-O 2.76Å; V1733-I1744 PolarHBondContact O-N 3.18Å; V1733-L1746 HydrophobicContact CG2-CD1 4.11Å; V1733-L1746 HydrophobicContact CG2-CD2 4.38Å; V1733-L1746 HydrophobicContact CG2-CG 4.46Å |
| 1734 | V | 96.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.9 | 168.1 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | V1721 D1722 T1724 F1741 H1742 L1754 I1769 L1780 L1782 | V1721-V1734 CarbonylContact C-O 3.55Å; V1721-V1734 WeakPolarHBondContact CA-O 3.2Å; D1722-V1734 PolarHBondContact N-O 2.85Å; D1722-V1734 PolarHBondContact O-N 3.47Å; T1724-V1734 HydrophobicContact CG2-CG2 4.33Å; V1734-F1741 HydrophobicContact CG1-CD1 4.41Å; V1734-H1742 WeakPolarHBondContact CA-O 3.34Å; V1734-L1754 HydrophobicContact CG1-CD2 3.78Å; V1734-L1754 HydrophobicContact CG2-CD2 4.35Å; V1734-I1769 HydrophobicContact CB-CD1 4.15Å; V1734-I1769 HydrophobicContact CB-CG2 4.41Å; V1734-I1769 HydrophobicContact CG1-CD1 3.83Å; V1734-I1769 HydrophobicContact CG1-CG1 4.27Å; V1734-I1769 HydrophobicContact CG1-CG2 4.25Å; V1734-I1769 WeakPolarHBondContact O-CD1 3.24Å; V1734-L1780 HydrophobicContact CG2-CD1 3.9Å; V1734-L1782 HydrophobicContact CG1-CD2 4.32Å |
| 1735 | Y | 97.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 142.2 | 177.4 | 74.4 | -96.8 | 0 | 0 | 0 | 111.6 | L1714 H1716 P1718 L1720 F1741 H1742 I1744 V1751 | L1714-Y1735 HydrophobicContact CD2-CE1 4.15Å; H1716-Y1735 WeakPolarHBondContact O-CE2 3.31Å; P1718-Y1735 HydrophobicContact CB-CD2 3.71Å; P1718-Y1735 HydrophobicContact CB-CE2 4.34Å; P1718-Y1735 HydrophobicContact CB-CG 4.13Å; L1720-Y1735 WeakPolarHBondContact O-CA 3.34Å; L1720-Y1735 VanDerWaalsContact O-CB 3.31Å; L1720-Y1735 WeakPolarHBondContact O-CB 3.24Å; Y1735-F1741 WeakPolarHBondContact O-CA 3.49Å; Y1735-H1742 HydrophobicContact CD1-CB 4.05Å; Y1735-H1742 HydrophobicContact CD2-CB 4.2Å; Y1735-H1742 AromaticContact CD2-CD2 3.83Å; Y1735-H1742 HydrophobicContact CE1-CB 3.62Å; Y1735-H1742 HydrophobicContact CE2-CB 3.78Å; Y1735-H1742 AromaticContact CE2-CD2 3.41Å; Y1735-H1742 VanDerWaalsContact CE2-CD2 3.41Å; Y1735-H1742 WeakPolarHBondContact CE2-CD2 3.46Å; Y1735-H1742 AromaticContact CE2-CG 3.72Å; Y1735-H1742 HydrophobicContact CG-CB 4.33Å; Y1735-H1742 VanDerWaalsContact CZ-CB 3.47Å; Y1735-H1742 AromaticContact CZ-CD2 3.96Å; Y1735-H1742 AromaticContact CZ-CG 3.77Å; Y1735-H1742 PolarHBondContact N-O 2.73Å; Y1735-H1742 PolarHBondContact O-N 3.27Å; Y1735-I1744 HydrophobicContact CD1-CD1 4.04Å; Y1735-I1744 HydrophobicContact CD1-CG1 4.02Å; Y1735-I1744 HydrophobicContact CE1-CD1 3.89Å; Y1735-I1744 HydrophobicContact CE1-CG1 3.8Å; Y1735-V1751 HydrophobicContact CE1-CG1 4.25Å |
| 1736 | G | 96 | Very high | 87.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 144.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1719 L1720 G1740 F1741 | L1719-G1736 PolarHBondContact N-O 3.37Å; L1720-G1736 PolarHBondContact O-N 3.03Å; L1720-G1736 VanDerWaalsContact O-N 3.07Å; G1736-G1740 WeakPolarHBondContact CA-O 3.32Å; G1736-F1741 VanDerWaalsContact CA-CD1 3.41Å |
| 1737 | S | 95.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -127.5 | 179 | 173.6 | 78.8 | 0 | 0 | 0 | 0 | 110.5 | R1717 N1739 G1740 H1742 P1766 | R1717-S1737 VanDerWaalsContact O-CB 3.23Å; R1717-S1737 WeakPolarHBondContact O-CB 3.45Å; S1737-N1739 PolarHBondContact O-N 2.9Å; S1737-N1739 VanDerWaalsContact O-N 3.16Å; S1737-N1739 PolarHBondContact OG-N 3.39Å; S1737-G1740 PolarHBondContact N-O 3.07Å; S1737-G1740 PolarHBondContact O-N 2.93Å; S1737-G1740 PolarHBondContact OG-N 3.38Å; S1737-G1740 PolarHBondContact OG-O 2.64Å; S1737-H1742 WeakPolarHBondContact CB-NE2 3.37Å; S1737-H1742 PolarHBondContact OG-NE2 3.12Å; S1737-P1766 WeakPolarHBondContact O-CD 3.17Å; S1737-P1766 WeakPolarHBondContact O-CG 3.09Å | ||
| 1738 | S | 92.8 | Very high | 88.3 | Confident | 53 Ų | 53 | 30.8 Ų | 30.8 | 37% | 0.371 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -65.5 | -5.7 | 170.7 | 49.7 | 0 | 0 | 0 | 0 | 115 | ||
| 1739 | N | 91.9 | Very high | 89.5 | Confident | 53 Ų | 53 | 27.4 Ų | 27.4 | 28% | 0.283 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -109.1 | -25.1 | -179.3 | -62.3 | 96.8 | 0 | 0 | 0 | 113 | H1716 S1737 M1756 | H1716-N1739 PolarHBondContact ND1-OD1 2.97Å; S1737-N1739 PolarHBondContact O-N 2.9Å; S1737-N1739 VanDerWaalsContact O-N 3.16Å; S1737-N1739 PolarHBondContact OG-N 3.39Å; N1739-M1756 HydrophobicContact CB-SD 4.23Å; N1739-M1756 VanDerWaalsContact O-SD 3.39Å |
| 1740 | G | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | 160.8 | -157.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1736 S1737 Y1755 Y1784 | G1736-G1740 WeakPolarHBondContact CA-O 3.32Å; S1737-G1740 PolarHBondContact N-O 3.07Å; S1737-G1740 PolarHBondContact O-N 2.93Å; S1737-G1740 PolarHBondContact OG-N 3.38Å; S1737-G1740 PolarHBondContact OG-O 2.64Å; G1740-Y1755 WeakPolarHBondContact CA-O 3.49Å; G1740-Y1784 WeakPolarHBondContact CA-OH 3.5Å | ||
| 1741 | F | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 146.3 | 171.5 | -74.6 | -82.5 | 0 | 0 | 0 | 111.5 | L1720 V1734 Y1735 G1736 L1754 Y1755 M1756 P1766 I1769 L1782 Y1784 | L1720-F1741 HydrophobicContact CD2-CE1 3.96Å; L1720-F1741 HydrophobicContact CD2-CZ 4.5Å; V1734-F1741 HydrophobicContact CG1-CD1 4.41Å; Y1735-F1741 WeakPolarHBondContact O-CA 3.49Å; G1736-F1741 VanDerWaalsContact CA-CD1 3.41Å; F1741-L1754 WeakPolarHBondContact O-CA 3.35Å; F1741-L1754 WeakPolarHBondContact O-CB 3.31Å; F1741-L1754 PolarHBondContact O-N 3.36Å; F1741-Y1755 PolarHBondContact N-O 3.09Å; F1741-Y1755 PolarHBondContact O-N 2.84Å; F1741-M1756 WeakPolarHBondContact O-CE 3.13Å; F1741-P1766 HydrophobicContact CE1-CB 3.97Å; F1741-P1766 HydrophobicContact CE2-CB 3.99Å; F1741-P1766 HydrophobicContact CZ-CB 3.49Å; F1741-P1766 VanDerWaalsContact CZ-CB 3.49Å; F1741-I1769 HydrophobicContact CD1-CD1 4.18Å; F1741-I1769 HydrophobicContact CD1-CG1 3.97Å; F1741-I1769 HydrophobicContact CE1-CD1 3.9Å; F1741-I1769 HydrophobicContact CE1-CG1 3.43Å; F1741-I1769 VanDerWaalsContact CE1-CG1 3.43Å; F1741-I1769 HydrophobicContact CZ-CG1 4.26Å; F1741-L1782 HydrophobicContact CB-CD1 3.84Å; F1741-L1782 HydrophobicContact CB-CD2 4.34Å; F1741-L1782 HydrophobicContact CD1-CD2 4Å; F1741-L1782 HydrophobicContact CD2-CB 3.67Å; F1741-L1782 HydrophobicContact CD2-CD1 3.86Å; F1741-L1782 HydrophobicContact CD2-CD2 4.07Å; F1741-L1782 HydrophobicContact CD2-CG 4.08Å; F1741-L1782 HydrophobicContact CE1-CD2 4.3Å; F1741-L1782 HydrophobicContact CE2-CB 3.69Å; F1741-L1782 HydrophobicContact CE2-CD2 4.39Å; F1741-L1782 HydrophobicContact CE2-CG 4.47Å; F1741-L1782 HydrophobicContact CG-CB 4.35Å; F1741-L1782 HydrophobicContact CG-CD1 3.96Å; F1741-L1782 HydrophobicContact CG-CD2 3.88Å; F1741-L1782 HydrophobicContact CG-CG 4.29Å; F1741-L1782 HydrophobicContact CZ-CB 4.36Å; F1741-L1782 HydrophobicContact CZ-CD2 4.48Å; F1741-Y1784 HydrophobicContact CD2-CD1 4.49Å; F1741-Y1784 AromaticContact CD2-CE1 3.63Å; F1741-Y1784 HydrophobicContact CD2-CE1 3.63Å; F1741-Y1784 HydrophobicContact CD2-CE2 4.11Å; F1741-Y1784 AromaticContact CD2-CZ 3.42Å; F1741-Y1784 VanDerWaalsContact CD2-CZ 3.42Å; F1741-Y1784 VanDerWaalsContact CD2-OH 3.3Å; F1741-Y1784 WeakPolarHBondContact CD2-OH 3.46Å; F1741-Y1784 AromaticContact CE2-CD1 3.88Å; F1741-Y1784 HydrophobicContact CE2-CD1 3.88Å; F1741-Y1784 HydrophobicContact CE2-CD2 4.43Å; F1741-Y1784 AromaticContact CE2-CE1 3.46Å; F1741-Y1784 HydrophobicContact CE2-CE1 3.46Å; F1741-Y1784 VanDerWaalsContact CE2-CE1 3.46Å; F1741-Y1784 HydrophobicContact CE2-CE2 4.05Å; F1741-Y1784 HydrophobicContact CE2-CG 4.38Å; F1741-Y1784 AromaticContact CE2-CZ 3.57Å; F1741-Y1784 HydrophobicContact CZ-CE1 4.49Å; F1741-Y1784 PolarHBondContact N-OH 3.43Å |
| 1742 | H | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 159.2 | -176.7 | -45.1 | -92.7 | 0 | 0 | 0 | 109.4 | H1716 V1734 Y1735 S1737 F1752 D1753 M1756 | H1716-H1742 AromaticContact CD2-CE1 3.05Å; H1716-H1742 PolarHBondContact CD2-CE1 2.82Å; H1716-H1742 AromaticContact CD2-ND1 3.62Å; H1716-H1742 AromaticContact CD2-NE2 3.78Å; H1716-H1742 AromaticContact CG-CE1 3.38Å; H1716-H1742 AromaticContact CG-NE2 3.64Å; H1716-H1742 AromaticContact NE2-CE1 3.69Å; V1734-H1742 WeakPolarHBondContact CA-O 3.34Å; Y1735-H1742 HydrophobicContact CD1-CB 4.05Å; Y1735-H1742 HydrophobicContact CD2-CB 4.2Å; Y1735-H1742 AromaticContact CD2-CD2 3.83Å; Y1735-H1742 HydrophobicContact CE1-CB 3.62Å; Y1735-H1742 HydrophobicContact CE2-CB 3.78Å; Y1735-H1742 AromaticContact CE2-CD2 3.41Å; Y1735-H1742 VanDerWaalsContact CE2-CD2 3.41Å; Y1735-H1742 WeakPolarHBondContact CE2-CD2 3.46Å; Y1735-H1742 AromaticContact CE2-CG 3.72Å; Y1735-H1742 HydrophobicContact CG-CB 4.33Å; Y1735-H1742 VanDerWaalsContact CZ-CB 3.47Å; Y1735-H1742 AromaticContact CZ-CD2 3.96Å; Y1735-H1742 AromaticContact CZ-CG 3.77Å; Y1735-H1742 PolarHBondContact N-O 2.73Å; Y1735-H1742 PolarHBondContact O-N 3.27Å; S1737-H1742 WeakPolarHBondContact CB-NE2 3.37Å; S1737-H1742 PolarHBondContact OG-NE2 3.12Å; H1742-F1752 CarbonylContact C-O 3.28Å; H1742-F1752 WeakPolarHBondContact CA-O 3.42Å; H1742-D1753 IonicContact CE1-OD1 3.57Å; H1742-D1753 PolarHBondContact CE1-OD1 2.79Å; H1742-D1753 IonicContact CG-OD1 2.84Å; H1742-D1753 IonicContact ND1-OD1 3.22Å; H1742-D1753 PolarHBondContact ND1-OD1 2.76Å; H1742-M1756 WeakPolarHBondContact CE1-CE 3.35Å; H1742-M1756 WeakPolarHBondContact ND1-CE 3.49Å |
| 1743 | A | 94.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 150.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1733 V1751 F1752 L1754 | V1733-A1743 CarbonylContact O-C 3.53Å; V1733-A1743 VanDerWaalsContact O-CA 3.25Å; V1733-A1743 WeakPolarHBondContact O-CA 3.07Å; A1743-V1751 WeakPolarHBondContact O-CA 3.32Å; A1743-F1752 HydrophobicContact CB-CD1 4.32Å; A1743-F1752 HydrophobicContact CB-CD2 4.35Å; A1743-F1752 HydrophobicContact CB-CE1 3.76Å; A1743-F1752 HydrophobicContact CB-CE2 3.81Å; A1743-F1752 HydrophobicContact CB-CZ 3.49Å; A1743-F1752 VanDerWaalsContact CB-CZ 3.49Å; A1743-F1752 PolarHBondContact N-O 2.89Å; A1743-F1752 PolarHBondContact O-N 2.91Å; A1743-L1754 HydrophobicContact CB-CB 4.36Å; A1743-L1754 HydrophobicContact CB-CD1 4.18Å |
| 1744 | I | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 114.8 | 174.9 | -44.2 | 179.1 | 0 | 0 | 0 | 108.2 | V1692 F1711 L1714 K1732 V1733 Y1735 L1746 V1751 | V1692-I1744 HydrophobicContact CB-CD1 4.48Å; F1711-I1744 HydrophobicContact CB-CD1 4.18Å; F1711-I1744 HydrophobicContact CD1-CG2 3.79Å; F1711-I1744 HydrophobicContact CD2-CD1 4.14Å; F1711-I1744 HydrophobicContact CD2-CG2 4.25Å; F1711-I1744 HydrophobicContact CE1-CG2 3.51Å; F1711-I1744 HydrophobicContact CE2-CG2 4Å; F1711-I1744 HydrophobicContact CG-CD1 4.06Å; F1711-I1744 HydrophobicContact CG-CG2 4.14Å; F1711-I1744 HydrophobicContact CZ-CG2 3.61Å; L1714-I1744 HydrophobicContact CD2-CD1 3.78Å; K1732-I1744 WeakPolarHBondContact CA-O 3.34Å; V1733-I1744 HydrophobicContact CB-CB 4.23Å; V1733-I1744 HydrophobicContact CB-CG1 4.46Å; V1733-I1744 HydrophobicContact CG1-CD1 4.48Å; V1733-I1744 PolarHBondContact N-O 2.76Å; V1733-I1744 PolarHBondContact O-N 3.18Å; Y1735-I1744 HydrophobicContact CD1-CD1 4.04Å; Y1735-I1744 HydrophobicContact CD1-CG1 4.02Å; Y1735-I1744 HydrophobicContact CE1-CD1 3.89Å; Y1735-I1744 HydrophobicContact CE1-CG1 3.8Å; I1744-L1746 PolarHBondContact O-N 3.12Å; I1744-V1751 HydrophobicContact CG1-CG1 4.41Å; I1744-V1751 HydrophobicContact CG1-CG2 4.17Å; I1744-V1751 HydrophobicContact CG2-CG2 4.11Å |
| 1745 | D | 89.6 | Confident | 92 | Very high | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.059 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 117.2 | 170.8 | 168.3 | -3.1 | 0 | 0 | 0 | 109.5 | R1730 D1747 S1748 N1749 I1750 | R1730-D1745 IonicContact CZ-OD1 2.67Å; R1730-D1745 IonicContact CZ-OD2 2.71Å; R1730-D1745 IonicContact NE-OD1 3.08Å; R1730-D1745 IonicContact NE-OD2 3.55Å; R1730-D1745 IonicContact NH1-OD1 3.96Å; R1730-D1745 IonicContact NH1-OD2 3.95Å; R1730-D1745 PolarHBondContact NH1-OD2 3.44Å; R1730-D1745 IonicContact NH2-OD1 2.75Å; R1730-D1745 PolarHBondContact NH2-OD1 2.91Å; R1730-D1745 IonicContact NH2-OD2 3.42Å; R1730-D1745 PolarHBondContact NH2-OD2 3.21Å; D1745-D1747 VanDerWaalsContact C-N 3.27Å; D1745-D1747 PolarHBondContact O-N 3.27Å; D1745-D1747 PolarHBondContact OD1-N 2.89Å; D1745-S1748 WeakPolarHBondContact CB-OG 3.34Å; D1745-S1748 PolarHBondContact OD1-N 3.25Å; D1745-S1748 VanDerWaalsContact OD1-N 3.13Å; D1745-S1748 WeakPolarHBondContact OD2-CB 3.46Å; D1745-S1748 PolarHBondContact OD2-OG 2.99Å; D1745-N1749 VanDerWaalsContact O-CA 3.29Å; D1745-N1749 WeakPolarHBondContact O-CA 3.34Å; D1745-N1749 PolarHBondContact O-N 2.7Å; D1745-I1750 PolarHBondContact N-O 2.75Å |
| 1746 | L | 86.7 | Confident | 91.7 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -11.2 | -172 | -74.2 | 164.7 | 0 | 0 | 0 | 114.7 | I1694 K1709 F1711 L1723 L1731 V1733 I1744 | I1694-L1746 HydrophobicContact CD1-CD1 4.08Å; I1694-L1746 HydrophobicContact CD1-CD2 3.3Å; I1694-L1746 HydrophobicContact CD1-CG 4.33Å; K1709-L1746 HydrophobicContact CD-CD2 4.13Å; K1709-L1746 PolarHBondContact NZ-O 2.95Å; F1711-L1746 HydrophobicContact CE2-CD2 3.53Å; F1711-L1746 HydrophobicContact CZ-CD2 3.72Å; L1723-L1746 HydrophobicContact CD1-CD1 3.52Å; L1731-L1746 HydrophobicContact CB-CB 4.07Å; L1731-L1746 HydrophobicContact CB-CD1 3.43Å; L1731-L1746 VanDerWaalsContact CB-CD1 3.43Å; L1731-L1746 HydrophobicContact CB-CG 4.3Å; L1731-L1746 HydrophobicContact CD1-CD1 4.44Å; L1731-L1746 VanDerWaalsContact O-CB 3.3Å; L1731-L1746 WeakPolarHBondContact O-CB 3.44Å; L1731-L1746 PolarHBondContact O-N 2.93Å; L1731-L1746 VanDerWaalsContact O-N 3.13Å; V1733-L1746 HydrophobicContact CG2-CD1 4.11Å; V1733-L1746 HydrophobicContact CG2-CD2 4.38Å; V1733-L1746 HydrophobicContact CG2-CG 4.46Å; I1744-L1746 PolarHBondContact O-N 3.12Å |
