| 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 | 50.9 | Low | 48.6 | Very low | 228 Ų | 228 | 137.7 Ų | 137.7 | 100% | 1.123 | 68% | 0.684 | S | S | * | * | 0 | 71.2 | 0 | -62.7 | 172.9 | 174.7 | 0 | 0 | 112.2 | |||||
| 2 | R | 46.9 | Very low | 48.1 | Very low | 228 Ų | 228 | 134.1 Ų | 134.1 | 86% | 0.86 | 68% | 0.68 | S | S | * | * | trans | -127.1 | -37.2 | 168.6 | -74.8 | -172 | 178.5 | 176.4 | 0.2 | 113.1 | R5 | R2-R5 PolarHBondContact O-N 3.36Š| ||
| 3 | F | 45.8 | Very low | 47.5 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 77% | 0.772 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -63.3 | -39.9 | 177 | -93.9 | -95.7 | 0 | 0 | 0 | 115.3 | R5 A6 L7 | F3-R5 PolarHBondContact O-N 3.27Å; F3-A6 WeakPolarHBondContact O-CB 3.47Å; F3-A6 PolarHBondContact O-N 2.88Å; F3-L7 PolarHBondContact O-N 3.14Å |
| 4 | L | 50.1 | Low | 47.3 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -63.4 | -27.5 | -179.4 | -85 | 83.6 | 0 | 0 | 0 | 113.5 | S8 | L4-S8 WeakPolarHBondContact O-CB 3.09Å; L4-S8 PolarHBondContact O-N 3.04Å |
| 5 | R | 49.8 | Very low | 47.1 | Very low | 216 Ų | 216 | 130 Ų | 130 | 82% | 0.815 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -75 | -26.3 | 174.7 | -77.4 | -173.7 | 173.9 | 173.5 | -1.6 | 113 | R2 F3 A9 | R2-R5 PolarHBondContact O-N 3.36Å; F3-R5 PolarHBondContact O-N 3.27Å; R5-A9 PolarHBondContact O-N 2.03Å |
| 6 | A | 50.2 | Low | 46.8 | Very low | 51 Ų | 51 | 128.6 Ų | 128.6 | 42% | 0.421 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -73.1 | -44.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F3 S8 A9 L10 | F3-A6 WeakPolarHBondContact O-CB 3.47Å; F3-A6 PolarHBondContact O-N 2.88Å; A6-S8 PolarHBondContact O-N 3.45Å; A6-A9 PolarHBondContact O-N 3.48Å; A6-A9 VanDerWaalsContact O-N 3.16Å; A6-L10 PolarHBondContact O-N 2.91Å |
| 7 | L | 50.3 | Low | 46.6 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 52% | 0.524 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -62.5 | -41.3 | 174.4 | -88.3 | 156.4 | 0 | 0 | 0 | 112.4 | F3 A9 L10 L11 | F3-L7 PolarHBondContact O-N 3.14Å; L7-A9 PolarHBondContact O-N 3.34Å; L7-L10 PolarHBondContact O-N 3.34Å; L7-L11 HydrophobicContact CD2-CD1 4.25Å; L7-L11 WeakPolarHBondContact O-CD1 3.04Å; L7-L11 PolarHBondContact O-N 3.33Å |
| 8 | S | 48.3 | Very low | 46.8 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 55% | 0.545 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -66.1 | -23.1 | 175 | -171 | 0 | 0 | 0 | 0 | 113.8 | L4 A6 C12 | L4-S8 WeakPolarHBondContact O-CB 3.09Å; L4-S8 PolarHBondContact O-N 3.04Å; A6-S8 PolarHBondContact O-N 3.45Å; S8-C12 PolarHBondContact O-SG 3.43Å; S8-C12 VanDerWaalsContact O-SG 3.32Å |
| 9 | A | 47.9 | Very low | 47.4 | Very low | 56 Ų | 56 | 125.7 Ų | 125.7 | 46% | 0.463 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -80.1 | -42.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R5 A6 L7 C12 | R5-A9 PolarHBondContact O-N 2.03Å; A6-A9 PolarHBondContact O-N 3.48Å; A6-A9 VanDerWaalsContact O-N 3.16Å; L7-A9 PolarHBondContact O-N 3.34Å; A9-C12 PolarHBondContact O-N 2.8Å |
| 10 | L | 48.4 | Very low | 48.5 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 67% | 0.67 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -67.1 | -34.9 | -179.4 | -79.2 | 160.5 | 0 | 0 | 0 | 113.4 | A6 L7 | A6-L10 PolarHBondContact O-N 2.91Å; L7-L10 PolarHBondContact O-N 3.34Å |
| 11 | L | 46.3 | Very low | 49.6 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 59% | 0.586 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -22 | 175.1 | -90.2 | 77.8 | 0 | 0 | 0 | 113.9 | L7 S14 | L7-L11 HydrophobicContact CD2-CD1 4.25Å; L7-L11 WeakPolarHBondContact O-CD1 3.04Å; L7-L11 PolarHBondContact O-N 3.33Å; L11-S14 PolarHBondContact O-OG 2.03Å |
| 12 | C | 42.2 | Very low | 51 | Low | 94 Ų | 94 | 112.3 Ų | 112.3 | 64% | 0.635 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -76.8 | -22.1 | 176.3 | -76 | 0 | 0 | 0 | 0 | 113.1 | S8 A9 S14 | S8-C12 PolarHBondContact O-SG 3.43Å; S8-C12 VanDerWaalsContact O-SG 3.32Å; A9-C12 PolarHBondContact O-N 2.8Å; C12-S14 VanDerWaalsContact C-N 3.35Å |
| 13 | C | 40 | Very low | 52.3 | Low | 108 Ų | 108 | 106.3 Ų | 106.3 | 73% | 0.73 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -83.9 | -5.5 | 178.9 | -67.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 14 | S | 44.5 | Very low | 53.7 | Low | 87 Ų | 87 | 101.3 Ų | 101.3 | 61% | 0.608 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -100.1 | 13 | 178.1 | 48.5 | 0 | 0 | 0 | 0 | 114.4 | L11 C12 | L11-S14 PolarHBondContact O-OG 2.03Å; C12-S14 VanDerWaalsContact C-N 3.35Å |
| 15 | L | 45.4 | Very low | 55.2 | Low | 146 Ų | 146 | 95.2 Ų | 95.2 | 76% | 0.764 | 58% | 0.579 | S | S | * | * | trans | -122.4 | 27.5 | 179.7 | -82.9 | 166.6 | 0 | 0 | 0 | 113.7 | S17 | L15-S17 PolarHBondContact O-N 2.84Š| ||
| 16 | S | 41.4 | Very low | 56.5 | Low | 108 Ų | 108 | 91 Ų | 91 | 76% | 0.755 | 57% | 0.566 | S | S | * | * | trans | -70.7 | 76.5 | 158.6 | 59.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 17 | S | 43.8 | Very low | 58 | Low | 93 Ų | 93 | 91.2 Ų | 91.2 | 65% | 0.65 | 56% | 0.56 | S | S | * | * | trans | -55.4 | 134.4 | 170.8 | -162.8 | 0 | 0 | 0 | 0 | 109 | L15 Q19 | L15-S17 PolarHBondContact O-N 2.84Å; S17-Q19 PolarHBondContact O-N 2.8Å; S17-Q19 VanDerWaalsContact O-N 3.07Å | ||
| 18 | P | 49.3 | Very low | 59.7 | Low | 106 Ų | 106 | 87.7 Ų | 87.7 | 69% | 0.688 | 54% | 0.543 | S | S | * | . | trans | -58.9 | 119.2 | 174.3 | 25.5 | -32.9 | 0 | 0 | 0 | 108.1 | T20 | P18-T20 VanDerWaalsContact C-N 3.31Å; P18-T20 PolarHBondContact O-N 2.84Å | ||
| 19 | Q | 58.8 | Low | 61.3 | Low | 131 Ų | 131 | 86.3 Ų | 86.3 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | trans | -70.3 | 92.4 | -179.8 | -69.8 | -174.1 | 37.3 | 0 | 0 | 108.3 | S17 L21 Q42 | S17-Q19 PolarHBondContact O-N 2.8Å; S17-Q19 VanDerWaalsContact O-N 3.07Å; Q19-L21 PolarHBondContact O-N 3.26Å; Q19-Q42 VanDerWaalsContact CB-NE2 3.31Å; Q19-Q42 PolarHBondContact O-NE2 2.03Å | ||
| 20 | T | 69.5 | Low | 62.8 | Low | 113 Ų | 113 | 91.9 Ų | 91.9 | 69% | 0.693 | 55% | 0.546 | S | S | * | . | trans | -58.3 | 109.7 | 179.5 | 52.2 | 0 | 0 | 0 | 0 | 109.2 | P18 | P18-T20 VanDerWaalsContact C-N 3.31Å; P18-T20 PolarHBondContact O-N 2.84Å | ||
| 21 | L | 72.1 | Confident | 63.5 | Low | 12 Ų | 12 | 93 Ų | 93 | 6% | 0.063 | 55% | 0.553 | C | S | . | * | trans | -60 | 140.8 | 172.6 | -75.6 | 167.5 | 0 | 0 | 0 | 109.7 | Q19 V28 P34 Q42 K45 C47 | Q19-L21 PolarHBondContact O-N 3.26Å; L21-V28 HydrophobicContact CB-CG1 4.15Å; L21-V28 HydrophobicContact CB-CG2 4.19Å; L21-V28 HydrophobicContact CD2-CG2 4.28Å; L21-P34 HydrophobicContact CB-CB 4.07Å; L21-P34 HydrophobicContact CB-CG 4.49Å; L21-P34 WeakPolarHBondContact O-CG 3.24Å; L21-Q42 HydrophobicContact CD2-CB 4.34Å; L21-Q42 HydrophobicContact CD2-CG 3.74Å; L21-K45 WeakPolarHBondContact CD2-O 3.47Å; L21-C47 VanDerWaalsContact CD2-SG 3.56Å | ||
| 22 | D | 79.3 | Confident | 64.6 | Low | 74 Ų | 74 | 93.1 Ų | 93.1 | 40% | 0.396 | 56% | 0.564 | S | S | . | * | trans | -72.4 | 124.7 | 176.8 | -163.4 | -51.8 | 0 | 0 | 0 | 109.1 | G24 G25 V28 K45 | D22-G24 PolarHBondContact O-N 3.42Å; D22-G24 VanDerWaalsContact O-N 3.17Å; D22-G24 PolarHBondContact OD1-N 3.46Å; D22-G25 WeakPolarHBondContact O-CA 3.48Å; D22-G25 PolarHBondContact O-N 3.29Å; D22-V28 WeakPolarHBondContact O-CG2 3.41Å; D22-K45 HydrophobicContact CB-CB 4.48Å; D22-K45 PolarHBondContact N-O 3.38Å | ||
| 23 | P | 74.6 | Confident | 66.1 | Low | 102 Ų | 102 | 91.6 Ų | 91.6 | 66% | 0.662 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -12.5 | 178.9 | 28.4 | -35.7 | 0 | 0 | 0 | 113.8 | ||
| 24 | G | 76.2 | Confident | 67.9 | Low | 71 Ų | 71 | 88.8 Ų | 88.8 | 73% | 0.732 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 0.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D22 | D22-G24 PolarHBondContact O-N 3.42Å; D22-G24 VanDerWaalsContact O-N 3.17Å; D22-G24 PolarHBondContact OD1-N 3.46Å |
| 25 | G | 79.9 | Confident | 69.8 | Low | 13 Ų | 13 | 87.3 Ų | 87.3 | 13% | 0.134 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -71.9 | 153.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | D22 N27 V28 | D22-G25 WeakPolarHBondContact O-CA 3.48Å; D22-G25 PolarHBondContact O-N 3.29Å; G25-N27 PolarHBondContact O-N 3.11Å; G25-V28 PolarHBondContact O-N 3.29Å |
| 26 | K | 78.8 | Confident | 71.7 | Confident | 127 Ų | 127 | 81.9 Ų | 81.9 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 133.3 | -178.5 | -63.7 | 179.3 | -159.7 | 89.2 | 0 | 111.4 | V28 E46 C47 | K26-V28 PolarHBondContact O-N 3.37Å; K26-E46 VanDerWaalsContact CB-OE2 3.26Å; K26-E46 WeakPolarHBondContact CB-OE2 3.3Å; K26-E46 WeakPolarHBondContact CD-OE2 3.5Å; K26-E46 WeakPolarHBondContact CG-OE2 3.36Å; K26-E46 PolarHBondContact N-OE2 3.42Å; K26-E46 IonicContact NZ-OE1 3.06Å; K26-E46 IonicContact NZ-OE2 2.67Å; K26-E46 PolarHBondContact NZ-OE2 2.91Å; K26-C47 WeakPolarHBondContact O-CB 3.3Å; K26-C47 PolarHBondContact O-N 3.32Å |
| 27 | N | 80.9 | Confident | 73.7 | Confident | 56 Ų | 56 | 77.9 Ų | 77.9 | 30% | 0.299 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 31.8 | -177.9 | -42.9 | -53.2 | 0 | 0 | 0 | 114.2 | G25 C37 W40 C47 | G25-N27 PolarHBondContact O-N 3.11Å; N27-C37 VanDerWaalsContact C-SG 3.52Å; N27-C37 WeakPolarHBondContact O-CB 3.32Å; N27-C37 PolarHBondContact O-N 3.26Å; N27-C37 PolarHBondContact O-SG 3.35Å; N27-W40 HydrophobicContact CB-CB 4.11Å; N27-W40 HydrophobicContact CB-CD2 3.83Å; N27-W40 HydrophobicContact CB-CG 3.61Å; N27-W40 VanDerWaalsContact CG-CE2 3.44Å; N27-W40 VanDerWaalsContact ND2-CE2 3.35Å; N27-W40 WeakPolarHBondContact ND2-CZ3 3.06Å; N27-C47 HydrophobicContact CB-CB 4.07Å; N27-C47 WeakPolarHBondContact CB-O 3.37Å; N27-C47 PolarHBondContact ND2-O 3.43Å; N27-C47 WeakPolarHBondContact O-CB 3.47Å |
| 28 | V | 85.4 | Confident | 75.6 | Confident | 26 Ų | 26 | 80 Ų | 80 | 16% | 0.158 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.7 | 169.9 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | L21 D22 G25 K26 P34 V35 C37 | L21-V28 HydrophobicContact CB-CG1 4.15Å; L21-V28 HydrophobicContact CB-CG2 4.19Å; L21-V28 HydrophobicContact CD2-CG2 4.28Å; D22-V28 WeakPolarHBondContact O-CG2 3.41Å; G25-V28 PolarHBondContact O-N 3.29Å; K26-V28 PolarHBondContact O-N 3.37Å; V28-P34 HydrophobicContact CG1-CB 3.76Å; V28-V35 CarbonylContact C-O 3.51Å; V28-V35 WeakPolarHBondContact CA-O 3.35Å; V28-C37 VanDerWaalsContact C-SG 3.53Å |
| 29 | C | 82.8 | Confident | 77.1 | Confident | 49 Ų | 49 | 76.3 Ų | 76.3 | 33% | 0.331 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 162.4 | 177.1 | -82.9 | 0 | 0 | 0 | 0 | 110.3 | V35 C37 | C29-V35 PolarHBondContact N-O 3.08Å; C29-V35 PolarHBondContact O-N 2.85Å; C29-V35 VanDerWaalsContact O-O 3.1Å; C29-C37 HydrophobicContact CB-CB 3.98Å; C29-C37 WeakPolarHBondContact CB-SG 3.05Å; C29-C37 PolarHBondContact N-SG 2.81Å; C29-C37 VanDerWaalsContact N-SG 3.35Å; C29-C37 WeakPolarHBondContact SG-CA 3.28Å; C29-C37 WeakPolarHBondContact SG-CB 3.34Å; C29-C37 CovalentContact SG-SG 2.04Å; C29-C37 PolarHBondContact SG-SG 2.84Å |
| 30 | K | 79.4 | Confident | 78.3 | Confident | 173 Ų | 173 | 72 Ų | 72 | 75% | 0.752 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139 | 75.7 | -167.8 | -169.2 | -174.1 | 177.8 | -178.3 | 0 | 112.6 | ||
| 31 | D | 62.2 | Low | 79 | Confident | 151 Ų | 151 | 73.2 Ų | 73.2 | 81% | 0.807 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -87.6 | -20.2 | 174.4 | -77.7 | -52.6 | 0 | 0 | 0 | 113.8 | ||
| 32 | S | 69.8 | Low | 79.7 | Confident | 116 Ų | 116 | 76.2 Ų | 76.2 | 81% | 0.811 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -166.7 | -43 | 170.1 | 47.1 | 0 | 0 | 0 | 0 | 112 | ||
| 33 | S | 73.4 | Confident | 79.9 | Confident | 61 Ų | 61 | 78 Ų | 78 | 43% | 0.427 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -116.8 | 164.5 | 164.5 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | V35 | S33-V35 PolarHBondContact O-N 3.07Š|
| 34 | P | 79.4 | Confident | 80.3 | Confident | 49 Ų | 49 | 75 Ų | 75 | 32% | 0.318 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 118.1 | 170.8 | 28.5 | -33.9 | 0 | 0 | 0 | 109.5 | L21 V28 | L21-P34 HydrophobicContact CB-CB 4.07Å; L21-P34 HydrophobicContact CB-CG 4.49Å; L21-P34 WeakPolarHBondContact O-CG 3.24Å; V28-P34 HydrophobicContact CG1-CB 3.76Å |
| 35 | V | 84.5 | Confident | 80.5 | Confident | 57 Ų | 57 | 78.6 Ų | 78.6 | 35% | 0.345 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 159.7 | -178.3 | -68.5 | 0 | 0 | 0 | 0 | 109.4 | V28 C29 S33 C37 | V28-V35 CarbonylContact C-O 3.51Å; V28-V35 WeakPolarHBondContact CA-O 3.35Å; C29-V35 PolarHBondContact N-O 3.08Å; C29-V35 PolarHBondContact O-N 2.85Å; C29-V35 VanDerWaalsContact O-O 3.1Å; S33-V35 PolarHBondContact O-N 3.07Å; V35-C37 PolarHBondContact O-N 3.1Å |
| 36 | C | 83.6 | Confident | 80.6 | Confident | 31 Ų | 31 | 80.9 Ų | 80.9 | 21% | 0.209 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 136.8 | 171.2 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | W40 Q42 C47 | C36-W40 HydrophobicContact CB-CB 4.35Å; C36-W40 WeakPolarHBondContact CB-O 2.99Å; C36-Q42 PolarHBondContact SG-N 3.18Å; C36-C47 WeakPolarHBondContact CA-SG 3.5Å; C36-C47 HydrophobicContact CB-CB 3.66Å; C36-C47 WeakPolarHBondContact CB-SG 3.45Å; C36-C47 WeakPolarHBondContact SG-CB 3.43Å; C36-C47 CovalentContact SG-SG 2.03Å; C36-C47 PolarHBondContact SG-SG 3.29Å |
| 37 | C | 84.6 | Confident | 80.9 | Confident | 25 Ų | 25 | 74.8 Ų | 74.8 | 17% | 0.169 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 149.5 | 170.3 | -65.3 | 0 | 0 | 0 | 0 | 110.6 | N27 V28 C29 V35 G39 W40 | N27-C37 VanDerWaalsContact C-SG 3.52Å; N27-C37 WeakPolarHBondContact O-CB 3.32Å; N27-C37 PolarHBondContact O-N 3.26Å; N27-C37 PolarHBondContact O-SG 3.35Å; V28-C37 VanDerWaalsContact C-SG 3.53Å; C29-C37 HydrophobicContact CB-CB 3.98Å; C29-C37 WeakPolarHBondContact CB-SG 3.05Å; C29-C37 PolarHBondContact N-SG 2.81Å; C29-C37 VanDerWaalsContact N-SG 3.35Å; C29-C37 WeakPolarHBondContact SG-CA 3.28Å; C29-C37 WeakPolarHBondContact SG-CB 3.34Å; C29-C37 CovalentContact SG-SG 2.04Å; C29-C37 PolarHBondContact SG-SG 2.84Å; V35-C37 PolarHBondContact O-N 3.1Å; C37-G39 PolarHBondContact O-N 3.4Å; C37-W40 PolarHBondContact O-N 3.49Å |
| 38 | T | 84.4 | Confident | 81 | Confident | 137 Ų | 137 | 74.8 Ų | 74.8 | 84% | 0.84 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 123.7 | -178.6 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 39 | G | 80.3 | Confident | 80.9 | Confident | 29 Ų | 29 | 76.1 Ų | 76.1 | 30% | 0.299 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | C37 V51 P67 | C37-G39 PolarHBondContact O-N 3.4Å; G39-V51 WeakPolarHBondContact O-CB 3.28Å; G39-V51 PolarHBondContact O-N 2.89Å; G39-P67 VanDerWaalsContact O-CB 3.29Å; G39-P67 WeakPolarHBondContact O-CB 3.45Å; G39-P67 WeakPolarHBondContact O-CG 3.45Å |
| 40 | W | 84.1 | Confident | 81 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 16% | 0.155 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 148.9 | 169.7 | -62.4 | 88.7 | 0 | 0 | 0 | 110.9 | N27 C36 C37 C47 P50 F66 P67 | N27-W40 HydrophobicContact CB-CB 4.11Å; N27-W40 HydrophobicContact CB-CD2 3.83Å; N27-W40 HydrophobicContact CB-CG 3.61Å; N27-W40 VanDerWaalsContact CG-CE2 3.44Å; N27-W40 VanDerWaalsContact ND2-CE2 3.35Å; N27-W40 WeakPolarHBondContact ND2-CZ3 3.06Å; C36-W40 HydrophobicContact CB-CB 4.35Å; C36-W40 WeakPolarHBondContact CB-O 2.99Å; C37-W40 PolarHBondContact O-N 3.49Å; W40-C47 HydrophobicContact CB-CB 4Å; W40-P50 HydrophobicContact CE3-CB 4.06Å; W40-P50 HydrophobicContact CH2-CB 4.23Å; W40-P50 HydrophobicContact CZ3-CB 3.82Å; W40-P50 HydrophobicContact CZ3-CG 4.33Å; W40-F66 HydrophobicContact CH2-CD2 4.08Å; W40-F66 AromaticContact CZ2-CD2 3.61Å; W40-F66 HydrophobicContact CZ2-CD2 3.61Å; W40-F66 AromaticContact CZ2-CE2 3.71Å; W40-F66 HydrophobicContact CZ2-CE2 3.71Å; W40-F66 HydrophobicContact CZ2-CG 4.31Å; W40-F66 HydrophobicContact CZ2-CZ 4.47Å; W40-P67 HydrophobicContact CD2-CG 4.47Å; W40-P67 VanDerWaalsContact CE2-CD 3.5Å; W40-P67 HydrophobicContact CZ2-CG 4.27Å |
| 41 | R | 84.5 | Confident | 81.3 | Confident | 137 Ų | 137 | 68.1 Ų | 68.1 | 52% | 0.517 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 150.1 | 175.1 | 64.7 | -174.6 | -80.4 | -177.3 | -1.3 | 111.3 | I49 V51 | R41-I49 HydrophobicContact CG-CB 3.6Å; R41-I49 HydrophobicContact CG-CG2 3.62Å; R41-I49 PolarHBondContact N-O 2.91Å; R41-V51 HydrophobicContact CB-CG2 3.73Å; R41-V51 HydrophobicContact CG-CG2 3.81Å |
| 42 | Q | 86.1 | Confident | 82.3 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 137.4 | -173.8 | -180 | 165.1 | 19.9 | 0 | 0 | 112.3 | Q19 L21 C36 G44 | Q19-Q42 VanDerWaalsContact CB-NE2 3.31Å; Q19-Q42 PolarHBondContact O-NE2 2.03Å; L21-Q42 HydrophobicContact CD2-CB 4.34Å; L21-Q42 HydrophobicContact CD2-CG 3.74Å; C36-Q42 PolarHBondContact SG-N 3.18Å; Q42-G44 VanDerWaalsContact CG-O 3.24Å; Q42-G44 WeakPolarHBondContact CG-O 3.49Å; Q42-G44 PolarHBondContact NE2-O 3.49Å |
| 43 | Q | 83.8 | Confident | 82.7 | Confident | 113 Ų | 113 | 62.6 Ų | 62.6 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 89.8 | 170.3 | -169.9 | 177 | 25 | 0 | 0 | 108.6 | K45 E46 T48 I49 | Q43-K45 PolarHBondContact O-N 3.15Å; Q43-E46 PolarHBondContact N-O 3.13Å; Q43-T48 WeakPolarHBondContact CB-OG1 3.36Å; Q43-T48 PolarHBondContact OE1-OG1 3.45Å; Q43-I49 HydrophobicContact CB-CD1 3.83Å; Q43-I49 HydrophobicContact CB-CG1 3.96Å; Q43-I49 HydrophobicContact CG-CD1 3.92Å; Q43-I49 HydrophobicContact CG-CG1 4.25Å; Q43-I49 VanDerWaalsContact OE1-CG1 3.31Å |
| 44 | G | 82.4 | Confident | 82.9 | Confident | 38 Ų | 38 | 62.7 Ų | 62.7 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | -123.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q42 | Q42-G44 VanDerWaalsContact CG-O 3.24Å; Q42-G44 WeakPolarHBondContact CG-O 3.49Å; Q42-G44 PolarHBondContact NE2-O 3.49Å |
| 45 | K | 80.9 | Confident | 82.6 | Confident | 146 Ų | 146 | 70.3 Ų | 70.3 | 64% | 0.635 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -11.5 | -177.2 | -65.8 | -172.8 | 177.2 | -173.9 | 0 | 115.1 | L21 D22 Q43 | L21-K45 WeakPolarHBondContact CD2-O 3.47Å; D22-K45 HydrophobicContact CB-CB 4.48Å; D22-K45 PolarHBondContact N-O 3.38Å; Q43-K45 PolarHBondContact O-N 3.15Å |
| 46 | E | 82.4 | Confident | 81.9 | Confident | 61 Ų | 61 | 73.9 Ų | 73.9 | 29% | 0.285 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 169.8 | -179.3 | -65.5 | -175.3 | -138.5 | 0 | 0 | 111.1 | K26 Q43 T48 | K26-E46 VanDerWaalsContact CB-OE2 3.26Å; K26-E46 WeakPolarHBondContact CB-OE2 3.3Å; K26-E46 WeakPolarHBondContact CD-OE2 3.5Å; K26-E46 WeakPolarHBondContact CG-OE2 3.36Å; K26-E46 PolarHBondContact N-OE2 3.42Å; K26-E46 IonicContact NZ-OE1 3.06Å; K26-E46 IonicContact NZ-OE2 2.67Å; K26-E46 PolarHBondContact NZ-OE2 2.91Å; Q43-E46 PolarHBondContact N-O 3.13Å; E46-T48 HydrophobicContact CB-CG2 3.94Å |
| 47 | C | 84.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 63.1 | 178.4 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | L21 K26 N27 C36 W40 | L21-C47 VanDerWaalsContact CD2-SG 3.56Å; K26-C47 WeakPolarHBondContact O-CB 3.3Å; K26-C47 PolarHBondContact O-N 3.32Å; N27-C47 HydrophobicContact CB-CB 4.07Å; N27-C47 WeakPolarHBondContact CB-O 3.37Å; N27-C47 PolarHBondContact ND2-O 3.43Å; N27-C47 WeakPolarHBondContact O-CB 3.47Å; C36-C47 WeakPolarHBondContact CA-SG 3.5Å; C36-C47 HydrophobicContact CB-CB 3.66Å; C36-C47 WeakPolarHBondContact CB-SG 3.45Å; C36-C47 WeakPolarHBondContact SG-CB 3.43Å; C36-C47 CovalentContact SG-SG 2.03Å; C36-C47 PolarHBondContact SG-SG 3.29Å; W40-C47 HydrophobicContact CB-CB 4Å |
| 48 | T | 82.6 | Confident | 81.6 | Confident | 55 Ų | 55 | 75.3 Ų | 75.3 | 34% | 0.337 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -13 | -171.9 | 45.9 | 0 | 0 | 0 | 0 | 115.1 | Q43 E46 | Q43-T48 WeakPolarHBondContact CB-OG1 3.36Å; Q43-T48 PolarHBondContact OE1-OG1 3.45Å; E46-T48 HydrophobicContact CB-CG2 3.94Å |
| 49 | I | 82.9 | Confident | 81.5 | Confident | 54 Ų | 54 | 72.9 Ų | 72.9 | 28% | 0.277 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 120.6 | 177.8 | -59.1 | 170.1 | 0 | 0 | 0 | 108.8 | R41 Q43 | R41-I49 HydrophobicContact CG-CB 3.6Å; R41-I49 HydrophobicContact CG-CG2 3.62Å; R41-I49 PolarHBondContact N-O 2.91Å; Q43-I49 HydrophobicContact CB-CD1 3.83Å; Q43-I49 HydrophobicContact CB-CG1 3.96Å; Q43-I49 HydrophobicContact CG-CD1 3.92Å; Q43-I49 HydrophobicContact CG-CG1 4.25Å; Q43-I49 VanDerWaalsContact OE1-CG1 3.31Å |
| 50 | P | 85.2 | Confident | 81.1 | Confident | 21 Ų | 21 | 80.9 Ų | 80.9 | 14% | 0.136 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 151.2 | 173.2 | 33 | -36.1 | 0 | 0 | 0 | 111.1 | W40 C64 | W40-P50 HydrophobicContact CE3-CB 4.06Å; W40-P50 HydrophobicContact CH2-CB 4.23Å; W40-P50 HydrophobicContact CZ3-CB 3.82Å; W40-P50 HydrophobicContact CZ3-CG 4.33Å; P50-C64 HydrophobicContact CG-CB 4.28Å; P50-C64 VanDerWaalsContact CG-O 3.27Å; P50-C64 WeakPolarHBondContact CG-O 3.45Å |
| 51 | V | 85 | Confident | 80.7 | Confident | 34 Ų | 34 | 82.3 Ų | 82.3 | 21% | 0.206 | 43% | 0.431 | C | S | . | . | trans | -111 | 117.6 | 179.5 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | G39 R41 E53 P67 | G39-V51 WeakPolarHBondContact O-CB 3.28Å; G39-V51 PolarHBondContact O-N 2.89Å; R41-V51 HydrophobicContact CB-CG2 3.73Å; R41-V51 HydrophobicContact CG-CG2 3.81Å; V51-E53 HydrophobicContact CG1-CB 3.99Å; V51-E53 HydrophobicContact CG1-CG 3.71Å; V51-P67 WeakPolarHBondContact O-CA 3.04Å | ||
| 52 | C | 82.9 | Confident | 80.7 | Confident | 18 Ų | 18 | 77.9 Ų | 77.9 | 12% | 0.122 | 42% | 0.417 | C | S | . | . | trans | -121.2 | 85.5 | 172.2 | -60.2 | 0 | 0 | 0 | 0 | 107 | Q56 A57 C58 C64 F66 | C52-Q56 WeakPolarHBondContact CB-O 3.47Å; C52-A57 WeakPolarHBondContact O-CA 3.04Å; C52-C58 WeakPolarHBondContact CB-SG 3.49Å; C52-C64 HydrophobicContact CB-CB 3.67Å; C52-C64 WeakPolarHBondContact CB-SG 3.16Å; C52-C64 PolarHBondContact N-SG 3.39Å; C52-C64 WeakPolarHBondContact SG-CB 3.34Å; C52-C64 CovalentContact SG-SG 2.04Å; C52-C64 PolarHBondContact SG-SG 3.39Å; C52-F66 PolarHBondContact SG-O 2.72Å | ||
| 53 | E | 79.6 | Confident | 80.7 | Confident | 132 Ų | 132 | 77.9 Ų | 77.9 | 62% | 0.617 | 42% | 0.421 | S | S | * | . | trans | -133.6 | 154.8 | -175.4 | -66.9 | 176.9 | -162.2 | 0 | 0 | 109.1 | V51 | V51-E53 HydrophobicContact CG1-CB 3.99Å; V51-E53 HydrophobicContact CG1-CG 3.71Å | ||
| 54 | G | 77.9 | Confident | 80.8 | Confident | 63 Ų | 63 | 74 Ų | 74 | 65% | 0.649 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | 78.7 | -142.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q56 A57 | G54-Q56 PolarHBondContact O-N 3.27Å; G54-A57 VanDerWaalsContact O-CB 3.24Å; G54-A57 WeakPolarHBondContact O-CB 3.4Å; G54-A57 PolarHBondContact O-N 2.97Å; G54-A57 VanDerWaalsContact O-N 3.08Å |
| 55 | E | 73 | Confident | 80.8 | Confident | 209 Ų | 209 | 75.7 Ų | 75.7 | 98% | 0.977 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -66.4 | -16.1 | -176.4 | -62 | -171.8 | 154.2 | 0 | 0 | 114.1 | ||
| 56 | Q | 69.5 | Low | 80.8 | Confident | 132 Ų | 132 | 74 Ų | 74 | 62% | 0.617 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -110.5 | 30.8 | 173.9 | -60.9 | -175.5 | -15.6 | 0 | 0 | 111.9 | C52 G54 | C52-Q56 WeakPolarHBondContact CB-O 3.47Å; G54-Q56 PolarHBondContact O-N 3.27Å |
| 57 | A | 80.9 | Confident | 80.9 | Confident | 54 Ų | 54 | 72.4 Ų | 72.4 | 45% | 0.446 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 137.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C52 G54 | C52-A57 WeakPolarHBondContact O-CA 3.04Å; G54-A57 VanDerWaalsContact O-CB 3.24Å; G54-A57 WeakPolarHBondContact O-CB 3.4Å; G54-A57 PolarHBondContact O-N 2.97Å; G54-A57 VanDerWaalsContact O-N 3.08Å |