| 1747 | D | 82.4 | Confident | 91.1 | Very high | 86 Ų | 86 | 33.4 Ų | 33.4 | 46% | 0.46 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -43.9 | 174.9 | -71.1 | -43.3 | 0 | 0 | 0 | 111.9 | R1730 D1745 | R1730-D1747 WeakPolarHBondContact CG-OD2 3.41Å; R1730-D1747 IonicContact NE-OD2 2.68Å; D1745-D1747 VanDerWaalsContact C-N 3.27Å; D1745-D1747 PolarHBondContact O-N 3.27Å; D1745-D1747 PolarHBondContact OD1-N 2.89Å |
| 1748 | S | 84.9 | Confident | 90.1 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -20.4 | 178.4 | 70.5 | 0 | 0 | 0 | 0 | 114.6 | D1745 I1750 | D1745-S1748 WeakPolarHBondContact CB-OG 3.34Å; D1745-S1748 PolarHBondContact OD1-N 3.25Å; D1745-S1748 VanDerWaalsContact OD1-N 3.13Å; D1745-S1748 WeakPolarHBondContact OD2-CB 3.46Å; D1745-S1748 PolarHBondContact OD2-OG 2.99Å; S1748-I1750 PolarHBondContact O-N 3.03Å; S1748-I1750 WeakPolarHBondContact OG-CB 3.41Å; S1748-I1750 VanDerWaalsContact OG-CG1 3.3Å; S1748-I1750 WeakPolarHBondContact OG-CG1 3.25Å; S1748-I1750 PolarHBondContact OG-N 2.6Å; S1748-I1750 VanDerWaalsContact OG-N 3.11Å |
| 1749 | N | 85.4 | Confident | 88.8 | Confident | 88 Ų | 88 | 42.4 Ų | 42.4 | 47% | 0.471 | 23% | 0.232 | S | C | . | . | trans | 68.6 | 5.8 | -166.7 | -41.2 | -79.7 | 0 | 0 | 0 | 115.1 | K1709 F1711 D1745 V1751 | K1709-N1749 WeakPolarHBondContact CE-OD1 3.21Å; K1709-N1749 PolarHBondContact NZ-OD1 3.19Å; F1711-N1749 HydrophobicContact CE1-CB 4.18Å; D1745-N1749 VanDerWaalsContact O-CA 3.29Å; D1745-N1749 WeakPolarHBondContact O-CA 3.34Å; D1745-N1749 PolarHBondContact O-N 2.7Å; N1749-V1751 PolarHBondContact O-N 2.97Å | ||
| 1750 | I | 88.3 | Confident | 87.3 | Confident | 103 Ų | 103 | 44.7 Ų | 44.7 | 53% | 0.528 | 24% | 0.243 | S | C | . | . | trans | -69.8 | 122.5 | -178.6 | -63 | 169.3 | 0 | 0 | 0 | 109.5 | D1745 S1748 F1752 | D1745-I1750 PolarHBondContact N-O 2.75Å; S1748-I1750 PolarHBondContact O-N 3.03Å; S1748-I1750 WeakPolarHBondContact OG-CB 3.41Å; S1748-I1750 VanDerWaalsContact OG-CG1 3.3Å; S1748-I1750 WeakPolarHBondContact OG-CG1 3.25Å; S1748-I1750 PolarHBondContact OG-N 2.6Å; S1748-I1750 VanDerWaalsContact OG-N 3.11Å; I1750-F1752 HydrophobicContact CG2-CB 4.46Å; I1750-F1752 HydrophobicContact CG2-CD1 4.31Å | ||
| 1751 | V | 92 | Very high | 85.6 | Confident | 30 Ų | 30 | 52.9 Ų | 52.9 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 121.5 | 168.7 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | L1714 Y1735 A1743 I1744 N1749 | L1714-V1751 HydrophobicContact CD2-CG1 4.38Å; L1714-V1751 HydrophobicContact CD2-CG2 4.16Å; Y1735-V1751 HydrophobicContact CE1-CG1 4.25Å; A1743-V1751 WeakPolarHBondContact O-CA 3.32Å; I1744-V1751 HydrophobicContact CG1-CG1 4.41Å; I1744-V1751 HydrophobicContact CG1-CG2 4.17Å; I1744-V1751 HydrophobicContact CG2-CG2 4.11Å; N1749-V1751 PolarHBondContact O-N 2.97Å |
| 1752 | F | 92.9 | Very high | 84.1 | Confident | 49 Ų | 49 | 56 Ų | 56 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 157.7 | -178.3 | 64.9 | -84.5 | 0 | 0 | 0 | 112.2 | H1742 A1743 I1750 L1754 | H1742-F1752 CarbonylContact C-O 3.28Å; H1742-F1752 WeakPolarHBondContact CA-O 3.42Å; A1743-F1752 HydrophobicContact CB-CD1 4.32Å; A1743-F1752 HydrophobicContact CB-CD2 4.35Å; A1743-F1752 HydrophobicContact CB-CE1 3.76Å; A1743-F1752 HydrophobicContact CB-CE2 3.81Å; A1743-F1752 HydrophobicContact CB-CZ 3.49Å; A1743-F1752 VanDerWaalsContact CB-CZ 3.49Å; A1743-F1752 PolarHBondContact N-O 2.89Å; A1743-F1752 PolarHBondContact O-N 2.91Å; I1750-F1752 HydrophobicContact CG2-CB 4.46Å; I1750-F1752 HydrophobicContact CG2-CD1 4.31Å; F1752-L1754 HydrophobicContact CE2-CD1 4Å |
| 1753 | D | 94.4 | Very high | 83.1 | Confident | 61 Ų | 61 | 64.4 Ų | 64.4 | 33% | 0.326 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 120.9 | -176 | -54.1 | -57.4 | 0 | 0 | 0 | 108.2 | K1715 H1716 H1742 M1756 | K1715-D1753 IonicContact NZ-OD2 2.72Å; K1715-D1753 PolarHBondContact NZ-OD2 3.1Å; H1716-D1753 IonicContact CD2-OD1 2.7Å; H1742-D1753 IonicContact CE1-OD1 3.57Å; H1742-D1753 PolarHBondContact CE1-OD1 2.79Å; H1742-D1753 IonicContact CG-OD1 2.84Å; H1742-D1753 IonicContact ND1-OD1 3.22Å; H1742-D1753 PolarHBondContact ND1-OD1 2.76Å; D1753-M1756 HydrophobicContact CB-CE 4.01Å; D1753-M1756 HydrophobicContact CB-CG 4.36Å |
| 1754 | L | 93.8 | Very high | 82.7 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -44.8 | -168.1 | -173.8 | 74 | 0 | 0 | 0 | 111.4 | V1734 F1741 A1743 F1752 L1780 L1782 G1795 | V1734-L1754 HydrophobicContact CG1-CD2 3.78Å; V1734-L1754 HydrophobicContact CG2-CD2 4.35Å; F1741-L1754 WeakPolarHBondContact O-CA 3.35Å; F1741-L1754 WeakPolarHBondContact O-CB 3.31Å; F1741-L1754 PolarHBondContact O-N 3.36Å; A1743-L1754 HydrophobicContact CB-CB 4.36Å; A1743-L1754 HydrophobicContact CB-CD1 4.18Å; F1752-L1754 HydrophobicContact CE2-CD1 4Å; L1754-L1780 HydrophobicContact CD2-CD1 3.94Å; L1754-L1782 HydrophobicContact CD2-CD1 4.12Å; L1754-G1795 VanDerWaalsContact CD1-N 3.34Å; L1754-G1795 WeakPolarHBondContact O-CA 3.49Å |
| 1755 | Y | 93.8 | Very high | 82.6 | Confident | 45 Ų | 45 | 67.8 Ų | 67.8 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 120.9 | 169.1 | -179.7 | -97.3 | 0 | 0 | 0 | 110 | G1740 F1741 P1757 Y1784 E1787 V1789 V1791 L1797 | G1740-Y1755 WeakPolarHBondContact CA-O 3.49Å; F1741-Y1755 PolarHBondContact N-O 3.09Å; F1741-Y1755 PolarHBondContact O-N 2.84Å; Y1755-P1757 HydrophobicContact CD1-CG 4.26Å; Y1755-P1757 HydrophobicContact CE1-CB 4.34Å; Y1755-P1757 HydrophobicContact CE1-CG 3.89Å; Y1755-Y1784 AromaticContact CD1-CE2 3.92Å; Y1755-Y1784 HydrophobicContact CD1-CE2 3.92Å; Y1755-Y1784 WeakPolarHBondContact CD1-OH 3Å; Y1755-Y1784 AromaticContact CE1-CE2 3.95Å; Y1755-Y1784 HydrophobicContact CE1-CE2 3.95Å; Y1755-Y1784 PolarHBondContact O-OH 3.24Å; Y1755-Y1784 VanDerWaalsContact O-OH 3.14Å; Y1755-E1787 WeakPolarHBondContact CE1-OE1 3.5Å; Y1755-E1787 PolarHBondContact OH-OE1 2.79Å; Y1755-V1789 HydrophobicContact CD1-CG2 3.68Å; Y1755-V1789 HydrophobicContact CD2-CG2 4.45Å; Y1755-V1789 HydrophobicContact CE1-CB 4.35Å; Y1755-V1789 HydrophobicContact CE1-CG1 3.98Å; Y1755-V1789 HydrophobicContact CE1-CG2 3.66Å; Y1755-V1789 HydrophobicContact CE2-CG2 4.45Å; Y1755-V1789 HydrophobicContact CG-CG2 4.09Å; Y1755-V1791 HydrophobicContact CD2-CG1 4.29Å; Y1755-V1791 HydrophobicContact CG-CG1 4.49Å; Y1755-L1797 HydrophobicContact CE2-CD2 4.14Å |
| 1756 | M | 89.9 | Confident | 82.9 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 31% | 0.31 | 37% | 0.368 | S | S | . | . | trans | -110.8 | 115.7 | 175.4 | -63.7 | -62.2 | 117.4 | 0 | 0 | 108.2 | N1739 F1741 H1742 D1753 | N1739-M1756 HydrophobicContact CB-SD 4.23Å; N1739-M1756 VanDerWaalsContact O-SD 3.39Å; F1741-M1756 WeakPolarHBondContact O-CE 3.13Å; H1742-M1756 WeakPolarHBondContact CE1-CE 3.35Å; H1742-M1756 WeakPolarHBondContact ND1-CE 3.49Å; D1753-M1756 HydrophobicContact CB-CE 4.01Å; D1753-M1756 HydrophobicContact CB-CG 4.36Å | ||
| 1757 | P | 84.8 | Confident | 83.3 | Confident | 8 Ų | 8 | 69.6 Ų | 69.6 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | trans | -62.9 | 137.8 | 177 | -22.2 | 34.2 | 0 | 0 | 0 | 111.3 | Y1755 L1759 I1760 I1764 Y1784 | Y1755-P1757 HydrophobicContact CD1-CG 4.26Å; Y1755-P1757 HydrophobicContact CE1-CB 4.34Å; Y1755-P1757 HydrophobicContact CE1-CG 3.89Å; P1757-L1759 PolarHBondContact O-N 2.66Å; P1757-I1760 WeakPolarHBondContact O-CG1 3.43Å; P1757-I1764 HydrophobicContact CB-CD1 3.67Å; P1757-I1764 HydrophobicContact CG-CD1 3.66Å; P1757-Y1784 WeakPolarHBondContact CD-OH 3.28Å; P1757-Y1784 HydrophobicContact CG-CE1 4.28Å; P1757-Y1784 HydrophobicContact CG-CE2 3.78Å | ||
| 1758 | S | 74.4 | Confident | 83.9 | Confident | 112 Ų | 112 | 66.5 Ų | 66.5 | 78% | 0.783 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -76.1 | -2.7 | -170.8 | 56 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1759 | L | 64.5 | Low | 84.4 | Confident | 129 Ų | 129 | 65.1 Ų | 65.1 | 68% | 0.675 | 35% | 0.351 | S | S | * | . | trans | -118.3 | 82.6 | 174 | -75.6 | 89 | 0 | 0 | 0 | 110.4 | P1757 N1761 | P1757-L1759 PolarHBondContact O-N 2.66Å; L1759-N1761 PolarHBondContact O-N 3.3Å | ||
| 1760 | I | 61.6 | Low | 84.9 | Confident | 102 Ų | 102 | 61 Ų | 61 | 52% | 0.523 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -0.4 | -178.5 | -57.1 | 176.6 | 0 | 0 | 0 | 112.3 | P1757 S1762 | P1757-I1760 WeakPolarHBondContact O-CG1 3.43Å; I1760-S1762 PolarHBondContact O-N 2.94Å |
| 1761 | N | 58.3 | Low | 85.1 | Confident | 171 Ų | 171 | 58.5 Ų | 58.5 | 91% | 0.914 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -1.2 | -175.5 | -69.5 | 17.8 | 0 | 0 | 0 | 115.1 | L1759 | L1759-N1761 PolarHBondContact O-N 3.3Š|
| 1762 | S | 64.1 | Low | 85 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 46% | 0.462 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -131.1 | 143.5 | 171.1 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | I1760 I1764 | I1760-S1762 PolarHBondContact O-N 2.94Å; S1762-I1764 VanDerWaalsContact O-CG1 3.3Å; S1762-I1764 WeakPolarHBondContact O-CG1 3.31Å; S1762-I1764 PolarHBondContact O-N 3.48Å |
| 1763 | H | 74.4 | Confident | 84.7 | Confident | 176 Ų | 176 | 58.5 Ų | 58.5 | 82% | 0.815 | 32% | 0.323 | S | S | * | . | trans | -58.3 | 123.4 | 168.6 | -80.9 | -76 | 0 | 0 | 0 | 110 | ||||
| 1764 | I | 87.4 | Confident | 84.2 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | trans | -103.7 | 130.4 | -179.6 | -46.5 | -175.5 | 0 | 0 | 0 | 108.9 | P1757 S1762 Y1784 D1785 | P1757-I1764 HydrophobicContact CB-CD1 3.67Å; P1757-I1764 HydrophobicContact CG-CD1 3.66Å; S1762-I1764 VanDerWaalsContact O-CG1 3.3Å; S1762-I1764 WeakPolarHBondContact O-CG1 3.31Å; S1762-I1764 PolarHBondContact O-N 3.48Å; I1764-Y1784 HydrophobicContact CG2-CD1 3.36Å; I1764-Y1784 HydrophobicContact CG2-CE1 3.98Å; I1764-Y1784 HydrophobicContact CG2-CG 3.72Å; I1764-D1785 WeakPolarHBondContact CG2-OD1 3.49Å | ||
| 1765 | T | 92 | Very high | 83.9 | Confident | 64 Ų | 64 | 64.6 Ų | 64.6 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | trans | -104.6 | 111.8 | -179.1 | -43.5 | 0 | 0 | 0 | 0 | 110.2 | Y1784 D1785 | T1765-Y1784 CarbonylContact O-C 3.54Å; T1765-Y1784 VanDerWaalsContact O-CA 3.32Å; T1765-Y1784 WeakPolarHBondContact O-CA 3.4Å; T1765-D1785 WeakPolarHBondContact CA-OD2 3.4Å; T1765-D1785 WeakPolarHBondContact CB-OD2 3.49Å; T1765-D1785 PolarHBondContact N-OD1 3.32Å; T1765-D1785 VanDerWaalsContact N-OD1 3.15Å; T1765-D1785 PolarHBondContact N-OD2 2.71Å; T1765-D1785 PolarHBondContact O-N 3.34Å; T1765-D1785 PolarHBondContact OG1-OD2 3.03Å | ||
| 1766 | P | 95.3 | Very high | 83.3 | Confident | 11 Ų | 11 | 63 Ų | 63 | 7% | 0.071 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 123.9 | 175.9 | 33.7 | -36.3 | 0 | 0 | 0 | 110.5 | L1719 L1720 S1737 F1741 Y1784 | L1719-P1766 HydrophobicContact CB-CG 4.31Å; L1719-P1766 HydrophobicContact CD1-CG 4.12Å; L1720-P1766 HydrophobicContact CD2-CB 3.63Å; L1720-P1766 HydrophobicContact CD2-CG 3.68Å; S1737-P1766 WeakPolarHBondContact O-CD 3.17Å; S1737-P1766 WeakPolarHBondContact O-CG 3.09Å; F1741-P1766 HydrophobicContact CE1-CB 3.97Å; F1741-P1766 HydrophobicContact CE2-CB 3.99Å; F1741-P1766 HydrophobicContact CZ-CB 3.49Å; F1741-P1766 VanDerWaalsContact CZ-CB 3.49Å; P1766-Y1784 HydrophobicContact CB-CD1 4.11Å; P1766-Y1784 HydrophobicContact CB-CE1 4.33Å |
| 1767 | H | 94.2 | Very high | 83 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -36.7 | -175.1 | -75.3 | -59.2 | 0 | 0 | 0 | 114.7 | C1783 D1785 P1809 T1810 V1812 | H1767-C1783 PolarHBondContact N-O 3.39Å; H1767-D1785 PolarHBondContact CD2-N 3.5Å; H1767-P1809 PolarHBondContact NE2-O 2.87Å; H1767-T1810 PolarHBondContact CE1-O 3.28Å; H1767-V1812 HydrophobicContact CB-CB 4Å; H1767-V1812 HydrophobicContact CB-CG2 3.88Å |
| 1768 | C | 95.2 | Very high | 83.1 | Confident | 21 Ų | 21 | 64.5 Ų | 64.5 | 14% | 0.142 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 148.1 | -172.1 | -143.9 | 0 | 0 | 0 | 0 | 112.6 | V1770 C1783 V1812 | C1768-V1770 HydrophobicContact CB-CG2 4.49Å; C1768-C1783 HydrophobicContact CB-CB 3.89Å; C1768-C1783 PolarHBondContact N-O 2.97Å; C1768-C1783 PolarHBondContact O-N 3.13Å; C1768-V1812 HydrophobicContact CB-CB 4.06Å; C1768-V1812 HydrophobicContact CB-CG1 4.13Å; C1768-V1812 PolarHBondContact SG-O 2.87Å |
| 1769 | I | 96.2 | Very high | 84 | Confident | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.051 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.4 | 165.4 | -62.6 | 160.1 | 0 | 0 | 0 | 105.6 | L1720 D1722 V1734 F1741 L1782 | L1720-I1769 HydrophobicContact CD1-CD1 4.22Å; L1720-I1769 HydrophobicContact CD1-CG1 4.15Å; L1720-I1769 HydrophobicContact CG-CD1 4.08Å; L1720-I1769 HydrophobicContact CG-CG1 4.49Å; D1722-I1769 HydrophobicContact CB-CB 4Å; D1722-I1769 HydrophobicContact CB-CD1 3.89Å; D1722-I1769 HydrophobicContact CB-CG2 3.84Å; V1734-I1769 HydrophobicContact CB-CD1 4.15Å; V1734-I1769 HydrophobicContact CB-CG2 4.41Å; V1734-I1769 HydrophobicContact CG1-CD1 3.83Å; V1734-I1769 HydrophobicContact CG1-CG1 4.27Å; V1734-I1769 HydrophobicContact CG1-CG2 4.25Å; V1734-I1769 WeakPolarHBondContact O-CD1 3.24Å; F1741-I1769 HydrophobicContact CD1-CD1 4.18Å; F1741-I1769 HydrophobicContact CD1-CG1 3.97Å; F1741-I1769 HydrophobicContact CE1-CD1 3.9Å; F1741-I1769 HydrophobicContact CE1-CG1 3.43Å; F1741-I1769 VanDerWaalsContact CE1-CG1 3.43Å; F1741-I1769 HydrophobicContact CZ-CG1 4.26Å; I1769-L1782 HydrophobicContact CG1-CD2 4.28Å; I1769-L1782 HydrophobicContact CG2-CD2 4.29Å |
| 1770 | V | 94.8 | Very high | 85.5 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 107.6 | -179.1 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | C1768 L1772 L1780 L1781 Y1814 L1820 | C1768-V1770 HydrophobicContact CB-CG2 4.49Å; V1770-L1772 HydrophobicContact CG1-CD2 4.29Å; V1770-L1772 PolarHBondContact O-N 3.2Å; V1770-L1780 CarbonylContact O-C 3.54Å; V1770-L1780 WeakPolarHBondContact O-CA 3.43Å; V1770-L1781 HydrophobicContact CB-CB 4.14Å; V1770-L1781 PolarHBondContact N-O 3.48Å; V1770-L1781 PolarHBondContact O-N 3.19Å; V1770-Y1814 HydrophobicContact CG1-CD1 3.83Å; V1770-Y1814 HydrophobicContact CG1-CD2 3.75Å; V1770-Y1814 HydrophobicContact CG1-CE1 4.22Å; V1770-Y1814 HydrophobicContact CG1-CE2 4.16Å; V1770-Y1814 HydrophobicContact CG1-CG 3.57Å; V1770-Y1814 HydrophobicContact CG2-CG 4.26Å; V1770-L1820 HydrophobicContact CG2-CD1 4.06Å |
| 1771 | V | 92.1 | Very high | 87.1 | Confident | 49 Ų | 49 | 51 Ų | 51 | 30% | 0.297 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 118.3 | 168.5 | -174 | 0 | 0 | 0 | 0 | 107.6 | L1780 | V1771-L1780 HydrophobicContact CB-CD2 4.24Å; V1771-L1780 HydrophobicContact CG1-CD2 4.31Å; V1771-L1780 HydrophobicContact CG2-CD2 3.81Å |
| 1772 | L | 91 | Very high | 88.9 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 133.2 | -174 | -68.5 | -175.1 | 0 | 0 | 0 | 111.3 | V1770 T1775 Q1779 L1781 Y1790 | V1770-L1772 HydrophobicContact CG1-CD2 4.29Å; V1770-L1772 PolarHBondContact O-N 3.2Å; L1772-T1775 HydrophobicContact CB-CG2 3.77Å; L1772-T1775 PolarHBondContact O-OG1 3.46Å; L1772-Q1779 HydrophobicContact CB-CB 4.3Å; L1772-Q1779 HydrophobicContact CD1-CB 4.01Å; L1772-Q1779 HydrophobicContact CG-CB 4.44Å; L1772-Q1779 PolarHBondContact N-O 3.29Å; L1772-L1781 HydrophobicContact CD2-CB 4.1Å; L1772-Y1790 HydrophobicContact CD1-CD1 3.96Å; L1772-Y1790 HydrophobicContact CD1-CE1 4.06Å; L1772-Y1790 HydrophobicContact CD2-CE1 4.48Å |
| 1773 | P | 86.3 | Confident | 90.4 | Very high | 70 Ų | 70 | 39.7 Ų | 39.7 | 46% | 0.455 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 154.8 | 177.8 | 29.8 | -37 | 0 | 0 | 0 | 110.9 | T1775 Y1814 | P1773-T1775 WeakPolarHBondContact O-CG2 3.36Å; P1773-T1775 PolarHBondContact O-N 3.48Å; P1773-T1775 VanDerWaalsContact O-N 3.1Å; P1773-Y1814 WeakPolarHBondContact CD-OH 3.45Å; P1773-Y1814 WeakPolarHBondContact CG-OH 3.24Å |
| 1774 | N | 84.7 | Confident | 91.3 | Very high | 170 Ų | 170 | 31.3 Ų | 31.3 | 91% | 0.909 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 9 | 179 | -45.2 | -36.3 | 0 | 0 | 0 | 115.6 | ||
| 1775 | T | 86.4 | Confident | 91.4 | Very high | 25 Ų | 25 | 31.8 Ų | 31.8 | 15% | 0.153 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 12.7 | -178.9 | 71.8 | 0 | 0 | 0 | 0 | 114.8 | L1772 P1773 G1777 M1778 Q1779 | L1772-T1775 HydrophobicContact CB-CG2 3.77Å; L1772-T1775 PolarHBondContact O-OG1 3.46Å; P1773-T1775 WeakPolarHBondContact O-CG2 3.36Å; P1773-T1775 PolarHBondContact O-N 3.48Å; P1773-T1775 VanDerWaalsContact O-N 3.1Å; T1775-G1777 PolarHBondContact O-N 2.81Å; T1775-G1777 VanDerWaalsContact O-N 3.15Å; T1775-M1778 VanDerWaalsContact O-CB 3.31Å; T1775-M1778 WeakPolarHBondContact O-CB 3.37Å; T1775-M1778 WeakPolarHBondContact O-CE 3.3Å; T1775-M1778 PolarHBondContact O-N 3.05Å; T1775-Q1779 HydrophobicContact CG2-CB 3.91Å; T1775-Q1779 HydrophobicContact CG2-CG 4.02Å; T1775-Q1779 PolarHBondContact OG1-N 3.04Å |
| 1776 | G | 82.5 | Confident | 91.2 | Very high | 12 Ų | 12 | 32 Ų | 32 | 12% | 0.124 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 22.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1727 M1778 | E1727-G1776 PolarHBondContact N-O 3.35Å; E1727-G1776 WeakPolarHBondContact OE1-CA 3.42Å; G1776-M1778 PolarHBondContact O-N 3.35Å |
| 1777 | G | 83 | Confident | 91 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 11% | 0.113 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 0.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1724 T1775 T1793 | T1724-G1777 PolarHBondContact OG1-O 3.11Å; T1775-G1777 PolarHBondContact O-N 2.81Å; T1775-G1777 VanDerWaalsContact O-N 3.15Å; G1777-T1793 VanDerWaalsContact O-CG2 3.25Å; G1777-T1793 WeakPolarHBondContact O-CG2 3.4Å |
| 1778 | M | 87.5 | Confident | 91 | Very high | 90 Ų | 90 | 31.2 Ų | 31.2 | 44% | 0.443 | 18% | 0.178 | S | C | . | . | trans | -81.9 | -22.4 | -172.3 | -59.6 | -175.5 | -76.3 | 0 | 0 | 114.3 | T1775 G1776 D1792 T1793 | T1775-M1778 VanDerWaalsContact O-CB 3.31Å; T1775-M1778 WeakPolarHBondContact O-CB 3.37Å; T1775-M1778 WeakPolarHBondContact O-CE 3.3Å; T1775-M1778 PolarHBondContact O-N 3.05Å; G1776-M1778 PolarHBondContact O-N 3.35Å; M1778-D1792 CarbonylContact O-C 3.38Å; M1778-D1792 WeakPolarHBondContact O-CA 3.23Å; M1778-T1793 PolarHBondContact O-N 2.89Å; M1778-T1793 VanDerWaalsContact O-N 3.1Å | ||
| 1779 | Q | 92.5 | Very high | 90.9 | Very high | 59 Ų | 59 | 30.3 Ų | 30.3 | 28% | 0.276 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 138 | 175.8 | -58.2 | -170.7 | 4.8 | 0 | 0 | 111.9 | L1772 T1775 V1791 T1798 | L1772-Q1779 HydrophobicContact CB-CB 4.3Å; L1772-Q1779 HydrophobicContact CD1-CB 4.01Å; L1772-Q1779 HydrophobicContact CG-CB 4.44Å; L1772-Q1779 PolarHBondContact N-O 3.29Å; T1775-Q1779 HydrophobicContact CG2-CB 3.91Å; T1775-Q1779 HydrophobicContact CG2-CG 4.02Å; T1775-Q1779 PolarHBondContact OG1-N 3.04Å; Q1779-V1791 WeakPolarHBondContact CA-O 3.24Å; Q1779-T1798 HydrophobicContact CG-CG2 4.16Å |
| 1780 | L | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.5 | -179 | -53.8 | 174.9 | 0 | 0 | 0 | 109.5 | V1734 L1754 V1770 V1771 L1782 Y1790 V1791 T1793 | V1734-L1780 HydrophobicContact CG2-CD1 3.9Å; L1754-L1780 HydrophobicContact CD2-CD1 3.94Å; V1770-L1780 CarbonylContact O-C 3.54Å; V1770-L1780 WeakPolarHBondContact O-CA 3.43Å; V1771-L1780 HydrophobicContact CB-CD2 4.24Å; V1771-L1780 HydrophobicContact CG1-CD2 4.31Å; V1771-L1780 HydrophobicContact CG2-CD2 3.81Å; L1780-L1782 HydrophobicContact CB-CD2 4.33Å; L1780-Y1790 WeakPolarHBondContact O-CA 3.13Å; L1780-V1791 HydrophobicContact CB-CG2 4Å; L1780-V1791 PolarHBondContact N-O 3.31Å; L1780-V1791 PolarHBondContact O-N 2.8Å; L1780-T1793 HydrophobicContact CD1-CG2 4.17Å; L1780-T1793 HydrophobicContact CG-CG2 4.26Å |
| 1781 | L | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.3 | 161.4 | 168 | 60.3 | 0 | 0 | 0 | 108 | V1770 L1772 V1789 Y1790 I1803 L1820 A1833 | V1770-L1781 HydrophobicContact CB-CB 4.14Å; V1770-L1781 PolarHBondContact N-O 3.48Å; V1770-L1781 PolarHBondContact O-N 3.19Å; L1772-L1781 HydrophobicContact CD2-CB 4.1Å; L1781-V1789 WeakPolarHBondContact CA-O 3.3Å; L1781-V1789 WeakPolarHBondContact CD1-O 3.33Å; L1781-Y1790 HydrophobicContact CB-CD1 3.94Å; L1781-Y1790 HydrophobicContact CB-CE1 3.87Å; L1781-Y1790 HydrophobicContact CD1-CD1 4.08Å; L1781-Y1790 HydrophobicContact CD1-CD2 4.5Å; L1781-Y1790 HydrophobicContact CD1-CE1 3.93Å; L1781-Y1790 HydrophobicContact CD1-CE2 4.36Å; L1781-Y1790 HydrophobicContact CD1-CG 4.38Å; L1781-Y1790 HydrophobicContact CD2-CE1 3.89Å; L1781-Y1790 HydrophobicContact CG-CD1 4.45Å; L1781-Y1790 HydrophobicContact CG-CE1 4.11Å; L1781-I1803 HydrophobicContact CD1-CD1 4.04Å; L1781-I1803 HydrophobicContact CD2-CD1 3.97Å; L1781-L1820 HydrophobicContact CD2-CD1 4.39Å; L1781-L1820 HydrophobicContact CD2-CD2 3.99Å; L1781-A1833 HydrophobicContact CD2-CB 4.49Å |
| 1782 | L | 96.2 | Very high | 91 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119 | -177.1 | -62 | 178.2 | 0 | 0 | 0 | 108.6 | V1734 F1741 L1754 I1769 L1780 G1788 V1789 V1791 | V1734-L1782 HydrophobicContact CG1-CD2 4.32Å; F1741-L1782 HydrophobicContact CB-CD1 3.84Å; F1741-L1782 HydrophobicContact CB-CD2 4.34Å; F1741-L1782 HydrophobicContact CD1-CD2 4Å; F1741-L1782 HydrophobicContact CD2-CB 3.67Å; F1741-L1782 HydrophobicContact CD2-CD1 3.86Å; F1741-L1782 HydrophobicContact CD2-CD2 4.07Å; F1741-L1782 HydrophobicContact CD2-CG 4.08Å; F1741-L1782 HydrophobicContact CE1-CD2 4.3Å; F1741-L1782 HydrophobicContact CE2-CB 3.69Å; F1741-L1782 HydrophobicContact CE2-CD2 4.39Å; F1741-L1782 HydrophobicContact CE2-CG 4.47Å; F1741-L1782 HydrophobicContact CG-CB 4.35Å; F1741-L1782 HydrophobicContact CG-CD1 3.96Å; F1741-L1782 HydrophobicContact CG-CD2 3.88Å; F1741-L1782 HydrophobicContact CG-CG 4.29Å; F1741-L1782 HydrophobicContact CZ-CB 4.36Å; F1741-L1782 HydrophobicContact CZ-CD2 4.48Å; L1754-L1782 HydrophobicContact CD2-CD1 4.12Å; I1769-L1782 HydrophobicContact CG1-CD2 4.28Å; I1769-L1782 HydrophobicContact CG2-CD2 4.29Å; L1780-L1782 HydrophobicContact CB-CD2 4.33Å; L1782-G1788 CarbonylContact O-C 3.57Å; L1782-G1788 VanDerWaalsContact O-CA 3.27Å; L1782-G1788 WeakPolarHBondContact O-CA 3.39Å; L1782-V1789 HydrophobicContact CB-CG2 3.97Å; L1782-V1789 PolarHBondContact N-O 2.89Å; L1782-V1789 PolarHBondContact O-N 3.4Å; L1782-V1791 HydrophobicContact CD1-CG1 4.34Å; L1782-V1791 HydrophobicContact CD1-CG2 3.49Å; L1782-V1791 VanDerWaalsContact CD1-CG2 3.49Å; L1782-V1791 HydrophobicContact CG-CG2 3.94Å |
| 1783 | C | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.2 | -173.8 | -59 | 0 | 0 | 0 | 0 | 112.1 | H1767 C1768 W1805 V1812 | H1767-C1783 PolarHBondContact N-O 3.39Å; C1768-C1783 HydrophobicContact CB-CB 3.89Å; C1768-C1783 PolarHBondContact N-O 2.97Å; C1768-C1783 PolarHBondContact O-N 3.13Å; C1783-W1805 HydrophobicContact CB-CZ2 4.46Å; C1783-V1812 HydrophobicContact CB-CB 4.38Å; C1783-V1812 HydrophobicContact CB-CG1 4.11Å; C1783-V1812 HydrophobicContact CB-CG2 4.48Å |
| 1784 | Y | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 179.4 | 167.4 | -55.2 | -78.4 | 0 | 0 | 0 | 111.5 | G1740 F1741 Y1755 P1757 I1764 T1765 P1766 E1787 W1805 | G1740-Y1784 WeakPolarHBondContact CA-OH 3.5Å; F1741-Y1784 HydrophobicContact CD2-CD1 4.49Å; F1741-Y1784 AromaticContact CD2-CE1 3.63Å; F1741-Y1784 HydrophobicContact CD2-CE1 3.63Å; F1741-Y1784 HydrophobicContact CD2-CE2 4.11Å; F1741-Y1784 AromaticContact CD2-CZ 3.42Å; F1741-Y1784 VanDerWaalsContact CD2-CZ 3.42Å; F1741-Y1784 VanDerWaalsContact CD2-OH 3.3Å; F1741-Y1784 WeakPolarHBondContact CD2-OH 3.46Å; F1741-Y1784 AromaticContact CE2-CD1 3.88Å; F1741-Y1784 HydrophobicContact CE2-CD1 3.88Å; F1741-Y1784 HydrophobicContact CE2-CD2 4.43Å; F1741-Y1784 AromaticContact CE2-CE1 3.46Å; F1741-Y1784 HydrophobicContact CE2-CE1 3.46Å; F1741-Y1784 VanDerWaalsContact CE2-CE1 3.46Å; F1741-Y1784 HydrophobicContact CE2-CE2 4.05Å; F1741-Y1784 HydrophobicContact CE2-CG 4.38Å; F1741-Y1784 AromaticContact CE2-CZ 3.57Å; F1741-Y1784 HydrophobicContact CZ-CE1 4.49Å; F1741-Y1784 PolarHBondContact N-OH 3.43Å; Y1755-Y1784 AromaticContact CD1-CE2 3.92Å; Y1755-Y1784 HydrophobicContact CD1-CE2 3.92Å; Y1755-Y1784 WeakPolarHBondContact CD1-OH 3Å; Y1755-Y1784 AromaticContact CE1-CE2 3.95Å; Y1755-Y1784 HydrophobicContact CE1-CE2 3.95Å; Y1755-Y1784 PolarHBondContact O-OH 3.24Å; Y1755-Y1784 VanDerWaalsContact O-OH 3.14Å; P1757-Y1784 WeakPolarHBondContact CD-OH 3.28Å; P1757-Y1784 HydrophobicContact CG-CE1 4.28Å; P1757-Y1784 HydrophobicContact CG-CE2 3.78Å; I1764-Y1784 HydrophobicContact CG2-CD1 3.36Å; I1764-Y1784 HydrophobicContact CG2-CE1 3.98Å; I1764-Y1784 HydrophobicContact CG2-CG 3.72Å; T1765-Y1784 CarbonylContact O-C 3.54Å; T1765-Y1784 VanDerWaalsContact O-CA 3.32Å; T1765-Y1784 WeakPolarHBondContact O-CA 3.4Å; P1766-Y1784 HydrophobicContact CB-CD1 4.11Å; P1766-Y1784 HydrophobicContact CB-CE1 4.33Å; Y1784-E1787 WeakPolarHBondContact CA-O 3.29Å; Y1784-E1787 WeakPolarHBondContact CB-O 3.4Å; Y1784-E1787 HydrophobicContact CD2-CG 3.9Å; Y1784-E1787 PolarHBondContact N-O 2.62Å; Y1784-W1805 PolarHBondContact O-NE1 2.85Å |
| 1785 | D | 89.6 | Confident | 91.4 | Very high | 18 Ų | 18 | 23.2 Ų | 23.2 | 10% | 0.096 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -68.1 | -32.4 | 167.3 | 48.6 | 3.4 | 0 | 0 | 0 | 113.3 | I1764 T1765 H1767 V1808 P1809 | I1764-D1785 WeakPolarHBondContact CG2-OD1 3.49Å; T1765-D1785 WeakPolarHBondContact CA-OD2 3.4Å; T1765-D1785 WeakPolarHBondContact CB-OD2 3.49Å; T1765-D1785 PolarHBondContact N-OD1 3.32Å; T1765-D1785 VanDerWaalsContact N-OD1 3.15Å; T1765-D1785 PolarHBondContact N-OD2 2.71Å; T1765-D1785 PolarHBondContact O-N 3.34Å; T1765-D1785 PolarHBondContact OG1-OD2 3.03Å; H1767-D1785 PolarHBondContact CD2-N 3.5Å; D1785-V1808 HydrophobicContact CB-CG1 3.88Å; D1785-P1809 WeakPolarHBondContact O-CD 3.29Å |
| 1786 | T | 86.9 | Confident | 91.7 | Very high | 70 Ų | 70 | 29.3 Ų | 29.3 | 43% | 0.429 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -90.3 | -48.5 | 178.9 | 47.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1787 | E | 90.9 | Very high | 92.2 | Very high | 38 Ų | 38 | 33.2 Ų | 33.2 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 164.9 | -172.7 | 69.2 | 177.3 | -159.4 | 0 | 0 | 114.1 | Y1755 Y1784 V1789 V1802 I1803 | Y1755-E1787 WeakPolarHBondContact CE1-OE1 3.5Å; Y1755-E1787 PolarHBondContact OH-OE1 2.79Å; Y1784-E1787 WeakPolarHBondContact CA-O 3.29Å; Y1784-E1787 WeakPolarHBondContact CB-O 3.4Å; Y1784-E1787 HydrophobicContact CD2-CG 3.9Å; Y1784-E1787 PolarHBondContact N-O 2.62Å; E1787-V1789 HydrophobicContact CG-CG1 4.1Å; E1787-V1789 WeakPolarHBondContact OE1-CG1 3.49Å; E1787-V1802 HydrophobicContact CB-CG1 3.7Å; E1787-V1802 HydrophobicContact CG-CG1 4.35Å; E1787-I1803 CarbonylContact C-O 3.39Å; E1787-I1803 VanDerWaalsContact CA-O 3.24Å; E1787-I1803 WeakPolarHBondContact CA-O 3.07Å |