| 58 | C | 81.4 | Confident | 80.5 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 22% | 0.216 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 147.6 | 175.2 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | C52 E62 C70 | C52-C58 WeakPolarHBondContact CB-SG 3.49Å; C58-E62 HydrophobicContact CB-CB 3.86Å; C58-C70 WeakPolarHBondContact CA-SG 3.5Å; C58-C70 HydrophobicContact CB-CB 3.76Å; C58-C70 WeakPolarHBondContact CB-SG 3.37Å; C58-C70 WeakPolarHBondContact SG-CB 3.25Å; C58-C70 CovalentContact SG-SG 2.03Å; C58-C70 PolarHBondContact SG-SG 3.07Å |
| 59 | L | 80.6 | Confident | 80.6 | Confident | 86 Ų | 86 | 73.9 Ų | 73.9 | 45% | 0.45 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 162 | 173.6 | -59 | 179.4 | 0 | 0 | 0 | 110.9 | N61 E62 Q80 | L59-N61 PolarHBondContact O-N 3.3Å; L59-E62 HydrophobicContact CB-CG 4.23Å; L59-E62 PolarHBondContact N-OE2 3.42Å; L59-E62 WeakPolarHBondContact O-CB 3.26Å; L59-E62 PolarHBondContact O-N 3.36Å; L59-Q80 HydrophobicContact CD1-CG 4.04Å |
| 60 | E | 73.6 | Confident | 80.7 | Confident | 197 Ų | 197 | 73 Ų | 73 | 92% | 0.921 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -24 | -172.6 | -169.3 | 174.5 | -160.6 | 0 | 0 | 115.2 | ||
| 61 | N | 75.6 | Confident | 80.7 | Confident | 71 Ų | 71 | 76.3 Ų | 76.3 | 38% | 0.38 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 9.1 | 179.1 | -60.9 | -30.5 | 0 | 0 | 0 | 113.9 | L59 P73 Q80 C81 | L59-N61 PolarHBondContact O-N 3.3Å; N61-P73 WeakPolarHBondContact O-CD 3.36Å; N61-Q80 PolarHBondContact ND2-O 3.46Å; N61-C81 HydrophobicContact CB-CB 3.94Å |
| 62 | E | 84.2 | Confident | 80.7 | Confident | 45 Ų | 45 | 75 Ų | 75 | 21% | 0.21 | 41% | 0.408 | C | S | . | . | trans | -109.2 | 149.5 | -176 | -72.7 | 171.3 | 174.8 | 0 | 0 | 111.8 | C58 L59 C70 C81 | C58-E62 HydrophobicContact CB-CB 3.86Å; L59-E62 HydrophobicContact CB-CG 4.23Å; L59-E62 PolarHBondContact N-OE2 3.42Å; L59-E62 WeakPolarHBondContact O-CB 3.26Å; L59-E62 PolarHBondContact O-N 3.36Å; E62-C70 HydrophobicContact CB-CB 4.18Å; E62-C70 WeakPolarHBondContact OE2-CB 3.49Å; E62-C81 VanDerWaalsContact CG-SG 3.54Å | ||
| 63 | V | 84.9 | Confident | 80.7 | Confident | 74 Ų | 74 | 76 Ų | 76 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.7 | 177.7 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | I65 R71 P73 | V63-I65 HydrophobicContact CG1-CG2 4.35Å; V63-I65 PolarHBondContact O-N 3.27Å; V63-R71 PolarHBondContact N-O 2.78Å; V63-R71 PolarHBondContact O-N 3.05Å; V63-P73 HydrophobicContact CG2-CB 4.27Å |
| 64 | C | 86.2 | Confident | 80.8 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 22% | 0.216 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 115.7 | 168.2 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | P50 C52 | P50-C64 HydrophobicContact CG-CB 4.28Å; P50-C64 VanDerWaalsContact CG-O 3.27Å; P50-C64 WeakPolarHBondContact CG-O 3.45Å; C52-C64 HydrophobicContact CB-CB 3.67Å; C52-C64 WeakPolarHBondContact CB-SG 3.16Å; C52-C64 PolarHBondContact N-SG 3.39Å; C52-C64 WeakPolarHBondContact SG-CB 3.34Å; C52-C64 CovalentContact SG-SG 2.04Å; C52-C64 PolarHBondContact SG-SG 3.39Å |
| 65 | I | 82 | Confident | 80.8 | Confident | 74 Ų | 74 | 69.4 Ų | 69.4 | 38% | 0.379 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -17.4 | -178.7 | 58.5 | 145.6 | 0 | 0 | 0 | 113.5 | V63 V69 R71 | V63-I65 HydrophobicContact CG1-CG2 4.35Å; V63-I65 PolarHBondContact O-N 3.27Å; I65-V69 HydrophobicContact CD1-CG1 4.31Å; I65-V69 HydrophobicContact CG1-CG1 4.25Å; I65-V69 WeakPolarHBondContact CG1-O 3.44Å; I65-V69 PolarHBondContact N-O 3.45Å; I65-V69 VanDerWaalsContact N-O 3.1Å; I65-R71 HydrophobicContact CD1-CG 3.93Å; I65-R71 HydrophobicContact CG1-CG 4.19Å |
| 66 | F | 81.8 | Confident | 81.3 | Confident | 109 Ų | 109 | 63.4 Ų | 63.4 | 48% | 0.478 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 149.7 | 178.2 | -171.8 | -86.2 | 0 | 0 | 0 | 106.2 | W40 C52 G68 V69 | W40-F66 HydrophobicContact CH2-CD2 4.08Å; W40-F66 AromaticContact CZ2-CD2 3.61Å; W40-F66 HydrophobicContact CZ2-CD2 3.61Å; W40-F66 AromaticContact CZ2-CE2 3.71Å; W40-F66 HydrophobicContact CZ2-CE2 3.71Å; W40-F66 HydrophobicContact CZ2-CG 4.31Å; W40-F66 HydrophobicContact CZ2-CZ 4.47Å; C52-F66 PolarHBondContact SG-O 2.72Å; F66-G68 PolarHBondContact O-N 3.05Å; F66-V69 HydrophobicContact CB-CB 4.14Å; F66-V69 HydrophobicContact CB-CG2 4.42Å; F66-V69 HydrophobicContact CD1-CG2 4.2Å; F66-V69 PolarHBondContact O-N 2.85Å |
| 67 | P | 83.6 | Confident | 81.9 | Confident | 29 Ų | 29 | 61 Ų | 61 | 19% | 0.188 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 127.3 | 179.5 | 3.9 | -19.4 | 0 | 0 | 0 | 114 | G39 W40 V51 V69 | G39-P67 VanDerWaalsContact O-CB 3.29Å; G39-P67 WeakPolarHBondContact O-CB 3.45Å; G39-P67 WeakPolarHBondContact O-CG 3.45Å; W40-P67 HydrophobicContact CD2-CG 4.47Å; W40-P67 VanDerWaalsContact CE2-CD 3.5Å; W40-P67 HydrophobicContact CZ2-CG 4.27Å; V51-P67 WeakPolarHBondContact O-CA 3.04Å; P67-V69 PolarHBondContact O-N 2.04Å |
| 68 | G | 78.2 | Confident | 81.8 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 26% | 0.258 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 5.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116 | F66 | F66-G68 PolarHBondContact O-N 3.05Š|
| 69 | V | 84.3 | Confident | 81.4 | Confident | 61 Ų | 61 | 63.1 Ų | 63.1 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 104.5 | -178.2 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | I65 F66 P67 | I65-V69 HydrophobicContact CD1-CG1 4.31Å; I65-V69 HydrophobicContact CG1-CG1 4.25Å; I65-V69 WeakPolarHBondContact CG1-O 3.44Å; I65-V69 PolarHBondContact N-O 3.45Å; I65-V69 VanDerWaalsContact N-O 3.1Å; F66-V69 HydrophobicContact CB-CB 4.14Å; F66-V69 HydrophobicContact CB-CG2 4.42Å; F66-V69 HydrophobicContact CD1-CG2 4.2Å; F66-V69 PolarHBondContact O-N 2.85Å; P67-V69 PolarHBondContact O-N 2.04Å |
| 70 | C | 84.4 | Confident | 81.1 | Confident | 36 Ų | 36 | 63.7 Ų | 63.7 | 24% | 0.243 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 146.1 | 176.9 | -53.1 | 0 | 0 | 0 | 0 | 110.8 | C58 E62 | C58-C70 WeakPolarHBondContact CA-SG 3.5Å; C58-C70 HydrophobicContact CB-CB 3.76Å; C58-C70 WeakPolarHBondContact CB-SG 3.37Å; C58-C70 WeakPolarHBondContact SG-CB 3.25Å; C58-C70 CovalentContact SG-SG 2.03Å; C58-C70 PolarHBondContact SG-SG 3.07Å; E62-C70 HydrophobicContact CB-CB 4.18Å; E62-C70 WeakPolarHBondContact OE2-CB 3.49Å |
| 71 | R | 84.3 | Confident | 81.2 | Confident | 89 Ų | 89 | 54.6 Ų | 54.6 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 162.1 | 171 | -71.8 | -167.6 | -171.8 | 175.4 | 10.1 | 110.9 | V63 I65 D94 | V63-R71 PolarHBondContact N-O 2.78Å; V63-R71 PolarHBondContact O-N 3.05Å; I65-R71 HydrophobicContact CD1-CG 3.93Å; I65-R71 HydrophobicContact CG1-CG 4.19Å; R71-D94 VanDerWaalsContact CD-OD2 3.26Å; R71-D94 WeakPolarHBondContact CD-OD2 3.3Å; R71-D94 WeakPolarHBondContact CG-OD2 3.26Å; R71-D94 IonicContact NE-OD2 3.75Å |
| 72 | C | 86 | Confident | 81 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 148.5 | 171.5 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | F76 G78 C81 P93 D94 | C72-F76 HydrophobicContact CB-CB 4.08Å; C72-F76 VanDerWaalsContact CB-O 3.27Å; C72-F76 WeakPolarHBondContact CB-O 3.49Å; C72-G78 PolarHBondContact SG-O 3.3Å; C72-G78 VanDerWaalsContact SG-O 3.36Å; C72-C81 WeakPolarHBondContact CA-SG 3.23Å; C72-C81 HydrophobicContact CB-CB 3.79Å; C72-C81 WeakPolarHBondContact CB-SG 3.04Å; C72-C81 WeakPolarHBondContact SG-CA 3.11Å; C72-C81 WeakPolarHBondContact SG-CB 3.39Å; C72-C81 CovalentContact SG-SG 2.04Å; C72-C81 PolarHBondContact SG-SG 2.95Å; C72-P93 WeakPolarHBondContact O-CB 3.32Å; C72-D94 WeakPolarHBondContact CB-OD1 3.42Å; C72-D94 PolarHBondContact N-OD1 2.98Å |
| 73 | P | 82.1 | Confident | 80.1 | Confident | 39 Ų | 39 | 58.7 Ų | 58.7 | 25% | 0.253 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 155.4 | 168.5 | 23.8 | -32.9 | 0 | 0 | 0 | 110.9 | N61 V63 G75 F76 | N61-P73 WeakPolarHBondContact O-CD 3.36Å; V63-P73 HydrophobicContact CG2-CB 4.27Å; P73-G75 PolarHBondContact O-N 2.03Å; P73-F76 HydrophobicContact CB-CD2 4.46Å; P73-F76 HydrophobicContact CG-CB 4.33Å; P73-F76 HydrophobicContact CG-CD2 3.87Å; P73-F76 HydrophobicContact CG-CG 4.34Å; P73-F76 PolarHBondContact O-N 3.29Å; P73-F76 VanDerWaalsContact O-N 3.14Å |
| 74 | P | 82.6 | Confident | 79.2 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 36% | 0.357 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 133.7 | 177.9 | -21.9 | 29.7 | 0 | 0 | 0 | 111.5 | P93 V110 | P74-P93 HydrophobicContact CB-CG 4.35Å; P74-P93 HydrophobicContact CG-CG 3.99Å; P74-V110 HydrophobicContact CB-CB 4.38Å; P74-V110 HydrophobicContact CB-CG1 4.08Å |
| 75 | G | 78 | Confident | 78.6 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -6.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | P73 C86 A109 | P73-G75 PolarHBondContact O-N 2.03Å; G75-C86 WeakPolarHBondContact CA-SG 3.02Å; G75-C86 PolarHBondContact O-N 3.06Å; G75-C86 PolarHBondContact O-SG 3.02Å; G75-C86 VanDerWaalsContact O-SG 3.34Å; G75-A109 WeakPolarHBondContact CA-O 3.04Å; G75-A109 PolarHBondContact N-O 3.2Å |
| 76 | F | 83.3 | Confident | 78.5 | Confident | 82 Ų | 82 | 66 Ų | 66 | 36% | 0.36 | 36% | 0.355 | S | S | . | . | trans | -121.1 | 156.7 | 178.8 | -63.2 | -91.6 | 0 | 0 | 0 | 111.8 | C72 P73 C81 D94 | C72-F76 HydrophobicContact CB-CB 4.08Å; C72-F76 VanDerWaalsContact CB-O 3.27Å; C72-F76 WeakPolarHBondContact CB-O 3.49Å; P73-F76 HydrophobicContact CB-CD2 4.46Å; P73-F76 HydrophobicContact CG-CB 4.33Å; P73-F76 HydrophobicContact CG-CD2 3.87Å; P73-F76 HydrophobicContact CG-CG 4.34Å; P73-F76 PolarHBondContact O-N 3.29Å; P73-F76 VanDerWaalsContact O-N 3.14Å; F76-C81 HydrophobicContact CB-CB 4.39Å; F76-D94 VanDerWaalsContact O-CA 3.23Å; F76-D94 WeakPolarHBondContact O-CA 3.38Å; F76-D94 PolarHBondContact O-N 3.36Å | ||
| 77 | Y | 82.6 | Confident | 78.6 | Confident | 81 Ų | 81 | 63.4 Ų | 63.4 | 32% | 0.318 | 35% | 0.349 | S | S | . | . | trans | -153.9 | 169.2 | 178.7 | 73.8 | -67.4 | 0 | 0 | 0 | 112.7 | T83 P87 C95 | Y77-T83 HydrophobicContact CD1-CG2 4.34Å; Y77-T83 HydrophobicContact CE1-CG2 3.59Å; Y77-T83 HydrophobicContact CE2-CG2 4.49Å; Y77-T83 WeakPolarHBondContact O-CB 3.47Å; Y77-T83 PolarHBondContact O-OG1 2.84Å; Y77-P87 HydrophobicContact CE1-CG 4.18Å; Y77-C95 WeakPolarHBondContact CD1-SG 3.21Å; Y77-C95 HydrophobicContact CG-CB 4.4Å | ||
| 78 | G | 78.8 | Confident | 78.4 | Confident | 38 Ų | 38 | 66.7 Ų | 66.7 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 92.4 | 159.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C72 Q80 C81 | C72-G78 PolarHBondContact SG-O 3.3Å; C72-G78 VanDerWaalsContact SG-O 3.36Å; G78-Q80 PolarHBondContact O-N 3.42Å; G78-C81 PolarHBondContact O-N 3.26Å |
| 79 | A | 72.9 | Confident | 78.7 | Confident | 94 Ų | 94 | 66.5 Ų | 66.5 | 78% | 0.777 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 12.8 | -162.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 80 | Q | 74 | Confident | 78.8 | Confident | 97 Ų | 97 | 67.7 Ų | 67.7 | 45% | 0.453 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.2 | 8.9 | 168.6 | -61.6 | -168.3 | -5.4 | 0 | 0 | 112 | L59 N61 G78 K82 | L59-Q80 HydrophobicContact CD1-CG 4.04Å; N61-Q80 PolarHBondContact ND2-O 3.46Å; G78-Q80 PolarHBondContact O-N 3.42Å; Q80-K82 HydrophobicContact CB-CD 4Å; Q80-K82 HydrophobicContact CB-CG 4.17Å; Q80-K82 PolarHBondContact O-N 2.96Å |
| 81 | C | 75.6 | Confident | 79 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 5% | 0.047 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 53.7 | 22.7 | -175.9 | -44.5 | 0 | 0 | 0 | 0 | 115.6 | N61 E62 C72 F76 G78 | N61-C81 HydrophobicContact CB-CB 3.94Å; E62-C81 VanDerWaalsContact CG-SG 3.54Å; C72-C81 WeakPolarHBondContact CA-SG 3.23Å; C72-C81 HydrophobicContact CB-CB 3.79Å; C72-C81 WeakPolarHBondContact CB-SG 3.04Å; C72-C81 WeakPolarHBondContact SG-CA 3.11Å; C72-C81 WeakPolarHBondContact SG-CB 3.39Å; C72-C81 CovalentContact SG-SG 2.04Å; C72-C81 PolarHBondContact SG-SG 2.95Å; F76-C81 HydrophobicContact CB-CB 4.39Å; G78-C81 PolarHBondContact O-N 3.26Å |
| 82 | K | 70.3 | Confident | 78.9 | Confident | 149 Ų | 149 | 64.6 Ų | 64.6 | 65% | 0.648 | 35% | 0.346 | S | S | * | . | trans | -89.9 | 3.1 | -178.8 | -74.1 | 173 | -175.2 | 170.3 | 0 | 114.3 | Q80 | Q80-K82 HydrophobicContact CB-CD 4Å; Q80-K82 HydrophobicContact CB-CG 4.17Å; Q80-K82 PolarHBondContact O-N 2.96Å | ||
| 83 | T | 66.9 | Low | 78.8 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 32% | 0.319 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -76 | 147 | 179.8 | -37.3 | 0 | 0 | 0 | 0 | 110.2 | Y77 | Y77-T83 HydrophobicContact CD1-CG2 4.34Å; Y77-T83 HydrophobicContact CE1-CG2 3.59Å; Y77-T83 HydrophobicContact CE2-CG2 4.49Å; Y77-T83 WeakPolarHBondContact O-CB 3.47Å; Y77-T83 PolarHBondContact O-OG1 2.84Å |
| 84 | E | 65.4 | Low | 78.8 | Confident | 170 Ų | 170 | 66.2 Ų | 66.2 | 79% | 0.794 | 35% | 0.354 | S | S | * | . | trans | -51.6 | 160.7 | 163.3 | -59.1 | -76.1 | 134.2 | 0 | 0 | 111.1 | ||||
| 85 | E | 72.6 | Confident | 79 | Confident | 155 Ų | 155 | 64 Ų | 64 | 72% | 0.724 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -44 | 150.8 | -171.5 | -56.8 | -178.1 | 154.1 | 0 | 0 | 115.2 | ||
| 86 | C | 80.6 | Confident | 79.2 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | trans | -41.3 | 133 | 177.7 | -74.8 | 0 | 0 | 0 | 0 | 113.4 | G75 L88 C95 A109 | G75-C86 WeakPolarHBondContact CA-SG 3.02Å; G75-C86 PolarHBondContact O-N 3.06Å; G75-C86 PolarHBondContact O-SG 3.02Å; G75-C86 VanDerWaalsContact O-SG 3.34Å; C86-L88 PolarHBondContact O-N 3.12Å; C86-C95 WeakPolarHBondContact CA-SG 3.31Å; C86-C95 HydrophobicContact CB-CB 3.87Å; C86-C95 WeakPolarHBondContact CB-SG 3.49Å; C86-C95 VanDerWaalsContact SG-CA 3.59Å; C86-C95 WeakPolarHBondContact SG-CB 2.98Å; C86-C95 CovalentContact SG-SG 2.03Å; C86-C95 PolarHBondContact SG-SG 3.02Å; C86-A109 HydrophobicContact CB-CB 3.88Å | ||
| 87 | P | 84.9 | Confident | 79.4 | Confident | 54 Ų | 54 | 72.7 Ų | 72.7 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | trans | -56.4 | 140.8 | 177.7 | -22.8 | 32.7 | 0 | 0 | 0 | 110.8 | Y77 A89 F90 | Y77-P87 HydrophobicContact CE1-CG 4.18Å; P87-A89 PolarHBondContact O-N 3.4Å; P87-F90 HydrophobicContact CB-CD2 4.35Å; P87-F90 PolarHBondContact O-N 2.02Å | ||
| 88 | L | 79.6 | Confident | 79.8 | Confident | 99 Ų | 99 | 73.2 Ų | 73.2 | 52% | 0.518 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -12.1 | -166.3 | -60 | 175.1 | 0 | 0 | 0 | 117.3 | C86 R106 | C86-L88 PolarHBondContact O-N 3.12Å; L88-R106 HydrophobicContact CD2-CB 4.13Å |
| 89 | A | 83.3 | Confident | 80.3 | Confident | 20 Ų | 20 | 71.5 Ų | 71.5 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P87 V98 C99 | P87-A89 PolarHBondContact O-N 3.4Å; A89-V98 CarbonylContact O-C 3.55Å; A89-V98 WeakPolarHBondContact O-CA 3.43Å; A89-C99 PolarHBondContact O-N 3.47Å |
| 90 | F | 86.4 | Confident | 81 | Confident | 87 Ų | 87 | 70.6 Ų | 70.6 | 38% | 0.382 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 160.8 | -169.3 | -62.2 | -85 | 0 | 0 | 0 | 113.7 | P87 C95 Q97 V98 | P87-F90 HydrophobicContact CB-CD2 4.35Å; P87-F90 PolarHBondContact O-N 2.02Å; F90-C95 HydrophobicContact CB-CB 4.06Å; F90-C95 WeakPolarHBondContact CB-O 3.4Å; F90-Q97 CarbonylContact C-O 3.5Å; F90-Q97 WeakPolarHBondContact CA-O 3.1Å; F90-V98 HydrophobicContact CD1-CG2 4.21Å; F90-V98 HydrophobicContact CE1-CG2 3.91Å |
| 91 | W | 88.3 | Confident | 81.7 | Confident | 51 Ų | 51 | 66.1 Ų | 66.1 | 19% | 0.193 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | -178.3 | -180 | 65.3 | -74.7 | 0 | 0 | 0 | 112.1 | C95 R96 Q97 V98 C107 G112 | W91-C95 CarbonylContact O-C 3.45Å; W91-C95 VanDerWaalsContact O-C 3.29Å; W91-C95 WeakPolarHBondContact O-CA 3.43Å; W91-R96 PolarHBondContact O-N 3.42Å; W91-Q97 HydrophobicContact CD2-CB 4.16Å; W91-Q97 HydrophobicContact CG-CB 4.35Å; W91-Q97 HydrophobicContact CZ2-CB 4.17Å; W91-Q97 PolarHBondContact N-O 2.94Å; W91-Q97 PolarHBondContact O-N 3.29Å; W91-Q97 VanDerWaalsContact O-N 3.08Å; W91-V98 PolarHBondContact NE1-O 3.4Å; W91-C107 HydrophobicContact CB-CB 4Å; W91-C107 HydrophobicContact CG-CB 4.19Å; W91-G112 VanDerWaalsContact CE3-N 3.32Å |
| 92 | A | 83.7 | Confident | 82.4 | Confident | 9 Ų | 9 | 70.2 Ų | 70.2 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 73 | 177.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | C95 Q97 A109 | A92-C95 WeakPolarHBondContact O-CA 2.99Å; A92-C95 PolarHBondContact O-N 3.24Å; A92-Q97 HydrophobicContact CB-CB 4.24Å; A92-Q97 HydrophobicContact CB-CG 4.07Å; A92-A109 PolarHBondContact N-O 2.85Å |
| 93 | P | 83.6 | Confident | 83.2 | Confident | 47 Ų | 47 | 66.9 Ų | 66.9 | 31% | 0.305 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -53.5 | 136.2 | 176.2 | -31.1 | 38.5 | 0 | 0 | 0 | 113.6 | C72 P74 C95 R96 | C72-P93 WeakPolarHBondContact O-CB 3.32Å; P74-P93 HydrophobicContact CB-CG 4.35Å; P74-P93 HydrophobicContact CG-CG 3.99Å; P93-C95 PolarHBondContact O-N 3.37Å; P93-C95 VanDerWaalsContact O-N 3.09Å; P93-R96 WeakPolarHBondContact O-CG 3.36Å; P93-R96 PolarHBondContact O-N 2.94Å |
| 94 | D | 82.5 | Confident | 84.2 | Confident | 31 Ų | 31 | 67.8 Ų | 67.8 | 17% | 0.166 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | 49.8 | 21.7 | -169.2 | -29.1 | -56.2 | 0 | 0 | 0 | 114.5 | R71 C72 F76 R96 | R71-D94 VanDerWaalsContact CD-OD2 3.26Å; R71-D94 WeakPolarHBondContact CD-OD2 3.3Å; R71-D94 WeakPolarHBondContact CG-OD2 3.26Å; R71-D94 IonicContact NE-OD2 3.75Å; C72-D94 WeakPolarHBondContact CB-OD1 3.42Å; C72-D94 PolarHBondContact N-OD1 2.98Å; F76-D94 VanDerWaalsContact O-CA 3.23Å; F76-D94 WeakPolarHBondContact O-CA 3.38Å; F76-D94 PolarHBondContact O-N 3.36Å; D94-R96 HydrophobicContact CB-CG 3.97Å; D94-R96 PolarHBondContact O-N 3.45Å; D94-R96 IonicContact OD2-CZ 3.05Å; D94-R96 IonicContact OD2-NE 4Å; D94-R96 PolarHBondContact OD2-NE 3.36Å; D94-R96 IonicContact OD2-NH2 2.76Å; D94-R96 PolarHBondContact OD2-NH2 3.43Å |
| 95 | C | 85 | Confident | 85.3 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | 53 | 35 | -177.2 | -48.5 | 0 | 0 | 0 | 0 | 114.2 | Y77 C86 F90 W91 A92 P93 Q97 | Y77-C95 WeakPolarHBondContact CD1-SG 3.21Å; Y77-C95 HydrophobicContact CG-CB 4.4Å; C86-C95 WeakPolarHBondContact CA-SG 3.31Å; C86-C95 HydrophobicContact CB-CB 3.87Å; C86-C95 WeakPolarHBondContact CB-SG 3.49Å; C86-C95 VanDerWaalsContact SG-CA 3.59Å; C86-C95 WeakPolarHBondContact SG-CB 2.98Å; C86-C95 CovalentContact SG-SG 2.03Å; C86-C95 PolarHBondContact SG-SG 3.02Å; F90-C95 HydrophobicContact CB-CB 4.06Å; F90-C95 WeakPolarHBondContact CB-O 3.4Å; W91-C95 CarbonylContact O-C 3.45Å; W91-C95 VanDerWaalsContact O-C 3.29Å; W91-C95 WeakPolarHBondContact O-CA 3.43Å; A92-C95 WeakPolarHBondContact O-CA 2.99Å; A92-C95 PolarHBondContact O-N 3.24Å; P93-C95 PolarHBondContact O-N 3.37Å; P93-C95 VanDerWaalsContact O-N 3.09Å; C95-Q97 PolarHBondContact O-N 2.96Å |
| 96 | R | 83.9 | Confident | 86 | Confident | 162 Ų | 162 | 58.5 Ų | 58.5 | 61% | 0.611 | 30% | 0.296 | S | S | * | . | trans | -78 | -15.4 | -172.2 | -59.2 | -176.1 | -167.5 | -130.7 | 3.1 | 115.2 | W91 P93 D94 | W91-R96 PolarHBondContact O-N 3.42Å; P93-R96 WeakPolarHBondContact O-CG 3.36Å; P93-R96 PolarHBondContact O-N 2.94Å; D94-R96 HydrophobicContact CB-CG 3.97Å; D94-R96 PolarHBondContact O-N 3.45Å; D94-R96 IonicContact OD2-CZ 3.05Å; D94-R96 IonicContact OD2-NE 4Å; D94-R96 PolarHBondContact OD2-NE 3.36Å; D94-R96 IonicContact OD2-NH2 2.76Å; D94-R96 PolarHBondContact OD2-NH2 3.43Å | ||
| 97 | Q | 87.3 | Confident | 86.5 | Confident | 105 Ų | 105 | 58.8 Ų | 58.8 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 145.6 | 179.7 | -63.4 | -157.9 | 22.9 | 0 | 0 | 111.7 | F90 W91 A92 C95 | F90-Q97 CarbonylContact C-O 3.5Å; F90-Q97 WeakPolarHBondContact CA-O 3.1Å; W91-Q97 HydrophobicContact CD2-CB 4.16Å; W91-Q97 HydrophobicContact CG-CB 4.35Å; W91-Q97 HydrophobicContact CZ2-CB 4.17Å; W91-Q97 PolarHBondContact N-O 2.94Å; W91-Q97 PolarHBondContact O-N 3.29Å; W91-Q97 VanDerWaalsContact O-N 3.08Å; A92-Q97 HydrophobicContact CB-CB 4.24Å; A92-Q97 HydrophobicContact CB-CG 4.07Å; C95-Q97 PolarHBondContact O-N 2.96Å |
| 98 | V | 89.5 | Confident | 86.6 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 56% | 0.558 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 140.4 | 179.3 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | A89 F90 W91 P100 | A89-V98 CarbonylContact O-C 3.55Å; A89-V98 WeakPolarHBondContact O-CA 3.43Å; F90-V98 HydrophobicContact CD1-CG2 4.21Å; F90-V98 HydrophobicContact CE1-CG2 3.91Å; W91-V98 PolarHBondContact NE1-O 3.4Å; V98-P100 VanDerWaalsContact O-CD 3.25Å; V98-P100 WeakPolarHBondContact O-CD 3.45Å |
| 99 | C | 89.4 | Confident | 86.8 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | trans | -65.6 | 111.6 | 171.3 | 150.6 | 0 | 0 | 0 | 0 | 109.3 | A89 C101 H102 C107 | A89-C99 PolarHBondContact O-N 3.47Å; C99-C101 WeakPolarHBondContact CB-SG 3.45Å; C99-C101 PolarHBondContact O-N 2.96Å; C99-C101 VanDerWaalsContact O-N 3.1Å; C99-C101 VanDerWaalsContact SG-C 3.53Å; C99-C101 WeakPolarHBondContact SG-CB 3.49Å; C99-C101 CovalentContact SG-SG 2.05Å; C99-C101 PolarHBondContact SG-SG 2.95Å; C99-H102 HydrophobicContact CB-CB 4.16Å; C99-H102 WeakPolarHBondContact O-CB 3.44Å; C99-H102 PolarHBondContact O-N 2.83Å; C99-H102 PolarHBondContact SG-N 3.47Å; C99-C107 WeakPolarHBondContact CA-SG 3.4Å; C99-C107 HydrophobicContact CB-CB 3.96Å; C99-C107 WeakPolarHBondContact CB-SG 3.29Å | ||
| 100 | P | 88.1 | Confident | 86.8 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -10.9 | 177.6 | 31.2 | -36.4 | 0 | 0 | 0 | 112.1 | V98 L124 | V98-P100 VanDerWaalsContact O-CD 3.25Å; V98-P100 WeakPolarHBondContact O-CD 3.45Å; P100-L124 HydrophobicContact CB-CD2 3.95Å; P100-L124 HydrophobicContact CG-CD2 3.81Å |
| 101 | C | 89.7 | Confident | 86.9 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -16.6 | 168.3 | 34.6 | 0 | 0 | 0 | 0 | 115.4 | C99 H104 G105 R106 C107 C114 | C99-C101 WeakPolarHBondContact CB-SG 3.45Å; C99-C101 PolarHBondContact O-N 2.96Å; C99-C101 VanDerWaalsContact O-N 3.1Å; C99-C101 VanDerWaalsContact SG-C 3.53Å; C99-C101 WeakPolarHBondContact SG-CB 3.49Å; C99-C101 CovalentContact SG-SG 2.05Å; C99-C101 PolarHBondContact SG-SG 2.95Å; C101-H104 CarbonylContact O-C 3.57Å; C101-H104 WeakPolarHBondContact O-CA 3.11Å; C101-H104 PolarHBondContact O-N 2.77Å; C101-G105 PolarHBondContact O-N 3.35Å; C101-R106 VanDerWaalsContact SG-C 3.51Å; C101-C107 PolarHBondContact SG-N 3.17Å; C101-C107 VanDerWaalsContact SG-N 3.35Å; C101-C107 PolarHBondContact SG-SG 3.04Å; C101-C114 HydrophobicContact CB-CB 3.89Å; C101-C114 VanDerWaalsContact CB-SG 3.55Å |
| 102 | H | 89.4 | Confident | 86.7 | Confident | 93 Ų | 93 | 56 Ų | 56 | 43% | 0.431 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 135.5 | -168.1 | -165 | 79.3 | 0 | 0 | 0 | 110.9 | C99 | C99-H102 HydrophobicContact CB-CB 4.16Å; C99-H102 WeakPolarHBondContact O-CB 3.44Å; C99-H102 PolarHBondContact O-N 2.83Å; C99-H102 PolarHBondContact SG-N 3.47Å |
| 103 | P | 87.8 | Confident | 86.9 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 52% | 0.519 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -102.4 | 34.6 | 6 | 40.3 | -34.8 | 0 | 0 | 0 | 113.1 | ||
| 104 | H | 87.6 | Confident | 87.1 | Confident | 70 Ų | 70 | 60.7 Ų | 60.7 | 32% | 0.324 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -9.7 | -171.3 | -72.7 | -1.6 | 0 | 0 | 0 | 114.1 | C101 Y117 R120 C125 | C101-H104 CarbonylContact O-C 3.57Å; C101-H104 WeakPolarHBondContact O-CA 3.11Å; C101-H104 PolarHBondContact O-N 2.77Å; H104-Y117 VanDerWaalsContact C-CD2 3.44Å; H104-Y117 VanDerWaalsContact O-CD2 3.26Å; H104-Y117 WeakPolarHBondContact O-CD2 3.01Å; H104-Y117 PolarHBondContact O-N 3.48Å; H104-R120 HydrophobicContact CB-CG 4.03Å; H104-R120 PolarHBondContact CD2-NE 3.24Å; H104-R120 VanDerWaalsContact CD2-NE 3.27Å; H104-R120 PolarHBondContact CE1-NH2 3.01Å; H104-R120 PolarHBondContact NE2-NH2 2.04Å; H104-C125 HydrophobicContact CB-CB 4.09Å |