| 1788 | G | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.6 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1782 I1803 | L1782-G1788 CarbonylContact O-C 3.57Å; L1782-G1788 VanDerWaalsContact O-CA 3.27Å; L1782-G1788 WeakPolarHBondContact O-CA 3.39Å; G1788-I1803 PolarHBondContact N-O 2.79Å; G1788-I1803 PolarHBondContact O-N 2.85Å |
| 1789 | V | 95 | Very high | 92.9 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143.4 | -171.6 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | Y1755 L1781 L1782 E1787 V1791 L1797 V1802 | Y1755-V1789 HydrophobicContact CD1-CG2 3.68Å; Y1755-V1789 HydrophobicContact CD2-CG2 4.45Å; Y1755-V1789 HydrophobicContact CE1-CB 4.35Å; Y1755-V1789 HydrophobicContact CE1-CG1 3.98Å; Y1755-V1789 HydrophobicContact CE1-CG2 3.66Å; Y1755-V1789 HydrophobicContact CE2-CG2 4.45Å; Y1755-V1789 HydrophobicContact CG-CG2 4.09Å; L1781-V1789 WeakPolarHBondContact CA-O 3.3Å; L1781-V1789 WeakPolarHBondContact CD1-O 3.33Å; L1782-V1789 HydrophobicContact CB-CG2 3.97Å; L1782-V1789 PolarHBondContact N-O 2.89Å; L1782-V1789 PolarHBondContact O-N 3.4Å; E1787-V1789 HydrophobicContact CG-CG1 4.1Å; E1787-V1789 WeakPolarHBondContact OE1-CG1 3.49Å; V1789-V1791 HydrophobicContact CG2-CG1 4.43Å; V1789-L1797 HydrophobicContact CB-CD2 4.37Å; V1789-V1802 HydrophobicContact CG1-CG1 4.15Å; V1789-V1802 HydrophobicContact CG1-CG2 4.33Å |
| 1790 | Y | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 115.9 | 178.6 | -67.3 | -78.2 | 0 | 0 | 0 | 110.6 | L1772 L1780 L1781 L1797 T1798 K1799 I1801 I1803 A1833 G1836 | L1772-Y1790 HydrophobicContact CD1-CD1 3.96Å; L1772-Y1790 HydrophobicContact CD1-CE1 4.06Å; L1772-Y1790 HydrophobicContact CD2-CE1 4.48Å; L1780-Y1790 WeakPolarHBondContact O-CA 3.13Å; L1781-Y1790 HydrophobicContact CB-CD1 3.94Å; L1781-Y1790 HydrophobicContact CB-CE1 3.87Å; L1781-Y1790 HydrophobicContact CD1-CD1 4.08Å; L1781-Y1790 HydrophobicContact CD1-CD2 4.5Å; L1781-Y1790 HydrophobicContact CD1-CE1 3.93Å; L1781-Y1790 HydrophobicContact CD1-CE2 4.36Å; L1781-Y1790 HydrophobicContact CD1-CG 4.38Å; L1781-Y1790 HydrophobicContact CD2-CE1 3.89Å; L1781-Y1790 HydrophobicContact CG-CD1 4.45Å; L1781-Y1790 HydrophobicContact CG-CE1 4.11Å; Y1790-L1797 CarbonylContact O-C 3.55Å; Y1790-L1797 VanDerWaalsContact O-CA 3.3Å; Y1790-L1797 WeakPolarHBondContact O-CA 3.46Å; Y1790-T1798 VanDerWaalsContact C-OG1 3.25Å; Y1790-T1798 PolarHBondContact O-N 2.82Å; Y1790-T1798 PolarHBondContact O-OG1 3.04Å; Y1790-K1799 HydrophobicContact CD1-CD 3.9Å; Y1790-K1799 HydrophobicContact CD2-CB 3.97Å; Y1790-K1799 HydrophobicContact CD2-CD 3.97Å; Y1790-K1799 HydrophobicContact CD2-CG 4.4Å; Y1790-K1799 HydrophobicContact CE1-CD 4.21Å; Y1790-K1799 HydrophobicContact CE2-CD 4.28Å; Y1790-K1799 HydrophobicContact CG-CB 4.05Å; Y1790-K1799 HydrophobicContact CG-CD 3.75Å; Y1790-K1799 HydrophobicContact CG-CG 4.11Å; Y1790-I1801 WeakPolarHBondContact CD2-O 3.38Å; Y1790-I1803 HydrophobicContact CE2-CD1 4.39Å; Y1790-I1803 HydrophobicContact CE2-CG1 4.34Å; Y1790-A1833 VanDerWaalsContact CE1-O 3.26Å; Y1790-A1833 WeakPolarHBondContact CE1-O 3.48Å; Y1790-A1833 PolarHBondContact OH-O 3Å; Y1790-G1836 PolarHBondContact OH-N 3.38Å; Y1790-G1836 VanDerWaalsContact OH-N 3.17Å |
| 1791 | V | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 169.9 | 177.9 | -60 | 0 | 0 | 0 | 0 | 112 | Y1755 Q1779 L1780 L1782 V1789 K1796 L1797 T1798 | Y1755-V1791 HydrophobicContact CD2-CG1 4.29Å; Y1755-V1791 HydrophobicContact CG-CG1 4.49Å; Q1779-V1791 WeakPolarHBondContact CA-O 3.24Å; L1780-V1791 HydrophobicContact CB-CG2 4Å; L1780-V1791 PolarHBondContact N-O 3.31Å; L1780-V1791 PolarHBondContact O-N 2.8Å; L1782-V1791 HydrophobicContact CD1-CG1 4.34Å; L1782-V1791 HydrophobicContact CD1-CG2 3.49Å; L1782-V1791 VanDerWaalsContact CD1-CG2 3.49Å; L1782-V1791 HydrophobicContact CG-CG2 3.94Å; V1789-V1791 HydrophobicContact CG2-CG1 4.43Å; V1791-K1796 CarbonylContact C-O 3.54Å; V1791-K1796 WeakPolarHBondContact CA-O 3.4Å; V1791-L1797 HydrophobicContact CG1-CD2 4.1Å; V1791-T1798 VanDerWaalsContact C-CG2 3.46Å; V1791-T1798 PolarHBondContact N-OG1 3.15Å; V1791-T1798 PolarHBondContact O-OG1 2.93Å |
| 1792 | D | 92.7 | Very high | 92.1 | Very high | 34 Ų | 34 | 45.6 Ų | 45.6 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 173.5 | 158.5 | 72.3 | 12.2 | 0 | 0 | 0 | 111.2 | M1778 N1794 G1795 K1796 T1798 | M1778-D1792 CarbonylContact O-C 3.38Å; M1778-D1792 WeakPolarHBondContact O-CA 3.23Å; D1792-N1794 PolarHBondContact O-N 3.32Å; D1792-N1794 VanDerWaalsContact OD1-C 3.26Å; D1792-N1794 VanDerWaalsContact OD1-CA 3.3Å; D1792-N1794 WeakPolarHBondContact OD1-CA 3.4Å; D1792-N1794 WeakPolarHBondContact OD1-CB 3.33Å; D1792-N1794 PolarHBondContact OD1-N 3.06Å; D1792-G1795 PolarHBondContact O-N 2.83Å; D1792-G1795 VanDerWaalsContact O-N 3.08Å; D1792-G1795 PolarHBondContact OD1-N 2.93Å; D1792-K1796 PolarHBondContact N-O 3.45Å; D1792-K1796 PolarHBondContact OD1-N 3.35Å; D1792-T1798 HydrophobicContact CB-CG2 3.73Å |
| 1793 | T | 89.9 | Confident | 92 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 4.6 | 176.4 | 50.1 | 0 | 0 | 0 | 0 | 115 | T1724 E1726 K1732 G1777 M1778 L1780 | T1724-T1793 HydrophobicContact CG2-CG2 3.83Å; E1726-T1793 HydrophobicContact CG-CG2 4.32Å; E1726-T1793 WeakPolarHBondContact OE1-CB 3.45Å; E1726-T1793 PolarHBondContact OE1-OG1 3.28Å; K1732-T1793 PolarHBondContact NZ-O 2.98Å; G1777-T1793 VanDerWaalsContact O-CG2 3.25Å; G1777-T1793 WeakPolarHBondContact O-CG2 3.4Å; M1778-T1793 PolarHBondContact O-N 2.89Å; M1778-T1793 VanDerWaalsContact O-N 3.1Å; L1780-T1793 HydrophobicContact CD1-CG2 4.17Å; L1780-T1793 HydrophobicContact CG-CG2 4.26Å |
| 1794 | N | 89.8 | Confident | 91.8 | Very high | 104 Ų | 104 | 52.4 Ų | 52.4 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | 1.7 | 173.5 | -50.5 | -56.8 | 0 | 0 | 0 | 112 | K1732 D1792 | K1732-N1794 PolarHBondContact NZ-OD1 2.82Å; D1792-N1794 PolarHBondContact O-N 3.32Å; D1792-N1794 VanDerWaalsContact OD1-C 3.26Å; D1792-N1794 VanDerWaalsContact OD1-CA 3.3Å; D1792-N1794 WeakPolarHBondContact OD1-CA 3.4Å; D1792-N1794 WeakPolarHBondContact OD1-CB 3.33Å; D1792-N1794 PolarHBondContact OD1-N 3.06Å |
| 1795 | G | 89.9 | Confident | 91.8 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | S | Bend | trans | 95.3 | -0.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1754 D1792 | L1754-G1795 VanDerWaalsContact CD1-N 3.34Å; L1754-G1795 WeakPolarHBondContact O-CA 3.49Å; D1792-G1795 PolarHBondContact O-N 2.83Å; D1792-G1795 VanDerWaalsContact O-N 3.08Å; D1792-G1795 PolarHBondContact OD1-N 2.93Å |
| 1796 | K | 92.6 | Very high | 91.8 | Very high | 153 Ų | 153 | 56.4 Ų | 56.4 | 67% | 0.665 | 31% | 0.312 | S | S | * | . | trans | -77.4 | 132.4 | 179.3 | -175.9 | -175.3 | 175.8 | -176.7 | 0 | 110.1 | V1791 D1792 T1798 | V1791-K1796 CarbonylContact C-O 3.54Å; V1791-K1796 WeakPolarHBondContact CA-O 3.4Å; D1792-K1796 PolarHBondContact N-O 3.45Å; D1792-K1796 PolarHBondContact OD1-N 3.35Å; K1796-T1798 PolarHBondContact O-N 2.85Å | ||
| 1797 | L | 93.7 | Very high | 92 | Very high | 94 Ų | 94 | 54.9 Ų | 54.9 | 49% | 0.492 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 124.9 | 173.2 | -70 | 169.6 | 0 | 0 | 0 | 111.1 | Y1755 V1789 Y1790 V1791 | Y1755-L1797 HydrophobicContact CE2-CD2 4.14Å; V1789-L1797 HydrophobicContact CB-CD2 4.37Å; Y1790-L1797 CarbonylContact O-C 3.55Å; Y1790-L1797 VanDerWaalsContact O-CA 3.3Å; Y1790-L1797 WeakPolarHBondContact O-CA 3.46Å; V1791-L1797 HydrophobicContact CG1-CD2 4.1Å |
| 1798 | T | 93.6 | Very high | 92 | Very high | 48 Ų | 48 | 57.7 Ų | 57.7 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -18.5 | -178.1 | 46.6 | 0 | 0 | 0 | 0 | 113.4 | Q1779 Y1790 V1791 D1792 K1796 | Q1779-T1798 HydrophobicContact CG-CG2 4.16Å; Y1790-T1798 VanDerWaalsContact C-OG1 3.25Å; Y1790-T1798 PolarHBondContact O-N 2.82Å; Y1790-T1798 PolarHBondContact O-OG1 3.04Å; V1791-T1798 VanDerWaalsContact C-CG2 3.46Å; V1791-T1798 PolarHBondContact N-OG1 3.15Å; V1791-T1798 PolarHBondContact O-OG1 2.93Å; D1792-T1798 HydrophobicContact CB-CG2 3.73Å; K1796-T1798 PolarHBondContact O-N 2.85Å |
| 1799 | K | 91.5 | Very high | 91.9 | Very high | 50 Ų | 50 | 57.9 Ų | 57.9 | 22% | 0.217 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 139.7 | 175.1 | -56.4 | 178.8 | -175.5 | 167.5 | 0 | 109.6 | Y1790 I1801 E1834 | Y1790-K1799 HydrophobicContact CD1-CD 3.9Å; Y1790-K1799 HydrophobicContact CD2-CB 3.97Å; Y1790-K1799 HydrophobicContact CD2-CD 3.97Å; Y1790-K1799 HydrophobicContact CD2-CG 4.4Å; Y1790-K1799 HydrophobicContact CE1-CD 4.21Å; Y1790-K1799 HydrophobicContact CE2-CD 4.28Å; Y1790-K1799 HydrophobicContact CG-CB 4.05Å; Y1790-K1799 HydrophobicContact CG-CD 3.75Å; Y1790-K1799 HydrophobicContact CG-CG 4.11Å; K1799-I1801 PolarHBondContact O-N 3.44Å; K1799-E1834 PolarHBondContact NZ-O 3.27Å |
| 1800 | N | 87.4 | Confident | 91.7 | Very high | 170 Ų | 170 | 60.9 Ų | 60.9 | 91% | 0.909 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 44.4 | 176.2 | -164.1 | 33.6 | 0 | 0 | 0 | 111.6 | ||
| 1801 | I | 88.1 | Confident | 91.5 | Very high | 85 Ų | 85 | 62.3 Ų | 62.3 | 44% | 0.436 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 130.6 | -177 | -60.4 | 177.2 | 0 | 0 | 0 | 106.9 | Y1790 K1799 | Y1790-I1801 WeakPolarHBondContact CD2-O 3.38Å; K1799-I1801 PolarHBondContact O-N 3.44Å |
| 1802 | V | 91.2 | Very high | 91.5 | Very high | 66 Ų | 66 | 62.8 Ų | 62.8 | 40% | 0.4 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 128.3 | 175.1 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | E1787 V1789 Q1804 | E1787-V1802 HydrophobicContact CB-CG1 3.7Å; E1787-V1802 HydrophobicContact CG-CG1 4.35Å; V1789-V1802 HydrophobicContact CG1-CG1 4.15Å; V1789-V1802 HydrophobicContact CG1-CG2 4.33Å; V1802-Q1804 PolarHBondContact O-N 2.96Å |
| 1803 | I | 94 | Very high | 91.5 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 100.2 | 175.3 | -60.6 | -177.2 | 0 | 0 | 0 | 107.9 | L1781 E1787 G1788 Y1790 W1805 L1820 | L1781-I1803 HydrophobicContact CD1-CD1 4.04Å; L1781-I1803 HydrophobicContact CD2-CD1 3.97Å; E1787-I1803 CarbonylContact C-O 3.39Å; E1787-I1803 VanDerWaalsContact CA-O 3.24Å; E1787-I1803 WeakPolarHBondContact CA-O 3.07Å; G1788-I1803 PolarHBondContact N-O 2.79Å; G1788-I1803 PolarHBondContact O-N 2.85Å; Y1790-I1803 HydrophobicContact CE2-CD1 4.39Å; Y1790-I1803 HydrophobicContact CE2-CG1 4.34Å; I1803-W1805 HydrophobicContact CG2-CD2 4.38Å; I1803-W1805 HydrophobicContact CG2-CE3 4.37Å; I1803-W1805 HydrophobicContact CG2-CH2 4.33Å; I1803-W1805 HydrophobicContact CG2-CZ2 4.31Å; I1803-W1805 HydrophobicContact CG2-CZ3 4.35Å; I1803-L1820 HydrophobicContact CD1-CD2 3.82Å |
| 1804 | Q | 92.2 | Very high | 91.7 | Very high | 142 Ų | 142 | 64.9 Ų | 64.9 | 66% | 0.664 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 123.3 | 168.6 | -68.7 | -177 | -18.1 | 0 | 0 | 110.1 | V1802 R1831 | V1802-Q1804 PolarHBondContact O-N 2.96Å; Q1804-R1831 VanDerWaalsContact O-CZ 3.25Å; Q1804-R1831 PolarHBondContact O-NH1 3.1Å; Q1804-R1831 PolarHBondContact O-NH2 2.84Å |
| 1805 | W | 92.9 | Very high | 91.8 | Very high | 28 Ų | 28 | 60 Ų | 60 | 11% | 0.106 | 33% | 0.332 | C | S | . | . | trans | -75.3 | 145.7 | 178.4 | -52.5 | 109 | 0 | 0 | 0 | 111.9 | C1783 Y1784 I1803 P1809 V1812 L1820 | C1783-W1805 HydrophobicContact CB-CZ2 4.46Å; Y1784-W1805 PolarHBondContact O-NE1 2.85Å; I1803-W1805 HydrophobicContact CG2-CD2 4.38Å; I1803-W1805 HydrophobicContact CG2-CE3 4.37Å; I1803-W1805 HydrophobicContact CG2-CH2 4.33Å; I1803-W1805 HydrophobicContact CG2-CZ2 4.31Å; I1803-W1805 HydrophobicContact CG2-CZ3 4.35Å; W1805-P1809 HydrophobicContact CD2-CG 4.02Å; W1805-P1809 HydrophobicContact CG-CG 4.04Å; W1805-P1809 HydrophobicContact CZ2-CG 4.49Å; W1805-V1812 HydrophobicContact CH2-CB 4.5Å; W1805-V1812 HydrophobicContact CH2-CG1 3.75Å; W1805-V1812 HydrophobicContact CH2-CG2 3.88Å; W1805-V1812 HydrophobicContact CZ2-CB 4.42Å; W1805-V1812 HydrophobicContact CZ2-CG1 3.94Å; W1805-V1812 HydrophobicContact CZ2-CG2 3.55Å; W1805-L1820 HydrophobicContact CH2-CD2 3.56Å; W1805-L1820 HydrophobicContact CH2-CG 4.1Å; W1805-L1820 HydrophobicContact CZ2-CD2 4.21Å; W1805-L1820 HydrophobicContact CZ3-CD2 4.44Å | ||
| 1806 | G | 90.2 | Very high | 91.7 | Very high | 73 Ų | 73 | 62.8 Ų | 62.8 | 75% | 0.753 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -87.5 | -30 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1829 | G1806-E1829 WeakPolarHBondContact CA-OE1 3.4Å; G1806-E1829 PolarHBondContact N-OE1 3.26Å |
| 1807 | E | 90.7 | Very high | 91.4 | Very high | 39 Ų | 39 | 58.5 Ų | 58.5 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -122.4 | 135.3 | 160.2 | -175.5 | 177.8 | -160.1 | 0 | 0 | 108.4 | P1809 L1825 K1826 A1827 E1829 | E1807-P1809 WeakPolarHBondContact O-CD 3.43Å; E1807-P1809 VanDerWaalsContact O-N 3.11Å; E1807-L1825 VanDerWaalsContact CD-N 3.3Å; E1807-L1825 VanDerWaalsContact OE1-CB 3.32Å; E1807-L1825 WeakPolarHBondContact OE1-CB 3.41Å; E1807-L1825 PolarHBondContact OE1-N 2.78Å; E1807-L1825 PolarHBondContact OE2-N 2.92Å; E1807-K1826 PolarHBondContact OE1-N 2.9Å; E1807-K1826 VanDerWaalsContact OE1-N 3.13Å; E1807-K1826 PolarHBondContact OE2-N 2.84Å; E1807-A1827 PolarHBondContact OE2-N 2.76Å; E1807-E1829 PolarHBondContact N-OE1 3.05Å |
| 1808 | V | 90.4 | Very high | 91.2 | Very high | 96 Ų | 96 | 55.3 Ų | 55.3 | 58% | 0.582 | 33% | 0.325 | S | S | * | . | trans | -56.1 | 116.9 | 175.8 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | D1785 | D1785-V1808 HydrophobicContact CB-CG1 3.88Š| ||
| 1809 | P | 92.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | trans | -72.1 | 144.2 | -176.1 | 29.8 | -34.4 | 0 | 0 | 0 | 110.5 | H1767 D1785 W1805 E1807 V1812 | H1767-P1809 PolarHBondContact NE2-O 2.87Å; D1785-P1809 WeakPolarHBondContact O-CD 3.29Å; W1805-P1809 HydrophobicContact CD2-CG 4.02Å; W1805-P1809 HydrophobicContact CG-CG 4.04Å; W1805-P1809 HydrophobicContact CZ2-CG 4.49Å; E1807-P1809 WeakPolarHBondContact O-CD 3.43Å; E1807-P1809 VanDerWaalsContact O-N 3.11Å; P1809-V1812 HydrophobicContact CB-CG2 3.85Å; P1809-V1812 HydrophobicContact CG-CG2 3.68Å | ||
| 1810 | T | 90.1 | Very high | 91.2 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 39% | 0.393 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -83.6 | -25.2 | 169.5 | 67.5 | 0 | 0 | 0 | 0 | 112 | H1767 W1823 L1825 F1850 | H1767-T1810 PolarHBondContact CE1-O 3.28Å; T1810-W1823 WeakPolarHBondContact CB-O 3.15Å; T1810-W1823 PolarHBondContact N-O 2.8Å; T1810-W1823 PolarHBondContact OG1-O 2.98Å; T1810-L1825 HydrophobicContact CG2-CD2 3.72Å; T1810-L1825 HydrophobicContact CG2-CG 4.35Å; T1810-F1850 PolarHBondContact OG1-O 3.13Å |
| 1811 | C | 91.9 | Very high | 91.6 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 157.1 | 167.1 | 58.2 | 0 | 0 | 0 | 0 | 110.5 | W1823 | C1811-W1823 WeakPolarHBondContact O-CB 3.27Å; C1811-W1823 PolarHBondContact O-N 2.97Å |
| 1812 | V | 95.1 | Very high | 91.9 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 129.2 | 177.3 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | H1767 C1768 C1783 W1805 P1809 L1820 L1821 | H1767-V1812 HydrophobicContact CB-CB 4Å; H1767-V1812 HydrophobicContact CB-CG2 3.88Å; C1768-V1812 HydrophobicContact CB-CB 4.06Å; C1768-V1812 HydrophobicContact CB-CG1 4.13Å; C1768-V1812 PolarHBondContact SG-O 2.87Å; C1783-V1812 HydrophobicContact CB-CB 4.38Å; C1783-V1812 HydrophobicContact CB-CG1 4.11Å; C1783-V1812 HydrophobicContact CB-CG2 4.48Å; W1805-V1812 HydrophobicContact CH2-CB 4.5Å; W1805-V1812 HydrophobicContact CH2-CG1 3.75Å; W1805-V1812 HydrophobicContact CH2-CG2 3.88Å; W1805-V1812 HydrophobicContact CZ2-CB 4.42Å; W1805-V1812 HydrophobicContact CZ2-CG1 3.94Å; W1805-V1812 HydrophobicContact CZ2-CG2 3.55Å; P1809-V1812 HydrophobicContact CB-CG2 3.85Å; P1809-V1812 HydrophobicContact CG-CG2 3.68Å; V1812-L1820 HydrophobicContact CG1-CD1 3.66Å; V1812-L1820 HydrophobicContact CG1-CD2 4.26Å; V1812-L1820 HydrophobicContact CG1-CG 3.8Å; V1812-L1821 CarbonylContact C-O 3.55Å; V1812-L1821 WeakPolarHBondContact CA-O 3.43Å |
| 1813 | A | 94.1 | Very high | 92 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 125.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1821 F1852 | A1813-L1821 PolarHBondContact N-O 3.4Å; A1813-L1821 PolarHBondContact O-N 2.93Å; A1813-F1852 HydrophobicContact CB-CB 4.05Å; A1813-F1852 HydrophobicContact CB-CD1 3.84Å; A1813-F1852 HydrophobicContact CB-CD2 3.64Å; A1813-F1852 HydrophobicContact CB-CE1 4.13Å; A1813-F1852 HydrophobicContact CB-CE2 3.94Å; A1813-F1852 HydrophobicContact CB-CG 3.57Å; A1813-F1852 HydrophobicContact CB-CZ 4.16Å |
| 1814 | Y | 93.5 | Very high | 91.9 | Very high | 76 Ų | 76 | 36.2 Ų | 36.2 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 136 | 166.9 | 176.3 | -110.5 | 0 | 0 | 0 | 110 | V1770 P1773 Q1819 A1833 | V1770-Y1814 HydrophobicContact CG1-CD1 3.83Å; V1770-Y1814 HydrophobicContact CG1-CD2 3.75Å; V1770-Y1814 HydrophobicContact CG1-CE1 4.22Å; V1770-Y1814 HydrophobicContact CG1-CE2 4.16Å; V1770-Y1814 HydrophobicContact CG1-CG 3.57Å; V1770-Y1814 HydrophobicContact CG2-CG 4.26Å; P1773-Y1814 WeakPolarHBondContact CD-OH 3.45Å; P1773-Y1814 WeakPolarHBondContact CG-OH 3.24Å; Y1814-Q1819 WeakPolarHBondContact CA-O 3.33Å; Y1814-Q1819 WeakPolarHBondContact CD2-O 3.08Å; Y1814-A1833 HydrophobicContact CD2-CB 3.77Å; Y1814-A1833 HydrophobicContact CE2-CB 3.61Å |
| 1815 | I | 91.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 158.4 | -175.7 | 52 | 159.9 | 0 | 0 | 0 | 112.3 | T1817 G1818 Q1819 L1821 F1852 E1855 V1860 L1877 | I1815-T1817 VanDerWaalsContact CD1-OG1 3.3Å; I1815-T1817 WeakPolarHBondContact CD1-OG1 3.3Å; I1815-T1817 PolarHBondContact O-N 3.24Å; I1815-G1818 PolarHBondContact O-N 2.94Å; I1815-Q1819 HydrophobicContact CD1-CB 4.08Å; I1815-Q1819 HydrophobicContact CG1-CB 3.99Å; I1815-Q1819 VanDerWaalsContact CG1-O 3.28Å; I1815-Q1819 WeakPolarHBondContact CG1-O 3.46Å; I1815-Q1819 PolarHBondContact N-O 3.37Å; I1815-L1821 HydrophobicContact CD1-CD1 3.87Å; I1815-L1821 HydrophobicContact CD1-CG 4.17Å; I1815-L1821 HydrophobicContact CG1-CD1 4.26Å; I1815-L1821 HydrophobicContact CG1-CG 4.36Å; I1815-L1821 HydrophobicContact CG2-CD1 3.96Å; I1815-F1852 HydrophobicContact CG2-CE2 4.1Å; I1815-E1855 WeakPolarHBondContact CA-OE2 3.42Å; I1815-E1855 HydrophobicContact CB-CG 4.35Å; I1815-E1855 WeakPolarHBondContact CB-OE2 3.4Å; I1815-E1855 HydrophobicContact CG2-CB 4.14Å; I1815-E1855 HydrophobicContact CG2-CG 4.02Å; I1815-V1860 HydrophobicContact CG2-CG2 4.22Å; I1815-L1877 HydrophobicContact CD1-CD1 3.6Å; I1815-L1877 HydrophobicContact CD1-CD2 4.12Å |
| 1816 | S | 87.5 | Confident | 91.7 | Very high | 80 Ų | 80 | 34.7 Ų | 34.7 | 56% | 0.559 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -16.3 | -170.6 | 65.6 | 0 | 0 | 0 | 0 | 115.7 | G1818 E1855 | S1816-G1818 PolarHBondContact O-N 3.32Å; S1816-E1855 WeakPolarHBondContact CB-OE1 3.41Å; S1816-E1855 PolarHBondContact N-OE2 3.15Å; S1816-E1855 PolarHBondContact OG-OE1 2.84Å; S1816-E1855 PolarHBondContact OG-OE2 2.87Å |
| 1817 | T | 86.9 | Confident | 91.8 | Very high | 64 Ų | 64 | 31.7 Ų | 31.7 | 39% | 0.393 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -2.1 | 172.7 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | I1815 Q1819 L1877 | I1815-T1817 VanDerWaalsContact CD1-OG1 3.3Å; I1815-T1817 WeakPolarHBondContact CD1-OG1 3.3Å; I1815-T1817 PolarHBondContact O-N 3.24Å; T1817-Q1819 PolarHBondContact OG1-OE1 2.8Å; T1817-L1877 HydrophobicContact CG2-CB 4.39Å; T1817-L1877 HydrophobicContact CG2-CD1 3.92Å |
| 1818 | G | 89.1 | Confident | 91.9 | Very high | 26 Ų | 26 | 30 Ų | 30 | 27% | 0.268 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 14.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | I1815 S1816 A1833 | I1815-G1818 PolarHBondContact O-N 2.94Å; S1816-G1818 PolarHBondContact O-N 3.32Å; G1818-A1833 WeakPolarHBondContact O-CB 3.24Å; G1818-A1833 PolarHBondContact O-N 3.27Å; G1818-A1833 VanDerWaalsContact O-N 3.07Å |
| 1819 | Q | 91.6 | Very high | 92 | Very high | 14 Ų | 14 | 26 Ų | 26 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 153.6 | -174.9 | -65.1 | 178.3 | -62.3 | 0 | 0 | 112.5 | Y1814 I1815 T1817 V1830 R1831 D1839 W1882 | Y1814-Q1819 WeakPolarHBondContact CA-O 3.33Å; Y1814-Q1819 WeakPolarHBondContact CD2-O 3.08Å; I1815-Q1819 HydrophobicContact CD1-CB 4.08Å; I1815-Q1819 HydrophobicContact CG1-CB 3.99Å; I1815-Q1819 VanDerWaalsContact CG1-O 3.28Å; I1815-Q1819 WeakPolarHBondContact CG1-O 3.46Å; I1815-Q1819 PolarHBondContact N-O 3.37Å; T1817-Q1819 PolarHBondContact OG1-OE1 2.8Å; Q1819-V1830 HydrophobicContact CB-CG1 4.32Å; Q1819-R1831 CarbonylContact C-O 3.54Å; Q1819-R1831 WeakPolarHBondContact CA-O 3.43Å; Q1819-D1839 PolarHBondContact NE2-OD2 3.2Å; Q1819-W1882 VanDerWaalsContact NE2-NE1 3.16Å |
| 1820 | L | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.7 | 178.6 | -165.7 | 75.6 | 0 | 0 | 0 | 108.6 | V1770 L1781 I1803 W1805 V1812 R1831 A1833 | V1770-L1820 HydrophobicContact CG2-CD1 4.06Å; L1781-L1820 HydrophobicContact CD2-CD1 4.39Å; L1781-L1820 HydrophobicContact CD2-CD2 3.99Å; I1803-L1820 HydrophobicContact CD1-CD2 3.82Å; W1805-L1820 HydrophobicContact CH2-CD2 3.56Å; W1805-L1820 HydrophobicContact CH2-CG 4.1Å; W1805-L1820 HydrophobicContact CZ2-CD2 4.21Å; W1805-L1820 HydrophobicContact CZ3-CD2 4.44Å; V1812-L1820 HydrophobicContact CG1-CD1 3.66Å; V1812-L1820 HydrophobicContact CG1-CD2 4.26Å; V1812-L1820 HydrophobicContact CG1-CG 3.8Å; L1820-R1831 HydrophobicContact CB-CB 4.42Å; L1820-R1831 PolarHBondContact N-O 2.82Å; L1820-R1831 PolarHBondContact O-N 2.81Å; L1820-A1833 HydrophobicContact CB-CB 4.23Å |
| 1821 | L | 94.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 113.3 | -179.9 | -62.2 | 176 | 0 | 0 | 0 | 109.8 | V1812 A1813 I1815 W1823 E1829 V1830 V1860 | V1812-L1821 CarbonylContact C-O 3.55Å; V1812-L1821 WeakPolarHBondContact CA-O 3.43Å; A1813-L1821 PolarHBondContact N-O 3.4Å; A1813-L1821 PolarHBondContact O-N 2.93Å; I1815-L1821 HydrophobicContact CD1-CD1 3.87Å; I1815-L1821 HydrophobicContact CD1-CG 4.17Å; I1815-L1821 HydrophobicContact CG1-CD1 4.26Å; I1815-L1821 HydrophobicContact CG1-CG 4.36Å; I1815-L1821 HydrophobicContact CG2-CD1 3.96Å; L1821-W1823 HydrophobicContact CB-CZ2 4.25Å; L1821-W1823 VanDerWaalsContact CB-NE1 3.3Å; L1821-W1823 HydrophobicContact CD1-CZ2 3.79Å; L1821-W1823 PolarHBondContact O-NE1 2.88Å; L1821-E1829 CarbonylContact C-O 3.58Å; L1821-E1829 VanDerWaalsContact CA-O 3.31Å; L1821-E1829 WeakPolarHBondContact CA-O 3.48Å; L1821-V1830 HydrophobicContact CD2-CB 4.11Å; L1821-V1830 HydrophobicContact CD2-CG1 3.88Å; L1821-V1830 HydrophobicContact CD2-CG2 3.67Å; L1821-V1860 HydrophobicContact CD1-CG1 4.44Å; L1821-V1860 HydrophobicContact CD1-CG2 4.22Å |
| 1822 | G | 94.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 118.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1828 E1829 | G1822-I1828 CarbonylContact O-C 3.59Å; G1822-I1828 WeakPolarHBondContact O-CA 3.44Å; G1822-E1829 PolarHBondContact N-O 2.84Å; G1822-E1829 PolarHBondContact O-N 3.15Å |
| 1823 | W | 93.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 91.9 | -168.9 | -61.7 | 80.5 | 0 | 0 | 0 | 112 | T1810 C1811 L1821 I1828 F1850 F1852 V1860 F1862 | T1810-W1823 WeakPolarHBondContact CB-O 3.15Å; T1810-W1823 PolarHBondContact N-O 2.8Å; T1810-W1823 PolarHBondContact OG1-O 2.98Å; C1811-W1823 WeakPolarHBondContact O-CB 3.27Å; C1811-W1823 PolarHBondContact O-N 2.97Å; L1821-W1823 HydrophobicContact CB-CZ2 4.25Å; L1821-W1823 VanDerWaalsContact CB-NE1 3.3Å; L1821-W1823 HydrophobicContact CD1-CZ2 3.79Å; L1821-W1823 PolarHBondContact O-NE1 2.88Å; W1823-I1828 HydrophobicContact CD2-CG1 4.47Å; W1823-I1828 HydrophobicContact CD2-CG2 3.95Å; W1823-I1828 HydrophobicContact CE3-CB 4.47Å; W1823-I1828 HydrophobicContact CE3-CD1 3.8Å; W1823-I1828 HydrophobicContact CE3-CG1 3.71Å; W1823-I1828 HydrophobicContact CE3-CG2 3.94Å; W1823-I1828 HydrophobicContact CG-CG2 4.48Å; W1823-I1828 HydrophobicContact CH2-CD1 4.17Å; W1823-I1828 HydrophobicContact CH2-CG2 4.35Å; W1823-I1828 HydrophobicContact CZ2-CG2 4.36Å; W1823-I1828 HydrophobicContact CZ3-CD1 3.4Å; W1823-I1828 VanDerWaalsContact CZ3-CD1 3.4Å; W1823-I1828 HydrophobicContact CZ3-CG1 3.88Å; W1823-I1828 HydrophobicContact CZ3-CG2 4.15Å; W1823-F1850 HydrophobicContact CE3-CB 3.71Å; W1823-F1850 HydrophobicContact CZ3-CB 4.28Å; W1823-F1852 HydrophobicContact CD2-CB 4.34Å; W1823-F1852 HydrophobicContact CZ2-CB 4.19Å; W1823-F1852 AromaticContact CZ2-CD2 3.87Å; W1823-F1852 HydrophobicContact CZ2-CD2 3.87Å; W1823-V1860 HydrophobicContact CH2-CG1 3.9Å; W1823-V1860 HydrophobicContact CZ2-CG1 3.84Å; W1823-F1862 HydrophobicContact CE3-CB 4.4Å; W1823-F1862 HydrophobicContact CH2-CB 3.5Å; W1823-F1862 VanDerWaalsContact CH2-CB 3.5Å; W1823-F1862 HydrophobicContact CH2-CD1 4.05Å; W1823-F1862 HydrophobicContact CH2-CD2 4.32Å; W1823-F1862 AromaticContact CH2-CG 3.74Å; W1823-F1862 HydrophobicContact CH2-CG 3.74Å; W1823-F1862 HydrophobicContact CZ2-CB 4.46Å; W1823-F1862 HydrophobicContact CZ3-CB 3.46Å; W1823-F1862 VanDerWaalsContact CZ3-CB 3.46Å; W1823-F1862 HydrophobicContact CZ3-CD1 4.24Å; W1823-F1862 AromaticContact CZ3-CD2 3.69Å; W1823-F1862 HydrophobicContact CZ3-CD2 3.69Å; W1823-F1862 HydrophobicContact CZ3-CE2 4.42Å; W1823-F1862 AromaticContact CZ3-CG 3.56Å; W1823-F1862 HydrophobicContact CZ3-CG 3.56Å |
| 1824 | G | 91.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | -80.4 | -172.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1827 F1850 | G1824-A1827 WeakPolarHBondContact CA-O 3.31Å; G1824-A1827 PolarHBondContact N-O 3.01Å; G1824-F1850 PolarHBondContact O-N 3.16Å | ||
| 1825 | L | 91 | Very high | 91.8 | Very high | 56 Ų | 56 | 29.5 Ų | 29.5 | 29% | 0.293 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -79.1 | -32.6 | 176 | -53.8 | 171.2 | 0 | 0 | 0 | 111.3 | E1807 T1810 E1847 Q1848 K1849 | E1807-L1825 VanDerWaalsContact CD-N 3.3Å; E1807-L1825 VanDerWaalsContact OE1-CB 3.32Å; E1807-L1825 WeakPolarHBondContact OE1-CB 3.41Å; E1807-L1825 PolarHBondContact OE1-N 2.78Å; E1807-L1825 PolarHBondContact OE2-N 2.92Å; T1810-L1825 HydrophobicContact CG2-CD2 3.72Å; T1810-L1825 HydrophobicContact CG2-CG 4.35Å; L1825-E1847 HydrophobicContact CB-CB 4.49Å; L1825-E1847 HydrophobicContact CB-CG 4.02Å; L1825-E1847 CarbonylContact O-C 3.57Å; L1825-E1847 VanDerWaalsContact O-CA 3.28Å; L1825-E1847 WeakPolarHBondContact O-CA 3.08Å; L1825-Q1848 PolarHBondContact O-N 2.71Å; L1825-K1849 HydrophobicContact CD2-CG 3.97Å; L1825-K1849 PolarHBondContact O-N 2.68Å |