| 105 | G | 87.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | -166.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | C101 T115 | C101-G105 PolarHBondContact O-N 3.35Å; G105-T115 CarbonylContact C-O 3.47Å; G105-T115 WeakPolarHBondContact CA-O 3.18Å |
| 106 | R | 88.7 | Confident | 87.6 | Confident | 130 Ų | 130 | 61.4 Ų | 61.4 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.8 | 174.4 | 65.2 | -175 | -177 | 162.8 | 7.6 | 109.8 | L88 C101 T115 | L88-R106 HydrophobicContact CD2-CB 4.13Å; C101-R106 VanDerWaalsContact SG-C 3.51Å; R106-T115 WeakPolarHBondContact CG-OG1 3.48Å; R106-T115 PolarHBondContact N-O 2.87Å; R106-T115 PolarHBondContact NE-OG1 3.48Å; R106-T115 PolarHBondContact O-N 3.18Å; R106-T115 PolarHBondContact O-OG1 3.04Å |
| 107 | C | 89.9 | Confident | 87.8 | Confident | 16 Ų | 16 | 58 Ų | 58 | 11% | 0.108 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 154.5 | 170.3 | -86.3 | 0 | 0 | 0 | 0 | 111.1 | W91 C99 C101 G112 E113 | W91-C107 HydrophobicContact CB-CB 4Å; W91-C107 HydrophobicContact CG-CB 4.19Å; C99-C107 WeakPolarHBondContact CA-SG 3.4Å; C99-C107 HydrophobicContact CB-CB 3.96Å; C99-C107 WeakPolarHBondContact CB-SG 3.29Å; C101-C107 PolarHBondContact SG-N 3.17Å; C101-C107 VanDerWaalsContact SG-N 3.35Å; C101-C107 PolarHBondContact SG-SG 3.04Å; C107-G112 PolarHBondContact SG-O 2.9Å; C107-E113 CarbonylContact C-O 3.56Å; C107-E113 WeakPolarHBondContact CA-O 3.11Å |
| 108 | N | 88.6 | Confident | 87.6 | Confident | 66 Ų | 66 | 57.6 Ų | 57.6 | 35% | 0.353 | 32% | 0.315 | S | S | . | . | trans | -66.1 | 123.8 | 147.7 | 178.4 | -31.5 | 0 | 0 | 0 | 108.2 | V110 T111 G112 E113 | N108-V110 PolarHBondContact O-N 2.88Å; N108-V110 WeakPolarHBondContact OD1-CB 3.38Å; N108-V110 PolarHBondContact OD1-N 3.05Å; N108-T111 WeakPolarHBondContact CB-OG1 3.38Å; N108-T111 PolarHBondContact ND2-OG1 2.97Å; N108-T111 PolarHBondContact O-N 2.82Å; N108-T111 PolarHBondContact OD1-N 2.91Å; N108-G112 WeakPolarHBondContact O-CA 3.4Å; N108-G112 PolarHBondContact O-N 2.95Å; N108-E113 HydrophobicContact CB-CB 4.16Å; N108-E113 PolarHBondContact N-O 3.34Å | ||
| 109 | A | 83.1 | Confident | 87.3 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G75 C86 A92 | G75-A109 WeakPolarHBondContact CA-O 3.04Å; G75-A109 PolarHBondContact N-O 3.2Å; C86-A109 HydrophobicContact CB-CB 3.88Å; A92-A109 PolarHBondContact N-O 2.85Å |
| 110 | V | 84 | Confident | 87.2 | Confident | 81 Ų | 81 | 59.6 Ų | 59.6 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -51 | 179.3 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | P74 N108 | P74-V110 HydrophobicContact CB-CB 4.38Å; P74-V110 HydrophobicContact CB-CG1 4.08Å; N108-V110 PolarHBondContact O-N 2.88Å; N108-V110 WeakPolarHBondContact OD1-CB 3.38Å; N108-V110 PolarHBondContact OD1-N 3.05Å |
| 111 | T | 86.8 | Confident | 87.3 | Confident | 79 Ų | 79 | 59.5 Ų | 59.5 | 49% | 0.485 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -13.4 | -166.5 | 64.7 | 0 | 0 | 0 | 0 | 115.2 | N108 E113 | N108-T111 WeakPolarHBondContact CB-OG1 3.38Å; N108-T111 PolarHBondContact ND2-OG1 2.97Å; N108-T111 PolarHBondContact O-N 2.82Å; N108-T111 PolarHBondContact OD1-N 2.91Å; T111-E113 PolarHBondContact O-N 2.82Å; T111-E113 WeakPolarHBondContact OG1-CB 3.42Å; T111-E113 PolarHBondContact OG1-N 3.05Å |
| 112 | G | 84.2 | Confident | 87.2 | Confident | 10 Ų | 10 | 59.8 Ų | 59.8 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | trans | 76 | 1.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | W91 C107 N108 C114 | W91-G112 VanDerWaalsContact CE3-N 3.32Å; C107-G112 PolarHBondContact SG-O 2.9Å; N108-G112 WeakPolarHBondContact O-CA 3.4Å; N108-G112 PolarHBondContact O-N 2.95Å; G112-C114 PolarHBondContact O-N 3.19Å | ||
| 113 | E | 88.6 | Confident | 87 | Confident | 128 Ų | 128 | 60.3 Ų | 60.3 | 60% | 0.598 | 33% | 0.327 | S | S | * | . | trans | -62.6 | 131.1 | -178.5 | -171.3 | -177.6 | 179.8 | 0 | 0 | 112.1 | C107 N108 T111 | C107-E113 CarbonylContact C-O 3.56Å; C107-E113 WeakPolarHBondContact CA-O 3.11Å; N108-E113 HydrophobicContact CB-CB 4.16Å; N108-E113 PolarHBondContact N-O 3.34Å; T111-E113 PolarHBondContact O-N 2.82Å; T111-E113 WeakPolarHBondContact OG1-CB 3.42Å; T111-E113 PolarHBondContact OG1-N 3.05Å | ||
| 114 | C | 88.3 | Confident | 87 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121.2 | -172.5 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | C101 G112 P123 | C101-C114 HydrophobicContact CB-CB 3.89Å; C101-C114 VanDerWaalsContact CB-SG 3.55Å; G112-C114 PolarHBondContact O-N 3.19Å; C114-P123 VanDerWaalsContact CB-O 3.3Å; C114-P123 WeakPolarHBondContact CB-O 3.06Å |
| 115 | T | 88.9 | Confident | 87.1 | Confident | 46 Ų | 46 | 57 Ų | 57 | 28% | 0.282 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 116.7 | 171.3 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | G105 R106 | G105-T115 CarbonylContact C-O 3.47Å; G105-T115 WeakPolarHBondContact CA-O 3.18Å; R106-T115 WeakPolarHBondContact CG-OG1 3.48Å; R106-T115 PolarHBondContact N-O 2.87Å; R106-T115 PolarHBondContact NE-OG1 3.48Å; R106-T115 PolarHBondContact O-N 3.18Å; R106-T115 PolarHBondContact O-OG1 3.04Å |
| 116 | C | 89.1 | Confident | 87.1 | Confident | 9 Ų | 9 | 61.7 Ų | 61.7 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 146.4 | -170.3 | -51.7 | 0 | 0 | 0 | 0 | 114.3 | R120 G122 C125 | C116-R120 HydrophobicContact CB-CB 4.17Å; C116-R120 WeakPolarHBondContact CB-O 3.18Å; C116-G122 PolarHBondContact SG-O 3.44Å; C116-C125 WeakPolarHBondContact CA-SG 3.25Å; C116-C125 HydrophobicContact CB-CB 3.68Å; C116-C125 WeakPolarHBondContact CB-SG 3.03Å; C116-C125 WeakPolarHBondContact SG-CA 3.5Å; C116-C125 WeakPolarHBondContact SG-CB 3.01Å; C116-C125 CovalentContact SG-SG 2.04Å; C116-C125 PolarHBondContact SG-SG 3.02Å |
| 117 | Y | 87.2 | Confident | 87.1 | Confident | 92 Ų | 92 | 58.3 Ų | 58.3 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | trans | -67.7 | 155.7 | 169.2 | -63.1 | -53.6 | 0 | 0 | 0 | 111.1 | H104 T119 R120 | H104-Y117 VanDerWaalsContact C-CD2 3.44Å; H104-Y117 VanDerWaalsContact O-CD2 3.26Å; H104-Y117 WeakPolarHBondContact O-CD2 3.01Å; H104-Y117 PolarHBondContact O-N 3.48Å; Y117-T119 PolarHBondContact O-N 2.97Å; Y117-R120 PolarHBondContact O-N 3.39Å | ||
| 118 | P | 82.6 | Confident | 87 | Confident | 96 Ų | 96 | 61.3 Ų | 61.3 | 62% | 0.623 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -16.3 | -169.8 | -27.4 | 36 | 0 | 0 | 0 | 117 | ||
| 119 | T | 83.4 | Confident | 86.9 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 53% | 0.528 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 9.3 | 177 | 62 | 0 | 0 | 0 | 0 | 113.3 | Y117 C129 | Y117-T119 PolarHBondContact O-N 2.97Å; T119-C129 VanDerWaalsContact C-SG 3.59Å; T119-C129 PolarHBondContact O-N 3.07Å |
| 120 | R | 88.6 | Confident | 87 | Confident | 50 Ų | 50 | 65 Ų | 65 | 19% | 0.189 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 149.3 | -174.5 | -66.5 | -63.9 | -167.2 | -77 | -0.6 | 112.7 | H104 C116 Y117 C125 N127 C129 | H104-R120 HydrophobicContact CB-CG 4.03Å; H104-R120 PolarHBondContact CD2-NE 3.24Å; H104-R120 VanDerWaalsContact CD2-NE 3.27Å; H104-R120 PolarHBondContact CE1-NH2 3.01Å; H104-R120 PolarHBondContact NE2-NH2 2.04Å; C116-R120 HydrophobicContact CB-CB 4.17Å; C116-R120 WeakPolarHBondContact CB-O 3.18Å; Y117-R120 PolarHBondContact O-N 3.39Å; R120-C125 HydrophobicContact CB-CB 4.12Å; R120-C125 WeakPolarHBondContact CD-O 3.4Å; R120-N127 CarbonylContact C-O 3.55Å; R120-N127 VanDerWaalsContact CA-O 3.25Å; R120-N127 WeakPolarHBondContact CA-O 3.05Å; R120-N127 WeakPolarHBondContact CD-O 3.34Å; R120-C129 PolarHBondContact N-SG 3.11Å |
| 121 | W | 90.3 | Very high | 87.1 | Confident | 72 Ų | 72 | 62.6 Ų | 62.6 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 170.6 | 177.8 | 69.6 | -86 | 0 | 0 | 0 | 112.2 | C125 Q126 N127 T128 R139 | W121-C125 CarbonylContact O-C 3.48Å; W121-Q126 PolarHBondContact O-N 3.03Å; W121-N127 HydrophobicContact CD2-CB 3.66Å; W121-N127 HydrophobicContact CE3-CB 4.38Å; W121-N127 HydrophobicContact CG-CB 3.93Å; W121-N127 HydrophobicContact CH2-CB 4.47Å; W121-N127 VanDerWaalsContact CH2-ND2 3.27Å; W121-N127 WeakPolarHBondContact CH2-ND2 3.42Å; W121-N127 HydrophobicContact CZ2-CB 3.76Å; W121-N127 WeakPolarHBondContact CZ2-ND2 3.44Å; W121-N127 WeakPolarHBondContact CZ3-ND2 3.49Å; W121-N127 PolarHBondContact N-O 2.89Å; W121-N127 VanDerWaalsContact NE1-CB 3.3Å; W121-N127 WeakPolarHBondContact O-CB 3.48Å; W121-N127 PolarHBondContact O-N 3.29Å; W121-N127 VanDerWaalsContact O-N 3.1Å; W121-T128 PolarHBondContact NE1-O 3.39Å; W121-R139 VanDerWaalsContact CA-O 3.31Å; W121-R139 WeakPolarHBondContact CA-O 3.12Å; W121-R139 WeakPolarHBondContact CB-O 3.26Å |
| 122 | G | 87 | Confident | 86.8 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 94.8 | 166.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C116 L124 C125 R139 | C116-G122 PolarHBondContact SG-O 3.44Å; G122-L124 PolarHBondContact O-N 3.44Å; G122-L124 VanDerWaalsContact O-N 3.1Å; G122-C125 PolarHBondContact O-N 3.27Å; G122-R139 PolarHBondContact N-O 2.8Å |
| 123 | P | 84.7 | Confident | 86.7 | Confident | 104 Ų | 104 | 63.8 Ų | 63.8 | 68% | 0.675 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.7 | -167.3 | 24.8 | -35.5 | 0 | 0 | 0 | 114.7 | C114 | C114-P123 VanDerWaalsContact CB-O 3.3Å; C114-P123 WeakPolarHBondContact CB-O 3.06Å |
| 124 | L | 87.8 | Confident | 86.5 | Confident | 81 Ų | 81 | 60.1 Ų | 60.1 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 18.4 | 175.2 | -59.7 | 179.7 | 0 | 0 | 0 | 111.6 | P100 G122 Q126 | P100-L124 HydrophobicContact CB-CD2 3.95Å; P100-L124 HydrophobicContact CG-CD2 3.81Å; G122-L124 PolarHBondContact O-N 3.44Å; G122-L124 VanDerWaalsContact O-N 3.1Å; L124-Q126 PolarHBondContact O-N 3.32Å; L124-Q126 VanDerWaalsContact O-N 3.15Å |
| 125 | C | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 58.1 | 26.1 | -178.3 | -47.5 | 0 | 0 | 0 | 0 | 114.1 | H104 C116 R120 W121 G122 | H104-C125 HydrophobicContact CB-CB 4.09Å; C116-C125 WeakPolarHBondContact CA-SG 3.25Å; C116-C125 HydrophobicContact CB-CB 3.68Å; C116-C125 WeakPolarHBondContact CB-SG 3.03Å; C116-C125 WeakPolarHBondContact SG-CA 3.5Å; C116-C125 WeakPolarHBondContact SG-CB 3.01Å; C116-C125 CovalentContact SG-SG 2.04Å; C116-C125 PolarHBondContact SG-SG 3.02Å; R120-C125 HydrophobicContact CB-CB 4.12Å; R120-C125 WeakPolarHBondContact CD-O 3.4Å; W121-C125 CarbonylContact O-C 3.48Å; G122-C125 PolarHBondContact O-N 3.27Å |
| 126 | Q | 88.4 | Confident | 86.3 | Confident | 98 Ų | 98 | 63.2 Ų | 63.2 | 46% | 0.458 | 36% | 0.358 | S | S | . | . | trans | -75.8 | -26.8 | -171.8 | 67.8 | -88.7 | 47.7 | 0 | 0 | 113.7 | W121 L124 | W121-Q126 PolarHBondContact O-N 3.03Å; L124-Q126 PolarHBondContact O-N 3.32Å; L124-Q126 VanDerWaalsContact O-N 3.15Å | ||
| 127 | N | 88.2 | Confident | 86.3 | Confident | 59 Ų | 59 | 63.7 Ų | 63.7 | 32% | 0.316 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 139.4 | -174.2 | -62.5 | -29.1 | 0 | 0 | 0 | 111 | R120 W121 | R120-N127 CarbonylContact C-O 3.55Å; R120-N127 VanDerWaalsContact CA-O 3.25Å; R120-N127 WeakPolarHBondContact CA-O 3.05Å; R120-N127 WeakPolarHBondContact CD-O 3.34Å; W121-N127 HydrophobicContact CD2-CB 3.66Å; W121-N127 HydrophobicContact CE3-CB 4.38Å; W121-N127 HydrophobicContact CG-CB 3.93Å; W121-N127 HydrophobicContact CH2-CB 4.47Å; W121-N127 VanDerWaalsContact CH2-ND2 3.27Å; W121-N127 WeakPolarHBondContact CH2-ND2 3.42Å; W121-N127 HydrophobicContact CZ2-CB 3.76Å; W121-N127 WeakPolarHBondContact CZ2-ND2 3.44Å; W121-N127 WeakPolarHBondContact CZ3-ND2 3.49Å; W121-N127 PolarHBondContact N-O 2.89Å; W121-N127 VanDerWaalsContact NE1-CB 3.3Å; W121-N127 WeakPolarHBondContact O-CB 3.48Å; W121-N127 PolarHBondContact O-N 3.29Å; W121-N127 VanDerWaalsContact O-N 3.1Å |
| 128 | T | 87.3 | Confident | 86.3 | Confident | 80 Ų | 80 | 61.6 Ų | 61.6 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 135.8 | 173.3 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | W121 | W121-T128 PolarHBondContact NE1-O 3.39Å |
| 129 | C | 86.9 | Confident | 86.2 | Confident | 23 Ų | 23 | 63.8 Ų | 63.8 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 132.5 | 169 | -62 | 0 | 0 | 0 | 0 | 110.6 | T119 R120 C137 | T119-C129 VanDerWaalsContact C-SG 3.59Å; T119-C129 PolarHBondContact O-N 3.07Å; R120-C129 PolarHBondContact N-SG 3.11Å; C129-C137 HydrophobicContact CB-CB 3.56Å; C129-C137 WeakPolarHBondContact CB-SG 3.49Å; C129-C137 WeakPolarHBondContact SG-CB 3.4Å; C129-C137 CovalentContact SG-SG 2.03Å; C129-C137 PolarHBondContact SG-SG 2.94Å |
| 130 | Q | 85.4 | Confident | 86.1 | Confident | 136 Ų | 136 | 65.2 Ų | 65.2 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | trans | -101.6 | 21.2 | 179.5 | -63.1 | -175.8 | -4.1 | 0 | 0 | 113 | ||||
| 131 | C | 86.3 | Confident | 85.9 | Confident | 31 Ų | 31 | 66.6 Ų | 66.6 | 21% | 0.209 | 38% | 0.375 | C | S | . | . | trans | -70.9 | 136.1 | 179.2 | -46.5 | 0 | 0 | 0 | 0 | 110.5 | C144 | C131-C144 WeakPolarHBondContact CA-SG 3.42Å; C131-C144 HydrophobicContact CB-CB 3.86Å; C131-C144 WeakPolarHBondContact CB-SG 3.03Å; C131-C144 VanDerWaalsContact SG-CA 3.51Å; C131-C144 WeakPolarHBondContact SG-CB 3.38Å; C131-C144 CovalentContact SG-SG 2.04Å; C131-C144 PolarHBondContact SG-SG 2.88Å | ||
| 132 | S | 80.4 | Confident | 85.6 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 23% | 0.231 | 37% | 0.37 | C | S | . | . | trans | -63.7 | 162.1 | 163 | 74.6 | 0 | 0 | 0 | 0 | 109.8 | N134 G135 M154 C155 | S132-N134 PolarHBondContact O-N 2.85Å; S132-G135 PolarHBondContact O-N 2.03Å; S132-M154 WeakPolarHBondContact CB-O 3.29Å; S132-M154 PolarHBondContact N-O 3.21Å; S132-M154 PolarHBondContact OG-O 3.32Å; S132-M154 VanDerWaalsContact OG-O 3.06Å; S132-C155 PolarHBondContact OG-O 2.85Å | ||
| 133 | G | 82.3 | Confident | 85.6 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 84% | 0.835 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -66.2 | 10.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 134 | N | 83.6 | Confident | 85.7 | Confident | 52 Ų | 52 | 64.4 Ų | 64.4 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -112 | 35.5 | 175.8 | -48.2 | -53.5 | 0 | 0 | 0 | 110.9 | S132 D147 W150 | S132-N134 PolarHBondContact O-N 2.85Å; N134-D147 WeakPolarHBondContact CA-OD2 3.33Å; N134-D147 PolarHBondContact O-N 2.92Å; N134-W150 HydrophobicContact CB-CB 4.17Å; N134-W150 HydrophobicContact CB-CD2 3.61Å; N134-W150 HydrophobicContact CB-CE3 4.23Å; N134-W150 HydrophobicContact CB-CG 3.54Å; N134-W150 VanDerWaalsContact CG-CE2 3.46Å; N134-W150 WeakPolarHBondContact ND2-CH2 3.46Å; N134-W150 VanDerWaalsContact ND2-CZ2 3.33Å; N134-W150 WeakPolarHBondContact ND2-CZ2 3.44Å; N134-W150 WeakPolarHBondContact ND2-CZ3 3.43Å |
| 135 | G | 85.6 | Confident | 85.8 | Confident | 13 Ų | 13 | 65.6 Ų | 65.6 | 13% | 0.134 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | 156.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | S132 I145 D147 | S132-G135 PolarHBondContact O-N 2.03Å; G135-I145 CarbonylContact C-O 3.45Å; G135-I145 WeakPolarHBondContact CA-O 3.43Å; G135-D147 PolarHBondContact N-OD2 2.76Å |
| 136 | H | 87.4 | Confident | 85.8 | Confident | 123 Ų | 123 | 66.6 Ų | 66.6 | 57% | 0.569 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 139.9 | -174.2 | -67.3 | 77.9 | 0 | 0 | 0 | 110.5 | I145 D147 | H136-I145 PolarHBondContact N-O 2.81Å; H136-I145 WeakPolarHBondContact O-CB 3.24Å; H136-I145 PolarHBondContact O-N 3.32Å; H136-D147 IonicContact CE1-OD1 3.78Å; H136-D147 PolarHBondContact CE1-OD1 3.17Å; H136-D147 IonicContact CE1-OD2 2.65Å; H136-D147 IonicContact ND1-OD1 2.69Å; H136-D147 PolarHBondContact ND1-OD1 3.39Å |
| 137 | C | 88.5 | Confident | 85.8 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 13% | 0.128 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 130.8 | -178.6 | -168.3 | 0 | 0 | 0 | 0 | 111.7 | C129 R139 | C129-C137 HydrophobicContact CB-CB 3.56Å; C129-C137 WeakPolarHBondContact CB-SG 3.49Å; C129-C137 WeakPolarHBondContact SG-CB 3.4Å; C129-C137 CovalentContact SG-SG 2.03Å; C129-C137 PolarHBondContact SG-SG 2.94Å; C137-R139 PolarHBondContact O-N 3.43Å |
| 138 | D | 87.2 | Confident | 85.8 | Confident | 49 Ų | 49 | 71 Ų | 71 | 26% | 0.262 | 39% | 0.391 | S | S | . | . | trans | -66.3 | 119.9 | 164.2 | 177.5 | -3.4 | 0 | 0 | 0 | 109.6 | V140 T141 G142 K143 | D138-V140 PolarHBondContact O-N 2.94Å; D138-V140 PolarHBondContact OD1-N 3.43Å; D138-T141 VanDerWaalsContact CG-OG1 3.25Å; D138-T141 PolarHBondContact OD1-N 3.27Å; D138-T141 WeakPolarHBondContact OD2-CB 3.5Å; D138-T141 VanDerWaalsContact OD2-CG2 3.28Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.34Å; D138-T141 PolarHBondContact OD2-OG1 3.01Å; D138-G142 VanDerWaalsContact O-CA 3.26Å; D138-G142 WeakPolarHBondContact O-CA 3.36Å; D138-G142 PolarHBondContact O-N 3.33Å; D138-K143 HydrophobicContact CB-CB 4.48Å; D138-K143 WeakPolarHBondContact CB-O 3.42Å; D138-K143 PolarHBondContact N-O 3.3Å | ||
| 139 | R | 82.2 | Confident | 85.8 | Confident | 141 Ų | 141 | 67.9 Ų | 67.9 | 53% | 0.532 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25 | -177.3 | -59.9 | 178.2 | -174 | 161.7 | 1.7 | 113 | W121 G122 C137 | W121-R139 VanDerWaalsContact CA-O 3.31Å; W121-R139 WeakPolarHBondContact CA-O 3.12Å; W121-R139 WeakPolarHBondContact CB-O 3.26Å; G122-R139 PolarHBondContact N-O 2.8Å; C137-R139 PolarHBondContact O-N 3.43Å |
| 140 | V | 81.2 | Confident | 86 | Confident | 117 Ų | 117 | 70 Ų | 70 | 71% | 0.709 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -53 | -178.6 | -176 | 0 | 0 | 0 | 0 | 110.5 | D138 | D138-V140 PolarHBondContact O-N 2.94Å; D138-V140 PolarHBondContact OD1-N 3.43Å |
| 141 | T | 84.4 | Confident | 86.3 | Confident | 79 Ų | 79 | 66.4 Ų | 66.4 | 49% | 0.485 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -12.1 | -173 | 72.3 | 0 | 0 | 0 | 0 | 115.1 | D138 K143 | D138-T141 VanDerWaalsContact CG-OG1 3.25Å; D138-T141 PolarHBondContact OD1-N 3.27Å; D138-T141 WeakPolarHBondContact OD2-CB 3.5Å; D138-T141 VanDerWaalsContact OD2-CG2 3.28Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.34Å; D138-T141 PolarHBondContact OD2-OG1 3.01Å; T141-K143 PolarHBondContact O-N 3.06Å; T141-K143 VanDerWaalsContact OG1-CB 3.27Å; T141-K143 WeakPolarHBondContact OG1-CB 3.44Å; T141-K143 PolarHBondContact OG1-N 3.48Å |
| 142 | G | 84.3 | Confident | 86.4 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | trans | 72.3 | 1.2 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | D138 | D138-G142 VanDerWaalsContact O-CA 3.26Å; D138-G142 WeakPolarHBondContact O-CA 3.36Å; D138-G142 PolarHBondContact O-N 3.33Å | ||
| 143 | K | 86 | Confident | 86.7 | Confident | 111 Ų | 111 | 72.5 Ų | 72.5 | 48% | 0.483 | 38% | 0.383 | S | S | . | . | trans | -72.1 | 133.6 | -178.9 | -174.9 | -179.9 | 176.9 | -176 | 0 | 110.8 | D138 T141 | D138-K143 HydrophobicContact CB-CB 4.48Å; D138-K143 WeakPolarHBondContact CB-O 3.42Å; D138-K143 PolarHBondContact N-O 3.3Å; T141-K143 PolarHBondContact O-N 3.06Å; T141-K143 VanDerWaalsContact OG1-CB 3.27Å; T141-K143 WeakPolarHBondContact OG1-CB 3.44Å; T141-K143 PolarHBondContact OG1-N 3.48Å | ||
| 144 | C | 87.7 | Confident | 86.9 | Confident | 12 Ų | 12 | 72.6 Ų | 72.6 | 8% | 0.081 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130.4 | 173.3 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | C131 Q153 | C131-C144 WeakPolarHBondContact CA-SG 3.42Å; C131-C144 HydrophobicContact CB-CB 3.86Å; C131-C144 WeakPolarHBondContact CB-SG 3.03Å; C131-C144 VanDerWaalsContact SG-CA 3.51Å; C131-C144 WeakPolarHBondContact SG-CB 3.38Å; C131-C144 CovalentContact SG-SG 2.04Å; C131-C144 PolarHBondContact SG-SG 2.88Å; C144-Q153 WeakPolarHBondContact CB-O 3.31Å; C144-Q153 PolarHBondContact SG-O 2.03Å |
| 145 | I | 89.1 | Confident | 87.3 | Confident | 106 Ų | 106 | 70.1 Ų | 70.1 | 54% | 0.544 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 108.3 | 172.9 | -56.4 | 174 | 0 | 0 | 0 | 106.2 | G135 H136 | G135-I145 CarbonylContact C-O 3.45Å; G135-I145 WeakPolarHBondContact CA-O 3.43Å; H136-I145 PolarHBondContact N-O 2.81Å; H136-I145 WeakPolarHBondContact O-CB 3.24Å; H136-I145 PolarHBondContact O-N 3.32Å |
| 146 | C | 89.9 | Confident | 87.4 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 14% | 0.135 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 144.4 | -171.3 | -50.5 | 0 | 0 | 0 | 0 | 112.8 | W150 S152 C155 P173 | C146-W150 HydrophobicContact CB-CB 4.23Å; C146-W150 VanDerWaalsContact CB-O 3.26Å; C146-W150 WeakPolarHBondContact CB-O 3.24Å; C146-S152 PolarHBondContact SG-O 3.36Å; C146-C155 WeakPolarHBondContact CA-SG 3.46Å; C146-C155 HydrophobicContact CB-CB 3.64Å; C146-C155 WeakPolarHBondContact CB-SG 3.03Å; C146-C155 PolarHBondContact N-SG 2.89Å; C146-C155 WeakPolarHBondContact SG-CA 2.97Å; C146-C155 WeakPolarHBondContact SG-CB 3.27Å; C146-C155 CovalentContact SG-SG 2.04Å; C146-C155 PolarHBondContact SG-SG 2.79Å; C146-P173 HydrophobicContact CB-CB 3.88Å |
| 147 | D | 89 | Confident | 87.5 | Confident | 60 Ų | 60 | 72 Ų | 72 | 32% | 0.321 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 160.2 | 173.6 | -58.4 | -32.4 | 0 | 0 | 0 | 110.2 | N134 G135 H136 G149 W150 | N134-D147 WeakPolarHBondContact CA-OD2 3.33Å; N134-D147 PolarHBondContact O-N 2.92Å; G135-D147 PolarHBondContact N-OD2 2.76Å; H136-D147 IonicContact CE1-OD1 3.78Å; H136-D147 PolarHBondContact CE1-OD1 3.17Å; H136-D147 IonicContact CE1-OD2 2.65Å; H136-D147 IonicContact ND1-OD1 2.69Å; H136-D147 PolarHBondContact ND1-OD1 3.39Å; D147-G149 PolarHBondContact O-N 3.06Å; D147-W150 PolarHBondContact O-N 2.98Å |
| 148 | K | 87.9 | Confident | 87.6 | Confident | 191 Ų | 191 | 77 Ų | 77 | 83% | 0.83 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 130.2 | -175.1 | -66.2 | -173.1 | 179.5 | -174.5 | 0 | 111.3 | ||
| 149 | G | 87.6 | Confident | 87.8 | Confident | 13 Ų | 13 | 75.4 Ų | 75.4 | 13% | 0.134 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 5.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | D147 Q158 C159 | D147-G149 PolarHBondContact O-N 3.06Å; G149-Q158 CarbonylContact O-C 3.51Å; G149-Q158 WeakPolarHBondContact O-CA 3.23Å; G149-Q158 WeakPolarHBondContact O-CG 3.19Å; G149-C159 VanDerWaalsContact CA-SG 3.53Å; G149-C159 PolarHBondContact O-N 3.2Å; G149-C159 PolarHBondContact O-SG 3.05Å; G149-C159 VanDerWaalsContact O-SG 3.41Å |
| 150 | W | 90.4 | Very high | 88.2 | Confident | 68 Ų | 68 | 74.4 Ų | 74.4 | 26% | 0.258 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 151.7 | 176.6 | -64.5 | 88.2 | 0 | 0 | 0 | 113 | N134 C146 D147 C155 K157 Q158 | N134-W150 HydrophobicContact CB-CB 4.17Å; N134-W150 HydrophobicContact CB-CD2 3.61Å; N134-W150 HydrophobicContact CB-CE3 4.23Å; N134-W150 HydrophobicContact CB-CG 3.54Å; N134-W150 VanDerWaalsContact CG-CE2 3.46Å; N134-W150 WeakPolarHBondContact ND2-CH2 3.46Å; N134-W150 VanDerWaalsContact ND2-CZ2 3.33Å; N134-W150 WeakPolarHBondContact ND2-CZ2 3.44Å; N134-W150 WeakPolarHBondContact ND2-CZ3 3.43Å; C146-W150 HydrophobicContact CB-CB 4.23Å; C146-W150 VanDerWaalsContact CB-O 3.26Å; C146-W150 WeakPolarHBondContact CB-O 3.24Å; D147-W150 PolarHBondContact O-N 2.98Å; W150-C155 VanDerWaalsContact CE3-O 3.3Å; W150-K157 CarbonylContact C-O 3.5Å; W150-K157 WeakPolarHBondContact CA-O 3.25Å; W150-Q158 HydrophobicContact CD2-CB 4.48Å; W150-Q158 HydrophobicContact CE3-CB 4.2Å; W150-Q158 HydrophobicContact CH2-CB 4.16Å; W150-Q158 HydrophobicContact CZ2-CB 4.44Å; W150-Q158 HydrophobicContact CZ2-CG 4.38Å; W150-Q158 HydrophobicContact CZ3-CB 4.04Å |
| 151 | W | 90.8 | Very high | 88.7 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 179.9 | -176.8 | 71 | -82.5 | 0 | 0 | 0 | 113.1 | C155 S156 K157 Q158 P173 G176 | W151-C155 CarbonylContact O-C 3.52Å; W151-C155 VanDerWaalsContact O-CA 3.28Å; W151-C155 WeakPolarHBondContact O-CA 3.05Å; W151-S156 PolarHBondContact O-N 2.88Å; W151-K157 HydrophobicContact CD2-CB 3.99Å; W151-K157 HydrophobicContact CD2-CD 4.46Å; W151-K157 HydrophobicContact CG-CB 4.21Å; W151-K157 HydrophobicContact CH2-CD 3.75Å; W151-K157 HydrophobicContact CZ2-CB 4.02Å; W151-K157 HydrophobicContact CZ2-CD 3.58Å; W151-K157 HydrophobicContact CZ2-CG 4.45Å; W151-K157 HydrophobicContact CZ3-CD 4.23Å; W151-K157 PolarHBondContact N-O 3.22Å; W151-K157 PolarHBondContact O-N 3Å; W151-Q158 PolarHBondContact NE1-O 2.91Å; W151-P173 CarbonylContact C-O 3.5Å; W151-P173 WeakPolarHBondContact CA-O 3.43Å; W151-P173 WeakPolarHBondContact CB-O 3.42Å; W151-G176 VanDerWaalsContact CE3-CA 3.45Å |
| 152 | S | 89.2 | Confident | 89 | Confident | 17 Ų | 17 | 68 Ų | 68 | 12% | 0.119 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 83.3 | 164.4 | -170.7 | 80.1 | 0 | 0 | 0 | 0 | 114 | C146 M154 C155 S156 P173 | C146-S152 PolarHBondContact SG-O 3.36Å; S152-M154 PolarHBondContact O-N 3.05Å; S152-C155 PolarHBondContact O-N 3.25Å; S152-S156 PolarHBondContact OG-N 3.47Å; S152-S156 PolarHBondContact OG-OG 3.5Å; S152-P173 PolarHBondContact N-O 3.16Å |
| 153 | Q | 86.8 | Confident | 88.9 | Confident | 175 Ų | 175 | 73 Ų | 73 | 82% | 0.818 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -21.2 | -177 | -67.5 | 171.7 | -27.6 | 0 | 0 | 114.7 | C144 | C144-Q153 WeakPolarHBondContact CB-O 3.31Å; C144-Q153 PolarHBondContact SG-O 2.03Å |
| 154 | M | 87.3 | Confident | 88.8 | Confident | 83 Ų | 83 | 70.2 Ų | 70.2 | 41% | 0.409 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 8.7 | 178 | -60.8 | 170.2 | -177.3 | 0 | 0 | 112.6 | S132 S152 S156 | S132-M154 WeakPolarHBondContact CB-O 3.29Å; S132-M154 PolarHBondContact N-O 3.21Å; S132-M154 PolarHBondContact OG-O 3.32Å; S132-M154 VanDerWaalsContact OG-O 3.06Å; S152-M154 PolarHBondContact O-N 3.05Å; M154-S156 PolarHBondContact O-N 2.96Å; M154-S156 VanDerWaalsContact O-N 3.08Å |
| 155 | C | 90.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 56.7 | 21.3 | -176.1 | -50.7 | 0 | 0 | 0 | 0 | 114.9 | S132 C146 W150 W151 S152 K157 | S132-C155 PolarHBondContact OG-O 2.85Å; C146-C155 WeakPolarHBondContact CA-SG 3.46Å; C146-C155 HydrophobicContact CB-CB 3.64Å; C146-C155 WeakPolarHBondContact CB-SG 3.03Å; C146-C155 PolarHBondContact N-SG 2.89Å; C146-C155 WeakPolarHBondContact SG-CA 2.97Å; C146-C155 WeakPolarHBondContact SG-CB 3.27Å; C146-C155 CovalentContact SG-SG 2.04Å; C146-C155 PolarHBondContact SG-SG 2.79Å; W150-C155 VanDerWaalsContact CE3-O 3.3Å; W151-C155 CarbonylContact O-C 3.52Å; W151-C155 VanDerWaalsContact O-CA 3.28Å; W151-C155 WeakPolarHBondContact O-CA 3.05Å; S152-C155 PolarHBondContact O-N 3.25Å; C155-K157 PolarHBondContact O-N 3.32Å |
| 156 | S | 89.6 | Confident | 88.7 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 47% | 0.469 | 35% | 0.345 | S | S | . | . | trans | -85.3 | -2 | -171.6 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | W151 S152 M154 | W151-S156 PolarHBondContact O-N 2.88Å; S152-S156 PolarHBondContact OG-N 3.47Å; S152-S156 PolarHBondContact OG-OG 3.5Å; M154-S156 PolarHBondContact O-N 2.96Å; M154-S156 VanDerWaalsContact O-N 3.08Å | ||
| 157 | K | 89 | Confident | 88.6 | Confident | 110 Ų | 110 | 66.9 Ų | 66.9 | 48% | 0.478 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.9 | -179.3 | -63.7 | -175.9 | -179.4 | 178.4 | 0 | 110.8 | W150 W151 C155 | W150-K157 CarbonylContact C-O 3.5Å; W150-K157 WeakPolarHBondContact CA-O 3.25Å; W151-K157 HydrophobicContact CD2-CB 3.99Å; W151-K157 HydrophobicContact CD2-CD 4.46Å; W151-K157 HydrophobicContact CG-CB 4.21Å; W151-K157 HydrophobicContact CH2-CD 3.75Å; W151-K157 HydrophobicContact CZ2-CB 4.02Å; W151-K157 HydrophobicContact CZ2-CD 3.58Å; W151-K157 HydrophobicContact CZ2-CG 4.45Å; W151-K157 HydrophobicContact CZ3-CD 4.23Å; W151-K157 PolarHBondContact N-O 3.22Å; W151-K157 PolarHBondContact O-N 3Å; C155-K157 PolarHBondContact O-N 3.32Å |
| 158 | Q | 90.3 | Very high | 88.4 | Confident | 123 Ų | 123 | 68.3 Ų | 68.3 | 58% | 0.575 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 147 | 173.3 | -160.7 | 178.5 | 8.3 | 0 | 0 | 110.7 | G149 W150 W151 | G149-Q158 CarbonylContact O-C 3.51Å; G149-Q158 WeakPolarHBondContact O-CA 3.23Å; G149-Q158 WeakPolarHBondContact O-CG 3.19Å; W150-Q158 HydrophobicContact CD2-CB 4.48Å; W150-Q158 HydrophobicContact CE3-CB 4.2Å; W150-Q158 HydrophobicContact CH2-CB 4.16Å; W150-Q158 HydrophobicContact CZ2-CB 4.44Å; W150-Q158 HydrophobicContact CZ2-CG 4.38Å; W150-Q158 HydrophobicContact CZ3-CB 4.04Å; W151-Q158 PolarHBondContact NE1-O 2.91Å |
| 159 | C | 90.7 | Very high | 88.2 | Confident | 15 Ų | 15 | 63 Ų | 63 | 10% | 0.101 | 35% | 0.352 | C | S | . | . | trans | -62.6 | 134.4 | 169.8 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | G149 S169 C171 | G149-C159 VanDerWaalsContact CA-SG 3.53Å; G149-C159 PolarHBondContact O-N 3.2Å; G149-C159 PolarHBondContact O-SG 3.05Å; G149-C159 VanDerWaalsContact O-SG 3.41Å; C159-S169 VanDerWaalsContact CB-O 3.28Å; C159-S169 WeakPolarHBondContact CB-O 3.19Å; C159-C171 VanDerWaalsContact CA-SG 3.56Å; C159-C171 HydrophobicContact CB-CB 3.71Å; C159-C171 WeakPolarHBondContact CB-SG 3.05Å; C159-C171 WeakPolarHBondContact SG-CB 3.48Å; C159-C171 PolarHBondContact SG-N 3.43Å; C159-C171 CovalentContact SG-SG 2.03Å; C159-C171 PolarHBondContact SG-SG 2.93Å | ||
| 160 | Q | 91.4 | Very high | 88.2 | Confident | 121 Ų | 121 | 64.3 Ų | 64.3 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | trans | -114.9 | 54.8 | -177.1 | -65.7 | -170.9 | -8.8 | 0 | 0 | 111.2 | K188 | Q160-K188 HydrophobicContact CB-CD 3.99Å; Q160-K188 HydrophobicContact CB-CG 4.41Å; Q160-K188 VanDerWaalsContact O-CB 3.26Å; Q160-K188 WeakPolarHBondContact O-CB 3.06Å; Q160-K188 VanDerWaalsContact O-CG 3.31Å; Q160-K188 WeakPolarHBondContact O-CG 3.11Å | ||
| 161 | C | 90.4 | Very high | 88.1 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | trans | -83.3 | 138.1 | -173.8 | -52.5 | 0 | 0 | 0 | 0 | 112.5 | S163 S166 S169 C178 | C161-S163 PolarHBondContact O-N 3.14Å; C161-S166 WeakPolarHBondContact CB-OG 3.43Å; C161-S169 PolarHBondContact SG-O 2.03Å; C161-S169 VanDerWaalsContact SG-O 3.37Å; C161-C178 WeakPolarHBondContact CA-SG 3.41Å; C161-C178 HydrophobicContact CB-CB 3.73Å; C161-C178 WeakPolarHBondContact CB-SG 3.31Å; C161-C178 WeakPolarHBondContact SG-CB 3.46Å; C161-C178 CovalentContact SG-SG 2.03Å; C161-C178 PolarHBondContact SG-SG 3.48Å | ||
| 162 | S | 90.6 | Very high | 88.1 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | trans | -73.5 | 112.4 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | G164 G165 S166 K188 C189 | S162-G164 PolarHBondContact O-N 2.78Å; S162-G165 PolarHBondContact O-N 3.4Å; S162-S166 PolarHBondContact O-N 3.04Å; S162-S166 PolarHBondContact O-OG 3.43Å; S162-K188 WeakPolarHBondContact CB-O 3.37Å; S162-K188 PolarHBondContact N-O 2.78Å; S162-C189 VanDerWaalsContact CB-O 3.23Å; S162-C189 WeakPolarHBondContact CB-O 3.24Å | ||
| 163 | S | 84.1 | Confident | 87.9 | Confident | 121 Ų | 121 | 63.6 Ų | 63.6 | 85% | 0.846 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -19.2 | -173.1 | -42.1 | 0 | 0 | 0 | 0 | 115.9 | C161 | C161-S163 PolarHBondContact O-N 3.14Š|
| 164 | G | 83.3 | Confident | 87.8 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -21.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S162 | S162-G164 PolarHBondContact O-N 2.78Š|
| 165 | G | 84.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -16.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S162 R181 C189 | S162-G165 PolarHBondContact O-N 3.4Å; G165-R181 PolarHBondContact O-N 2.81Å; G165-C189 WeakPolarHBondContact O-CB 3.37Å |
| 166 | S | 89.8 | Confident | 87.7 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 155.1 | 175.3 | 68.6 | 0 | 0 | 0 | 0 | 112.8 | C161 S162 D168 Q179 R181 | C161-S166 WeakPolarHBondContact CB-OG 3.43Å; S162-S166 PolarHBondContact O-N 3.04Å; S162-S166 PolarHBondContact O-OG 3.43Å; S166-D168 WeakPolarHBondContact CB-O 3.34Å; S166-D168 PolarHBondContact OG-O 3.4Å; S166-Q179 CarbonylContact C-O 3.59Å; S166-Q179 WeakPolarHBondContact CA-O 2.93Å; S166-Q179 VanDerWaalsContact CB-O 3.25Å; S166-Q179 WeakPolarHBondContact CB-O 3.42Å; S166-R181 PolarHBondContact O-NE 3.02Å; S166-R181 PolarHBondContact O-NH2 2.67Å |
| 167 | V | 87.4 | Confident | 87.7 | Confident | 66 Ų | 66 | 59.1 Ų | 59.1 | 40% | 0.4 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | -44.2 | 177.7 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | Q179 R181 | V167-Q179 HydrophobicContact CB-CG 4.48Å; V167-Q179 HydrophobicContact CG2-CG 4.01Å; V167-Q179 PolarHBondContact N-O 2.04Å; V167-R181 HydrophobicContact CG2-CG 4.16Å; V167-R181 PolarHBondContact O-NH2 3.08Å |
| 168 | D | 84.8 | Confident | 87.8 | Confident | 89 Ų | 89 | 54 Ų | 54 | 48% | 0.476 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 171 | 176 | -177.7 | 20.7 | 0 | 0 | 0 | 109.5 | S166 S170 | S166-D168 WeakPolarHBondContact CB-O 3.34Å; S166-D168 PolarHBondContact OG-O 3.4Å; D168-S170 VanDerWaalsContact C-N 3.26Å; D168-S170 VanDerWaalsContact OD2-CB 3.32Å; D168-S170 WeakPolarHBondContact OD2-CB 3.01Å |
| 169 | S | 84.2 | Confident | 87.8 | Confident | 80 Ų | 80 | 54 Ų | 54 | 56% | 0.559 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | -18.6 | 166.6 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | C159 C161 | C159-S169 VanDerWaalsContact CB-O 3.28Å; C159-S169 WeakPolarHBondContact CB-O 3.19Å; C161-S169 PolarHBondContact SG-O 2.03Å; C161-S169 VanDerWaalsContact SG-O 3.37Å |
| 170 | S | 87.1 | Confident | 87.8 | Confident | 40 Ų | 40 | 53.5 Ų | 53.5 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 148.7 | 177.7 | -164.2 | 0 | 0 | 0 | 0 | 112.6 | D168 | D168-S170 VanDerWaalsContact C-N 3.26Å; D168-S170 VanDerWaalsContact OD2-CB 3.32Å; D168-S170 WeakPolarHBondContact OD2-CB 3.01Å |
| 171 | C | 89.4 | Confident | 87.7 | Confident | 13 Ų | 13 | 53.5 Ų | 53.5 | 9% | 0.088 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 167 | 176 | 69.9 | 0 | 0 | 0 | 0 | 110.8 | C159 R177 | C159-C171 VanDerWaalsContact CA-SG 3.56Å; C159-C171 HydrophobicContact CB-CB 3.71Å; C159-C171 WeakPolarHBondContact CB-SG 3.05Å; C159-C171 WeakPolarHBondContact SG-CB 3.48Å; C159-C171 PolarHBondContact SG-N 3.43Å; C159-C171 CovalentContact SG-SG 2.03Å; C159-C171 PolarHBondContact SG-SG 2.93Å; C171-R177 CarbonylContact C-O 3.56Å; C171-R177 VanDerWaalsContact CA-O 3.3Å; C171-R177 WeakPolarHBondContact CA-O 3.41Å; C171-R177 VanDerWaalsContact CB-O 3.31Å; C171-R177 WeakPolarHBondContact CB-O 3.42Å |
| 172 | D | 89.6 | Confident | 87.6 | Confident | 62 Ų | 62 | 63.3 Ų | 63.3 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | trans | -57.8 | 122.1 | 170.9 | 167.9 | 0.6 | 0 | 0 | 0 | 110.1 | L174 T175 G176 R177 | D172-L174 PolarHBondContact O-N 2.94Å; D172-L174 VanDerWaalsContact O-N 3.17Å; D172-L174 PolarHBondContact OD1-N 2.91Å; D172-T175 VanDerWaalsContact CG-OG1 3.23Å; D172-T175 PolarHBondContact OD1-N 3.43Å; D172-T175 VanDerWaalsContact OD2-CB 3.31Å; D172-T175 WeakPolarHBondContact OD2-CB 3.03Å; D172-T175 WeakPolarHBondContact OD2-CG2 3.32Å; D172-T175 PolarHBondContact OD2-N 3.08Å; D172-T175 PolarHBondContact OD2-OG1 3.19Å; D172-G176 VanDerWaalsContact O-CA 3.31Å; D172-G176 WeakPolarHBondContact O-CA 3.09Å; D172-G176 PolarHBondContact O-N 3.2Å; D172-R177 PolarHBondContact N-O 3.42Å | ||
| 173 | P | 85.9 | Confident | 87.4 | Confident | 56 Ų | 56 | 63 Ų | 63 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.6 | -175.6 | 28 | -36.2 | 0 | 0 | 0 | 113.5 | C146 W151 S152 | C146-P173 HydrophobicContact CB-CB 3.88Å; W151-P173 CarbonylContact C-O 3.5Å; W151-P173 WeakPolarHBondContact CA-O 3.43Å; W151-P173 WeakPolarHBondContact CB-O 3.42Å; S152-P173 PolarHBondContact N-O 3.16Å |
| 174 | L | 83.9 | Confident | 87.7 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -51.2 | 177.6 | -58.2 | 179.1 | 0 | 0 | 0 | 111.7 | D172 | D172-L174 PolarHBondContact O-N 2.94Å; D172-L174 VanDerWaalsContact O-N 3.17Å; D172-L174 PolarHBondContact OD1-N 2.91Å |
| 175 | T | 87.8 | Confident | 88.1 | Confident | 69 Ų | 69 | 62.5 Ų | 62.5 | 42% | 0.423 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -15.1 | -173.9 | 70.3 | 0 | 0 | 0 | 0 | 114.8 | D172 R177 M187 | D172-T175 VanDerWaalsContact CG-OG1 3.23Å; D172-T175 PolarHBondContact OD1-N 3.43Å; D172-T175 VanDerWaalsContact OD2-CB 3.31Å; D172-T175 WeakPolarHBondContact OD2-CB 3.03Å; D172-T175 WeakPolarHBondContact OD2-CG2 3.32Å; D172-T175 PolarHBondContact OD2-N 3.08Å; D172-T175 PolarHBondContact OD2-OG1 3.19Å; T175-R177 PolarHBondContact O-N 2.87Å; T175-R177 WeakPolarHBondContact OG1-CB 3.28Å; T175-R177 PolarHBondContact OG1-N 3.32Å; T175-M187 WeakPolarHBondContact O-CE 3.4Å |
| 176 | G | 88.1 | Confident | 88.3 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 8% | 0.082 | 32% | 0.323 | C | S | . | . | trans | 73.4 | 12.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | W151 D172 | W151-G176 VanDerWaalsContact CE3-CA 3.45Å; D172-G176 VanDerWaalsContact O-CA 3.31Å; D172-G176 WeakPolarHBondContact O-CA 3.09Å; D172-G176 PolarHBondContact O-N 3.2Å | ||
| 177 | R | 89.6 | Confident | 88.2 | Confident | 59 Ų | 59 | 67.4 Ų | 67.4 | 22% | 0.223 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 126.5 | -174.4 | -177.2 | 164.6 | 175.2 | -119.3 | -12.3 | 112.2 | C171 D172 T175 M187 E202 R203 | C171-R177 CarbonylContact C-O 3.56Å; C171-R177 VanDerWaalsContact CA-O 3.3Å; C171-R177 WeakPolarHBondContact CA-O 3.41Å; C171-R177 VanDerWaalsContact CB-O 3.31Å; C171-R177 WeakPolarHBondContact CB-O 3.42Å; D172-R177 PolarHBondContact N-O 3.42Å; T175-R177 PolarHBondContact O-N 2.87Å; T175-R177 WeakPolarHBondContact OG1-CB 3.28Å; T175-R177 PolarHBondContact OG1-N 3.32Å; R177-M187 HydrophobicContact CB-CE 3.72Å; R177-M187 HydrophobicContact CB-SD 3.95Å; R177-M187 HydrophobicContact CG-CE 4.41Å; R177-M187 HydrophobicContact CG-SD 3.99Å; R177-E202 VanDerWaalsContact NH2-CB 3.3Å; R177-E202 PolarHBondContact NH2-O 3.3Å; R177-R203 VanDerWaalsContact NH2-N 3.18Å |
| 178 | C | 90.7 | Very high | 88.4 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.02 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 149 | 174.3 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | C161 M187 | C161-C178 WeakPolarHBondContact CA-SG 3.41Å; C161-C178 HydrophobicContact CB-CB 3.73Å; C161-C178 WeakPolarHBondContact CB-SG 3.31Å; C161-C178 WeakPolarHBondContact SG-CB 3.46Å; C161-C178 CovalentContact SG-SG 2.03Å; C161-C178 PolarHBondContact SG-SG 3.48Å; C178-M187 PolarHBondContact N-O 3.23Å; C178-M187 PolarHBondContact SG-O 3.44Å |
| 179 | Q | 91.2 | Very high | 88.7 | Confident | 123 Ų | 123 | 65 Ų | 65 | 58% | 0.575 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 124.6 | 169.2 | -175.5 | 178.1 | 12.6 | 0 | 0 | 109.6 | S166 V167 | S166-Q179 CarbonylContact C-O 3.59Å; S166-Q179 WeakPolarHBondContact CA-O 2.93Å; S166-Q179 VanDerWaalsContact CB-O 3.25Å; S166-Q179 WeakPolarHBondContact CB-O 3.42Å; V167-Q179 HydrophobicContact CB-CG 4.48Å; V167-Q179 HydrophobicContact CG2-CG 4.01Å; V167-Q179 PolarHBondContact N-O 2.04Å |
| 180 | C | 90.4 | Very high | 89 | Confident | 4 Ų | 4 | 71.5 Ų | 71.5 | 3% | 0.027 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 158.6 | -173.5 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | Y184 C189 E202 | C180-Y184 VanDerWaalsContact CB-O 3.26Å; C180-Y184 WeakPolarHBondContact CB-O 3.11Å; C180-C189 WeakPolarHBondContact CA-SG 3.48Å; C180-C189 HydrophobicContact CB-CB 3.77Å; C180-C189 WeakPolarHBondContact CB-SG 3.46Å; C180-C189 PolarHBondContact N-SG 3.02Å; C180-C189 VanDerWaalsContact SG-CA 3.58Å; C180-C189 WeakPolarHBondContact SG-CB 3.29Å; C180-C189 CovalentContact SG-SG 2.04Å; C180-C189 PolarHBondContact SG-SG 3.16Å; C180-E202 HydrophobicContact CB-CB 4.15Å; C180-E202 HydrophobicContact CB-CG 3.94Å; C180-E202 PolarHBondContact N-OE2 2.84Å |
| 181 | R | 88.8 | Confident | 89.1 | Confident | 121 Ų | 121 | 71.4 Ų | 71.4 | 46% | 0.457 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 154.1 | 165.4 | -64.5 | -179.8 | -175.7 | -95 | -8.9 | 108.5 | G165 S166 V167 G183 Y184 | G165-R181 PolarHBondContact O-N 2.81Å; S166-R181 PolarHBondContact O-NE 3.02Å; S166-R181 PolarHBondContact O-NH2 2.67Å; V167-R181 HydrophobicContact CG2-CG 4.16Å; V167-R181 PolarHBondContact O-NH2 3.08Å; R181-G183 PolarHBondContact O-N 2.69Å; R181-Y184 HydrophobicContact CB-CD2 4.27Å; R181-Y184 PolarHBondContact O-N 3.13Å |
| 182 | R | 87.8 | Confident | 89.2 | Confident | 228 Ų | 228 | 75.2 Ų | 75.2 | 86% | 0.86 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 132.3 | 173.3 | -69.4 | -176 | 176.1 | -174.4 | -3.1 | 110 | ||
| 183 | G | 86.6 | Confident | 89.1 | Confident | 32 Ų | 32 | 73.5 Ų | 73.5 | 33% | 0.33 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 3.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R181 T192 C193 | R181-G183 PolarHBondContact O-N 2.69Å; G183-T192 CarbonylContact O-C 3.52Å; G183-T192 VanDerWaalsContact O-CA 3.29Å; G183-T192 WeakPolarHBondContact O-CA 3.26Å; G183-C193 PolarHBondContact O-N 2.83Å |
| 184 | Y | 90.8 | Very high | 89.3 | Confident | 75 Ų | 75 | 77 Ų | 77 | 29% | 0.294 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 148.8 | 173.3 | -68.8 | -93.3 | 0 | 0 | 0 | 112 | C180 R181 A191 T192 | C180-Y184 VanDerWaalsContact CB-O 3.26Å; C180-Y184 WeakPolarHBondContact CB-O 3.11Å; R181-Y184 HydrophobicContact CB-CD2 4.27Å; R181-Y184 PolarHBondContact O-N 3.13Å; Y184-A191 CarbonylContact C-O 3.49Å; Y184-A191 WeakPolarHBondContact CA-O 3.48Å; Y184-T192 HydrophobicContact CD1-CG2 3.94Å; Y184-T192 HydrophobicContact CE1-CG2 3.52Å |
| 185 | W | 91.4 | Very high | 89.5 | Confident | 86 Ų | 86 | 72.7 Ų | 72.7 | 33% | 0.326 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 172 | -177.2 | 71.2 | -82.3 | 0 | 0 | 0 | 114.7 | C189 A191 T192 E202 T204 G205 | W185-C189 WeakPolarHBondContact O-CA 3.47Å; W185-A191 HydrophobicContact CD2-CB 4.06Å; W185-A191 HydrophobicContact CG-CB 4.24Å; W185-A191 HydrophobicContact CZ2-CB 3.99Å; W185-A191 PolarHBondContact N-O 3.03Å; W185-A191 VanDerWaalsContact NE1-CB 3.35Å; W185-T192 PolarHBondContact NE1-O 3.26Å; W185-T192 VanDerWaalsContact NE1-O 3.14Å; W185-E202 WeakPolarHBondContact CA-O 3.21Å; W185-T204 WeakPolarHBondContact CZ3-O 3.23Å; W185-G205 VanDerWaalsContact CG-CA 3.44Å |
| 186 | G | 90.1 | Very high | 89.4 | Confident | 14 Ų | 14 | 73.8 Ų | 73.8 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 169.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K188 C189 E202 | G186-K188 PolarHBondContact O-N 2.04Å; G186-C189 PolarHBondContact O-N 3.08Å; G186-E202 PolarHBondContact N-O 2.86Å |
| 187 | M | 87.1 | Confident | 89 | Confident | 93 Ų | 93 | 82.3 Ų | 82.3 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -28.5 | -168.7 | -66 | -63.1 | -70.6 | 0 | 0 | 115.8 | T175 R177 C178 | T175-M187 WeakPolarHBondContact O-CE 3.4Å; R177-M187 HydrophobicContact CB-CE 3.72Å; R177-M187 HydrophobicContact CB-SD 3.95Å; R177-M187 HydrophobicContact CG-CE 4.41Å; R177-M187 HydrophobicContact CG-SD 3.99Å; C178-M187 PolarHBondContact N-O 3.23Å; C178-M187 PolarHBondContact SG-O 3.44Å |
| 188 | K | 90.4 | Very high | 88.7 | Confident | 103 Ų | 103 | 80.2 Ų | 80.2 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -0.2 | -176.7 | -58.4 | -172 | -169.3 | -175.5 | 0 | 113.9 | Q160 S162 G186 R190 | Q160-K188 HydrophobicContact CB-CD 3.99Å; Q160-K188 HydrophobicContact CB-CG 4.41Å; Q160-K188 VanDerWaalsContact O-CB 3.26Å; Q160-K188 WeakPolarHBondContact O-CB 3.06Å; Q160-K188 VanDerWaalsContact O-CG 3.31Å; Q160-K188 WeakPolarHBondContact O-CG 3.11Å; S162-K188 WeakPolarHBondContact CB-O 3.37Å; S162-K188 PolarHBondContact N-O 2.78Å; G186-K188 PolarHBondContact O-N 2.04Å; K188-R190 VanDerWaalsContact C-N 3.27Å; K188-R190 PolarHBondContact O-N 3.42Å |
| 189 | C | 92.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 39.9 | -173.7 | -46 | 0 | 0 | 0 | 0 | 113.8 | S162 G165 C180 W185 G186 | S162-C189 VanDerWaalsContact CB-O 3.23Å; S162-C189 WeakPolarHBondContact CB-O 3.24Å; G165-C189 WeakPolarHBondContact O-CB 3.37Å; C180-C189 WeakPolarHBondContact CA-SG 3.48Å; C180-C189 HydrophobicContact CB-CB 3.77Å; C180-C189 WeakPolarHBondContact CB-SG 3.46Å; C180-C189 PolarHBondContact N-SG 3.02Å; C180-C189 VanDerWaalsContact SG-CA 3.58Å; C180-C189 WeakPolarHBondContact SG-CB 3.29Å; C180-C189 CovalentContact SG-SG 2.04Å; C180-C189 PolarHBondContact SG-SG 3.16Å; W185-C189 WeakPolarHBondContact O-CA 3.47Å; G186-C189 PolarHBondContact O-N 3.08Å |
| 190 | R | 90.6 | Very high | 88.5 | Confident | 217 Ų | 217 | 77.8 Ų | 77.8 | 82% | 0.819 | 38% | 0.376 | S | S | * | . | trans | -94.9 | -28.6 | 179.7 | -174 | 176.4 | -179.5 | -165.6 | 0.3 | 112.9 | K188 | K188-R190 VanDerWaalsContact C-N 3.27Å; K188-R190 PolarHBondContact O-N 3.42Å | ||
| 191 | A | 89.9 | Confident | 88.5 | Confident | 39 Ų | 39 | 80.2 Ų | 80.2 | 32% | 0.322 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 135 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y184 W185 | Y184-A191 CarbonylContact C-O 3.49Å; Y184-A191 WeakPolarHBondContact CA-O 3.48Å; W185-A191 HydrophobicContact CD2-CB 4.06Å; W185-A191 HydrophobicContact CG-CB 4.24Å; W185-A191 HydrophobicContact CZ2-CB 3.99Å; W185-A191 PolarHBondContact N-O 3.03Å; W185-A191 VanDerWaalsContact NE1-CB 3.35Å |
| 192 | T | 89.9 | Confident | 88.4 | Confident | 93 Ų | 93 | 77.7 Ų | 77.7 | 57% | 0.571 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 153.4 | 168.8 | 44.6 | 0 | 0 | 0 | 0 | 110.5 | G183 Y184 W185 | G183-T192 CarbonylContact O-C 3.52Å; G183-T192 VanDerWaalsContact O-CA 3.29Å; G183-T192 WeakPolarHBondContact O-CA 3.26Å; Y184-T192 HydrophobicContact CD1-CG2 3.94Å; Y184-T192 HydrophobicContact CE1-CG2 3.52Å; W185-T192 PolarHBondContact NE1-O 3.26Å; W185-T192 VanDerWaalsContact NE1-O 3.14Å |
| 193 | C | 88.8 | Confident | 88.3 | Confident | 26 Ų | 26 | 74.9 Ų | 74.9 | 18% | 0.176 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 144 | 171.9 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | G183 C200 | G183-C193 PolarHBondContact O-N 2.83Å; C193-C200 HydrophobicContact CB-CB 3.43Å; C193-C200 VanDerWaalsContact CB-CB 3.43Å; C193-C200 WeakPolarHBondContact CB-SG 3.45Å; C193-C200 WeakPolarHBondContact SG-CB 3.45Å; C193-C200 CovalentContact SG-SG 2.02Å; C193-C200 PolarHBondContact SG-SG 3.4Å |
| 194 | N | 88.4 | Confident | 88.3 | Confident | 128 Ų | 128 | 76.8 Ų | 76.8 | 68% | 0.684 | 38% | 0.377 | S | S | * | . | trans | -118.7 | 72.5 | 177.6 | -173.1 | 41.9 | 0 | 0 | 0 | 110 | S217 | N194-S217 WeakPolarHBondContact O-CA 3.49Å; N194-S217 VanDerWaalsContact O-CB 3.29Å; N194-S217 WeakPolarHBondContact O-CB 3.49Å | ||
| 195 | C | 88.3 | Confident | 88.1 | Confident | 6 Ų | 6 | 74 Ų | 74 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -118.5 | 24.9 | -166.3 | -57.6 | 0 | 0 | 0 | 0 | 113.6 | Q197 S198 C207 S217 | C195-Q197 PolarHBondContact O-N 3.1Å; C195-S198 WeakPolarHBondContact CB-O 3.49Å; C195-S198 WeakPolarHBondContact O-CA 3.36Å; C195-S198 WeakPolarHBondContact O-CB 3.27Å; C195-S198 PolarHBondContact O-N 3.31Å; C195-C207 WeakPolarHBondContact CA-SG 3.31Å; C195-C207 HydrophobicContact CB-CB 3.58Å; C195-C207 WeakPolarHBondContact CB-SG 3.34Å; C195-C207 WeakPolarHBondContact SG-CA 3.3Å; C195-C207 WeakPolarHBondContact SG-CB 3.31Å; C195-C207 CovalentContact SG-SG 2.03Å; C195-C207 PolarHBondContact SG-SG 3.41Å; C195-S217 CarbonylContact C-O 3.06Å; C195-S217 VanDerWaalsContact CA-O 3.29Å; C195-S217 WeakPolarHBondContact CA-O 3.24Å |