| 1826 | K | 91.3 | Very high | 91.8 | Very high | 83 Ų | 83 | 30 Ų | 30 | 36% | 0.361 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -114.6 | -30.7 | -177.9 | -60.3 | 179.5 | -173.5 | 67.7 | 0 | 113.4 | E1807 H1844 E1847 | E1807-K1826 PolarHBondContact OE1-N 2.9Å; E1807-K1826 VanDerWaalsContact OE1-N 3.13Å; E1807-K1826 PolarHBondContact OE2-N 2.84Å; K1826-H1844 PolarHBondContact O-N 3Å; K1826-E1847 HydrophobicContact CD-CG 4.26Å; K1826-E1847 VanDerWaalsContact CE-OE1 3.23Å; K1826-E1847 WeakPolarHBondContact CE-OE1 3.47Å; K1826-E1847 HydrophobicContact CG-CG 3.54Å; K1826-E1847 IonicContact NZ-OE1 2.67Å; K1826-E1847 PolarHBondContact NZ-OE1 2.64Å |
| 1827 | A | 91.8 | Very high | 92 | Very high | 10 Ų | 10 | 32 Ų | 32 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 156.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1807 G1824 V1841 F1842 | E1807-A1827 PolarHBondContact OE2-N 2.76Å; G1824-A1827 WeakPolarHBondContact CA-O 3.31Å; G1824-A1827 PolarHBondContact N-O 3.01Å; A1827-V1841 HydrophobicContact CB-CG1 3.92Å; A1827-F1842 CarbonylContact C-O 3.59Å; A1827-F1842 WeakPolarHBondContact CA-O 3.33Å |
| 1828 | I | 92.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113 | 160.5 | -49.3 | 160.9 | 0 | 0 | 0 | 106.5 | G1822 W1823 V1841 F1842 F1850 | G1822-I1828 CarbonylContact O-C 3.59Å; G1822-I1828 WeakPolarHBondContact O-CA 3.44Å; W1823-I1828 HydrophobicContact CD2-CG1 4.47Å; W1823-I1828 HydrophobicContact CD2-CG2 3.95Å; W1823-I1828 HydrophobicContact CE3-CB 4.47Å; W1823-I1828 HydrophobicContact CE3-CD1 3.8Å; W1823-I1828 HydrophobicContact CE3-CG1 3.71Å; W1823-I1828 HydrophobicContact CE3-CG2 3.94Å; W1823-I1828 HydrophobicContact CG-CG2 4.48Å; W1823-I1828 HydrophobicContact CH2-CD1 4.17Å; W1823-I1828 HydrophobicContact CH2-CG2 4.35Å; W1823-I1828 HydrophobicContact CZ2-CG2 4.36Å; W1823-I1828 HydrophobicContact CZ3-CD1 3.4Å; W1823-I1828 VanDerWaalsContact CZ3-CD1 3.4Å; W1823-I1828 HydrophobicContact CZ3-CG1 3.88Å; W1823-I1828 HydrophobicContact CZ3-CG2 4.15Å; I1828-V1841 CarbonylContact O-C 3.56Å; I1828-V1841 WeakPolarHBondContact O-CA 3.3Å; I1828-F1842 HydrophobicContact CB-CB 4.24Å; I1828-F1842 HydrophobicContact CD1-CB 4.39Å; I1828-F1842 PolarHBondContact N-O 3.36Å; I1828-F1842 PolarHBondContact O-N 3.47Å; I1828-F1850 HydrophobicContact CD1-CB 4.38Å; I1828-F1850 HydrophobicContact CD1-CD1 4.18Å; I1828-F1850 HydrophobicContact CD1-CG 4.17Å; I1828-F1850 HydrophobicContact CG1-CB 4.1Å; I1828-F1850 HydrophobicContact CG1-CD2 4.15Å; I1828-F1850 HydrophobicContact CG1-CG 4.04Å |
| 1829 | E | 93.4 | Very high | 92.3 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 7% | 0.065 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 137.4 | 174.4 | -66.3 | -175.2 | -159.3 | 0 | 0 | 110.3 | G1806 E1807 L1821 G1822 R1831 L1838 V1841 | G1806-E1829 WeakPolarHBondContact CA-OE1 3.4Å; G1806-E1829 PolarHBondContact N-OE1 3.26Å; E1807-E1829 PolarHBondContact N-OE1 3.05Å; L1821-E1829 CarbonylContact C-O 3.58Å; L1821-E1829 VanDerWaalsContact CA-O 3.31Å; L1821-E1829 WeakPolarHBondContact CA-O 3.48Å; G1822-E1829 PolarHBondContact N-O 2.84Å; G1822-E1829 PolarHBondContact O-N 3.15Å; E1829-R1831 IonicContact OE2-CZ 3.5Å; E1829-R1831 VanDerWaalsContact OE2-CZ 3.27Å; E1829-R1831 IonicContact OE2-NE 3.27Å; E1829-R1831 PolarHBondContact OE2-NE 2.93Å; E1829-R1831 IonicContact OE2-NH2 3.04Å; E1829-R1831 PolarHBondContact OE2-NH2 2.85Å; E1829-L1838 HydrophobicContact CB-CD1 4.34Å; E1829-V1841 HydrophobicContact CG-CG1 4.49Å; E1829-V1841 HydrophobicContact CG-CG2 4.34Å |
| 1830 | V | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.5 | 173 | -168.4 | 0 | 0 | 0 | 0 | 107.5 | Q1819 L1821 D1839 G1840 F1842 W1882 | Q1819-V1830 HydrophobicContact CB-CG1 4.32Å; L1821-V1830 HydrophobicContact CD2-CB 4.11Å; L1821-V1830 HydrophobicContact CD2-CG1 3.88Å; L1821-V1830 HydrophobicContact CD2-CG2 3.67Å; V1830-D1839 HydrophobicContact CB-CB 4.27Å; V1830-D1839 HydrophobicContact CG1-CB 4.03Å; V1830-D1839 WeakPolarHBondContact O-CB 3.15Å; V1830-D1839 PolarHBondContact O-N 3.27Å; V1830-G1840 PolarHBondContact N-O 2.9Å; V1830-G1840 PolarHBondContact O-N 3.06Å; V1830-G1840 VanDerWaalsContact O-N 3.1Å; V1830-F1842 HydrophobicContact CG2-CD2 4.16Å; V1830-F1842 HydrophobicContact CG2-CE2 3.81Å; V1830-W1882 HydrophobicContact CB-CE3 4.49Å; V1830-W1882 HydrophobicContact CB-CH2 4.45Å; V1830-W1882 HydrophobicContact CB-CZ3 4.25Å; V1830-W1882 HydrophobicContact CG1-CD2 4.38Å; V1830-W1882 HydrophobicContact CG1-CE3 4.38Å; V1830-W1882 HydrophobicContact CG1-CH2 4.27Å; V1830-W1882 HydrophobicContact CG1-CZ2 4.21Å; V1830-W1882 HydrophobicContact CG1-CZ3 4.35Å; V1830-W1882 HydrophobicContact CG2-CH2 3.8Å; V1830-W1882 HydrophobicContact CG2-CZ2 4.48Å; V1830-W1882 HydrophobicContact CG2-CZ3 3.82Å |
| 1831 | R | 93.4 | Very high | 92 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 10% | 0.102 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 144.7 | 179.6 | -60 | -166.2 | -179.9 | -147.5 | 4.4 | 111.8 | Q1804 Q1819 L1820 E1829 A1833 H1837 L1838 | Q1804-R1831 VanDerWaalsContact O-CZ 3.25Å; Q1804-R1831 PolarHBondContact O-NH1 3.1Å; Q1804-R1831 PolarHBondContact O-NH2 2.84Å; Q1819-R1831 CarbonylContact C-O 3.54Å; Q1819-R1831 WeakPolarHBondContact CA-O 3.43Å; L1820-R1831 HydrophobicContact CB-CB 4.42Å; L1820-R1831 PolarHBondContact N-O 2.82Å; L1820-R1831 PolarHBondContact O-N 2.81Å; E1829-R1831 IonicContact OE2-CZ 3.5Å; E1829-R1831 VanDerWaalsContact OE2-CZ 3.27Å; E1829-R1831 IonicContact OE2-NE 3.27Å; E1829-R1831 PolarHBondContact OE2-NE 2.93Å; E1829-R1831 IonicContact OE2-NH2 3.04Å; E1829-R1831 PolarHBondContact OE2-NH2 2.85Å; R1831-A1833 PolarHBondContact O-N 3.48Å; R1831-H1837 CarbonylContact C-O 3.55Å; R1831-H1837 WeakPolarHBondContact CA-O 3.48Å; R1831-H1837 WeakPolarHBondContact CB-O 3.14Å; R1831-L1838 HydrophobicContact CG-CD1 3.94Å |
| 1832 | S | 92.6 | Very high | 91.7 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 17% | 0.168 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 115.5 | 169.4 | 168.5 | 0 | 0 | 0 | 0 | 109 | E1834 T1835 G1836 H1837 D1839 | S1832-E1834 PolarHBondContact O-N 3.02Å; S1832-T1835 WeakPolarHBondContact CB-OG1 3.33Å; S1832-T1835 PolarHBondContact O-N 3.47Å; S1832-T1835 PolarHBondContact OG-N 3.1Å; S1832-T1835 PolarHBondContact OG-OG1 2.99Å; S1832-G1836 WeakPolarHBondContact O-CA 3.24Å; S1832-G1836 PolarHBondContact O-N 3.18Å; S1832-H1837 PolarHBondContact N-O 3.01Å; S1832-D1839 WeakPolarHBondContact CA-OD2 3.4Å; S1832-D1839 WeakPolarHBondContact CB-OD1 3.33Å; S1832-D1839 VanDerWaalsContact N-CG 3.25Å; S1832-D1839 PolarHBondContact N-OD1 3.03Å; S1832-D1839 VanDerWaalsContact N-OD1 3.12Å; S1832-D1839 PolarHBondContact N-OD2 3.34Å; S1832-D1839 VanDerWaalsContact N-OD2 3.1Å |
| 1833 | A | 92.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -17.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1781 Y1790 Y1814 G1818 L1820 R1831 | L1781-A1833 HydrophobicContact CD2-CB 4.49Å; Y1790-A1833 VanDerWaalsContact CE1-O 3.26Å; Y1790-A1833 WeakPolarHBondContact CE1-O 3.48Å; Y1790-A1833 PolarHBondContact OH-O 3Å; Y1814-A1833 HydrophobicContact CD2-CB 3.77Å; Y1814-A1833 HydrophobicContact CE2-CB 3.61Å; G1818-A1833 WeakPolarHBondContact O-CB 3.24Å; G1818-A1833 PolarHBondContact O-N 3.27Å; G1818-A1833 VanDerWaalsContact O-N 3.07Å; L1820-A1833 HydrophobicContact CB-CB 4.23Å; R1831-A1833 PolarHBondContact O-N 3.48Å |
| 1834 | E | 90 | Very high | 90.9 | Very high | 141 Ų | 141 | 49.1 Ų | 49.1 | 66% | 0.659 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -37.7 | 176.8 | -175.3 | 168.2 | -166.9 | 0 | 0 | 113 | K1799 S1832 | K1799-E1834 PolarHBondContact NZ-O 3.27Å; S1832-E1834 PolarHBondContact O-N 3.02Å |
| 1835 | T | 90.4 | Very high | 90.5 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 43% | 0.429 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -19.4 | -174.1 | 64.1 | 0 | 0 | 0 | 0 | 114.3 | S1832 H1837 | S1832-T1835 WeakPolarHBondContact CB-OG1 3.33Å; S1832-T1835 PolarHBondContact O-N 3.47Å; S1832-T1835 PolarHBondContact OG-N 3.1Å; S1832-T1835 PolarHBondContact OG-OG1 2.99Å; T1835-H1837 PolarHBondContact O-N 3.33Å; T1835-H1837 VanDerWaalsContact OG1-CB 3.22Å; T1835-H1837 WeakPolarHBondContact OG1-CB 3.4Å; T1835-H1837 PolarHBondContact OG1-N 3.44Å |
| 1836 | G | 91.3 | Very high | 90.2 | Very high | 10 Ų | 10 | 63.8 Ų | 63.8 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | trans | 77.1 | -0.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1790 S1832 | Y1790-G1836 PolarHBondContact OH-N 3.38Å; Y1790-G1836 VanDerWaalsContact OH-N 3.17Å; S1832-G1836 WeakPolarHBondContact O-CA 3.24Å; S1832-G1836 PolarHBondContact O-N 3.18Å | ||
| 1837 | H | 91.7 | Very high | 90 | Very high | 122 Ų | 122 | 64.5 Ų | 64.5 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | trans | -61 | 150.4 | 179.9 | -175.6 | -92.3 | 0 | 0 | 0 | 112.3 | R1831 S1832 T1835 D1839 | R1831-H1837 CarbonylContact C-O 3.55Å; R1831-H1837 WeakPolarHBondContact CA-O 3.48Å; R1831-H1837 WeakPolarHBondContact CB-O 3.14Å; S1832-H1837 PolarHBondContact N-O 3.01Å; T1835-H1837 PolarHBondContact O-N 3.33Å; T1835-H1837 VanDerWaalsContact OG1-CB 3.22Å; T1835-H1837 WeakPolarHBondContact OG1-CB 3.4Å; T1835-H1837 PolarHBondContact OG1-N 3.44Å; H1837-D1839 IonicContact ND1-OD1 2.75Å; H1837-D1839 PolarHBondContact O-N 3.38Å | ||
| 1838 | L | 93.1 | Very high | 89.7 | Confident | 78 Ų | 78 | 65.5 Ų | 65.5 | 41% | 0.408 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 101.6 | 177 | -175.5 | 66.9 | 0 | 0 | 0 | 110.4 | E1829 R1831 V1841 | E1829-L1838 HydrophobicContact CB-CD1 4.34Å; R1831-L1838 HydrophobicContact CG-CD1 3.94Å; L1838-V1841 HydrophobicContact CD1-CG2 4.01Å; L1838-V1841 HydrophobicContact CD2-CG2 4.08Å; L1838-V1841 HydrophobicContact CG-CG2 4.34Å |
| 1839 | D | 90.7 | Very high | 89.4 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -25.1 | -177.5 | -65.4 | 7.7 | 0 | 0 | 0 | 112 | Q1819 V1830 S1832 H1837 W1882 | Q1819-D1839 PolarHBondContact NE2-OD2 3.2Å; V1830-D1839 HydrophobicContact CB-CB 4.27Å; V1830-D1839 HydrophobicContact CG1-CB 4.03Å; V1830-D1839 WeakPolarHBondContact O-CB 3.15Å; V1830-D1839 PolarHBondContact O-N 3.27Å; S1832-D1839 WeakPolarHBondContact CA-OD2 3.4Å; S1832-D1839 WeakPolarHBondContact CB-OD1 3.33Å; S1832-D1839 VanDerWaalsContact N-CG 3.25Å; S1832-D1839 PolarHBondContact N-OD1 3.03Å; S1832-D1839 VanDerWaalsContact N-OD1 3.12Å; S1832-D1839 PolarHBondContact N-OD2 3.34Å; S1832-D1839 VanDerWaalsContact N-OD2 3.1Å; H1837-D1839 IonicContact ND1-OD1 2.75Å; H1837-D1839 PolarHBondContact O-N 3.38Å; D1839-W1882 HydrophobicContact CB-CB 3.97Å; D1839-W1882 HydrophobicContact CB-CG 4.35Å |
| 1840 | G | 89.5 | Confident | 89.3 | Confident | 18 Ų | 18 | 71.5 Ų | 71.5 | 19% | 0.186 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174 | 169.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | V1830 | V1830-G1840 PolarHBondContact N-O 2.9Å; V1830-G1840 PolarHBondContact O-N 3.06Å; V1830-G1840 VanDerWaalsContact O-N 3.1Å |
| 1841 | V | 90.2 | Very high | 89.2 | Confident | 73 Ų | 73 | 74.2 Ų | 74.2 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 122.2 | 177.8 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | A1827 I1828 E1829 L1838 M1843 | A1827-V1841 HydrophobicContact CB-CG1 3.92Å; I1828-V1841 CarbonylContact O-C 3.56Å; I1828-V1841 WeakPolarHBondContact O-CA 3.3Å; E1829-V1841 HydrophobicContact CG-CG1 4.49Å; E1829-V1841 HydrophobicContact CG-CG2 4.34Å; L1838-V1841 HydrophobicContact CD1-CG2 4.01Å; L1838-V1841 HydrophobicContact CD2-CG2 4.08Å; L1838-V1841 HydrophobicContact CG-CG2 4.34Å; V1841-M1843 HydrophobicContact CG1-CB 4.49Å |
| 1842 | F | 88.3 | Confident | 89.2 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 20% | 0.197 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 88.9 | 171.2 | -61.8 | -79.9 | 0 | 0 | 0 | 110.7 | P1563 A1827 I1828 V1830 M1875 W1882 | P1563-F1842 HydrophobicContact CG-CE1 3.44Å; P1563-F1842 VanDerWaalsContact CG-CE1 3.44Å; P1563-F1842 HydrophobicContact CG-CE2 4.22Å; P1563-F1842 HydrophobicContact CG-CZ 3.25Å; A1827-F1842 CarbonylContact C-O 3.59Å; A1827-F1842 WeakPolarHBondContact CA-O 3.33Å; I1828-F1842 HydrophobicContact CB-CB 4.24Å; I1828-F1842 HydrophobicContact CD1-CB 4.39Å; I1828-F1842 PolarHBondContact N-O 3.36Å; I1828-F1842 PolarHBondContact O-N 3.47Å; V1830-F1842 HydrophobicContact CG2-CD2 4.16Å; V1830-F1842 HydrophobicContact CG2-CE2 3.81Å; F1842-M1875 HydrophobicContact CD2-CE 3.95Å; F1842-M1875 HydrophobicContact CE1-CE 4.44Å; F1842-M1875 HydrophobicContact CE2-CE 3.5Å; F1842-M1875 VanDerWaalsContact CE2-CE 3.5Å; F1842-M1875 HydrophobicContact CZ-CE 3.79Å; F1842-W1882 AromaticContact CE2-CH2 3.45Å; F1842-W1882 HydrophobicContact CE2-CH2 3.45Å; F1842-W1882 VanDerWaalsContact CE2-CH2 3.45Å; F1842-W1882 AromaticContact CE2-CZ3 3.44Å; F1842-W1882 HydrophobicContact CE2-CZ3 3.44Å; F1842-W1882 VanDerWaalsContact CE2-CZ3 3.44Å; F1842-W1882 AromaticContact CZ-CH2 3.62Å; F1842-W1882 HydrophobicContact CZ-CH2 3.62Å; F1842-W1882 AromaticContact CZ-CZ3 3.51Å; F1842-W1882 HydrophobicContact CZ-CZ3 3.51Å |
| 1843 | M | 85.1 | Confident | 89.3 | Confident | 152 Ų | 152 | 74.9 Ų | 74.9 | 75% | 0.749 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 132.6 | 177.2 | -178.9 | 172.4 | 51.7 | 0 | 0 | 111.9 | V1841 | V1841-M1843 HydrophobicContact CG1-CB 4.49Å |