| 196 | N | 85.5 | Confident | 88 | Confident | 91 Ų | 91 | 74.4 Ų | 74.4 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 59.3 | 177.8 | -169.8 | 29.3 | 0 | 0 | 0 | 113.2 | S198 S217 C218 | N196-S198 PolarHBondContact O-N 3.02Å; N196-S217 WeakPolarHBondContact CB-O 3.25Å; N196-S217 PolarHBondContact N-O 2.03Å; N196-C218 WeakPolarHBondContact CB-O 3.02Å; N196-C218 PolarHBondContact ND2-O 2.85Å |
| 197 | Q | 81.4 | Confident | 88 | Confident | 188 Ų | 188 | 74.7 Ų | 74.7 | 88% | 0.879 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | -22.4 | -174.4 | -53.5 | 172.5 | 81.8 | 0 | 0 | 116.4 | C195 | C195-Q197 PolarHBondContact O-N 3.1Š|
| 198 | S | 82.7 | Confident | 88.1 | Confident | 14 Ų | 14 | 74.5 Ų | 74.5 | 10% | 0.098 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -62.8 | 159.9 | 174.8 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | C195 N196 E210 | C195-S198 WeakPolarHBondContact CB-O 3.49Å; C195-S198 WeakPolarHBondContact O-CA 3.36Å; C195-S198 WeakPolarHBondContact O-CB 3.27Å; C195-S198 PolarHBondContact O-N 3.31Å; N196-S198 PolarHBondContact O-N 3.02Å; S198-E210 PolarHBondContact OG-N 2.82Å |
| 199 | T | 88.6 | Confident | 88 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 37% | 0.374 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 165.9 | 174.2 | 32.7 | 0 | 0 | 0 | 0 | 113.2 | E208 | T199-E208 PolarHBondContact O-N 2.69Å; T199-E208 PolarHBondContact OG1-O 2.85Å |
| 200 | C | 89.7 | Confident | 87.8 | Confident | 14 Ų | 14 | 76.7 Ų | 76.7 | 10% | 0.095 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 151.4 | 177.5 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | C193 E202 V206 | C193-C200 HydrophobicContact CB-CB 3.43Å; C193-C200 VanDerWaalsContact CB-CB 3.43Å; C193-C200 WeakPolarHBondContact CB-SG 3.45Å; C193-C200 WeakPolarHBondContact SG-CB 3.45Å; C193-C200 CovalentContact SG-SG 2.02Å; C193-C200 PolarHBondContact SG-SG 3.4Å; C200-E202 PolarHBondContact O-N 3.34Å; C200-V206 WeakPolarHBondContact CA-O 3.27Å |
| 201 | N | 89.1 | Confident | 87.5 | Confident | 55 Ų | 55 | 71 Ų | 71 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | trans | -73.3 | 114.4 | 178.1 | -161.9 | -83.6 | 0 | 0 | 0 | 111.1 | R203 T204 G205 V206 E208 | N201-R203 PolarHBondContact O-N 3.47Å; N201-R203 WeakPolarHBondContact OD1-CB 3.16Å; N201-R203 PolarHBondContact OD1-N 2.92Å; N201-R203 VanDerWaalsContact OD1-N 3.16Å; N201-T204 WeakPolarHBondContact CB-OG1 3.05Å; N201-T204 PolarHBondContact O-N 3.29Å; N201-G205 PolarHBondContact O-N 2.04Å; N201-V206 PolarHBondContact N-O 2.8Å; N201-E208 VanDerWaalsContact CB-OE1 3.29Å; N201-E208 WeakPolarHBondContact CB-OE1 3Å; N201-E208 PolarHBondContact ND2-OE1 3.42Å | ||
| 202 | E | 87.1 | Confident | 87.3 | Confident | 68 Ų | 68 | 69.5 Ų | 69.5 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -16.9 | -178.9 | -63.2 | -176.5 | -151.1 | 0 | 0 | 114.3 | R177 C180 W185 G186 C200 | R177-E202 VanDerWaalsContact NH2-CB 3.3Å; R177-E202 PolarHBondContact NH2-O 3.3Å; C180-E202 HydrophobicContact CB-CB 4.15Å; C180-E202 HydrophobicContact CB-CG 3.94Å; C180-E202 PolarHBondContact N-OE2 2.84Å; W185-E202 WeakPolarHBondContact CA-O 3.21Å; G186-E202 PolarHBondContact N-O 2.86Å; C200-E202 PolarHBondContact O-N 3.34Å |
| 203 | R | 85.4 | Confident | 87.3 | Confident | 170 Ų | 170 | 65.8 Ų | 65.8 | 64% | 0.642 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -49.7 | -179.8 | -175 | -177.7 | 169.2 | 101 | 0.6 | 112 | R177 N201 | R177-R203 VanDerWaalsContact NH2-N 3.18Å; N201-R203 PolarHBondContact O-N 3.47Å; N201-R203 WeakPolarHBondContact OD1-CB 3.16Å; N201-R203 PolarHBondContact OD1-N 2.92Å; N201-R203 VanDerWaalsContact OD1-N 3.16Å |
| 204 | T | 87.2 | Confident | 87.4 | Confident | 72 Ų | 72 | 67.5 Ų | 67.5 | 44% | 0.442 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -15.2 | -168.3 | 56.8 | 0 | 0 | 0 | 0 | 114 | W185 N201 V206 | W185-T204 WeakPolarHBondContact CZ3-O 3.23Å; N201-T204 WeakPolarHBondContact CB-OG1 3.05Å; N201-T204 PolarHBondContact O-N 3.29Å; T204-V206 PolarHBondContact O-N 2.87Å; T204-V206 PolarHBondContact OG1-N 2.94Å |
| 205 | G | 86.7 | Confident | 87.5 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 18% | 0.175 | 33% | 0.333 | C | S | . | . | trans | 74.6 | -0.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | W185 N201 | W185-G205 VanDerWaalsContact CG-CA 3.44Å; N201-G205 PolarHBondContact O-N 2.04Å | ||
| 206 | V | 89.3 | Confident | 87.4 | Confident | 94 Ų | 94 | 66.7 Ų | 66.7 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | trans | -64.9 | 135.1 | 175.6 | 177.5 | 0 | 0 | 0 | 0 | 109.3 | C200 N201 T204 | C200-V206 WeakPolarHBondContact CA-O 3.27Å; N201-V206 PolarHBondContact N-O 2.8Å; T204-V206 PolarHBondContact O-N 2.87Å; T204-V206 PolarHBondContact OG1-N 2.94Å | ||
| 207 | C | 89.4 | Confident | 87.6 | Confident | 19 Ų | 19 | 64 Ų | 64 | 13% | 0.128 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 140.7 | 179.5 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | C195 P216 C218 | C195-C207 WeakPolarHBondContact CA-SG 3.31Å; C195-C207 HydrophobicContact CB-CB 3.58Å; C195-C207 WeakPolarHBondContact CB-SG 3.34Å; C195-C207 WeakPolarHBondContact SG-CA 3.3Å; C195-C207 WeakPolarHBondContact SG-CB 3.31Å; C195-C207 CovalentContact SG-SG 2.03Å; C195-C207 PolarHBondContact SG-SG 3.41Å; C207-P216 PolarHBondContact SG-O 3.31Å; C207-C218 WeakPolarHBondContact CB-SG 3.43Å |
| 208 | E | 89.8 | Confident | 88 | Confident | 89 Ų | 89 | 55.1 Ų | 55.1 | 42% | 0.416 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 87.9 | 178.7 | -68.4 | 172.1 | -176.9 | 0 | 0 | 106.4 | T199 N201 | T199-E208 PolarHBondContact O-N 2.69Å; T199-E208 PolarHBondContact OG1-O 2.85Å; N201-E208 VanDerWaalsContact CB-OE1 3.29Å; N201-E208 WeakPolarHBondContact CB-OE1 3Å; N201-E208 PolarHBondContact ND2-OE1 3.42Å |
| 209 | C | 88.9 | Confident | 88.4 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 141.7 | -165.3 | -59.4 | 0 | 0 | 0 | 0 | 114.2 | S213 C218 P233 | C209-S213 WeakPolarHBondContact CB-O 3.38Å; C209-S213 WeakPolarHBondContact CB-OG 3.13Å; C209-C218 WeakPolarHBondContact CA-SG 3.36Å; C209-C218 HydrophobicContact CB-CB 3.77Å; C209-C218 WeakPolarHBondContact CB-SG 3.25Å; C209-C218 VanDerWaalsContact SG-CA 3.53Å; C209-C218 WeakPolarHBondContact SG-CB 3.05Å; C209-C218 CovalentContact SG-SG 2.04Å; C209-C218 PolarHBondContact SG-SG 3.38Å; C209-P233 HydrophobicContact CB-CB 4Å |
| 210 | E | 87.3 | Confident | 88.4 | Confident | 122 Ų | 122 | 59.4 Ų | 59.4 | 57% | 0.57 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 155.3 | 174.2 | -66.8 | -171.9 | 168.4 | 0 | 0 | 112.1 | S198 G212 S213 | S198-E210 PolarHBondContact OG-N 2.82Å; E210-G212 PolarHBondContact O-N 2.78Å; E210-S213 PolarHBondContact N-OG 2.84Å; E210-S213 PolarHBondContact O-N 2.82Å; E210-S213 PolarHBondContact O-OG 3.23Å |
| 211 | A | 84 | Confident | 88.4 | Confident | 98 Ų | 98 | 65 Ų | 65 | 81% | 0.81 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 121 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 212 | G | 85.4 | Confident | 88.4 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 7% | 0.072 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | 6.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | E210 N221 C222 | E210-G212 PolarHBondContact O-N 2.78Å; G212-N221 CarbonylContact O-C 3.42Å; G212-N221 VanDerWaalsContact O-CA 3.31Å; G212-N221 WeakPolarHBondContact O-CA 3.03Å; G212-C222 PolarHBondContact O-N 3.34Å; G212-C222 PolarHBondContact O-SG 2.91Å |
| 213 | S | 90.4 | Very high | 88.6 | Confident | 15 Ų | 15 | 69.4 Ų | 69.4 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 150.6 | 167.3 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | C209 E210 K220 | C209-S213 WeakPolarHBondContact CB-O 3.38Å; C209-S213 WeakPolarHBondContact CB-OG 3.13Å; E210-S213 PolarHBondContact N-OG 2.84Å; E210-S213 PolarHBondContact O-N 2.82Å; E210-S213 PolarHBondContact O-OG 3.23Å; S213-K220 CarbonylContact C-O 3.56Å; S213-K220 VanDerWaalsContact CA-O 3.25Å; S213-K220 WeakPolarHBondContact CA-O 3.29Å |
| 214 | W | 91.2 | Very high | 88.8 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 24% | 0.239 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 172.2 | -176 | 72 | -78.9 | 0 | 0 | 0 | 112.5 | K220 N221 P233 S235 | W214-K220 HydrophobicContact CD2-CB 4.02Å; W214-K220 HydrophobicContact CD2-CD 4.18Å; W214-K220 HydrophobicContact CE3-CD 4.28Å; W214-K220 HydrophobicContact CG-CB 4.15Å; W214-K220 HydrophobicContact CH2-CD 3.73Å; W214-K220 HydrophobicContact CZ2-CB 4.08Å; W214-K220 HydrophobicContact CZ2-CD 3.57Å; W214-K220 HydrophobicContact CZ2-CG 4.45Å; W214-K220 HydrophobicContact CZ3-CD 4.08Å; W214-K220 PolarHBondContact N-O 2.94Å; W214-K220 VanDerWaalsContact NE1-CB 3.34Å; W214-K220 PolarHBondContact O-N 3.03Å; W214-N221 PolarHBondContact NE1-O 3.02Å; W214-N221 VanDerWaalsContact NE1-O 3.11Å; W214-P233 WeakPolarHBondContact CA-O 3.49Å; W214-P233 WeakPolarHBondContact CB-O 3.4Å; W214-S235 WeakPolarHBondContact CZ3-O 3.34Å |
| 215 | G | 89.3 | Confident | 88.9 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 6% | 0.062 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 94.1 | 167 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S217 C218 P233 | G215-S217 PolarHBondContact O-N 3.5Å; G215-C218 PolarHBondContact O-N 2.8Å; G215-C218 VanDerWaalsContact O-N 3.08Å; G215-P233 PolarHBondContact N-O 3.08Å |
| 216 | P | 87.6 | Confident | 88.8 | Confident | 110 Ų | 110 | 64.9 Ų | 64.9 | 71% | 0.714 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -15.3 | -170.6 | 28 | -36.2 | 0 | 0 | 0 | 114.2 | C207 | C207-P216 PolarHBondContact SG-O 3.31Š|
| 217 | S | 88.3 | Confident | 88.8 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 8.5 | 177.6 | -45 | 0 | 0 | 0 | 0 | 112.9 | N194 C195 N196 G215 D219 | N194-S217 WeakPolarHBondContact O-CA 3.49Å; N194-S217 VanDerWaalsContact O-CB 3.29Å; N194-S217 WeakPolarHBondContact O-CB 3.49Å; C195-S217 CarbonylContact C-O 3.06Å; C195-S217 VanDerWaalsContact CA-O 3.29Å; C195-S217 WeakPolarHBondContact CA-O 3.24Å; N196-S217 WeakPolarHBondContact CB-O 3.25Å; N196-S217 PolarHBondContact N-O 2.03Å; G215-S217 PolarHBondContact O-N 3.5Å; S217-D219 PolarHBondContact N-OD1 3.17Å; S217-D219 PolarHBondContact O-N 2.57Å |
| 218 | C | 90.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.007 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 51.5 | 33.5 | -170 | -43.8 | 0 | 0 | 0 | 0 | 113.1 | N196 C207 C209 G215 | N196-C218 WeakPolarHBondContact CB-O 3.02Å; N196-C218 PolarHBondContact ND2-O 2.85Å; C207-C218 WeakPolarHBondContact CB-SG 3.43Å; C209-C218 WeakPolarHBondContact CA-SG 3.36Å; C209-C218 HydrophobicContact CB-CB 3.77Å; C209-C218 WeakPolarHBondContact CB-SG 3.25Å; C209-C218 VanDerWaalsContact SG-CA 3.53Å; C209-C218 WeakPolarHBondContact SG-CB 3.05Å; C209-C218 CovalentContact SG-SG 2.04Å; C209-C218 PolarHBondContact SG-SG 3.38Å; G215-C218 PolarHBondContact O-N 2.8Å; G215-C218 VanDerWaalsContact O-N 3.08Å |
| 219 | D | 90 | Very high | 88.8 | Confident | 79 Ų | 79 | 61.6 Ų | 61.6 | 42% | 0.422 | 34% | 0.342 | S | S | . | . | trans | -83.8 | -8.7 | -174.1 | 55.4 | -65.1 | 0 | 0 | 0 | 113.7 | S217 | S217-D219 PolarHBondContact N-OD1 3.17Å; S217-D219 PolarHBondContact O-N 2.57Å | ||
| 220 | K | 89.3 | Confident | 88.9 | Confident | 85 Ų | 85 | 63.1 Ų | 63.1 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 137.4 | -172.1 | -54.5 | 174.1 | -169.2 | 172.3 | 0 | 110.6 | S213 W214 | S213-K220 CarbonylContact C-O 3.56Å; S213-K220 VanDerWaalsContact CA-O 3.25Å; S213-K220 WeakPolarHBondContact CA-O 3.29Å; W214-K220 HydrophobicContact CD2-CB 4.02Å; W214-K220 HydrophobicContact CD2-CD 4.18Å; W214-K220 HydrophobicContact CE3-CD 4.28Å; W214-K220 HydrophobicContact CG-CB 4.15Å; W214-K220 HydrophobicContact CH2-CD 3.73Å; W214-K220 HydrophobicContact CZ2-CB 4.08Å; W214-K220 HydrophobicContact CZ2-CD 3.57Å; W214-K220 HydrophobicContact CZ2-CG 4.45Å; W214-K220 HydrophobicContact CZ3-CD 4.08Å; W214-K220 PolarHBondContact N-O 2.94Å; W214-K220 VanDerWaalsContact NE1-CB 3.34Å; W214-K220 PolarHBondContact O-N 3.03Å |
| 221 | N | 90 | Very high | 89.1 | Confident | 131 Ų | 131 | 58.3 Ų | 58.3 | 70% | 0.701 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 150.2 | 171.8 | -65.6 | 85.5 | 0 | 0 | 0 | 111.6 | G212 W214 | G212-N221 CarbonylContact O-C 3.42Å; G212-N221 VanDerWaalsContact O-CA 3.31Å; G212-N221 WeakPolarHBondContact O-CA 3.03Å; W214-N221 PolarHBondContact NE1-O 3.02Å; W214-N221 VanDerWaalsContact NE1-O 3.11Å |
| 222 | C | 90.1 | Very high | 89.4 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 13% | 0.128 | 31% | 0.306 | C | S | . | . | trans | -88.9 | 146 | 176.9 | -43.7 | 0 | 0 | 0 | 0 | 111 | G212 C224 C231 | G212-C222 PolarHBondContact O-N 3.34Å; G212-C222 PolarHBondContact O-SG 2.91Å; C222-C224 HydrophobicContact CB-CB 4.44Å; C222-C224 WeakPolarHBondContact CB-SG 3.15Å; C222-C224 PolarHBondContact O-N 2.81Å; C222-C231 HydrophobicContact CB-CB 3.67Å; C222-C231 WeakPolarHBondContact CB-SG 3.33Å; C222-C231 WeakPolarHBondContact SG-CB 3.02Å; C222-C231 CovalentContact SG-SG 2.02Å; C222-C231 PolarHBondContact SG-SG 3.09Å | ||
| 223 | K | 89.8 | Confident | 89.4 | Confident | 198 Ų | 198 | 58.5 Ų | 58.5 | 86% | 0.861 | 32% | 0.322 | S | S | * | . | trans | -92.4 | 49.2 | 178.7 | -64.5 | -173.4 | 178 | -176.7 | 0 | 111.8 | S248 | K223-S248 WeakPolarHBondContact O-CB 3.4Š| ||
| 224 | C | 89.6 | Confident | 89.2 | Confident | 20 Ų | 20 | 61.6 Ų | 61.6 | 14% | 0.135 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -115 | 146.8 | -171.1 | -46.7 | 0 | 0 | 0 | 0 | 111.4 | C222 L226 S229 C238 | C222-C224 HydrophobicContact CB-CB 4.44Å; C222-C224 WeakPolarHBondContact CB-SG 3.15Å; C222-C224 PolarHBondContact O-N 2.81Å; C224-L226 HydrophobicContact CB-CD2 4.16Å; C224-L226 PolarHBondContact O-N 3.18Å; C224-S229 WeakPolarHBondContact CB-OG 3.45Å; C224-C238 WeakPolarHBondContact CA-SG 3.36Å; C224-C238 HydrophobicContact CB-CB 3.75Å; C224-C238 WeakPolarHBondContact CB-SG 3.26Å; C224-C238 WeakPolarHBondContact SG-CA 3.48Å; C224-C238 WeakPolarHBondContact SG-CB 3.33Å; C224-C238 CovalentContact SG-SG 2.03Å; C224-C238 PolarHBondContact SG-SG 2.03Å |
| 225 | D | 89.6 | Confident | 89.1 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 31% | 0.305 | 35% | 0.353 | S | S | . | . | trans | -76.6 | 102 | 161.7 | -172.8 | -22 | 0 | 0 | 0 | 109.2 | S227 H228 S229 S248 | D225-S227 PolarHBondContact O-N 3.14Å; D225-S227 WeakPolarHBondContact OD1-CB 3.2Å; D225-S227 PolarHBondContact OD1-N 3.33Å; D225-S227 PolarHBondContact OD1-OG 3.23Å; D225-H228 CarbonylContact O-C 3.54Å; D225-H228 PolarHBondContact O-N 2.04Å; D225-H228 VanDerWaalsContact O-N 3.11Å; D225-H228 IonicContact OD2-CD2 3.3Å; D225-S229 PolarHBondContact O-N 3.36Å; D225-S229 PolarHBondContact O-OG 3.38Å; D225-S248 PolarHBondContact N-O 3.36Å | ||
| 226 | L | 85.9 | Confident | 89.1 | Confident | 86 Ų | 86 | 61.3 Ų | 61.3 | 45% | 0.45 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -8.6 | -175.7 | -57.9 | 175.4 | 0 | 0 | 0 | 113.6 | C224 H228 | C224-L226 HydrophobicContact CB-CD2 4.16Å; C224-L226 PolarHBondContact O-N 3.18Å; L226-H228 VanDerWaalsContact C-N 3.34Å |
| 227 | S | 88.8 | Confident | 89.2 | Confident | 72 Ų | 72 | 62.4 Ų | 62.4 | 50% | 0.503 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -26.5 | 170.3 | 73.6 | 0 | 0 | 0 | 0 | 112 | D225 | D225-S227 PolarHBondContact O-N 3.14Å; D225-S227 WeakPolarHBondContact OD1-CB 3.2Å; D225-S227 PolarHBondContact OD1-N 3.33Å; D225-S227 PolarHBondContact OD1-OG 3.23Å |
| 228 | H | 88 | Confident | 89.3 | Confident | 58 Ų | 58 | 61.9 Ų | 61.9 | 27% | 0.269 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -126.8 | 12.4 | -171.9 | -61.1 | -28.3 | 0 | 0 | 0 | 113 | D225 L226 H241 Y244 | D225-H228 CarbonylContact O-C 3.54Å; D225-H228 PolarHBondContact O-N 2.04Å; D225-H228 VanDerWaalsContact O-N 3.11Å; D225-H228 IonicContact OD2-CD2 3.3Å; L226-H228 VanDerWaalsContact C-N 3.34Å; H228-H241 WeakPolarHBondContact O-CB 2.99Å; H228-H241 PolarHBondContact O-N 3.28Å; H228-Y244 HydrophobicContact CB-CD1 3.76Å; H228-Y244 HydrophobicContact CB-CD2 4.14Å; H228-Y244 HydrophobicContact CB-CE1 3.86Å; H228-Y244 HydrophobicContact CB-CE2 4.26Å; H228-Y244 HydrophobicContact CB-CG 3.89Å; H228-Y244 AromaticContact CD2-CD1 3.86Å; H228-Y244 AromaticContact CD2-CE1 3.13Å; H228-Y244 WeakPolarHBondContact CD2-CE1 3.3Å; H228-Y244 AromaticContact CD2-CZ 3.45Å; H228-Y244 VanDerWaalsContact CD2-CZ 3.45Å; H228-Y244 AromaticContact CE1-CZ 3.67Å; H228-Y244 PolarHBondContact CE1-OH 2.98Å; H228-Y244 AromaticContact CG-CD1 3.89Å; H228-Y244 AromaticContact CG-CE1 3.43Å; H228-Y244 VanDerWaalsContact CG-CE1 3.43Å; H228-Y244 AromaticContact CG-CE2 3.96Å; H228-Y244 AromaticContact CG-CZ 3.46Å; H228-Y244 VanDerWaalsContact CG-CZ 3.46Å; H228-Y244 AromaticContact ND1-CE2 3.98Å; H228-Y244 AromaticContact ND1-CZ 3.61Å; H228-Y244 AromaticContact NE2-CE1 3.62Å; H228-Y244 AromaticContact NE2-CZ 3.54Å; H228-Y244 PolarHBondContact NE2-OH 2.03Å |
| 229 | S | 91.3 | Very high | 89.3 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 3% | 0.028 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 159.6 | 173.9 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | C224 D225 L239 C249 | C224-S229 WeakPolarHBondContact CB-OG 3.45Å; D225-S229 PolarHBondContact O-N 3.36Å; D225-S229 PolarHBondContact O-OG 3.38Å; S229-L239 WeakPolarHBondContact CA-O 3.31Å; S229-L239 WeakPolarHBondContact CB-O 3.42Å; S229-C249 VanDerWaalsContact CB-SG 3.54Å |
| 230 | S | 91 | Very high | 89.5 | Confident | 58 Ų | 58 | 63 Ų | 63 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 147.4 | 162.6 | 53.4 | 0 | 0 | 0 | 0 | 109.3 | L239 | S230-L239 PolarHBondContact N-O 3.49Å; S230-L239 WeakPolarHBondContact O-CA 3.26Å; S230-L239 WeakPolarHBondContact O-CB 3.03Å; S230-L239 PolarHBondContact O-N 3Å |
| 231 | C | 91.1 | Very high | 89.6 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 14% | 0.142 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 135.7 | 172.9 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | C222 P233 | C222-C231 HydrophobicContact CB-CB 3.67Å; C222-C231 WeakPolarHBondContact CB-SG 3.33Å; C222-C231 WeakPolarHBondContact SG-CB 3.02Å; C222-C231 CovalentContact SG-SG 2.02Å; C222-C231 PolarHBondContact SG-SG 3.09Å; C231-P233 WeakPolarHBondContact O-CD 3.44Å |
| 232 | D | 89.9 | Confident | 89.8 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 116.6 | 167.3 | 168.6 | 27.3 | 0 | 0 | 0 | 110.1 | A234 S235 G236 Q237 L239 | D232-A234 PolarHBondContact O-N 2.91Å; D232-A234 WeakPolarHBondContact OD1-CB 3.48Å; D232-A234 PolarHBondContact OD1-N 3.02Å; D232-S235 WeakPolarHBondContact OD2-CB 3.41Å; D232-S235 PolarHBondContact OD2-N 3.35Å; D232-S235 PolarHBondContact OD2-OG 2.85Å; D232-G236 WeakPolarHBondContact O-CA 3.07Å; D232-G236 PolarHBondContact O-N 2.95Å; D232-Q237 PolarHBondContact N-O 3.23Å; D232-L239 HydrophobicContact CB-CD1 4.43Å |
| 233 | P | 86.2 | Confident | 89.9 | Confident | 64 Ų | 64 | 58.6 Ų | 58.6 | 42% | 0.416 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17.6 | -179.5 | 29.2 | -36.8 | 0 | 0 | 0 | 113.4 | C209 W214 G215 C231 | C209-P233 HydrophobicContact CB-CB 4Å; W214-P233 WeakPolarHBondContact CA-O 3.49Å; W214-P233 WeakPolarHBondContact CB-O 3.4Å; G215-P233 PolarHBondContact N-O 3.08Å; C231-P233 WeakPolarHBondContact O-CD 3.44Å |
| 234 | A | 86.5 | Confident | 90 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 65% | 0.653 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -51.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D232 | D232-A234 PolarHBondContact O-N 2.91Å; D232-A234 WeakPolarHBondContact OD1-CB 3.48Å; D232-A234 PolarHBondContact OD1-N 3.02Å |
| 235 | S | 88.8 | Confident | 90.1 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -14.6 | -174 | 71.4 | 0 | 0 | 0 | 0 | 115.7 | W214 D232 Q237 | W214-S235 WeakPolarHBondContact CZ3-O 3.34Å; D232-S235 WeakPolarHBondContact OD2-CB 3.41Å; D232-S235 PolarHBondContact OD2-N 3.35Å; D232-S235 PolarHBondContact OD2-OG 2.85Å; S235-Q237 VanDerWaalsContact C-N 3.25Å; S235-Q237 PolarHBondContact O-N 3.28Å; S235-Q237 WeakPolarHBondContact OG-CB 3.44Å; S235-Q237 WeakPolarHBondContact OG-CG 3.39Å; S235-Q237 PolarHBondContact OG-N 3.36Å |
| 236 | G | 88.4 | Confident | 90.1 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 14% | 0.144 | 31% | 0.31 | C | S | . | . | trans | 75.1 | 8.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D232 | D232-G236 WeakPolarHBondContact O-CA 3.07Å; D232-G236 PolarHBondContact O-N 2.95Å | ||
| 237 | Q | 89.6 | Confident | 90.2 | Very high | 133 Ų | 133 | 52.4 Ų | 52.4 | 62% | 0.621 | 33% | 0.328 | S | S | * | . | trans | -75.7 | 143.4 | 178.3 | -68.7 | -176.8 | 15.1 | 0 | 0 | 112.1 | D232 S235 | D232-Q237 PolarHBondContact N-O 3.23Å; S235-Q237 VanDerWaalsContact C-N 3.25Å; S235-Q237 PolarHBondContact O-N 3.28Å; S235-Q237 WeakPolarHBondContact OG-CB 3.44Å; S235-Q237 WeakPolarHBondContact OG-CG 3.39Å; S235-Q237 PolarHBondContact OG-N 3.36Å | ||
| 238 | C | 90.9 | Very high | 90.2 | Very high | 26 Ų | 26 | 51 Ų | 51 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 113.4 | 178.1 | -48.9 | 0 | 0 | 0 | 0 | 110.6 | C224 C240 A247 | C224-C238 WeakPolarHBondContact CA-SG 3.36Å; C224-C238 HydrophobicContact CB-CB 3.75Å; C224-C238 WeakPolarHBondContact CB-SG 3.26Å; C224-C238 WeakPolarHBondContact SG-CA 3.48Å; C224-C238 WeakPolarHBondContact SG-CB 3.33Å; C224-C238 CovalentContact SG-SG 2.03Å; C224-C238 PolarHBondContact SG-SG 2.03Å; C238-C240 PolarHBondContact O-N 3.02Å; C238-A247 WeakPolarHBondContact CB-O 3.25Å; C238-A247 PolarHBondContact SG-O 2.98Å |
| 239 | L | 91.6 | Very high | 90.4 | Very high | 95 Ų | 95 | 48.3 Ų | 48.3 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 95.6 | 174.3 | -58.4 | 177.9 | 0 | 0 | 0 | 108.7 | S229 S230 D232 | S229-L239 WeakPolarHBondContact CA-O 3.31Å; S229-L239 WeakPolarHBondContact CB-O 3.42Å; S230-L239 PolarHBondContact N-O 3.49Å; S230-L239 WeakPolarHBondContact O-CA 3.26Å; S230-L239 WeakPolarHBondContact O-CB 3.03Å; S230-L239 PolarHBondContact O-N 3Å; D232-L239 HydrophobicContact CB-CD1 4.43Å |
| 240 | C | 92.4 | Very high | 90.4 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 137.5 | -175.9 | -48.2 | 0 | 0 | 0 | 0 | 112.2 | C238 Y244 C249 S260 | C238-C240 PolarHBondContact O-N 3.02Å; C240-Y244 VanDerWaalsContact CB-O 3.26Å; C240-Y244 WeakPolarHBondContact CB-O 3.33Å; C240-C249 WeakPolarHBondContact CA-SG 3Å; C240-C249 HydrophobicContact CB-CB 3.61Å; C240-C249 WeakPolarHBondContact CB-SG 3.01Å; C240-C249 PolarHBondContact N-SG 2.8Å; C240-C249 VanDerWaalsContact SG-CA 3.54Å; C240-C249 WeakPolarHBondContact SG-CB 3.49Å; C240-C249 CovalentContact SG-SG 2.04Å; C240-C249 PolarHBondContact SG-SG 3.36Å; C240-S260 VanDerWaalsContact O-CB 3.23Å; C240-S260 WeakPolarHBondContact O-CB 3.42Å |
| 241 | H | 92.9 | Very high | 90.4 | Very high | 79 Ų | 79 | 54.5 Ų | 54.5 | 37% | 0.366 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 155.4 | 167.8 | -63.5 | 161.2 | 0 | 0 | 0 | 110.2 | H228 G243 Y244 | H228-H241 WeakPolarHBondContact O-CB 2.99Å; H228-H241 PolarHBondContact O-N 3.28Å; H241-G243 PolarHBondContact O-N 3.5Å; H241-Y244 PolarHBondContact O-N 3.34Å; H241-Y244 VanDerWaalsContact O-N 3.15Å |
| 242 | P | 93.4 | Very high | 90.4 | Very high | 61 Ų | 61 | 57.7 Ų | 57.7 | 40% | 0.396 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 137 | 179.1 | -19 | 31.8 | 0 | 0 | 0 | 110.8 | T278 | P242-T278 HydrophobicContact CB-CG2 3.83Å; P242-T278 VanDerWaalsContact CB-O 3.26Å; P242-T278 WeakPolarHBondContact CB-O 3.28Å |