| 1844 | H | 84.7 | Confident | 89.3 | Confident | 73 Ų | 73 | 75.5 Ų | 75.5 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | trans | -107 | 142.2 | 169.8 | -176.4 | -94.7 | 0 | 0 | 0 | 111.6 | K1826 R1846 Q1848 F1850 | K1826-H1844 PolarHBondContact O-N 3Å; H1844-R1846 PolarHBondContact ND1-N 2.96Å; H1844-R1846 PolarHBondContact ND1-O 3.33Å; H1844-R1846 PolarHBondContact O-N 3.4Å; H1844-Q1848 PolarHBondContact CD2-NE2 2.94Å; H1844-Q1848 PolarHBondContact CE1-NE2 3.38Å; H1844-Q1848 VanDerWaalsContact CG-NE2 3.27Å; H1844-Q1848 PolarHBondContact ND1-NE2 3.17Å; H1844-Q1848 VanDerWaalsContact ND1-NE2 3.18Å; H1844-Q1848 PolarHBondContact NE2-NE2 2.98Å; H1844-Q1848 VanDerWaalsContact NE2-NE2 3.16Å; H1844-F1850 HydrophobicContact CB-CE2 4.25Å; H1844-F1850 HydrophobicContact CB-CZ 3.85Å | ||
| 1845 | K | 83.3 | Confident | 89.4 | Confident | 207 Ų | 207 | 71.1 Ų | 71.1 | 90% | 0.9 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -62.3 | -3.9 | -174.5 | -64.1 | -171.8 | 177.5 | -175.4 | 0 | 116.1 | ||
| 1846 | R | 85 | Confident | 89.2 | Confident | 160 Ų | 160 | 71.4 Ų | 71.4 | 60% | 0.604 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -151.8 | 151.6 | -179.5 | -68 | -175.9 | 174.3 | 153.4 | -2.9 | 108.3 | H1844 Q1848 | H1844-R1846 PolarHBondContact ND1-N 2.96Å; H1844-R1846 PolarHBondContact ND1-O 3.33Å; H1844-R1846 PolarHBondContact O-N 3.4Å; R1846-Q1848 PolarHBondContact O-N 3.13Å |
| 1847 | E | 86.7 | Confident | 88.8 | Confident | 98 Ų | 98 | 77 Ų | 77 | 46% | 0.458 | 36% | 0.362 | S | S | . | . | trans | -58 | 135.5 | 175.6 | -68.6 | 162.2 | -159.6 | 0 | 0 | 111.6 | L1825 K1826 | L1825-E1847 HydrophobicContact CB-CB 4.49Å; L1825-E1847 HydrophobicContact CB-CG 4.02Å; L1825-E1847 CarbonylContact O-C 3.57Å; L1825-E1847 VanDerWaalsContact O-CA 3.28Å; L1825-E1847 WeakPolarHBondContact O-CA 3.08Å; K1826-E1847 HydrophobicContact CD-CG 4.26Å; K1826-E1847 VanDerWaalsContact CE-OE1 3.23Å; K1826-E1847 WeakPolarHBondContact CE-OE1 3.47Å; K1826-E1847 HydrophobicContact CG-CG 3.54Å; K1826-E1847 IonicContact NZ-OE1 2.67Å; K1826-E1847 PolarHBondContact NZ-OE1 2.64Å | ||
| 1848 | Q | 86.4 | Confident | 88.4 | Confident | 30 Ų | 30 | 74.5 Ų | 74.5 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | trans | -130.7 | 6.3 | 172.6 | -51.3 | -163.7 | 2.1 | 0 | 0 | 113.6 | L1825 H1844 R1846 F1850 N1864 T1865 | L1825-Q1848 PolarHBondContact O-N 2.71Å; H1844-Q1848 PolarHBondContact CD2-NE2 2.94Å; H1844-Q1848 PolarHBondContact CE1-NE2 3.38Å; H1844-Q1848 VanDerWaalsContact CG-NE2 3.27Å; H1844-Q1848 PolarHBondContact ND1-NE2 3.17Å; H1844-Q1848 VanDerWaalsContact ND1-NE2 3.18Å; H1844-Q1848 PolarHBondContact NE2-NE2 2.98Å; H1844-Q1848 VanDerWaalsContact NE2-NE2 3.16Å; R1846-Q1848 PolarHBondContact O-N 3.13Å; Q1848-F1850 HydrophobicContact CB-CD1 4.34Å; Q1848-F1850 HydrophobicContact CB-CE1 3.85Å; Q1848-F1850 HydrophobicContact CB-CE2 4.06Å; Q1848-F1850 HydrophobicContact CB-CZ 3.71Å; Q1848-F1850 HydrophobicContact CG-CE1 4.25Å; Q1848-F1850 HydrophobicContact CG-CE2 4.44Å; Q1848-F1850 HydrophobicContact CG-CZ 3.84Å; Q1848-F1850 PolarHBondContact O-N 3.4Å; Q1848-N1864 HydrophobicContact CB-CB 4.05Å; Q1848-N1864 CarbonylContact O-C 3.51Å; Q1848-N1864 VanDerWaalsContact OE1-CG 3.29Å; Q1848-N1864 PolarHBondContact OE1-OD1 3.33Å; Q1848-T1865 CarbonylContact C-O 3.54Å; Q1848-T1865 CarbonylContact O-C 3.41Å; Q1848-T1865 PolarHBondContact O-N 3.07Å; Q1848-T1865 VanDerWaalsContact O-O 3.12Å | ||
| 1849 | K | 86.6 | Confident | 88.1 | Confident | 130 Ų | 130 | 73.9 Ų | 73.9 | 57% | 0.565 | 35% | 0.347 | S | S | * | . | trans | 45.2 | 64.3 | -179.7 | -63.8 | -168.4 | 172.5 | -170.5 | 0 | 111.9 | L1825 | L1825-K1849 HydrophobicContact CD2-CG 3.97Å; L1825-K1849 PolarHBondContact O-N 2.68Å | ||
| 1850 | F | 91.1 | Very high | 88.2 | Confident | 13 Ų | 13 | 72.5 Ų | 72.5 | 6% | 0.057 | 34% | 0.34 | C | S | . | . | trans | -69.6 | 139 | -177.9 | -56.3 | -80.3 | 0 | 0 | 0 | 110.2 | T1810 W1823 G1824 I1828 H1844 Q1848 F1862 N1864 | T1810-F1850 PolarHBondContact OG1-O 3.13Å; W1823-F1850 HydrophobicContact CE3-CB 3.71Å; W1823-F1850 HydrophobicContact CZ3-CB 4.28Å; G1824-F1850 PolarHBondContact O-N 3.16Å; I1828-F1850 HydrophobicContact CD1-CB 4.38Å; I1828-F1850 HydrophobicContact CD1-CD1 4.18Å; I1828-F1850 HydrophobicContact CD1-CG 4.17Å; I1828-F1850 HydrophobicContact CG1-CB 4.1Å; I1828-F1850 HydrophobicContact CG1-CD2 4.15Å; I1828-F1850 HydrophobicContact CG1-CG 4.04Å; H1844-F1850 HydrophobicContact CB-CE2 4.25Å; H1844-F1850 HydrophobicContact CB-CZ 3.85Å; Q1848-F1850 HydrophobicContact CB-CD1 4.34Å; Q1848-F1850 HydrophobicContact CB-CE1 3.85Å; Q1848-F1850 HydrophobicContact CB-CE2 4.06Å; Q1848-F1850 HydrophobicContact CB-CZ 3.71Å; Q1848-F1850 HydrophobicContact CG-CE1 4.25Å; Q1848-F1850 HydrophobicContact CG-CE2 4.44Å; Q1848-F1850 HydrophobicContact CG-CZ 3.84Å; Q1848-F1850 PolarHBondContact O-N 3.4Å; F1850-F1862 HydrophobicContact CD1-CD2 4.21Å; F1850-F1862 AromaticContact CD1-CE2 3.92Å; F1850-F1862 HydrophobicContact CD1-CE2 3.92Å; F1850-F1862 HydrophobicContact CE1-CE2 4.33Å; F1850-N1864 HydrophobicContact CD1-CB 3.69Å; F1850-N1864 HydrophobicContact CE1-CB 3.98Å | ||
| 1851 | K | 90.9 | Very high | 88.3 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 24% | 0.243 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 123.9 | -176 | 171.8 | -177.5 | 178.3 | -173.4 | 0 | 110.6 | I1576 L1577 F1862 S1863 | I1576-K1851 PolarHBondContact O-NZ 3.41Å; L1577-K1851 VanDerWaalsContact O-CE 3.27Å; L1577-K1851 WeakPolarHBondContact O-CE 3.28Å; L1577-K1851 PolarHBondContact O-NZ 2.94Å; K1851-F1862 CarbonylContact O-C 3.58Å; K1851-F1862 VanDerWaalsContact O-CA 3.31Å; K1851-F1862 WeakPolarHBondContact O-CA 3.43Å; K1851-F1862 WeakPolarHBondContact O-CB 3.49Å; K1851-S1863 PolarHBondContact N-O 3.12Å; K1851-S1863 PolarHBondContact O-N 3.02Å; K1851-S1863 PolarHBondContact O-OG 3.37Å |
| 1852 | F | 93.9 | Very high | 88.5 | Confident | 52 Ų | 52 | 68.3 Ų | 68.3 | 23% | 0.228 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 139.9 | 173.5 | -177.3 | -99.5 | 0 | 0 | 0 | 111.2 | A1813 I1815 W1823 E1855 V1860 | A1813-F1852 HydrophobicContact CB-CB 4.05Å; A1813-F1852 HydrophobicContact CB-CD1 3.84Å; A1813-F1852 HydrophobicContact CB-CD2 3.64Å; A1813-F1852 HydrophobicContact CB-CE1 4.13Å; A1813-F1852 HydrophobicContact CB-CE2 3.94Å; A1813-F1852 HydrophobicContact CB-CG 3.57Å; A1813-F1852 HydrophobicContact CB-CZ 4.16Å; I1815-F1852 HydrophobicContact CG2-CE2 4.1Å; W1823-F1852 HydrophobicContact CD2-CB 4.34Å; W1823-F1852 HydrophobicContact CZ2-CB 4.19Å; W1823-F1852 AromaticContact CZ2-CD2 3.87Å; W1823-F1852 HydrophobicContact CZ2-CD2 3.87Å; F1852-E1855 HydrophobicContact CE2-CB 4.14Å; F1852-E1855 HydrophobicContact CZ-CB 3.95Å; F1852-V1860 HydrophobicContact CD2-CG1 3.98Å; F1852-V1860 HydrophobicContact CE2-CG1 4Å |
| 1853 | L | 93.7 | Very high | 88.7 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | -57.4 | 174.9 | -60.3 | 175.8 | 0 | 0 | 0 | 111.8 | I1576 A1579 F1861 V1872 | I1576-L1853 HydrophobicContact CG2-CD1 4.06Å; I1576-L1853 HydrophobicContact CG2-CD2 3.57Å; I1576-L1853 HydrophobicContact CG2-CG 4.49Å; A1579-L1853 HydrophobicContact CB-CB 3.75Å; A1579-L1853 HydrophobicContact CB-CD1 4.31Å; A1579-L1853 HydrophobicContact CB-CG 4.45Å; L1853-F1861 WeakPolarHBondContact CA-O 3.14Å; L1853-F1861 WeakPolarHBondContact CB-O 3.33Å; L1853-F1861 PolarHBondContact N-O 3.39Å; L1853-V1872 HydrophobicContact CD1-CG1 4.47Å; L1853-V1872 HydrophobicContact CD1-CG2 4.04Å |
| 1854 | C | 93.6 | Very high | 88.8 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 10% | 0.095 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 164.1 | 173 | 64.7 | 0 | 0 | 0 | 0 | 111.6 | L1586 F1861 | L1586-C1854 VanDerWaalsContact CD1-SG 3.52Å; C1854-F1861 PolarHBondContact N-O 3.21Å; C1854-F1861 PolarHBondContact O-N 2.8Å |
| 1855 | E | 91.5 | Very high | 88.9 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 23% | 0.234 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.3 | 173 | -174.6 | -118.5 | 125.1 | 0 | 0 | 109.4 | I1815 S1816 F1852 K1859 V1860 | I1815-E1855 WeakPolarHBondContact CA-OE2 3.42Å; I1815-E1855 HydrophobicContact CB-CG 4.35Å; I1815-E1855 WeakPolarHBondContact CB-OE2 3.4Å; I1815-E1855 HydrophobicContact CG2-CB 4.14Å; I1815-E1855 HydrophobicContact CG2-CG 4.02Å; S1816-E1855 WeakPolarHBondContact CB-OE1 3.41Å; S1816-E1855 PolarHBondContact N-OE2 3.15Å; S1816-E1855 PolarHBondContact OG-OE1 2.84Å; S1816-E1855 PolarHBondContact OG-OE2 2.87Å; F1852-E1855 HydrophobicContact CE2-CB 4.14Å; F1852-E1855 HydrophobicContact CZ-CB 3.95Å; E1855-K1859 WeakPolarHBondContact CA-O 3.18Å; E1855-V1860 HydrophobicContact CB-CG2 4.42Å; E1855-V1860 HydrophobicContact CG-CG2 4Å |
| 1856 | R | 86.8 | Confident | 88.7 | Confident | 76 Ų | 76 | 54.9 Ų | 54.9 | 29% | 0.287 | 25% | 0.247 | S | C | . | . | trans | -162.4 | 133.9 | 168.7 | -168.3 | 167.6 | -177 | 171.6 | -1.9 | 111.2 | M1581 E1621 K1859 | M1581-R1856 HydrophobicContact CB-CB 4.35Å; M1581-R1856 HydrophobicContact CG-CB 3.95Å; M1581-R1856 HydrophobicContact SD-CB 3.86Å; M1581-R1856 HydrophobicContact SD-CG 4.32Å; E1621-R1856 IonicContact OE1-CZ 2.6Å; E1621-R1856 IonicContact OE1-NH1 3.8Å; E1621-R1856 PolarHBondContact OE1-NH1 3.22Å; E1621-R1856 IonicContact OE1-NH2 3.01Å; E1621-R1856 PolarHBondContact OE1-NH2 3.02Å; E1621-R1856 IonicContact OE2-CZ 2.75Å; E1621-R1856 IonicContact OE2-NH1 3.62Å; E1621-R1856 PolarHBondContact OE2-NH1 3.17Å; E1621-R1856 IonicContact OE2-NH2 3.84Å; E1621-R1856 PolarHBondContact OE2-NH2 2.95Å; R1856-K1859 PolarHBondContact N-O 2.62Å; R1856-K1859 PolarHBondContact O-N 3.11Å | ||
| 1857 | N | 82.6 | Confident | 88.2 | Confident | 127 Ų | 127 | 52.5 Ų | 52.5 | 68% | 0.679 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 54 | 61.9 | 176 | -56.1 | 1.2 | 0 | 0 | 0 | 112.4 | K1859 | N1857-K1859 PolarHBondContact O-N 3.37Å; N1857-K1859 VanDerWaalsContact O-N 3.11Å |
| 1858 | D | 83.1 | Confident | 87.9 | Confident | 69 Ų | 69 | 49.8 Ų | 49.8 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 58.6 | 22.4 | 177.6 | -41.6 | -35.1 | 0 | 0 | 0 | 113.9 | L1877 | D1858-L1877 WeakPolarHBondContact O-CB 2.97Å; D1858-L1877 PolarHBondContact O-N 2.92Å |
| 1859 | K | 87.1 | Confident | 87.8 | Confident | 66 Ų | 66 | 51.4 Ų | 51.4 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 123.1 | -175.9 | -69.8 | 180 | 176.9 | -163.5 | 0 | 111.7 | E1855 R1856 N1857 F1861 M1874 M1875 T1876 | E1855-K1859 WeakPolarHBondContact CA-O 3.18Å; R1856-K1859 PolarHBondContact N-O 2.62Å; R1856-K1859 PolarHBondContact O-N 3.11Å; N1857-K1859 PolarHBondContact O-N 3.37Å; N1857-K1859 VanDerWaalsContact O-N 3.11Å; K1859-F1861 HydrophobicContact CB-CE2 4.29Å; K1859-M1874 HydrophobicContact CB-CG 4.37Å; K1859-M1874 HydrophobicContact CD-CE 4.35Å; K1859-M1874 HydrophobicContact CD-SD 3.84Å; K1859-M1874 HydrophobicContact CG-SD 4.48Å; K1859-M1875 WeakPolarHBondContact CA-O 3.19Å; K1859-T1876 WeakPolarHBondContact CE-OG1 3.34Å; K1859-T1876 HydrophobicContact CG-CG2 4.23Å |
| 1860 | V | 91.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 126.1 | 177.8 | 173.1 | 0 | 0 | 0 | 0 | 109.2 | I1815 L1821 W1823 F1852 E1855 M1874 M1875 L1877 | I1815-V1860 HydrophobicContact CG2-CG2 4.22Å; L1821-V1860 HydrophobicContact CD1-CG1 4.44Å; L1821-V1860 HydrophobicContact CD1-CG2 4.22Å; W1823-V1860 HydrophobicContact CH2-CG1 3.9Å; W1823-V1860 HydrophobicContact CZ2-CG1 3.84Å; F1852-V1860 HydrophobicContact CD2-CG1 3.98Å; F1852-V1860 HydrophobicContact CE2-CG1 4Å; E1855-V1860 HydrophobicContact CB-CG2 4.42Å; E1855-V1860 HydrophobicContact CG-CG2 4Å; V1860-M1874 CarbonylContact O-C 3.59Å; V1860-M1874 WeakPolarHBondContact O-CA 3.07Å; V1860-M1875 HydrophobicContact CB-CB 4.43Å; V1860-M1875 PolarHBondContact N-O 2.83Å; V1860-M1875 PolarHBondContact O-N 3.29Å; V1860-L1877 HydrophobicContact CG2-CD1 3.9Å; V1860-L1877 HydrophobicContact CG2-CD2 4.23Å; V1860-L1877 HydrophobicContact CG2-CG 4.2Å |
| 1861 | F | 92.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.3 | 170.6 | -64.5 | -86.8 | 0 | 0 | 0 | 109.4 | Y1568 M1581 L1586 L1853 C1854 K1859 V1872 S1873 M1874 | Y1568-F1861 HydrophobicContact CD2-CE1 4.18Å; Y1568-F1861 HydrophobicContact CE2-CE1 4.35Å; M1581-F1861 HydrophobicContact SD-CE2 4.01Å; L1586-F1861 HydrophobicContact CD2-CD1 4.15Å; L1586-F1861 HydrophobicContact CD2-CG 4.42Å; L1853-F1861 WeakPolarHBondContact CA-O 3.14Å; L1853-F1861 WeakPolarHBondContact CB-O 3.33Å; L1853-F1861 PolarHBondContact N-O 3.39Å; C1854-F1861 PolarHBondContact N-O 3.21Å; C1854-F1861 PolarHBondContact O-N 2.8Å; K1859-F1861 HydrophobicContact CB-CE2 4.29Å; F1861-V1872 HydrophobicContact CD1-CG1 4.48Å; F1861-S1873 WeakPolarHBondContact CA-O 3.38Å; F1861-M1874 HydrophobicContact CD1-CB 4.02Å; F1861-M1874 HydrophobicContact CD1-CG 4.1Å; F1861-M1874 HydrophobicContact CE1-CB 3.81Å; F1861-M1874 HydrophobicContact CE1-CG 3.59Å; F1861-M1874 HydrophobicContact CE1-SD 3.8Å; F1861-M1874 HydrophobicContact CZ-CG 3.83Å; F1861-M1874 HydrophobicContact CZ-SD 3.76Å |
| 1862 | F | 93.3 | Very high | 87.9 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 149 | -179.4 | 67.1 | -80.5 | 0 | 0 | 0 | 111 | I1565 W1823 F1850 K1851 S1873 M1875 | I1565-F1862 HydrophobicContact CD1-CZ 4.47Å; I1565-F1862 HydrophobicContact CG2-CE1 4.19Å; I1565-F1862 HydrophobicContact CG2-CZ 3.71Å; W1823-F1862 HydrophobicContact CE3-CB 4.4Å; W1823-F1862 HydrophobicContact CH2-CB 3.5Å; W1823-F1862 VanDerWaalsContact CH2-CB 3.5Å; W1823-F1862 HydrophobicContact CH2-CD1 4.05Å; W1823-F1862 HydrophobicContact CH2-CD2 4.32Å; W1823-F1862 AromaticContact CH2-CG 3.74Å; W1823-F1862 HydrophobicContact CH2-CG 3.74Å; W1823-F1862 HydrophobicContact CZ2-CB 4.46Å; W1823-F1862 HydrophobicContact CZ3-CB 3.46Å; W1823-F1862 VanDerWaalsContact CZ3-CB 3.46Å; W1823-F1862 HydrophobicContact CZ3-CD1 4.24Å; W1823-F1862 AromaticContact CZ3-CD2 3.69Å; W1823-F1862 HydrophobicContact CZ3-CD2 3.69Å; W1823-F1862 HydrophobicContact CZ3-CE2 4.42Å; W1823-F1862 AromaticContact CZ3-CG 3.56Å; W1823-F1862 HydrophobicContact CZ3-CG 3.56Å; F1850-F1862 HydrophobicContact CD1-CD2 4.21Å; F1850-F1862 AromaticContact CD1-CE2 3.92Å; F1850-F1862 HydrophobicContact CD1-CE2 3.92Å; F1850-F1862 HydrophobicContact CE1-CE2 4.33Å; K1851-F1862 CarbonylContact O-C 3.58Å; K1851-F1862 VanDerWaalsContact O-CA 3.31Å; K1851-F1862 WeakPolarHBondContact O-CA 3.43Å; K1851-F1862 WeakPolarHBondContact O-CB 3.49Å; F1862-S1873 VanDerWaalsContact CZ-CB 3.49Å; F1862-S1873 PolarHBondContact N-O 2.97Å; F1862-S1873 PolarHBondContact O-N 3.36Å; F1862-M1875 HydrophobicContact CE1-CB 4.07Å |
| 1863 | S | 92.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 147.3 | 166.8 | 48.6 | 0 | 0 | 0 | 0 | 109.8 | K1851 Q1871 | K1851-S1863 PolarHBondContact N-O 3.12Å; K1851-S1863 PolarHBondContact O-N 3.02Å; K1851-S1863 PolarHBondContact O-OG 3.37Å; S1863-Q1871 WeakPolarHBondContact CA-O 3.29Å |
| 1864 | N | 88.8 | Confident | 87.4 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 143.8 | 157.4 | 66.4 | 75.4 | 0 | 0 | 0 | 109.9 | Q1848 F1850 Q1871 S1873 | Q1848-N1864 HydrophobicContact CB-CB 4.05Å; Q1848-N1864 CarbonylContact O-C 3.51Å; Q1848-N1864 VanDerWaalsContact OE1-CG 3.29Å; Q1848-N1864 PolarHBondContact OE1-OD1 3.33Å; F1850-N1864 HydrophobicContact CD1-CB 3.69Å; F1850-N1864 HydrophobicContact CE1-CB 3.98Å; N1864-Q1871 PolarHBondContact N-O 3.05Å; N1864-Q1871 PolarHBondContact O-N 3.09Å; N1864-Q1871 WeakPolarHBondContact OD1-CG 3.41Å; N1864-Q1871 PolarHBondContact OD1-NE2 2.96Å; N1864-S1873 PolarHBondContact ND2-OG 2.62Å; N1864-S1873 VanDerWaalsContact ND2-OG 3.14Å |
| 1865 | T | 85.6 | Confident | 87.1 | Confident | 40 Ų | 40 | 40.9 Ų | 40.9 | 25% | 0.245 | 22% | 0.22 | C | C | . | . | trans | -134.5 | 95.9 | -169.6 | -49.7 | 0 | 0 | 0 | 0 | 108.4 | Q1848 P1870 | Q1848-T1865 CarbonylContact C-O 3.54Å; Q1848-T1865 CarbonylContact O-C 3.41Å; Q1848-T1865 PolarHBondContact O-N 3.07Å; Q1848-T1865 VanDerWaalsContact O-O 3.12Å; T1865-P1870 HydrophobicContact CG2-CB 4.22Å; T1865-P1870 WeakPolarHBondContact OG1-CB 3.4Å | ||
| 1866 | R | 79.9 | Confident | 86.8 | Confident | 144 Ų | 144 | 39.7 Ų | 39.7 | 54% | 0.543 | 22% | 0.216 | S | C | . | . | trans | -77.3 | -166.3 | 169.8 | -151.7 | -171.1 | 142.1 | -165.2 | -10.6 | 109.5 | G1868 | R1866-G1868 PolarHBondContact O-N 3.21Š| ||
| 1867 | S | 73.8 | Confident | 86.4 | Confident | 111 Ų | 111 | 36.6 Ų | 36.6 | 78% | 0.776 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -66.2 | 57 | 164.7 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1868 | G | 81 | Confident | 85.5 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 41% | 0.412 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 176.6 | -177.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1866 | R1866-G1868 PolarHBondContact O-N 3.21Š|
| 1869 | P | 84.2 | Confident | 84.1 | Confident | 64 Ų | 64 | 34.3 Ų | 34.3 | 42% | 0.416 | 22% | 0.216 | S | C | . | . | trans | -61.1 | 139.1 | -176.2 | 25.5 | -35.3 | 0 | 0 | 0 | 111.7 | R1571 F1572 | R1571-P1869 HydrophobicContact CB-CB 4.18Å; R1571-P1869 HydrophobicContact CB-CG 4.1Å; R1571-P1869 HydrophobicContact CG-CB 4.36Å; R1571-P1869 HydrophobicContact CG-CG 3.74Å; F1572-P1869 VanDerWaalsContact O-CB 3.3Å; F1572-P1869 WeakPolarHBondContact O-CB 3.37Å | ||
| 1870 | P | 88.8 | Confident | 82.6 | Confident | 11 Ų | 11 | 32.3 Ų | 32.3 | 7% | 0.071 | 21% | 0.208 | C | C | . | . | trans | -64.2 | 148.9 | 178.2 | 25.9 | -33.8 | 0 | 0 | 0 | 111.6 | R1571 F1572 S1574 I1576 T1865 | R1571-P1870 CarbonylContact C-O 3.57Å; F1572-P1870 HydrophobicContact CB-CG 4.33Å; F1572-P1870 PolarHBondContact N-O 3.2Å; S1574-P1870 VanDerWaalsContact O-CG 3.26Å; S1574-P1870 WeakPolarHBondContact O-CG 3.48Å; I1576-P1870 HydrophobicContact CD1-CB 4.08Å; I1576-P1870 HydrophobicContact CD1-CG 4.42Å; I1576-P1870 HydrophobicContact CG1-CB 4.16Å; I1576-P1870 HydrophobicContact CG1-CG 4.12Å; T1865-P1870 HydrophobicContact CG2-CB 4.22Å; T1865-P1870 WeakPolarHBondContact OG1-CB 3.4Å | ||
| 1871 | Q | 90.2 | Very high | 80.6 | Confident | 44 Ų | 44 | 40.6 Ų | 40.6 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.7 | 176.5 | 59.6 | 174.9 | 2.2 | 0 | 0 | 111.7 | V1567 K1569 S1863 N1864 | V1567-Q1871 HydrophobicContact CG1-CB 4.49Å; K1569-Q1871 CarbonylContact O-C 3.52Å; K1569-Q1871 WeakPolarHBondContact O-CA 3.24Å; K1569-Q1871 WeakPolarHBondContact O-CB 3.46Å; S1863-Q1871 WeakPolarHBondContact CA-O 3.29Å; N1864-Q1871 PolarHBondContact N-O 3.05Å; N1864-Q1871 PolarHBondContact O-N 3.09Å; N1864-Q1871 WeakPolarHBondContact OD1-CG 3.41Å; N1864-Q1871 PolarHBondContact OD1-NE2 2.96Å |
| 1872 | V | 90.9 | Very high | 78.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 129.3 | 172.6 | 174.2 | 0 | 0 | 0 | 0 | 109.1 | Y1568 K1569 F1572 I1576 L1586 I1588 L1853 F1861 | Y1568-V1872 PolarHBondContact N-O 3.04Å; K1569-V1872 PolarHBondContact N-O 2.64Å; K1569-V1872 VanDerWaalsContact N-O 3.08Å; K1569-V1872 PolarHBondContact O-N 3.22Å; F1572-V1872 HydrophobicContact CD2-CG2 4.39Å; F1572-V1872 HydrophobicContact CE2-CB 4.18Å; F1572-V1872 HydrophobicContact CE2-CG2 3.58Å; F1572-V1872 HydrophobicContact CZ-CG2 4.08Å; I1576-V1872 HydrophobicContact CD1-CG2 3.59Å; L1586-V1872 HydrophobicContact CD2-CG1 4.07Å; I1588-V1872 HydrophobicContact CD1-CG2 4.22Å; L1853-V1872 HydrophobicContact CD1-CG1 4.47Å; L1853-V1872 HydrophobicContact CD1-CG2 4.04Å; F1861-V1872 HydrophobicContact CD1-CG1 4.48Å |
| 1873 | S | 89.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 157.2 | 174.8 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | Q1566 F1861 F1862 N1864 | Q1566-S1873 CarbonylContact O-C 3.49Å; Q1566-S1873 WeakPolarHBondContact O-CA 3.45Å; F1861-S1873 WeakPolarHBondContact CA-O 3.38Å; F1862-S1873 VanDerWaalsContact CZ-CB 3.49Å; F1862-S1873 PolarHBondContact N-O 2.97Å; F1862-S1873 PolarHBondContact O-N 3.36Å; N1864-S1873 PolarHBondContact ND2-OG 2.62Å; N1864-S1873 VanDerWaalsContact ND2-OG 3.14Å |
| 1874 | M | 88.2 | Confident | 77 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.7 | 179 | -177 | -170.2 | 75.3 | 0 | 0 | 108.7 | Q1566 Y1568 K1859 V1860 F1861 | Q1566-M1874 HydrophobicContact CB-CE 4.33Å; Q1566-M1874 PolarHBondContact N-O 2.86Å; Q1566-M1874 PolarHBondContact O-N 2.74Å; Y1568-M1874 HydrophobicContact CD2-CB 4Å; Y1568-M1874 HydrophobicContact CD2-SD 4.12Å; Y1568-M1874 HydrophobicContact CE2-SD 3.88Å; K1859-M1874 HydrophobicContact CB-CG 4.37Å; K1859-M1874 HydrophobicContact CD-CE 4.35Å; K1859-M1874 HydrophobicContact CD-SD 3.84Å; K1859-M1874 HydrophobicContact CG-SD 4.48Å; V1860-M1874 CarbonylContact O-C 3.59Å; V1860-M1874 WeakPolarHBondContact O-CA 3.07Å; F1861-M1874 HydrophobicContact CD1-CB 4.02Å; F1861-M1874 HydrophobicContact CD1-CG 4.1Å; F1861-M1874 HydrophobicContact CE1-CB 3.81Å; F1861-M1874 HydrophobicContact CE1-CG 3.59Å; F1861-M1874 HydrophobicContact CE1-SD 3.8Å; F1861-M1874 HydrophobicContact CZ-CG 3.83Å; F1861-M1874 HydrophobicContact CZ-SD 3.76Å |
| 1875 | M | 87.7 | Confident | 76.3 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.2 | 174.1 | -178.8 | -176.3 | -172.8 | 0 | 0 | 107.8 | P1563 I1565 F1842 K1859 V1860 F1862 W1882 | P1563-M1875 HydrophobicContact CB-CE 3.85Å; P1563-M1875 HydrophobicContact CB-CG 4.12Å; P1563-M1875 HydrophobicContact CG-CE 3.46Å; P1563-M1875 VanDerWaalsContact CG-CE 3.46Å; I1565-M1875 HydrophobicContact CG1-CG 4.39Å; F1842-M1875 HydrophobicContact CD2-CE 3.95Å; F1842-M1875 HydrophobicContact CE1-CE 4.44Å; F1842-M1875 HydrophobicContact CE2-CE 3.5Å; F1842-M1875 VanDerWaalsContact CE2-CE 3.5Å; F1842-M1875 HydrophobicContact CZ-CE 3.79Å; K1859-M1875 WeakPolarHBondContact CA-O 3.19Å; V1860-M1875 HydrophobicContact CB-CB 4.43Å; V1860-M1875 PolarHBondContact N-O 2.83Å; V1860-M1875 PolarHBondContact O-N 3.29Å; F1862-M1875 HydrophobicContact CE1-CB 4.07Å; M1875-W1882 HydrophobicContact CE-CH2 3.82Å; M1875-W1882 HydrophobicContact CE-CZ2 4.41Å |
| 1876 | T | 84.5 | Confident | 75.8 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 15% | 0.153 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.6 | 174.6 | -55.4 | 0 | 0 | 0 | 0 | 109.1 | K1859 S1878 | K1859-T1876 WeakPolarHBondContact CE-OG1 3.34Å; K1859-T1876 HydrophobicContact CG-CG2 4.23Å; T1876-S1878 WeakPolarHBondContact CG2-OG 3.38Å |
| 1877 | L | 77.9 | Confident | 75.5 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | trans | -89.6 | -29 | -177.2 | -60.2 | 172.6 | 0 | 0 | 0 | 112.9 | I1815 T1817 D1858 V1860 G1879 I1880 | I1815-L1877 HydrophobicContact CD1-CD1 3.6Å; I1815-L1877 HydrophobicContact CD1-CD2 4.12Å; T1817-L1877 HydrophobicContact CG2-CB 4.39Å; T1817-L1877 HydrophobicContact CG2-CD1 3.92Å; D1858-L1877 WeakPolarHBondContact O-CB 2.97Å; D1858-L1877 PolarHBondContact O-N 2.92Å; V1860-L1877 HydrophobicContact CG2-CD1 3.9Å; V1860-L1877 HydrophobicContact CG2-CD2 4.23Å; V1860-L1877 HydrophobicContact CG2-CG 4.2Å; L1877-G1879 PolarHBondContact O-N 3.07Å; L1877-I1880 HydrophobicContact CD2-CD1 4.47Å; L1877-I1880 WeakPolarHBondContact O-CD1 3.22Å; L1877-I1880 WeakPolarHBondContact O-CG1 3.06Å; L1877-I1880 PolarHBondContact O-N 2.87Å | ||
| 1878 | S | 64.9 | Low | 75.7 | Confident | 75 Ų | 75 | 43.9 Ų | 43.9 | 52% | 0.524 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 121.8 | -175.9 | 45.7 | 0 | 0 | 0 | 0 | 111.9 | T1876 | T1876-S1878 WeakPolarHBondContact CG2-OG 3.38Š|
| 1879 | G | 53.6 | Low | 75.3 | Confident | 74 Ų | 74 | 44.2 Ų | 44.2 | 76% | 0.763 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.3 | -8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1877 H1881 | L1877-G1879 PolarHBondContact O-N 3.07Å; G1879-H1881 PolarHBondContact O-N 2.86Å |
| 1880 | I | 54.6 | Low | 74.6 | Confident | 24 Ų | 24 | 42.7 Ų | 42.7 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | trans | -81.4 | 117.5 | 174.1 | -45.7 | 162.7 | 0 | 0 | 0 | 108.8 | P1563 L1877 W1882 | P1563-I1880 HydrophobicContact CB-CD1 3.58Å; P1563-I1880 HydrophobicContact CB-CG1 4.03Å; P1563-I1880 HydrophobicContact CG-CD1 3.81Å; P1563-I1880 HydrophobicContact CG-CG1 4.34Å; L1877-I1880 HydrophobicContact CD2-CD1 4.47Å; L1877-I1880 WeakPolarHBondContact O-CD1 3.22Å; L1877-I1880 WeakPolarHBondContact O-CG1 3.06Å; L1877-I1880 PolarHBondContact O-N 2.87Å; I1880-W1882 HydrophobicContact CB-CD2 4.46Å; I1880-W1882 HydrophobicContact CB-CZ2 4.23Å; I1880-W1882 HydrophobicContact CD1-CH2 3.82Å; I1880-W1882 HydrophobicContact CD1-CZ2 3.28Å; I1880-W1882 HydrophobicContact CG1-CZ2 4.36Å; I1880-W1882 HydrophobicContact CG2-CD2 3.56Å; I1880-W1882 VanDerWaalsContact CG2-CE2 3.49Å; I1880-W1882 HydrophobicContact CG2-CE3 3.92Å; I1880-W1882 HydrophobicContact CG2-CG 4Å; I1880-W1882 HydrophobicContact CG2-CH2 4.14Å; I1880-W1882 HydrophobicContact CG2-CZ2 3.84Å; I1880-W1882 HydrophobicContact CG2-CZ3 4.18Å | ||
| 1881 | H | 50.1 | Low | 73.4 | Confident | 173 Ų | 173 | 45.3 Ų | 45.3 | 80% | 0.801 | 26% | 0.257 | S | S | * | . | trans | -85.1 | 121.8 | 151.6 | -107.3 | -79.2 | 0 | 0 | 0 | 107.5 | G1879 | G1879-H1881 PolarHBondContact O-N 2.86Š| ||
| 1882 | W | 48.7 | Very low | 71.9 | Confident | 115 Ų | 115 | 45.5 Ų | 45.5 | 44% | 0.436 | 26% | 0.261 | S | S | . | . | trans | -88.6 | 0 | 172.6 | -56.4 | 98.4 | 0 | 0 | 0 | 109.7 | P1563 Q1819 V1830 D1839 F1842 M1875 I1880 | P1563-W1882 HydrophobicContact CG-CH2 4.28Å; Q1819-W1882 VanDerWaalsContact NE2-NE1 3.16Å; V1830-W1882 HydrophobicContact CB-CE3 4.49Å; V1830-W1882 HydrophobicContact CB-CH2 4.45Å; V1830-W1882 HydrophobicContact CB-CZ3 4.25Å; V1830-W1882 HydrophobicContact CG1-CD2 4.38Å; V1830-W1882 HydrophobicContact CG1-CE3 4.38Å; V1830-W1882 HydrophobicContact CG1-CH2 4.27Å; V1830-W1882 HydrophobicContact CG1-CZ2 4.21Å; V1830-W1882 HydrophobicContact CG1-CZ3 4.35Å; V1830-W1882 HydrophobicContact CG2-CH2 3.8Å; V1830-W1882 HydrophobicContact CG2-CZ2 4.48Å; V1830-W1882 HydrophobicContact CG2-CZ3 3.82Å; D1839-W1882 HydrophobicContact CB-CB 3.97Å; D1839-W1882 HydrophobicContact CB-CG 4.35Å; F1842-W1882 AromaticContact CE2-CH2 3.45Å; F1842-W1882 HydrophobicContact CE2-CH2 3.45Å; F1842-W1882 VanDerWaalsContact CE2-CH2 3.45Å; F1842-W1882 AromaticContact CE2-CZ3 3.44Å; F1842-W1882 HydrophobicContact CE2-CZ3 3.44Å; F1842-W1882 VanDerWaalsContact CE2-CZ3 3.44Å; F1842-W1882 AromaticContact CZ-CH2 3.62Å; F1842-W1882 HydrophobicContact CZ-CH2 3.62Å; F1842-W1882 AromaticContact CZ-CZ3 3.51Å; F1842-W1882 HydrophobicContact CZ-CZ3 3.51Å; M1875-W1882 HydrophobicContact CE-CH2 3.82Å; M1875-W1882 HydrophobicContact CE-CZ2 4.41Å; I1880-W1882 HydrophobicContact CB-CD2 4.46Å; I1880-W1882 HydrophobicContact CB-CZ2 4.23Å; I1880-W1882 HydrophobicContact CD1-CH2 3.82Å; I1880-W1882 HydrophobicContact CD1-CZ2 3.28Å; I1880-W1882 HydrophobicContact CG1-CZ2 4.36Å; I1880-W1882 HydrophobicContact CG2-CD2 3.56Å; I1880-W1882 VanDerWaalsContact CG2-CE2 3.49Å; I1880-W1882 HydrophobicContact CG2-CE3 3.92Å; I1880-W1882 HydrophobicContact CG2-CG 4Å; I1880-W1882 HydrophobicContact CG2-CH2 4.14Å; I1880-W1882 HydrophobicContact CG2-CZ2 3.84Å; I1880-W1882 HydrophobicContact CG2-CZ3 4.18Å |
Retrieved 1,882 of 1,882 residues in 1009.4 ms
(Link to these results)