| 243 | G | 91.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | -6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | H241 T252 C253 G259 S277 | H241-G243 PolarHBondContact O-N 3.5Å; G243-T252 CarbonylContact O-C 3.43Å; G243-T252 VanDerWaalsContact O-CA 3.3Å; G243-T252 WeakPolarHBondContact O-CA 3.18Å; G243-C253 VanDerWaalsContact CA-SG 3.52Å; G243-C253 PolarHBondContact O-N 3.03Å; G243-C253 PolarHBondContact O-SG 2.71Å; G243-G259 PolarHBondContact N-O 3.41Å; G243-G259 VanDerWaalsContact N-O 3.13Å; G243-S277 WeakPolarHBondContact CA-O 3.25Å; G243-S277 PolarHBondContact N-O 2.84Å; G243-S277 VanDerWaalsContact N-O 3.16Å |
| 244 | Y | 93.5 | Very high | 90.9 | Very high | 57 Ų | 57 | 58.4 Ų | 58.4 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.9 | -175.8 | -65.9 | -95.5 | 0 | 0 | 0 | 114.1 | H228 C240 H241 C249 R251 T252 S261 | H228-Y244 HydrophobicContact CB-CD1 3.76Å; H228-Y244 HydrophobicContact CB-CD2 4.14Å; H228-Y244 HydrophobicContact CB-CE1 3.86Å; H228-Y244 HydrophobicContact CB-CE2 4.26Å; H228-Y244 HydrophobicContact CB-CG 3.89Å; H228-Y244 AromaticContact CD2-CD1 3.86Å; H228-Y244 AromaticContact CD2-CE1 3.13Å; H228-Y244 WeakPolarHBondContact CD2-CE1 3.3Å; H228-Y244 AromaticContact CD2-CZ 3.45Å; H228-Y244 VanDerWaalsContact CD2-CZ 3.45Å; H228-Y244 AromaticContact CE1-CZ 3.67Å; H228-Y244 PolarHBondContact CE1-OH 2.98Å; H228-Y244 AromaticContact CG-CD1 3.89Å; H228-Y244 AromaticContact CG-CE1 3.43Å; H228-Y244 VanDerWaalsContact CG-CE1 3.43Å; H228-Y244 AromaticContact CG-CE2 3.96Å; H228-Y244 AromaticContact CG-CZ 3.46Å; H228-Y244 VanDerWaalsContact CG-CZ 3.46Å; H228-Y244 AromaticContact ND1-CE2 3.98Å; H228-Y244 AromaticContact ND1-CZ 3.61Å; H228-Y244 AromaticContact NE2-CE1 3.62Å; H228-Y244 AromaticContact NE2-CZ 3.54Å; H228-Y244 PolarHBondContact NE2-OH 2.03Å; C240-Y244 VanDerWaalsContact CB-O 3.26Å; C240-Y244 WeakPolarHBondContact CB-O 3.33Å; H241-Y244 PolarHBondContact O-N 3.34Å; H241-Y244 VanDerWaalsContact O-N 3.15Å; Y244-C249 WeakPolarHBondContact CD1-O 3.15Å; Y244-R251 CarbonylContact C-O 3.57Å; Y244-R251 VanDerWaalsContact CA-O 3.26Å; Y244-R251 WeakPolarHBondContact CA-O 3.12Å; Y244-T252 HydrophobicContact CD1-CG2 4.23Å; Y244-T252 HydrophobicContact CE1-CG2 3.8Å; Y244-S261 VanDerWaalsContact O-CA 3.22Å; Y244-S261 WeakPolarHBondContact O-CA 3.36Å; Y244-S261 PolarHBondContact O-N 3.41Å |
| 245 | M | 91.6 | Very high | 91 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 19% | 0.192 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 177.7 | -175.5 | 62.4 | 179.9 | -65.8 | 0 | 0 | 113.5 | C249 R251 C262 | M245-C249 CarbonylContact O-C 3.55Å; M245-C249 WeakPolarHBondContact O-CA 3.4Å; M245-R251 HydrophobicContact CG-CB 4.02Å; M245-R251 PolarHBondContact N-O 2.97Å; M245-R251 PolarHBondContact O-N 3.22Å; M245-C262 HydrophobicContact CB-CB 4.22Å; M245-C262 VanDerWaalsContact CB-SG 3.58Å; M245-C262 HydrophobicContact CG-CB 4.41Å; M245-C262 HydrophobicContact SD-CB 3.83Å; M245-C262 VanDerWaalsContact SD-SG 3.69Å |
| 246 | G | 89.3 | Confident | 91 | Very high | 36 Ų | 36 | 57.9 Ų | 57.9 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 89.5 | 162.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S248 C249 | G246-S248 PolarHBondContact O-N 3.35Å; G246-C249 PolarHBondContact O-N 2.77Å |
| 247 | A | 87.6 | Confident | 91.2 | Very high | 99 Ų | 99 | 61.1 Ų | 61.1 | 82% | 0.818 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | C238 | C238-A247 WeakPolarHBondContact CB-O 3.25Å; C238-A247 PolarHBondContact SG-O 2.98Å |
| 248 | S | 88.8 | Confident | 91.3 | Very high | 44 Ų | 44 | 55.1 Ų | 55.1 | 31% | 0.308 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -2 | 175.2 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | K223 D225 G246 S250 | K223-S248 WeakPolarHBondContact O-CB 3.4Å; D225-S248 PolarHBondContact N-O 3.36Å; G246-S248 PolarHBondContact O-N 3.35Å; S248-S250 PolarHBondContact O-N 2.9Å; S248-S250 PolarHBondContact OG-OG 3.29Å |
| 249 | C | 92.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 59 | 16.9 | -174.7 | -54.4 | 0 | 0 | 0 | 0 | 116.5 | S229 C240 Y244 M245 G246 | S229-C249 VanDerWaalsContact CB-SG 3.54Å; C240-C249 WeakPolarHBondContact CA-SG 3Å; C240-C249 HydrophobicContact CB-CB 3.61Å; C240-C249 WeakPolarHBondContact CB-SG 3.01Å; C240-C249 PolarHBondContact N-SG 2.8Å; C240-C249 VanDerWaalsContact SG-CA 3.54Å; C240-C249 WeakPolarHBondContact SG-CB 3.49Å; C240-C249 CovalentContact SG-SG 2.04Å; C240-C249 PolarHBondContact SG-SG 3.36Å; Y244-C249 WeakPolarHBondContact CD1-O 3.15Å; M245-C249 CarbonylContact O-C 3.55Å; M245-C249 WeakPolarHBondContact O-CA 3.4Å; G246-C249 PolarHBondContact O-N 2.77Å |
| 250 | S | 90.8 | Very high | 91.4 | Very high | 70 Ų | 70 | 53.3 Ų | 53.3 | 49% | 0.49 | 33% | 0.326 | S | S | . | . | trans | -88.6 | 2.1 | -178.9 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | S248 | S248-S250 PolarHBondContact O-N 2.9Å; S248-S250 PolarHBondContact OG-OG 3.29Å | ||
| 251 | R | 91.6 | Very high | 91.2 | Very high | 122 Ų | 122 | 55 Ų | 55 | 46% | 0.46 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 136.3 | 172.2 | -67.6 | -178.9 | 57.6 | -155.2 | -12.6 | 110 | Y244 M245 E254 | Y244-R251 CarbonylContact C-O 3.57Å; Y244-R251 VanDerWaalsContact CA-O 3.26Å; Y244-R251 WeakPolarHBondContact CA-O 3.12Å; M245-R251 HydrophobicContact CG-CB 4.02Å; M245-R251 PolarHBondContact N-O 2.97Å; M245-R251 PolarHBondContact O-N 3.22Å; R251-E254 IonicContact CZ-OE1 3.67Å; R251-E254 IonicContact NH2-OE1 2.65Å; R251-E254 PolarHBondContact NH2-OE1 3.45Å |
| 252 | T | 91.6 | Very high | 91.2 | Very high | 88 Ų | 88 | 51.7 Ų | 51.7 | 54% | 0.54 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 162.8 | 167.8 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | G243 Y244 | G243-T252 CarbonylContact O-C 3.43Å; G243-T252 VanDerWaalsContact O-CA 3.3Å; G243-T252 WeakPolarHBondContact O-CA 3.18Å; Y244-T252 HydrophobicContact CD1-CG2 4.23Å; Y244-T252 HydrophobicContact CE1-CG2 3.8Å |
| 253 | C | 93.4 | Very high | 91.1 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 12% | 0.115 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 143.2 | 173.4 | -61.2 | 0 | 0 | 0 | 0 | 113 | G243 Y257 C262 | G243-C253 VanDerWaalsContact CA-SG 3.52Å; G243-C253 PolarHBondContact O-N 3.03Å; G243-C253 PolarHBondContact O-SG 2.71Å; C253-Y257 WeakPolarHBondContact CB-O 3.37Å; C253-C262 WeakPolarHBondContact CA-SG 3.07Å; C253-C262 HydrophobicContact CB-CB 3.76Å; C253-C262 WeakPolarHBondContact CB-SG 3.48Å; C253-C262 WeakPolarHBondContact SG-CB 3.27Å; C253-C262 CovalentContact SG-SG 2.02Å; C253-C262 PolarHBondContact SG-SG 2.67Å |
| 254 | E | 92.2 | Very high | 91.1 | Very high | 108 Ų | 108 | 61.4 Ų | 61.4 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 147.7 | 170 | -66.8 | 166.7 | -153.5 | 0 | 0 | 110.5 | R251 G256 Y257 | R251-E254 IonicContact CZ-OE1 3.67Å; R251-E254 IonicContact NH2-OE1 2.65Å; R251-E254 PolarHBondContact NH2-OE1 3.45Å; E254-G256 PolarHBondContact O-N 3.3Å; E254-Y257 WeakPolarHBondContact O-CB 3.34Å; E254-Y257 PolarHBondContact O-N 3.13Å |
| 255 | A | 88.8 | Confident | 91 | Very high | 89 Ų | 89 | 67.1 Ų | 67.1 | 74% | 0.736 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 131.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P274 | A255-P274 HydrophobicContact CB-CB 4.34Š|
| 256 | G | 88.7 | Confident | 91 | Very high | 29 Ų | 29 | 66.7 Ų | 66.7 | 30% | 0.299 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E254 R265 C266 | E254-G256 PolarHBondContact O-N 3.3Å; G256-R265 CarbonylContact O-C 3.32Å; G256-R265 WeakPolarHBondContact O-CA 3.3Å; G256-C266 WeakPolarHBondContact CA-SG 3.09Å; G256-C266 PolarHBondContact O-N 2.83Å |
| 257 | Y | 92.2 | Very high | 91.1 | Very high | 81 Ų | 81 | 65.9 Ų | 65.9 | 32% | 0.318 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 150.7 | 178.5 | -65.4 | -92.5 | 0 | 0 | 0 | 113 | C253 E254 C262 M264 R265 | C253-Y257 WeakPolarHBondContact CB-O 3.37Å; E254-Y257 WeakPolarHBondContact O-CB 3.34Å; E254-Y257 PolarHBondContact O-N 3.13Å; Y257-C262 WeakPolarHBondContact CD1-O 3.2Å; Y257-M264 CarbonylContact C-O 3.29Å; Y257-M264 WeakPolarHBondContact CA-O 3.49Å; Y257-M264 WeakPolarHBondContact CD1-O 3.22Å; Y257-R265 HydrophobicContact CD1-CG 3.89Å; Y257-R265 HydrophobicContact CE1-CG 3.53Å; Y257-R265 PolarHBondContact OH-NE 3.07Å; Y257-R265 PolarHBondContact OH-NH2 2.94Å |
| 258 | Y | 93.3 | Very high | 91.2 | Very high | 8 Ų | 8 | 67.3 Ų | 67.3 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 174.1 | -179.7 | 70.7 | -99.4 | 0 | 0 | 0 | 113.4 | C262 M264 R265 S276 S277 G280 R293 | Y258-C262 CarbonylContact O-C 3.57Å; Y258-C262 WeakPolarHBondContact O-CA 3.5Å; Y258-M264 HydrophobicContact CD1-CB 4.11Å; Y258-M264 HydrophobicContact CD2-CB 3.69Å; Y258-M264 HydrophobicContact CD2-CG 4.28Å; Y258-M264 HydrophobicContact CE1-CB 3.83Å; Y258-M264 HydrophobicContact CE2-CB 3.29Å; Y258-M264 HydrophobicContact CE2-CG 3.75Å; Y258-M264 HydrophobicContact CG-CB 4.05Å; Y258-M264 PolarHBondContact N-O 2.03Å; Y258-M264 WeakPolarHBondContact O-CB 3.46Å; Y258-M264 PolarHBondContact O-N 3.1Å; Y258-R265 VanDerWaalsContact CE1-C 3.41Å; Y258-R265 WeakPolarHBondContact CE1-O 3.38Å; Y258-S276 WeakPolarHBondContact CB-O 3.38Å; Y258-S277 CarbonylContact C-O 3.47Å; Y258-S277 WeakPolarHBondContact CA-O 3.38Å; Y258-S277 VanDerWaalsContact CB-O 3.23Å; Y258-S277 WeakPolarHBondContact CB-O 3.31Å; Y258-G280 VanDerWaalsContact CE1-CA 3.45Å; Y258-R293 VanDerWaalsContact CE2-NH2 3.28Å; Y258-R293 PolarHBondContact OH-NE 3.09Å; Y258-R293 PolarHBondContact OH-NH1 3.09Å |
| 259 | G | 91.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 65.5 Ų | 65.5 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 89.4 | -176.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G243 S261 C262 S277 T278 | G243-G259 PolarHBondContact N-O 3.41Å; G243-G259 VanDerWaalsContact N-O 3.13Å; G259-S261 PolarHBondContact O-N 3.1Å; G259-C262 PolarHBondContact O-N 2.62Å; G259-C262 VanDerWaalsContact O-N 3.09Å; G259-S277 PolarHBondContact N-O 3.15Å; G259-T278 PolarHBondContact N-O 2.04Å |
| 260 | S | 91.8 | Very high | 91.2 | Very high | 72 Ų | 72 | 68.3 Ų | 68.3 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -66.9 | 128 | 177.2 | 47.8 | 0 | 0 | 0 | 0 | 110.7 | C240 C262 | C240-S260 VanDerWaalsContact O-CB 3.23Å; C240-S260 WeakPolarHBondContact O-CB 3.42Å; S260-C262 PolarHBondContact O-N 2.67Å; S260-C262 VanDerWaalsContact O-N 3.14Å |
| 261 | S | 88.6 | Confident | 91.1 | Very high | 45 Ų | 45 | 70.1 Ų | 70.1 | 32% | 0.315 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | 57.7 | 18.4 | -170.5 | -45 | 0 | 0 | 0 | 0 | 114.8 | Y244 G259 K263 | Y244-S261 VanDerWaalsContact O-CA 3.22Å; Y244-S261 WeakPolarHBondContact O-CA 3.36Å; Y244-S261 PolarHBondContact O-N 3.41Å; G259-S261 PolarHBondContact O-N 3.1Å; S261-K263 VanDerWaalsContact C-N 3.25Å; S261-K263 PolarHBondContact O-N 2.78Å; S261-K263 VanDerWaalsContact O-N 3.16Å |
| 262 | C | 92.3 | Very high | 90.8 | Very high | 10 Ų | 10 | 73 Ų | 73 | 7% | 0.068 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | 55.7 | 32.2 | 172.4 | -48.2 | 0 | 0 | 0 | 0 | 115.1 | M245 C253 Y257 Y258 G259 S260 | M245-C262 HydrophobicContact CB-CB 4.22Å; M245-C262 VanDerWaalsContact CB-SG 3.58Å; M245-C262 HydrophobicContact CG-CB 4.41Å; M245-C262 HydrophobicContact SD-CB 3.83Å; M245-C262 VanDerWaalsContact SD-SG 3.69Å; C253-C262 WeakPolarHBondContact CA-SG 3.07Å; C253-C262 HydrophobicContact CB-CB 3.76Å; C253-C262 WeakPolarHBondContact CB-SG 3.48Å; C253-C262 WeakPolarHBondContact SG-CB 3.27Å; C253-C262 CovalentContact SG-SG 2.02Å; C253-C262 PolarHBondContact SG-SG 2.67Å; Y257-C262 WeakPolarHBondContact CD1-O 3.2Å; Y258-C262 CarbonylContact O-C 3.57Å; Y258-C262 WeakPolarHBondContact O-CA 3.5Å; G259-C262 PolarHBondContact O-N 2.62Å; G259-C262 VanDerWaalsContact O-N 3.09Å; S260-C262 PolarHBondContact O-N 2.67Å; S260-C262 VanDerWaalsContact O-N 3.14Å |
| 263 | K | 92 | Very high | 90.6 | Very high | 168 Ų | 168 | 76.4 Ų | 76.4 | 73% | 0.73 | 39% | 0.385 | S | S | * | . | trans | -78.6 | -17.8 | -175 | -67.3 | 175.8 | 179.7 | 169.8 | 0 | 114.1 | S261 | S261-K263 VanDerWaalsContact C-N 3.25Å; S261-K263 PolarHBondContact O-N 2.78Å; S261-K263 VanDerWaalsContact O-N 3.16Å | ||
| 264 | M | 91.4 | Very high | 90.3 | Very high | 97 Ų | 97 | 80.2 Ų | 80.2 | 48% | 0.478 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 151.4 | -177.5 | -56.9 | -64.1 | -69.4 | 0 | 0 | 110.7 | Y257 Y258 | Y257-M264 CarbonylContact C-O 3.29Å; Y257-M264 WeakPolarHBondContact CA-O 3.49Å; Y257-M264 WeakPolarHBondContact CD1-O 3.22Å; Y258-M264 HydrophobicContact CD1-CB 4.11Å; Y258-M264 HydrophobicContact CD2-CB 3.69Å; Y258-M264 HydrophobicContact CD2-CG 4.28Å; Y258-M264 HydrophobicContact CE1-CB 3.83Å; Y258-M264 HydrophobicContact CE2-CB 3.29Å; Y258-M264 HydrophobicContact CE2-CG 3.75Å; Y258-M264 HydrophobicContact CG-CB 4.05Å; Y258-M264 PolarHBondContact N-O 2.03Å; Y258-M264 WeakPolarHBondContact O-CB 3.46Å; Y258-M264 PolarHBondContact O-N 3.1Å |
| 265 | R | 91.8 | Very high | 90.3 | Very high | 178 Ų | 178 | 75.7 Ų | 75.7 | 67% | 0.672 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 138.7 | 178.1 | -71.7 | -179.9 | 173.1 | 176.2 | 1.6 | 111.5 | G256 Y257 Y258 | G256-R265 CarbonylContact O-C 3.32Å; G256-R265 WeakPolarHBondContact O-CA 3.3Å; Y257-R265 HydrophobicContact CD1-CG 3.89Å; Y257-R265 HydrophobicContact CE1-CG 3.53Å; Y257-R265 PolarHBondContact OH-NE 3.07Å; Y257-R265 PolarHBondContact OH-NH2 2.94Å; Y258-R265 VanDerWaalsContact CE1-C 3.41Å; Y258-R265 WeakPolarHBondContact CE1-O 3.38Å |
| 266 | C | 91.9 | Very high | 90.6 | Very high | 30 Ų | 30 | 73.4 Ų | 73.4 | 20% | 0.203 | 37% | 0.369 | C | S | . | . | trans | -54.3 | 147.9 | 171.2 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | G256 C275 | G256-C266 WeakPolarHBondContact CA-SG 3.09Å; G256-C266 PolarHBondContact O-N 2.83Å; C266-C275 VanDerWaalsContact CA-SG 3.58Å; C266-C275 HydrophobicContact CB-CB 3.72Å; C266-C275 WeakPolarHBondContact CB-SG 3.22Å; C266-C275 WeakPolarHBondContact SG-CB 3.15Å; C266-C275 CovalentContact SG-SG 2.03Å; C266-C275 PolarHBondContact SG-SG 2.85Å | ||
| 267 | G | 89.5 | Confident | 90.7 | Very high | 18 Ų | 18 | 74.2 Ų | 74.2 | 19% | 0.186 | 37% | 0.37 | C | S | . | . | trans | -79.1 | -167.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C269 R293 C294 | G267-C269 PolarHBondContact O-N 3.32Å; G267-C269 VanDerWaalsContact O-N 3.09Å; G267-R293 VanDerWaalsContact CA-O 3.22Å; G267-R293 WeakPolarHBondContact CA-O 2.93Å; G267-R293 PolarHBondContact N-O 2.03Å; G267-C294 WeakPolarHBondContact CA-O 3.23Å | ||
| 268 | F | 90.4 | Very high | 90.7 | Very high | 130 Ų | 130 | 73.1 Ų | 73.1 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | trans | -88 | 80.7 | -172.2 | -54.1 | -94.4 | 0 | 0 | 0 | 111.5 | E286 L289 C294 | F268-E286 HydrophobicContact CB-CG 4.15Å; F268-E286 PolarHBondContact O-N 2.92Å; F268-E286 VanDerWaalsContact O-N 3.07Å; F268-L289 HydrophobicContact CB-CD1 3.58Å; F268-L289 HydrophobicContact CD2-CD1 3.7Å; F268-L289 HydrophobicContact CG-CD1 3.97Å; F268-C294 PolarHBondContact N-O 3Å; F268-C294 VanDerWaalsContact O-CB 3.3Å; F268-C294 WeakPolarHBondContact O-CB 3.26Å | ||
| 269 | C | 91.2 | Very high | 90.6 | Very high | 5 Ų | 5 | 77.1 Ų | 77.1 | 3% | 0.034 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -63.2 | 145.8 | 171.2 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | G267 K272 R273 C275 C282 | G267-C269 PolarHBondContact O-N 3.32Å; G267-C269 VanDerWaalsContact O-N 3.09Å; C269-K272 PolarHBondContact O-N 3.45Å; C269-K272 VanDerWaalsContact O-N 3.08Å; C269-R273 VanDerWaalsContact CB-O 3.31Å; C269-R273 WeakPolarHBondContact CB-O 3.47Å; C269-C275 VanDerWaalsContact SG-CB 3.59Å; C269-C282 WeakPolarHBondContact CA-SG 3.31Å; C269-C282 HydrophobicContact CB-CB 3.68Å; C269-C282 WeakPolarHBondContact CB-SG 3.47Å; C269-C282 WeakPolarHBondContact SG-CB 3.44Å; C269-C282 CovalentContact SG-SG 2.03Å; C269-C282 PolarHBondContact SG-SG 3.43Å |
| 270 | K | 90.3 | Very high | 90.6 | Very high | 59 Ų | 59 | 76.7 Ų | 76.7 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -53.1 | 142 | 175.3 | -158.8 | 171.2 | -170.9 | 176.1 | 0 | 111.6 | K272 R273 A284 E305 | K270-K272 PolarHBondContact O-N 2.75Å; K270-K272 VanDerWaalsContact O-N 3.09Å; K270-R273 VanDerWaalsContact O-CG 3.31Å; K270-R273 WeakPolarHBondContact O-CG 3.26Å; K270-R273 PolarHBondContact O-N 3.35Å; K270-R273 VanDerWaalsContact O-N 3.17Å; K270-A284 HydrophobicContact CB-CB 4Å; K270-A284 HydrophobicContact CD-CB 4.01Å; K270-A284 PolarHBondContact N-O 2.8Å; K270-E305 WeakPolarHBondContact CE-OE1 3.49Å; K270-E305 IonicContact NZ-OE1 3.8Å; K270-E305 PolarHBondContact NZ-OE1 3.05Å; K270-E305 IonicContact NZ-OE2 3.47Å; K270-E305 PolarHBondContact NZ-OE2 3.27Å |
| 271 | D | 88.4 | Confident | 90.6 | Very high | 108 Ų | 108 | 74.9 Ų | 74.9 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | 53.9 | 19.4 | -174.3 | -36.1 | -43.1 | 0 | 0 | 0 | 115.2 | R273 | D271-R273 HydrophobicContact CB-CG 4.22Å; D271-R273 PolarHBondContact O-N 2.8Å; D271-R273 IonicContact OD2-CZ 2.68Å; D271-R273 VanDerWaalsContact OD2-CZ 3.22Å; D271-R273 IonicContact OD2-NE 2.7Å; D271-R273 PolarHBondContact OD2-NE 3.18Å; D271-R273 IonicContact OD2-NH2 3.97Å; D271-R273 PolarHBondContact OD2-NH2 3.18Å |
| 272 | K | 84.9 | Confident | 90.8 | Very high | 184 Ų | 184 | 73.7 Ų | 73.7 | 80% | 0.8 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | 57.9 | 26.7 | -173.2 | -53 | 174.7 | -176.4 | 173.3 | 0 | 113.6 | C269 K270 | C269-K272 PolarHBondContact O-N 3.45Å; C269-K272 VanDerWaalsContact O-N 3.08Å; K270-K272 PolarHBondContact O-N 2.75Å; K270-K272 VanDerWaalsContact O-N 3.09Å |
| 273 | R | 86.6 | Confident | 90.6 | Very high | 158 Ų | 158 | 80.3 Ų | 80.3 | 60% | 0.596 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 145.7 | 175.7 | -65.5 | 172.4 | -166.5 | -134.1 | 4.5 | 110.3 | C269 K270 D271 C275 | C269-R273 VanDerWaalsContact CB-O 3.31Å; C269-R273 WeakPolarHBondContact CB-O 3.47Å; K270-R273 VanDerWaalsContact O-CG 3.31Å; K270-R273 WeakPolarHBondContact O-CG 3.26Å; K270-R273 PolarHBondContact O-N 3.35Å; K270-R273 VanDerWaalsContact O-N 3.17Å; D271-R273 HydrophobicContact CB-CG 4.22Å; D271-R273 PolarHBondContact O-N 2.8Å; D271-R273 IonicContact OD2-CZ 2.68Å; D271-R273 VanDerWaalsContact OD2-CZ 3.22Å; D271-R273 IonicContact OD2-NE 2.7Å; D271-R273 PolarHBondContact OD2-NE 3.18Å; D271-R273 IonicContact OD2-NH2 3.97Å; D271-R273 PolarHBondContact OD2-NH2 3.18Å; R273-C275 PolarHBondContact O-N 2.94Å |
| 274 | P | 88.8 | Confident | 90.4 | Very high | 97 Ų | 97 | 73.8 Ų | 73.8 | 63% | 0.63 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 137.1 | 175.3 | 27.3 | -34.4 | 0 | 0 | 0 | 110.6 | A255 | A255-P274 HydrophobicContact CB-CB 4.34Š|
| 275 | C | 92.3 | Very high | 90.4 | Very high | 13 Ų | 13 | 69.6 Ų | 69.6 | 9% | 0.088 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 164.1 | 171 | 78.5 | 0 | 0 | 0 | 0 | 111.5 | C266 C269 R273 S277 G280 A281 | C266-C275 VanDerWaalsContact CA-SG 3.58Å; C266-C275 HydrophobicContact CB-CB 3.72Å; C266-C275 WeakPolarHBondContact CB-SG 3.22Å; C266-C275 WeakPolarHBondContact SG-CB 3.15Å; C266-C275 CovalentContact SG-SG 2.03Å; C266-C275 PolarHBondContact SG-SG 2.85Å; C269-C275 VanDerWaalsContact SG-CB 3.59Å; R273-C275 PolarHBondContact O-N 2.94Å; C275-S277 PolarHBondContact O-N 2.05Å; C275-G280 WeakPolarHBondContact CB-O 3.37Å; C275-A281 CarbonylContact C-O 3.5Å; C275-A281 WeakPolarHBondContact CA-O 3.26Å; C275-A281 WeakPolarHBondContact CB-O 3.27Å |
| 276 | S | 93.7 | Very high | 90.4 | Very high | 42 Ų | 42 | 63.6 Ų | 63.6 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -55 | 121.3 | 171.9 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | Y258 T278 D279 G280 A281 | Y258-S276 WeakPolarHBondContact CB-O 3.38Å; S276-T278 PolarHBondContact O-N 2.79Å; S276-T278 PolarHBondContact OG-N 3.18Å; S276-D279 PolarHBondContact O-N 2.97Å; S276-G280 VanDerWaalsContact O-CA 3.31Å; S276-G280 WeakPolarHBondContact O-CA 3.36Å; S276-G280 PolarHBondContact O-N 3.45Å; S276-A281 PolarHBondContact N-O 3.1Å |
| 277 | S | 92.3 | Very high | 90.3 | Very high | 45 Ų | 45 | 64.3 Ų | 64.3 | 32% | 0.315 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.7 | 177.6 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | G243 Y258 G259 C275 | G243-S277 WeakPolarHBondContact CA-O 3.25Å; G243-S277 PolarHBondContact N-O 2.84Å; G243-S277 VanDerWaalsContact N-O 3.16Å; Y258-S277 CarbonylContact C-O 3.47Å; Y258-S277 WeakPolarHBondContact CA-O 3.38Å; Y258-S277 VanDerWaalsContact CB-O 3.23Å; Y258-S277 WeakPolarHBondContact CB-O 3.31Å; G259-S277 PolarHBondContact N-O 3.15Å; C275-S277 PolarHBondContact O-N 2.05Å |
| 278 | T | 91.4 | Very high | 90.3 | Very high | 58 Ų | 58 | 63.6 Ų | 63.6 | 36% | 0.356 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -59.9 | 176 | -45.3 | 0 | 0 | 0 | 0 | 110.8 | P242 G259 S276 | P242-T278 HydrophobicContact CB-CG2 3.83Å; P242-T278 VanDerWaalsContact CB-O 3.26Å; P242-T278 WeakPolarHBondContact CB-O 3.28Å; G259-T278 PolarHBondContact N-O 2.04Å; S276-T278 PolarHBondContact O-N 2.79Å; S276-T278 PolarHBondContact OG-N 3.18Å |
| 279 | D | 91.8 | Very high | 90.3 | Very high | 93 Ų | 93 | 58.6 Ų | 58.6 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -16.1 | -161.7 | -47.7 | -64 | 0 | 0 | 0 | 114.5 | S276 R293 | S276-D279 PolarHBondContact O-N 2.97Å; D279-R293 PolarHBondContact O-NE 3.17Å; D279-R293 PolarHBondContact O-NH2 3.08Å |
| 280 | G | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | 87.3 | 8.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y258 C275 S276 | Y258-G280 VanDerWaalsContact CE1-CA 3.45Å; C275-G280 WeakPolarHBondContact CB-O 3.37Å; S276-G280 VanDerWaalsContact O-CA 3.31Å; S276-G280 WeakPolarHBondContact O-CA 3.36Å; S276-G280 PolarHBondContact O-N 3.45Å | ||
| 281 | A | 92.3 | Very high | 90 | Very high | 34 Ų | 34 | 59.8 Ų | 59.8 | 28% | 0.281 | 34% | 0.338 | S | S | . | . | trans | -74.6 | 137.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C275 S276 T292 | C275-A281 CarbonylContact C-O 3.5Å; C275-A281 WeakPolarHBondContact CA-O 3.26Å; C275-A281 WeakPolarHBondContact CB-O 3.27Å; S276-A281 PolarHBondContact N-O 3.1Å; A281-T292 CarbonylContact C-O 3.57Å; A281-T292 WeakPolarHBondContact CA-O 3.4Å | ||
| 282 | C | 91.6 | Very high | 90 | Very high | 20 Ų | 20 | 60 Ų | 60 | 14% | 0.135 | 34% | 0.343 | C | S | . | . | trans | -98.3 | 155.1 | 170.2 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | C269 T292 C294 | C269-C282 WeakPolarHBondContact CA-SG 3.31Å; C269-C282 HydrophobicContact CB-CB 3.68Å; C269-C282 WeakPolarHBondContact CB-SG 3.47Å; C269-C282 WeakPolarHBondContact SG-CB 3.44Å; C269-C282 CovalentContact SG-SG 2.03Å; C269-C282 PolarHBondContact SG-SG 3.43Å; C282-T292 PolarHBondContact N-O 3.38Å; C282-C294 WeakPolarHBondContact CB-SG 3.37Å | ||
| 283 | V | 88 | Confident | 90.3 | Very high | 150 Ų | 150 | 55.1 Ų | 55.1 | 91% | 0.909 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -77.4 | -32.5 | 172.5 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 284 | A | 88.3 | Confident | 90.5 | Very high | 31 Ų | 31 | 47.6 Ų | 47.6 | 26% | 0.256 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -155.9 | 158.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109 | K270 | K270-A284 HydrophobicContact CB-CB 4Å; K270-A284 HydrophobicContact CD-CB 4.01Å; K270-A284 PolarHBondContact N-O 2.8Å |
| 285 | C | 91.4 | Very high | 90.6 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -95.8 | 161.7 | 178.9 | -60.7 | 0 | 0 | 0 | 0 | 113.3 | L289 G291 C294 | C285-L289 HydrophobicContact CB-CB 4.16Å; C285-G291 PolarHBondContact SG-O 2.7Å; C285-C294 WeakPolarHBondContact CA-SG 3.31Å; C285-C294 HydrophobicContact CB-CB 3.66Å; C285-C294 WeakPolarHBondContact CB-SG 3.05Å; C285-C294 WeakPolarHBondContact SG-CA 3.07Å; C285-C294 WeakPolarHBondContact SG-CB 3.31Å; C285-C294 CovalentContact SG-SG 2.03Å; C285-C294 PolarHBondContact SG-SG 3.16Å |
| 286 | E | 91.1 | Very high | 90.5 | Very high | 52 Ų | 52 | 51.8 Ų | 51.8 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -61 | 148.4 | 154.8 | -69.7 | -168.2 | 176.5 | 0 | 0 | 110.4 | F268 G288 L289 K323 | F268-E286 HydrophobicContact CB-CG 4.15Å; F268-E286 PolarHBondContact O-N 2.92Å; F268-E286 VanDerWaalsContact O-N 3.07Å; E286-G288 PolarHBondContact O-N 3.5Å; E286-L289 HydrophobicContact CB-CD1 4.41Å; E286-L289 PolarHBondContact O-N 2.88Å; E286-K323 IonicContact OE2-NZ 2.91Å; E286-K323 PolarHBondContact OE2-NZ 3.43Å |
| 287 | P | 90.4 | Very high | 90.3 | Very high | 45 Ų | 45 | 54.2 Ų | 54.2 | 29% | 0.292 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 140.8 | 175.2 | -25.8 | 33.2 | 0 | 0 | 0 | 112.6 | G304 E305 K323 | P287-G304 WeakPolarHBondContact CA-O 3.44Å; P287-E305 HydrophobicContact CG-CG 4.15Å; P287-K323 WeakPolarHBondContact O-CD 3.36Å; P287-K323 WeakPolarHBondContact O-CE 3.47Å; P287-K323 VanDerWaalsContact O-CG 3.31Å; P287-K323 WeakPolarHBondContact O-CG 3.13Å |
| 288 | G | 88.6 | Confident | 90.2 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 2.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | E286 C298 G304 P322 | E286-G288 PolarHBondContact O-N 3.5Å; G288-C298 VanDerWaalsContact CA-SG 3.5Å; G288-C298 PolarHBondContact O-N 3.24Å; G288-G304 PolarHBondContact N-O 3.43Å; G288-P322 VanDerWaalsContact CA-C 3.43Å; G288-P322 WeakPolarHBondContact CA-O 3.19Å; G288-P322 PolarHBondContact N-O 2.99Å |
| 289 | L | 91.2 | Very high | 90 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 13% | 0.131 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 150.5 | 173.2 | -67.3 | 165.4 | 0 | 0 | 0 | 111.3 | F268 C285 E286 C294 Q296 | F268-L289 HydrophobicContact CB-CD1 3.58Å; F268-L289 HydrophobicContact CD2-CD1 3.7Å; F268-L289 HydrophobicContact CG-CD1 3.97Å; C285-L289 HydrophobicContact CB-CB 4.16Å; E286-L289 HydrophobicContact CB-CD1 4.41Å; E286-L289 PolarHBondContact O-N 2.88Å; L289-C294 HydrophobicContact CB-CB 4.41Å; L289-Q296 CarbonylContact C-O 3.51Å; L289-Q296 VanDerWaalsContact CA-O 3.26Å; L289-Q296 WeakPolarHBondContact CA-O 3.14Å; L289-Q296 VanDerWaalsContact CD2-O 3.26Å; L289-Q296 WeakPolarHBondContact CD2-O 3.34Å |
| 290 | N | 88.1 | Confident | 89.6 | Confident | 62 Ų | 62 | 51.9 Ų | 51.9 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 176.4 | -175.4 | -151.6 | -18.1 | 0 | 0 | 0 | 111.1 | Q296 C307 | N290-Q296 PolarHBondContact N-O 3.24Å; N290-C307 VanDerWaalsContact CB-SG 3.57Å |
| 291 | G | 87.4 | Confident | 89.3 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 156.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C285 R293 C294 | C285-G291 PolarHBondContact SG-O 2.7Å; G291-R293 PolarHBondContact O-N 2.89Å; G291-C294 PolarHBondContact O-N 3.35Å; G291-C294 VanDerWaalsContact O-N 3.16Å |
| 292 | T | 89.1 | Confident | 89.2 | Confident | 112 Ų | 112 | 55.3 Ų | 55.3 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -10 | -176.4 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | A281 C282 | A281-T292 CarbonylContact C-O 3.57Å; A281-T292 WeakPolarHBondContact CA-O 3.4Å; C282-T292 PolarHBondContact N-O 3.38Å |
| 293 | R | 90.5 | Very high | 89.1 | Confident | 81 Ų | 81 | 55.6 Ų | 55.6 | 31% | 0.306 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -10.4 | -177.6 | -66.7 | 179.4 | 155.4 | 176.6 | -0.6 | 114.7 | Y258 G267 D279 G291 D295 | Y258-R293 VanDerWaalsContact CE2-NH2 3.28Å; Y258-R293 PolarHBondContact OH-NE 3.09Å; Y258-R293 PolarHBondContact OH-NH1 3.09Å; G267-R293 VanDerWaalsContact CA-O 3.22Å; G267-R293 WeakPolarHBondContact CA-O 2.93Å; G267-R293 PolarHBondContact N-O 2.03Å; D279-R293 PolarHBondContact O-NE 3.17Å; D279-R293 PolarHBondContact O-NH2 3.08Å; G291-R293 PolarHBondContact O-N 2.89Å; R293-D295 VanDerWaalsContact C-N 3.25Å; R293-D295 HydrophobicContact CB-CB 4.38Å; R293-D295 WeakPolarHBondContact CB-OD1 3.16Å; R293-D295 WeakPolarHBondContact CD-OD2 3.01Å; R293-D295 PolarHBondContact O-N 2.77Å |
| 294 | C | 91.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.007 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 39.3 | -176.2 | -44 | 0 | 0 | 0 | 0 | 113.2 | G267 F268 C282 C285 L289 G291 | G267-C294 WeakPolarHBondContact CA-O 3.23Å; F268-C294 PolarHBondContact N-O 3Å; F268-C294 VanDerWaalsContact O-CB 3.3Å; F268-C294 WeakPolarHBondContact O-CB 3.26Å; C282-C294 WeakPolarHBondContact CB-SG 3.37Å; C285-C294 WeakPolarHBondContact CA-SG 3.31Å; C285-C294 HydrophobicContact CB-CB 3.66Å; C285-C294 WeakPolarHBondContact CB-SG 3.05Å; C285-C294 WeakPolarHBondContact SG-CA 3.07Å; C285-C294 WeakPolarHBondContact SG-CB 3.31Å; C285-C294 CovalentContact SG-SG 2.03Å; C285-C294 PolarHBondContact SG-SG 3.16Å; L289-C294 HydrophobicContact CB-CB 4.41Å; G291-C294 PolarHBondContact O-N 3.35Å; G291-C294 VanDerWaalsContact O-N 3.16Å |
| 295 | D | 89.8 | Confident | 89 | Confident | 81 Ų | 81 | 51.6 Ų | 51.6 | 43% | 0.433 | 30% | 0.299 | S | S | . | . | trans | -108.4 | -6.9 | 177.1 | 58.4 | -8 | 0 | 0 | 0 | 113 | R293 | R293-D295 VanDerWaalsContact C-N 3.25Å; R293-D295 HydrophobicContact CB-CB 4.38Å; R293-D295 WeakPolarHBondContact CB-OD1 3.16Å; R293-D295 WeakPolarHBondContact CD-OD2 3.01Å; R293-D295 PolarHBondContact O-N 2.77Å | ||
| 296 | Q | 89.9 | Confident | 88.7 | Confident | 116 Ų | 116 | 54.3 Ų | 54.3 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.8 | 178 | -62.3 | -180 | -6.6 | 0 | 0 | 110.8 | L289 N290 | L289-Q296 CarbonylContact C-O 3.51Å; L289-Q296 VanDerWaalsContact CA-O 3.26Å; L289-Q296 WeakPolarHBondContact CA-O 3.14Å; L289-Q296 VanDerWaalsContact CD2-O 3.26Å; L289-Q296 WeakPolarHBondContact CD2-O 3.34Å; N290-Q296 PolarHBondContact N-O 3.24Å |
| 297 | P | 89.1 | Confident | 88.6 | Confident | 94 Ų | 94 | 52.2 Ų | 52.2 | 61% | 0.61 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 164.7 | 169.8 | 31.6 | -35.4 | 0 | 0 | 0 | 111.8 | ||
| 298 | C | 90.5 | Very high | 88.5 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 151.6 | 169.4 | -68.9 | 0 | 0 | 0 | 0 | 112.9 | G288 F302 C307 P322 | G288-C298 VanDerWaalsContact CA-SG 3.5Å; G288-C298 PolarHBondContact O-N 3.24Å; C298-F302 VanDerWaalsContact CB-O 3.25Å; C298-F302 WeakPolarHBondContact CB-O 3.36Å; C298-C307 WeakPolarHBondContact CA-SG 3.29Å; C298-C307 HydrophobicContact CB-CB 3.74Å; C298-C307 WeakPolarHBondContact CB-SG 3.03Å; C298-C307 WeakPolarHBondContact SG-CB 3.19Å; C298-C307 CovalentContact SG-SG 2.03Å; C298-C307 PolarHBondContact SG-SG 3.36Å; C298-P322 HydrophobicContact CB-CB 3.91Å |
| 299 | A | 87.8 | Confident | 88.5 | Confident | 55 Ų | 55 | 60.3 Ų | 60.3 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -63 | 155.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | G301 F302 | A299-G301 PolarHBondContact O-N 3.31Å; A299-F302 HydrophobicContact CB-CD2 4.07Å; A299-F302 PolarHBondContact O-N 2.98Å |
| 300 | S | 83.8 | Confident | 88.3 | Confident | 75 Ų | 75 | 65.9 Ų | 65.9 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 128.3 | 176 | -57.9 | 0 | 0 | 0 | 0 | 109.5 | R319 | S300-R319 PolarHBondContact OG-NE 2.91Š|
| 301 | G | 85.4 | Confident | 88.3 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 7.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A299 K310 C311 | A299-G301 PolarHBondContact O-N 3.31Å; G301-K310 CarbonylContact O-C 3.57Å; G301-K310 WeakPolarHBondContact O-CA 3.48Å; G301-C311 VanDerWaalsContact CA-SG 3.57Å; G301-C311 PolarHBondContact O-N 2.86Å |
| 302 | F | 88.8 | Confident | 88.2 | Confident | 76 Ų | 76 | 64 Ų | 64 | 33% | 0.333 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 149.8 | 177.7 | -66.3 | -93.5 | 0 | 0 | 0 | 113.1 | C298 A299 C307 D309 K310 | C298-F302 VanDerWaalsContact CB-O 3.25Å; C298-F302 WeakPolarHBondContact CB-O 3.36Å; A299-F302 HydrophobicContact CB-CD2 4.07Å; A299-F302 PolarHBondContact O-N 2.98Å; F302-C307 HydrophobicContact CB-CB 4.27Å; F302-C307 VanDerWaalsContact CD1-O 3.31Å; F302-C307 WeakPolarHBondContact CD1-O 3.22Å; F302-D309 CarbonylContact C-O 3.56Å; F302-D309 VanDerWaalsContact CA-O 3.24Å; F302-D309 WeakPolarHBondContact CA-O 3.03Å; F302-K310 HydrophobicContact CD1-CG 4.18Å; F302-K310 HydrophobicContact CE1-CG 3.74Å; F302-K310 HydrophobicContact CZ-CG 4.29Å |
| 303 | Y | 90.1 | Very high | 88 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 11% | 0.106 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 179.7 | 178.8 | 76.4 | -91.9 | 0 | 0 | 0 | 111.9 | C307 D309 K310 P322 G325 R338 | Y303-C307 CarbonylContact O-C 3.56Å; Y303-C307 WeakPolarHBondContact O-CA 3.5Å; Y303-D309 HydrophobicContact CD1-CB 4Å; Y303-D309 HydrophobicContact CD2-CB 4.07Å; Y303-D309 HydrophobicContact CE1-CB 3.67Å; Y303-D309 HydrophobicContact CE2-CB 3.69Å; Y303-D309 HydrophobicContact CG-CB 4.18Å; Y303-D309 VanDerWaalsContact CZ-CB 3.47Å; Y303-D309 PolarHBondContact N-O 2.82Å; Y303-D309 PolarHBondContact O-N 3.49Å; Y303-K310 VanDerWaalsContact CE1-O 3.28Å; Y303-K310 WeakPolarHBondContact CE1-O 3.43Å; Y303-P322 CarbonylContact C-O 3.48Å; Y303-P322 VanDerWaalsContact CA-O 3.31Å; Y303-P322 WeakPolarHBondContact CA-O 3.48Å; Y303-P322 VanDerWaalsContact CB-O 3.3Å; Y303-P322 WeakPolarHBondContact CB-O 3.38Å; Y303-G325 VanDerWaalsContact CD2-CA 3.44Å; Y303-R338 PolarHBondContact OH-NE 3.34Å; Y303-R338 PolarHBondContact OH-NH2 2.04Å |
| 304 | G | 87.5 | Confident | 87.7 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 6% | 0.062 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 92.1 | -154.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P287 G288 P322 | P287-G304 WeakPolarHBondContact CA-O 3.44Å; G288-G304 PolarHBondContact N-O 3.43Å; G304-P322 PolarHBondContact N-O 2.57Å |
| 305 | E | 87.6 | Confident | 87.4 | Confident | 90 Ų | 90 | 62 Ų | 62 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -79.7 | 132.8 | 175 | -67 | -158.8 | -178.9 | 0 | 0 | 111.1 | K270 P287 C307 K308 | K270-E305 WeakPolarHBondContact CE-OE1 3.49Å; K270-E305 IonicContact NZ-OE1 3.8Å; K270-E305 PolarHBondContact NZ-OE1 3.05Å; K270-E305 IonicContact NZ-OE2 3.47Å; K270-E305 PolarHBondContact NZ-OE2 3.27Å; P287-E305 HydrophobicContact CG-CG 4.15Å; E305-C307 PolarHBondContact O-N 2.95Å; E305-K308 PolarHBondContact O-N 2.88Å |
| 306 | D | 84.1 | Confident | 86.8 | Confident | 66 Ų | 66 | 63.9 Ų | 63.9 | 35% | 0.353 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | 49.8 | 20.9 | -172.1 | -49.5 | -36.5 | 0 | 0 | 0 | 114.5 | K308 | D306-K308 VanDerWaalsContact C-N 3.25Å; D306-K308 HydrophobicContact CB-CD 4.01Å; D306-K308 HydrophobicContact CB-CG 4.19Å; D306-K308 PolarHBondContact O-N 3.37Å; D306-K308 IonicContact OD2-NZ 3.94Å; D306-K308 PolarHBondContact OD2-NZ 3.23Å |
| 307 | C | 89.1 | Confident | 86 | Confident | 9 Ų | 9 | 63.7 Ų | 63.7 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | 54.2 | 35.4 | -176.4 | -50.3 | 0 | 0 | 0 | 0 | 114.3 | N290 C298 F302 Y303 E305 | N290-C307 VanDerWaalsContact CB-SG 3.57Å; C298-C307 WeakPolarHBondContact CA-SG 3.29Å; C298-C307 HydrophobicContact CB-CB 3.74Å; C298-C307 WeakPolarHBondContact CB-SG 3.03Å; C298-C307 WeakPolarHBondContact SG-CB 3.19Å; C298-C307 CovalentContact SG-SG 2.03Å; C298-C307 PolarHBondContact SG-SG 3.36Å; F302-C307 HydrophobicContact CB-CB 4.27Å; F302-C307 VanDerWaalsContact CD1-O 3.31Å; F302-C307 WeakPolarHBondContact CD1-O 3.22Å; Y303-C307 CarbonylContact O-C 3.56Å; Y303-C307 WeakPolarHBondContact O-CA 3.5Å; E305-C307 PolarHBondContact O-N 2.95Å |
| 308 | K | 88.3 | Confident | 85.4 | Confident | 143 Ų | 143 | 63.5 Ų | 63.5 | 62% | 0.622 | 34% | 0.34 | S | S | * | . | trans | -79.3 | -27.6 | -177.4 | -73.5 | 160.8 | 177.1 | 157.3 | 0 | 113.7 | E305 D306 | E305-K308 PolarHBondContact O-N 2.88Å; D306-K308 VanDerWaalsContact C-N 3.25Å; D306-K308 HydrophobicContact CB-CD 4.01Å; D306-K308 HydrophobicContact CB-CG 4.19Å; D306-K308 PolarHBondContact O-N 3.37Å; D306-K308 IonicContact OD2-NZ 3.94Å; D306-K308 PolarHBondContact OD2-NZ 3.23Å | ||
| 309 | D | 88.6 | Confident | 84.8 | Confident | 75 Ų | 75 | 71.4 Ų | 71.4 | 40% | 0.401 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 129.9 | -175.3 | -57.4 | -45.4 | 0 | 0 | 0 | 110.1 | F302 Y303 | F302-D309 CarbonylContact C-O 3.56Å; F302-D309 VanDerWaalsContact CA-O 3.24Å; F302-D309 WeakPolarHBondContact CA-O 3.03Å; Y303-D309 HydrophobicContact CD1-CB 4Å; Y303-D309 HydrophobicContact CD2-CB 4.07Å; Y303-D309 HydrophobicContact CE1-CB 3.67Å; Y303-D309 HydrophobicContact CE2-CB 3.69Å; Y303-D309 HydrophobicContact CG-CB 4.18Å; Y303-D309 VanDerWaalsContact CZ-CB 3.47Å; Y303-D309 PolarHBondContact N-O 2.82Å; Y303-D309 PolarHBondContact O-N 3.49Å |
| 310 | K | 88.3 | Confident | 84.8 | Confident | 141 Ų | 141 | 69.1 Ų | 69.1 | 61% | 0.613 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 137 | 175.1 | -71.9 | -171.8 | 175.5 | -170 | 0 | 110.4 | G301 F302 Y303 | G301-K310 CarbonylContact O-C 3.57Å; G301-K310 WeakPolarHBondContact O-CA 3.48Å; F302-K310 HydrophobicContact CD1-CG 4.18Å; F302-K310 HydrophobicContact CE1-CG 3.74Å; F302-K310 HydrophobicContact CZ-CG 4.29Å; Y303-K310 VanDerWaalsContact CE1-O 3.28Å; Y303-K310 WeakPolarHBondContact CE1-O 3.43Å |
| 311 | C | 87.8 | Confident | 85 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 139.5 | 170.4 | -70.4 | 0 | 0 | 0 | 0 | 110.3 | G301 C320 | G301-C311 VanDerWaalsContact CA-SG 3.57Å; G301-C311 PolarHBondContact O-N 2.86Å; C311-C320 VanDerWaalsContact CA-SG 3.54Å; C311-C320 HydrophobicContact CB-CB 3.78Å; C311-C320 WeakPolarHBondContact CB-SG 3.34Å; C311-C320 WeakPolarHBondContact SG-CB 3.26Å; C311-C320 PolarHBondContact SG-N 2.86Å; C311-C320 VanDerWaalsContact SG-N 3.42Å; C311-C320 CovalentContact SG-SG 2.04Å; C311-C320 PolarHBondContact SG-SG 2.9Å |
| 312 | P | 85.4 | Confident | 85.1 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | trans | -78 | -166.4 | 174.3 | 35.1 | -35.7 | 0 | 0 | 0 | 110.8 | C314 R338 E340 | P312-C314 PolarHBondContact O-N 3.19Å; P312-R338 WeakPolarHBondContact CB-O 3Å; P312-R338 HydrophobicContact CG-CB 4.14Å; P312-R338 WeakPolarHBondContact CG-O 3.26Å; P312-E340 HydrophobicContact CB-CG 4.16Å | ||
| 313 | R | 83.8 | Confident | 85 | Confident | 92 Ų | 92 | 69.9 Ų | 69.9 | 35% | 0.347 | 34% | 0.34 | S | S | . | . | trans | -74.7 | 65.1 | -173.4 | -63.9 | -169.7 | -166.1 | 176.9 | 11.5 | 113.8 | D331 W334 C339 H498 | R313-D331 HydrophobicContact CB-CB 4.4Å; R313-D331 PolarHBondContact O-N 3.35Å; R313-D331 VanDerWaalsContact O-N 3.08Å; R313-W334 VanDerWaalsContact NH1-CZ2 3.33Å; R313-C339 VanDerWaalsContact O-CB 3.31Å; R313-C339 WeakPolarHBondContact O-CB 3.19Å; R313-H498 PolarHBondContact NH2-CD2 2.87Å; R313-H498 PolarHBondContact NH2-CE1 2.85Å; R313-H498 PolarHBondContact NH2-NE2 2.95Å | ||
| 314 | C | 85.4 | Confident | 84.9 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.02 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -67.7 | 140.2 | 165.9 | -52.8 | 0 | 0 | 0 | 0 | 109.8 | P312 N316 S317 E318 C327 R329 | P312-C314 PolarHBondContact O-N 3.19Å; C314-N316 PolarHBondContact O-N 3.46Å; C314-S317 PolarHBondContact O-N 3.34Å; C314-E318 WeakPolarHBondContact CB-O 3.44Å; C314-C327 WeakPolarHBondContact CA-SG 3.3Å; C314-C327 HydrophobicContact CB-CB 3.74Å; C314-C327 WeakPolarHBondContact CB-SG 3.22Å; C314-C327 PolarHBondContact N-SG 3.01Å; C314-C327 VanDerWaalsContact N-SG 3.42Å; C314-C327 WeakPolarHBondContact SG-CB 3Å; C314-C327 CovalentContact SG-SG 2.04Å; C314-C327 PolarHBondContact SG-SG 2.03Å; C314-R329 WeakPolarHBondContact CA-O 3.23Å |
| 315 | W | 83.4 | Confident | 84.9 | Confident | 55 Ų | 55 | 72 Ų | 72 | 21% | 0.208 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -43.8 | 131.8 | 178.5 | -179.7 | -86.6 | 0 | 0 | 0 | 112.1 | S317 E318 R329 D331 P332 D350 | W315-S317 PolarHBondContact O-N 2.88Å; W315-E318 VanDerWaalsContact O-CB 3.25Å; W315-E318 WeakPolarHBondContact O-CB 3.2Å; W315-E318 WeakPolarHBondContact O-CG 3.04Å; W315-E318 PolarHBondContact O-N 3.26Å; W315-R329 HydrophobicContact CB-CB 3.88Å; W315-R329 HydrophobicContact CB-CG 4.02Å; W315-R329 HydrophobicContact CD2-CG 4.38Å; W315-R329 HydrophobicContact CE3-CG 4.18Å; W315-R329 HydrophobicContact CG-CG 4.32Å; W315-R329 PolarHBondContact N-O 3.49Å; W315-D331 WeakPolarHBondContact CA-OD1 3.45Å; W315-P332 HydrophobicContact CH2-CG 4.45Å; W315-P332 HydrophobicContact CZ3-CG 3.82Å; W315-D350 HydrophobicContact CZ3-CB 4.42Å |
| 316 | N | 77.5 | Confident | 84.9 | Confident | 121 Ų | 121 | 72.1 Ų | 72.1 | 65% | 0.647 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | 54.8 | 21.5 | 179.1 | -76.1 | -13.7 | 0 | 0 | 0 | 115.3 | C314 E318 D331 | C314-N316 PolarHBondContact O-N 3.46Å; N316-E318 PolarHBondContact O-N 2.89Å; N316-D331 PolarHBondContact N-OD1 3.16Å |
| 317 | S | 74.7 | Confident | 85.1 | Confident | 113 Ų | 113 | 69.3 Ų | 69.3 | 79% | 0.79 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | 59.5 | 31.2 | -170.1 | -52.6 | 0 | 0 | 0 | 0 | 114.1 | C314 W315 | C314-S317 PolarHBondContact O-N 3.34Å; W315-S317 PolarHBondContact O-N 2.88Å |
| 318 | E | 74.6 | Confident | 84.8 | Confident | 90 Ų | 90 | 79.9 Ų | 79.9 | 42% | 0.421 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 158.6 | 173.1 | -77.8 | 169.8 | -157.9 | 0 | 0 | 112.7 | C314 W315 N316 C320 | C314-E318 WeakPolarHBondContact CB-O 3.44Å; W315-E318 VanDerWaalsContact O-CB 3.25Å; W315-E318 WeakPolarHBondContact O-CB 3.2Å; W315-E318 WeakPolarHBondContact O-CG 3.04Å; W315-E318 PolarHBondContact O-N 3.26Å; N316-E318 PolarHBondContact O-N 2.89Å; E318-C320 PolarHBondContact O-N 3.48Å |
| 319 | R | 79.6 | Confident | 84.6 | Confident | 182 Ų | 182 | 78.1 Ų | 78.1 | 69% | 0.687 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -67 | 120.8 | 178.5 | -61.5 | -179.7 | -174.6 | 121.6 | 4.4 | 110.2 | S300 | S300-R319 PolarHBondContact OG-NE 2.91Š|
| 320 | C | 86.9 | Confident | 84.5 | Confident | 6 Ų | 6 | 75.5 Ų | 75.5 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 160.8 | 162 | 69.5 | 0 | 0 | 0 | 0 | 111 | C311 E318 P322 K326 | C311-C320 VanDerWaalsContact CA-SG 3.54Å; C311-C320 HydrophobicContact CB-CB 3.78Å; C311-C320 WeakPolarHBondContact CB-SG 3.34Å; C311-C320 WeakPolarHBondContact SG-CB 3.26Å; C311-C320 PolarHBondContact SG-N 2.86Å; C311-C320 VanDerWaalsContact SG-N 3.42Å; C311-C320 CovalentContact SG-SG 2.04Å; C311-C320 PolarHBondContact SG-SG 2.9Å; E318-C320 PolarHBondContact O-N 3.48Å; C320-P322 WeakPolarHBondContact O-CD 3.38Å; C320-K326 CarbonylContact C-O 3.59Å; C320-K326 WeakPolarHBondContact CA-O 3.02Å |
| 321 | D | 88.9 | Confident | 84.5 | Confident | 54 Ų | 54 | 70.9 Ų | 70.9 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 118.7 | 169.1 | 168.5 | 8.1 | 0 | 0 | 0 | 109.4 | K323 T324 G325 K326 | D321-K323 PolarHBondContact O-N 3.44Å; D321-K323 VanDerWaalsContact O-N 3.17Å; D321-K323 WeakPolarHBondContact OD1-CB 3.28Å; D321-K323 PolarHBondContact OD1-N 3.47Å; D321-T324 VanDerWaalsContact CG-OG1 3.3Å; D321-T324 PolarHBondContact O-N 2.87Å; D321-T324 WeakPolarHBondContact OD2-CB 3.31Å; D321-T324 VanDerWaalsContact OD2-CG2 3.27Å; D321-T324 WeakPolarHBondContact OD2-CG2 3.38Å; D321-T324 PolarHBondContact OD2-N 3.26Å; D321-T324 PolarHBondContact OD2-OG1 2.03Å; D321-G325 WeakPolarHBondContact O-CA 3.34Å; D321-G325 PolarHBondContact O-N 3.16Å; D321-K326 HydrophobicContact CB-CB 4.31Å; D321-K326 PolarHBondContact N-O 3.22Å |
| 322 | P | 86.7 | Confident | 84.5 | Confident | 46 Ų | 46 | 71.9 Ų | 71.9 | 30% | 0.299 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.2 | -176.1 | 28.8 | -36.9 | 0 | 0 | 0 | 112.6 | G288 C298 Y303 G304 C320 | G288-P322 VanDerWaalsContact CA-C 3.43Å; G288-P322 WeakPolarHBondContact CA-O 3.19Å; G288-P322 PolarHBondContact N-O 2.99Å; C298-P322 HydrophobicContact CB-CB 3.91Å; Y303-P322 CarbonylContact C-O 3.48Å; Y303-P322 VanDerWaalsContact CA-O 3.31Å; Y303-P322 WeakPolarHBondContact CA-O 3.48Å; Y303-P322 VanDerWaalsContact CB-O 3.3Å; Y303-P322 WeakPolarHBondContact CB-O 3.38Å; G304-P322 PolarHBondContact N-O 2.57Å; C320-P322 WeakPolarHBondContact O-CD 3.38Å |
| 323 | K | 87.6 | Confident | 84.5 | Confident | 98 Ų | 98 | 70.7 Ų | 70.7 | 43% | 0.426 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -39.5 | 177.6 | -62 | -133.9 | 169.9 | -163.7 | 0 | 112.8 | E286 P287 D321 | E286-K323 IonicContact OE2-NZ 2.91Å; E286-K323 PolarHBondContact OE2-NZ 3.43Å; P287-K323 WeakPolarHBondContact O-CD 3.36Å; P287-K323 WeakPolarHBondContact O-CE 3.47Å; P287-K323 VanDerWaalsContact O-CG 3.31Å; P287-K323 WeakPolarHBondContact O-CG 3.13Å; D321-K323 PolarHBondContact O-N 3.44Å; D321-K323 VanDerWaalsContact O-N 3.17Å; D321-K323 WeakPolarHBondContact OD1-CB 3.28Å; D321-K323 PolarHBondContact OD1-N 3.47Å |
| 324 | T | 86.9 | Confident | 84.7 | Confident | 76 Ų | 76 | 68.4 Ų | 68.4 | 47% | 0.466 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -12.1 | -169.4 | 70.2 | 0 | 0 | 0 | 0 | 115.7 | D321 K326 | D321-T324 VanDerWaalsContact CG-OG1 3.3Å; D321-T324 PolarHBondContact O-N 2.87Å; D321-T324 WeakPolarHBondContact OD2-CB 3.31Å; D321-T324 VanDerWaalsContact OD2-CG2 3.27Å; D321-T324 WeakPolarHBondContact OD2-CG2 3.38Å; D321-T324 PolarHBondContact OD2-N 3.26Å; D321-T324 PolarHBondContact OD2-OG1 2.03Å; T324-K326 PolarHBondContact O-N 2.9Å; T324-K326 VanDerWaalsContact OG1-CB 3.29Å; T324-K326 WeakPolarHBondContact OG1-CB 3.31Å; T324-K326 PolarHBondContact OG1-N 3.23Å |
| 325 | G | 87 | Confident | 84.7 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | 72.4 | 6.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y303 D321 | Y303-G325 VanDerWaalsContact CD2-CA 3.44Å; D321-G325 WeakPolarHBondContact O-CA 3.34Å; D321-G325 PolarHBondContact O-N 3.16Å | ||
| 326 | K | 88.3 | Confident | 84.8 | Confident | 93 Ų | 93 | 69.5 Ų | 69.5 | 40% | 0.404 | 35% | 0.346 | S | S | . | . | trans | -66.4 | 134.5 | 179.1 | 177.2 | 165 | -178.5 | 162.9 | 0 | 111.5 | C320 D321 T324 N337 | C320-K326 CarbonylContact C-O 3.59Å; C320-K326 WeakPolarHBondContact CA-O 3.02Å; D321-K326 HydrophobicContact CB-CB 4.31Å; D321-K326 PolarHBondContact N-O 3.22Å; T324-K326 PolarHBondContact O-N 2.9Å; T324-K326 VanDerWaalsContact OG1-CB 3.29Å; T324-K326 WeakPolarHBondContact OG1-CB 3.31Å; T324-K326 PolarHBondContact OG1-N 3.23Å; K326-N337 WeakPolarHBondContact CA-O 3.48Å; K326-N337 HydrophobicContact CD-CB 4.42Å; K326-N337 WeakPolarHBondContact CE-OD1 3.26Å; K326-N337 WeakPolarHBondContact CG-O 3.35Å; K326-N337 PolarHBondContact NZ-OD1 3.43Å | ||
| 327 | C | 87.9 | Confident | 85 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 5% | 0.054 | 34% | 0.342 | C | S | . | . | trans | -89.7 | 151.8 | 169.5 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | C314 N337 C339 | C314-C327 WeakPolarHBondContact CA-SG 3.3Å; C314-C327 HydrophobicContact CB-CB 3.74Å; C314-C327 WeakPolarHBondContact CB-SG 3.22Å; C314-C327 PolarHBondContact N-SG 3.01Å; C314-C327 VanDerWaalsContact N-SG 3.42Å; C314-C327 WeakPolarHBondContact SG-CB 3Å; C314-C327 CovalentContact SG-SG 2.04Å; C314-C327 PolarHBondContact SG-SG 2.03Å; C327-N337 PolarHBondContact N-O 2.04Å; C327-N337 VanDerWaalsContact N-O 3.16Å; C327-C339 WeakPolarHBondContact CB-SG 3.04Å | ||
| 328 | W | 82.5 | Confident | 85.4 | Confident | 231 Ų | 231 | 67 Ų | 67 | 88% | 0.875 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -76.6 | -34.7 | 168.8 | -70.2 | 101.3 | 0 | 0 | 0 | 112.5 | ||
| 329 | R | 84.3 | Confident | 86 | Confident | 106 Ų | 106 | 62.9 Ų | 62.9 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -145.7 | 147.7 | 174.7 | -170.9 | -177.1 | -173 | 179 | 8.8 | 109.5 | C314 W315 D350 | C314-R329 WeakPolarHBondContact CA-O 3.23Å; W315-R329 HydrophobicContact CB-CB 3.88Å; W315-R329 HydrophobicContact CB-CG 4.02Å; W315-R329 HydrophobicContact CD2-CG 4.38Å; W315-R329 HydrophobicContact CE3-CG 4.18Å; W315-R329 HydrophobicContact CG-CG 4.32Å; W315-R329 PolarHBondContact N-O 3.49Å; R329-D350 IonicContact CZ-OD1 3.15Å; R329-D350 IonicContact CZ-OD2 2.92Å; R329-D350 IonicContact NE-OD1 2.69Å; R329-D350 PolarHBondContact NE-OD1 3.47Å; R329-D350 IonicContact NE-OD2 2.62Å; R329-D350 IonicContact NH2-OD1 2.78Å; R329-D350 PolarHBondContact NH2-OD1 2.93Å; R329-D350 IonicContact NH2-OD2 3.37Å; R329-D350 PolarHBondContact NH2-OD2 2.93Å |
| 330 | C | 87.6 | Confident | 86.4 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 13% | 0.128 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -95.8 | 153.2 | 176.5 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | W334 C339 | C330-W334 HydrophobicContact CB-CB 4.1Å; C330-W334 WeakPolarHBondContact CB-O 3.21Å; C330-C339 WeakPolarHBondContact CA-SG 3.16Å; C330-C339 HydrophobicContact CB-CB 3.56Å; C330-C339 WeakPolarHBondContact CB-SG 3.16Å; C330-C339 WeakPolarHBondContact SG-CA 3.43Å; C330-C339 WeakPolarHBondContact SG-CB 3.13Å; C330-C339 CovalentContact SG-SG 2.03Å; C330-C339 PolarHBondContact SG-SG 3Å |
| 331 | D | 87.4 | Confident | 86.4 | Confident | 45 Ų | 45 | 64.9 Ų | 64.9 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 152.2 | 167 | -78.3 | -32.6 | 0 | 0 | 0 | 111.9 | R313 W315 N316 G333 W334 | R313-D331 HydrophobicContact CB-CB 4.4Å; R313-D331 PolarHBondContact O-N 3.35Å; R313-D331 VanDerWaalsContact O-N 3.08Å; W315-D331 WeakPolarHBondContact CA-OD1 3.45Å; N316-D331 PolarHBondContact N-OD1 3.16Å; D331-G333 PolarHBondContact O-N 3.35Å; D331-W334 WeakPolarHBondContact O-CB 3.4Å; D331-W334 PolarHBondContact O-N 2.81Å |
| 332 | P | 87.4 | Confident | 86.4 | Confident | 47 Ų | 47 | 65.7 Ų | 65.7 | 31% | 0.305 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 130.9 | 178.5 | -27.3 | 34.7 | 0 | 0 | 0 | 113.3 | W315 | W315-P332 HydrophobicContact CH2-CG 4.45Å; W315-P332 HydrophobicContact CZ3-CG 3.82Å |
| 333 | G | 86.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 1.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D331 P342 C343 G349 H366 | D331-G333 PolarHBondContact O-N 3.35Å; G333-P342 WeakPolarHBondContact O-CA 3.41Å; G333-C343 WeakPolarHBondContact CA-SG 3.43Å; G333-C343 PolarHBondContact O-N 2.87Å; G333-C343 PolarHBondContact O-SG 2.78Å; G333-G349 PolarHBondContact N-O 3.05Å; G333-H366 WeakPolarHBondContact CA-O 3.36Å; G333-H366 PolarHBondContact O-ND1 2.82Å |
| 334 | W | 87.9 | Confident | 86.1 | Confident | 43 Ų | 43 | 63.6 Ų | 63.6 | 16% | 0.163 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 153.5 | 177.9 | -59 | 87.9 | 0 | 0 | 0 | 112.1 | R313 C330 D331 C339 E340 E341 H366 | R313-W334 VanDerWaalsContact NH1-CZ2 3.33Å; C330-W334 HydrophobicContact CB-CB 4.1Å; C330-W334 WeakPolarHBondContact CB-O 3.21Å; D331-W334 WeakPolarHBondContact O-CB 3.4Å; D331-W334 PolarHBondContact O-N 2.81Å; W334-C339 HydrophobicContact CB-CB 4.49Å; W334-E340 WeakPolarHBondContact CZ3-O 3.21Å; W334-E341 CarbonylContact C-O 3.57Å; W334-E341 WeakPolarHBondContact CA-O 3.33Å; W334-H366 AromaticContact CE2-CE1 3.78Å; W334-H366 AromaticContact CZ2-CE1 3.66Å |
| 335 | T | 85.6 | Confident | 85.4 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | -177.5 | -174 | -165.5 | 0 | 0 | 0 | 0 | 112.2 | C339 E341 | T335-C339 VanDerWaalsContact O-CA 3.23Å; T335-C339 WeakPolarHBondContact O-CA 3.03Å; T335-C339 PolarHBondContact O-N 2.87Å; T335-E341 HydrophobicContact CG2-CB 3.91Å; T335-E341 PolarHBondContact N-O 3.13Å; T335-E341 PolarHBondContact O-N 3.42Å |
| 336 | G | 85.3 | Confident | 85 | Confident | 29 Ų | 29 | 66 Ų | 66 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 79.4 | 162.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R338 C339 | G336-R338 PolarHBondContact O-N 3.45Å; G336-C339 PolarHBondContact O-N 2.98Å; G336-C339 VanDerWaalsContact O-N 3.08Å |
| 337 | N | 82 | Confident | 85 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 57% | 0.572 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -26 | -175.4 | -73.8 | -69.5 | 0 | 0 | 0 | 114.1 | K326 C327 | K326-N337 WeakPolarHBondContact CA-O 3.48Å; K326-N337 HydrophobicContact CD-CB 4.42Å; K326-N337 WeakPolarHBondContact CE-OD1 3.26Å; K326-N337 WeakPolarHBondContact CG-O 3.35Å; K326-N337 PolarHBondContact NZ-OD1 3.43Å; C327-N337 PolarHBondContact N-O 2.04Å; C327-N337 VanDerWaalsContact N-O 3.16Å |
| 338 | R | 83.7 | Confident | 85 | Confident | 74 Ų | 74 | 66 Ų | 66 | 28% | 0.279 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 13.4 | -179.1 | -72.6 | -179.8 | 57.6 | -88.3 | -11 | 113 | Y303 P312 G336 E340 | Y303-R338 PolarHBondContact OH-NE 3.34Å; Y303-R338 PolarHBondContact OH-NH2 2.04Å; P312-R338 WeakPolarHBondContact CB-O 3Å; P312-R338 HydrophobicContact CG-CB 4.14Å; P312-R338 WeakPolarHBondContact CG-O 3.26Å; G336-R338 PolarHBondContact O-N 3.45Å; R338-E340 IonicContact CZ-OE1 2.83Å; R338-E340 VanDerWaalsContact CZ-OE1 3.3Å; R338-E340 IonicContact CZ-OE2 2.7Å; R338-E340 IonicContact NH1-OE1 3.22Å; R338-E340 PolarHBondContact NH1-OE1 2.82Å; R338-E340 VanDerWaalsContact NH1-OE1 3.13Å; R338-E340 IonicContact NH1-OE2 2.89Å; R338-E340 PolarHBondContact NH1-OE2 3.15Å; R338-E340 IonicContact NH2-OE1 2.67Å; R338-E340 PolarHBondContact NH2-OE1 3.17Å; R338-E340 IonicContact NH2-OE2 2.77Å; R338-E340 PolarHBondContact O-N 2.89Å |
| 339 | C | 87.3 | Confident | 85.1 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 55.7 | 27.1 | 171.6 | -50.3 | 0 | 0 | 0 | 0 | 115.6 | R313 C327 C330 W334 T335 G336 | R313-C339 VanDerWaalsContact O-CB 3.31Å; R313-C339 WeakPolarHBondContact O-CB 3.19Å; C327-C339 WeakPolarHBondContact CB-SG 3.04Å; C330-C339 WeakPolarHBondContact CA-SG 3.16Å; C330-C339 HydrophobicContact CB-CB 3.56Å; C330-C339 WeakPolarHBondContact CB-SG 3.16Å; C330-C339 WeakPolarHBondContact SG-CA 3.43Å; C330-C339 WeakPolarHBondContact SG-CB 3.13Å; C330-C339 CovalentContact SG-SG 2.03Å; C330-C339 PolarHBondContact SG-SG 3Å; W334-C339 HydrophobicContact CB-CB 4.49Å; T335-C339 VanDerWaalsContact O-CA 3.23Å; T335-C339 WeakPolarHBondContact O-CA 3.03Å; T335-C339 PolarHBondContact O-N 2.87Å; G336-C339 PolarHBondContact O-N 2.98Å; G336-C339 VanDerWaalsContact O-N 3.08Å |
| 340 | E | 87.2 | Confident | 85.2 | Confident | 110 Ų | 110 | 51.8 Ų | 51.8 | 51% | 0.514 | 31% | 0.313 | S | S | . | . | trans | -98.7 | -14.3 | 178.2 | -75.2 | 174.8 | 171.5 | 0 | 0 | 112.5 | P312 W334 R338 | P312-E340 HydrophobicContact CB-CG 4.16Å; W334-E340 WeakPolarHBondContact CZ3-O 3.21Å; R338-E340 IonicContact CZ-OE1 2.83Å; R338-E340 VanDerWaalsContact CZ-OE1 3.3Å; R338-E340 IonicContact CZ-OE2 2.7Å; R338-E340 IonicContact NH1-OE1 3.22Å; R338-E340 PolarHBondContact NH1-OE1 2.82Å; R338-E340 VanDerWaalsContact NH1-OE1 3.13Å; R338-E340 IonicContact NH1-OE2 2.89Å; R338-E340 PolarHBondContact NH1-OE2 3.15Å; R338-E340 IonicContact NH2-OE1 2.67Å; R338-E340 PolarHBondContact NH2-OE1 3.17Å; R338-E340 IonicContact NH2-OE2 2.77Å; R338-E340 PolarHBondContact O-N 2.89Å | ||
| 341 | E | 87.3 | Confident | 84.8 | Confident | 120 Ų | 120 | 53.6 Ų | 53.6 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.9 | 178.5 | -63.5 | 173.6 | 174.9 | 0 | 0 | 109.1 | W334 T335 | W334-E341 CarbonylContact C-O 3.57Å; W334-E341 WeakPolarHBondContact CA-O 3.33Å; T335-E341 HydrophobicContact CG2-CB 3.91Å; T335-E341 PolarHBondContact N-O 3.13Å; T335-E341 PolarHBondContact O-N 3.42Å |
| 342 | P | 87.6 | Confident | 84.8 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 155.1 | 170.1 | 31.2 | -34.5 | 0 | 0 | 0 | 110.5 | G333 S344 H366 | G333-P342 WeakPolarHBondContact O-CA 3.41Å; P342-S344 PolarHBondContact O-N 3.44Å; P342-H366 HydrophobicContact CB-CB 4.4Å |
| 343 | C | 87.6 | Confident | 84.8 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 8% | 0.081 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 137.7 | 174.8 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | G333 T347 C352 H366 | G333-C343 WeakPolarHBondContact CA-SG 3.43Å; G333-C343 PolarHBondContact O-N 2.87Å; G333-C343 PolarHBondContact O-SG 2.78Å; C343-T347 WeakPolarHBondContact CB-O 3.3Å; C343-C352 WeakPolarHBondContact CA-SG 3.36Å; C343-C352 HydrophobicContact CB-CB 3.75Å; C343-C352 WeakPolarHBondContact CB-SG 3.36Å; C343-C352 WeakPolarHBondContact SG-CA 3.36Å; C343-C352 WeakPolarHBondContact SG-CB 3.38Å; C343-C352 CovalentContact SG-SG 2.03Å; C343-C352 PolarHBondContact SG-SG 2.86Å; C343-H366 HydrophobicContact CB-CB 4.1Å |
| 344 | S | 82.1 | Confident | 84.8 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 61% | 0.608 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 148.8 | -175.7 | 52.4 | 0 | 0 | 0 | 0 | 111.9 | P342 G346 T347 | P342-S344 PolarHBondContact O-N 3.44Å; S344-G346 PolarHBondContact O-N 3.14Å; S344-T347 PolarHBondContact O-N 3.09Å; S344-T347 PolarHBondContact O-OG1 3.4Å |
| 345 | G | 72.3 | Confident | 84.8 | Confident | 92 Ų | 92 | 69.2 Ų | 69.2 | 95% | 0.948 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 110.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 346 | G | 78.2 | Confident | 84.9 | Confident | 36 Ų | 36 | 67.9 Ų | 67.9 | 37% | 0.371 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114 | -3.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S344 C356 | S344-G346 PolarHBondContact O-N 3.14Å; G346-C356 PolarHBondContact O-N 3.28Å |
| 347 | T | 86.9 | Confident | 84.8 | Confident | 32 Ų | 32 | 70 Ų | 70 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 153.4 | 175.8 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | C343 S344 C352 F354 | C343-T347 WeakPolarHBondContact CB-O 3.3Å; S344-T347 PolarHBondContact O-N 3.09Å; S344-T347 PolarHBondContact O-OG1 3.4Å; T347-C352 WeakPolarHBondContact CB-O 3.38Å; T347-F354 CarbonylContact C-O 3.57Å; T347-F354 VanDerWaalsContact CA-O 3.29Å; T347-F354 WeakPolarHBondContact CA-O 3.37Å |
| 348 | Y | 89.1 | Confident | 85 | Confident | 68 Ų | 68 | 69.3 Ų | 69.3 | 27% | 0.267 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 170.6 | 178.8 | 76.6 | -87.6 | 0 | 0 | 0 | 113.8 | C352 F354 L355 H366 G369 | Y348-C352 CarbonylContact O-C 3.56Å; Y348-F354 HydrophobicContact CD1-CB 3.78Å; Y348-F354 VanDerWaalsContact CD1-O 3.31Å; Y348-F354 WeakPolarHBondContact CD1-O 3.06Å; Y348-F354 HydrophobicContact CD2-CB 4.1Å; Y348-F354 HydrophobicContact CE1-CB 3.55Å; Y348-F354 HydrophobicContact CE2-CB 3.87Å; Y348-F354 HydrophobicContact CE2-CG 4.36Å; Y348-F354 HydrophobicContact CG-CB 4.06Å; Y348-F354 PolarHBondContact N-O 2.94Å; Y348-F354 PolarHBondContact O-N 3.01Å; Y348-L355 WeakPolarHBondContact CE1-O 3.05Å; Y348-H366 CarbonylContact C-O 3.45Å; Y348-H366 WeakPolarHBondContact CA-O 3.33Å; Y348-H366 WeakPolarHBondContact CB-O 3.47Å; Y348-G369 VanDerWaalsContact CD1-CA 3.44Å; Y348-G369 VanDerWaalsContact CD2-CA 3.45Å; Y348-G369 VanDerWaalsContact CD2-N 3.33Å |
| 349 | G | 84.2 | Confident | 85.1 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 6% | 0.062 | 40% | 0.397 | C | S | . | . | S | Bend | trans | 75.9 | -160.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115 | G333 A351 C352 H366 | G333-G349 PolarHBondContact N-O 3.05Å; G349-A351 PolarHBondContact O-N 3.38Å; G349-C352 PolarHBondContact O-N 2.02Å; G349-C352 VanDerWaalsContact O-N 3.17Å; G349-H366 PolarHBondContact N-O 3.23Å |
| 350 | D | 85.7 | Confident | 85 | Confident | 32 Ų | 32 | 73.3 Ų | 73.3 | 17% | 0.171 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -57.2 | 127.6 | -177.9 | 175.4 | 50.4 | 0 | 0 | 0 | 112.1 | W315 R329 C352 R353 | W315-D350 HydrophobicContact CZ3-CB 4.42Å; R329-D350 IonicContact CZ-OD1 3.15Å; R329-D350 IonicContact CZ-OD2 2.92Å; R329-D350 IonicContact NE-OD1 2.69Å; R329-D350 PolarHBondContact NE-OD1 3.47Å; R329-D350 IonicContact NE-OD2 2.62Å; R329-D350 IonicContact NH2-OD1 2.78Å; R329-D350 PolarHBondContact NH2-OD1 2.93Å; R329-D350 IonicContact NH2-OD2 3.37Å; R329-D350 PolarHBondContact NH2-OD2 2.93Å; D350-C352 PolarHBondContact O-N 3.18Å; D350-R353 WeakPolarHBondContact O-CB 3.31Å; D350-R353 PolarHBondContact O-N 2.91Å |
| 351 | A | 80.5 | Confident | 84.9 | Confident | 58 Ų | 58 | 71.7 Ų | 71.7 | 48% | 0.479 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | 46.4 | 28.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G349 R353 | G349-A351 PolarHBondContact O-N 3.38Å; A351-R353 HydrophobicContact CB-CG 4.13Å; A351-R353 PolarHBondContact O-N 3.06Å |
| 352 | C | 86.7 | Confident | 84.9 | Confident | 20 Ų | 20 | 66.5 Ų | 66.5 | 14% | 0.135 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | 54.4 | 29.2 | -176 | -49.1 | 0 | 0 | 0 | 0 | 114.5 | C343 T347 Y348 G349 D350 | C343-C352 WeakPolarHBondContact CA-SG 3.36Å; C343-C352 HydrophobicContact CB-CB 3.75Å; C343-C352 WeakPolarHBondContact CB-SG 3.36Å; C343-C352 WeakPolarHBondContact SG-CA 3.36Å; C343-C352 WeakPolarHBondContact SG-CB 3.38Å; C343-C352 CovalentContact SG-SG 2.03Å; C343-C352 PolarHBondContact SG-SG 2.86Å; T347-C352 WeakPolarHBondContact CB-O 3.38Å; Y348-C352 CarbonylContact O-C 3.56Å; G349-C352 PolarHBondContact O-N 2.02Å; G349-C352 VanDerWaalsContact O-N 3.17Å; D350-C352 PolarHBondContact O-N 3.18Å |
| 353 | R | 87.3 | Confident | 84.8 | Confident | 190 Ų | 190 | 69 Ų | 69 | 72% | 0.717 | 40% | 0.403 | S | S | * | . | trans | -77.6 | -19.2 | -171.9 | -74.6 | 176 | 161.9 | -172.1 | -6.9 | 115 | D350 A351 | D350-R353 WeakPolarHBondContact O-CB 3.31Å; D350-R353 PolarHBondContact O-N 2.91Å; A351-R353 HydrophobicContact CB-CG 4.13Å; A351-R353 PolarHBondContact O-N 3.06Å | ||
| 354 | F | 87.1 | Confident | 84.9 | Confident | 109 Ų | 109 | 69.9 Ų | 69.9 | 48% | 0.478 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 130.5 | -175.3 | -56.1 | -83.2 | 0 | 0 | 0 | 110.4 | T347 Y348 | T347-F354 CarbonylContact C-O 3.57Å; T347-F354 VanDerWaalsContact CA-O 3.29Å; T347-F354 WeakPolarHBondContact CA-O 3.37Å; Y348-F354 HydrophobicContact CD1-CB 3.78Å; Y348-F354 VanDerWaalsContact CD1-O 3.31Å; Y348-F354 WeakPolarHBondContact CD1-O 3.06Å; Y348-F354 HydrophobicContact CD2-CB 4.1Å; Y348-F354 HydrophobicContact CE1-CB 3.55Å; Y348-F354 HydrophobicContact CE2-CB 3.87Å; Y348-F354 HydrophobicContact CE2-CG 4.36Å; Y348-F354 HydrophobicContact CG-CB 4.06Å; Y348-F354 PolarHBondContact N-O 2.94Å; Y348-F354 PolarHBondContact O-N 3.01Å |
| 355 | L | 87.8 | Confident | 85.1 | Confident | 143 Ų | 143 | 69.1 Ų | 69.1 | 75% | 0.749 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 133 | 175.9 | -80.9 | 72.8 | 0 | 0 | 0 | 110.3 | Y348 | Y348-L355 WeakPolarHBondContact CE1-O 3.05Å |
| 356 | C | 86.6 | Confident | 85.8 | Confident | 25 Ų | 25 | 67 Ų | 67 | 17% | 0.169 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 146.3 | 174.7 | -64.1 | 0 | 0 | 0 | 0 | 112.1 | G346 C364 | G346-C356 PolarHBondContact O-N 3.28Å; C356-C364 HydrophobicContact CB-CB 3.53Å; C356-C364 WeakPolarHBondContact CB-SG 3.42Å; C356-C364 WeakPolarHBondContact SG-CB 3.45Å; C356-C364 CovalentContact SG-SG 2.02Å; C356-C364 PolarHBondContact SG-SG 3.39Å |
| 357 | S | 84.4 | Confident | 86.3 | Confident | 75 Ų | 75 | 67.9 Ų | 67.9 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 152.5 | 162.9 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | C359 | S357-C359 PolarHBondContact O-N 3.48Š|
| 358 | P | 85 | Confident | 86.3 | Confident | 92 Ų | 92 | 69.8 Ų | 69.8 | 60% | 0.597 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 124 | 178.5 | 25.6 | -33.9 | 0 | 0 | 0 | 111.3 | S381 | P358-S381 WeakPolarHBondContact O-CB 3.48Š|
| 359 | C | 86.6 | Confident | 86.1 | Confident | 32 Ų | 32 | 67 Ų | 67 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 117.7 | 172.5 | -50.3 | 0 | 0 | 0 | 0 | 108.5 | S357 G362 C371 | S357-C359 PolarHBondContact O-N 3.48Å; C359-G362 VanDerWaalsContact CB-O 3.23Å; C359-G362 WeakPolarHBondContact CB-O 3.29Å; C359-C371 WeakPolarHBondContact CA-SG 3.37Å; C359-C371 HydrophobicContact CB-CB 3.76Å; C359-C371 WeakPolarHBondContact CB-SG 2.99Å; C359-C371 VanDerWaalsContact SG-CA 3.54Å; C359-C371 WeakPolarHBondContact SG-CB 3.44Å; C359-C371 CovalentContact SG-SG 2.03Å; C359-C371 PolarHBondContact SG-SG 2.9Å |
| 360 | F | 85 | Confident | 86.3 | Confident | 128 Ų | 128 | 76 Ų | 76 | 56% | 0.561 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -80.8 | -52.9 | -176.5 | -66.1 | -81.5 | 0 | 0 | 0 | 112.1 | S381 N383 | F360-S381 PolarHBondContact N-O 3.08Å; F360-N383 HydrophobicContact CD2-CB 4.03Å |
| 361 | H | 85.8 | Confident | 86.4 | Confident | 77 Ų | 77 | 75.4 Ų | 75.4 | 36% | 0.356 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -116.3 | 54.5 | 176.9 | -61 | -79.5 | 0 | 0 | 0 | 111.4 | Q374 F377 C382 | H361-Q374 WeakPolarHBondContact O-CG 3.48Å; H361-Q374 PolarHBondContact O-N 2.87Å; H361-F377 HydrophobicContact CB-CB 4.14Å; H361-F377 HydrophobicContact CB-CD1 3.74Å; H361-F377 HydrophobicContact CB-CD2 3.71Å; H361-F377 HydrophobicContact CB-CE1 4Å; H361-F377 HydrophobicContact CB-CE2 3.98Å; H361-F377 HydrophobicContact CB-CG 3.58Å; H361-F377 HydrophobicContact CB-CZ 4.12Å; H361-F377 AromaticContact CD2-CD1 3.7Å; H361-F377 AromaticContact CD2-CE1 3.4Å; H361-F377 WeakPolarHBondContact CD2-CE1 3.03Å; H361-F377 AromaticContact CD2-CZ 3.93Å; H361-F377 AromaticContact CG-CD1 3.76Å; H361-F377 AromaticContact CG-CE1 3.53Å; H361-F377 AromaticContact CG-CE2 3.99Å; H361-F377 AromaticContact CG-CZ 3.66Å; H361-F377 AromaticContact ND1-CZ 3.73Å; H361-F377 AromaticContact NE2-CE1 3.84Å; H361-C382 HydrophobicContact CB-CB 4.46Å; H361-C382 WeakPolarHBondContact CB-O 3.46Å; H361-C382 PolarHBondContact N-O 2.76Å |
| 362 | G | 85.6 | Confident | 86.7 | Confident | 11 Ų | 11 | 76.4 Ų | 76.4 | 11% | 0.113 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | 173.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C359 V372 | C359-G362 VanDerWaalsContact CB-O 3.23Å; C359-G362 WeakPolarHBondContact CB-O 3.29Å; G362-V372 CarbonylContact C-O 3.52Å; G362-V372 WeakPolarHBondContact CA-O 3.01Å |
| 363 | N | 87.1 | Confident | 86.8 | Confident | 123 Ų | 123 | 75.8 Ų | 75.8 | 66% | 0.658 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 145.6 | 175.5 | -71.8 | 13.5 | 0 | 0 | 0 | 110.2 | V372 | N363-V372 PolarHBondContact N-O 3.12Å; N363-V372 PolarHBondContact O-N 3.06Å |
| 364 | C | 88.2 | Confident | 86.8 | Confident | 32 Ų | 32 | 71.4 Ų | 71.4 | 22% | 0.216 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 138.6 | 171.3 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | C356 H366 G369 | C356-C364 HydrophobicContact CB-CB 3.53Å; C356-C364 WeakPolarHBondContact CB-SG 3.42Å; C356-C364 WeakPolarHBondContact SG-CB 3.45Å; C356-C364 CovalentContact SG-SG 2.02Å; C356-C364 PolarHBondContact SG-SG 3.39Å; C364-H366 PolarHBondContact O-N 3.41Å; C364-G369 PolarHBondContact SG-O 3.47Å |
| 365 | H | 88.1 | Confident | 86.8 | Confident | 71 Ų | 71 | 67.2 Ų | 67.2 | 33% | 0.329 | 36% | 0.36 | S | S | . | . | trans | -81.9 | 106.6 | 176.7 | -168.2 | -63.9 | 0 | 0 | 0 | 111.3 | V367 T368 G369 R370 V372 | H365-V367 PolarHBondContact ND1-N 3.38Å; H365-V367 PolarHBondContact O-N 2.82Å; H365-T368 WeakPolarHBondContact CB-OG1 3.36Å; H365-T368 PolarHBondContact ND1-OG1 3.47Å; H365-T368 PolarHBondContact O-N 3.46Å; H365-G369 PolarHBondContact O-N 2.86Å; H365-R370 VanDerWaalsContact CB-O 3.3Å; H365-R370 WeakPolarHBondContact CB-O 3.49Å; H365-R370 PolarHBondContact N-O 3.44Å; H365-V372 HydrophobicContact CB-CG2 4.01Å | ||
| 366 | H | 86.8 | Confident | 86.7 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 22% | 0.222 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -33.3 | -176.2 | 67.5 | 114 | 0 | 0 | 0 | 116.2 | G333 W334 P342 C343 Y348 G349 C364 | G333-H366 WeakPolarHBondContact CA-O 3.36Å; G333-H366 PolarHBondContact O-ND1 2.82Å; W334-H366 AromaticContact CE2-CE1 3.78Å; W334-H366 AromaticContact CZ2-CE1 3.66Å; P342-H366 HydrophobicContact CB-CB 4.4Å; C343-H366 HydrophobicContact CB-CB 4.1Å; Y348-H366 CarbonylContact C-O 3.45Å; Y348-H366 WeakPolarHBondContact CA-O 3.33Å; Y348-H366 WeakPolarHBondContact CB-O 3.47Å; G349-H366 PolarHBondContact N-O 3.23Å; C364-H366 PolarHBondContact O-N 3.41Å |
| 367 | V | 88.1 | Confident | 86.7 | Confident | 53 Ų | 53 | 61 Ų | 61 | 32% | 0.321 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -40.1 | 174.4 | -173 | 0 | 0 | 0 | 0 | 113.7 | H365 | H365-V367 PolarHBondContact ND1-N 3.38Å; H365-V367 PolarHBondContact O-N 2.82Å |
| 368 | T | 87.1 | Confident | 86.8 | Confident | 73 Ų | 73 | 60.4 Ų | 60.4 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | -6.5 | -160.9 | 61.6 | 0 | 0 | 0 | 0 | 115.2 | H365 R370 | H365-T368 WeakPolarHBondContact CB-OG1 3.36Å; H365-T368 PolarHBondContact ND1-OG1 3.47Å; H365-T368 PolarHBondContact O-N 3.46Å; T368-R370 PolarHBondContact O-N 2.57Å; T368-R370 VanDerWaalsContact O-N 3.12Å |
| 369 | G | 85.6 | Confident | 86.8 | Confident | 9 Ų | 9 | 58 Ų | 58 | 9% | 0.093 | 31% | 0.305 | C | S | . | . | trans | 74.4 | -7.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y348 C364 H365 | Y348-G369 VanDerWaalsContact CD1-CA 3.44Å; Y348-G369 VanDerWaalsContact CD2-CA 3.45Å; Y348-G369 VanDerWaalsContact CD2-N 3.33Å; C364-G369 PolarHBondContact SG-O 3.47Å; H365-G369 PolarHBondContact O-N 2.86Å | ||
| 370 | R | 87.3 | Confident | 86.7 | Confident | 196 Ų | 196 | 65.2 Ų | 65.2 | 74% | 0.74 | 34% | 0.335 | S | S | * | . | trans | -78.3 | 145.2 | -179.2 | -66.7 | -179.2 | 173.8 | 173 | -2.3 | 111.6 | H365 T368 | H365-R370 VanDerWaalsContact CB-O 3.3Å; H365-R370 WeakPolarHBondContact CB-O 3.49Å; H365-R370 PolarHBondContact N-O 3.44Å; T368-R370 PolarHBondContact O-N 2.57Å; T368-R370 VanDerWaalsContact O-N 3.12Å | ||
| 371 | C | 87.8 | Confident | 86.7 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 13% | 0.128 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 131.3 | 172.5 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | C359 E380 C382 | C359-C371 WeakPolarHBondContact CA-SG 3.37Å; C359-C371 HydrophobicContact CB-CB 3.76Å; C359-C371 WeakPolarHBondContact CB-SG 2.99Å; C359-C371 VanDerWaalsContact SG-CA 3.54Å; C359-C371 WeakPolarHBondContact SG-CB 3.44Å; C359-C371 CovalentContact SG-SG 2.03Å; C359-C371 PolarHBondContact SG-SG 2.9Å; C371-E380 VanDerWaalsContact CB-O 3.26Å; C371-E380 WeakPolarHBondContact CB-O 3.42Å; C371-E380 PolarHBondContact SG-O 3.45Å; C371-C382 VanDerWaalsContact CB-SG 3.51Å |
| 372 | V | 87.6 | Confident | 86.8 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 107.2 | 170 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | G362 N363 H365 | G362-V372 CarbonylContact C-O 3.52Å; G362-V372 WeakPolarHBondContact CA-O 3.01Å; N363-V372 PolarHBondContact N-O 3.12Å; N363-V372 PolarHBondContact O-N 3.06Å; H365-V372 HydrophobicContact CB-CG2 4.01Å |
| 373 | C | 88.3 | Confident | 87 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 149 | -172.8 | -53.6 | 0 | 0 | 0 | 0 | 113.1 | F377 C382 | C373-F377 HydrophobicContact CB-CB 4.28Å; C373-F377 WeakPolarHBondContact CB-O 3.42Å; C373-C382 WeakPolarHBondContact CA-SG 3.45Å; C373-C382 HydrophobicContact CB-CB 3.75Å; C373-C382 WeakPolarHBondContact CB-SG 3.02Å; C373-C382 PolarHBondContact N-SG 3.28Å; C373-C382 VanDerWaalsContact SG-CA 3.52Å; C373-C382 WeakPolarHBondContact SG-CB 3.33Å; C373-C382 CovalentContact SG-SG 2.04Å; C373-C382 PolarHBondContact SG-SG 2.79Å |
| 374 | Q | 88.1 | Confident | 86.9 | Confident | 98 Ų | 98 | 60.2 Ų | 60.2 | 46% | 0.458 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 154.4 | 166.1 | -64.2 | -178.5 | 5.1 | 0 | 0 | 109.8 | H361 G376 F377 | H361-Q374 WeakPolarHBondContact O-CG 3.48Å; H361-Q374 PolarHBondContact O-N 2.87Å; Q374-G376 PolarHBondContact O-N 2.99Å; Q374-F377 HydrophobicContact CB-CD2 4.38Å; Q374-F377 PolarHBondContact O-N 2.94Å; Q374-F377 VanDerWaalsContact O-N 3.15Å |
| 375 | P | 86.8 | Confident | 86.8 | Confident | 21 Ų | 21 | 62.4 Ų | 62.4 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 139.2 | 180 | -12.7 | 24.3 | 0 | 0 | 0 | 110.5 | G392 L393 V410 | P375-G392 WeakPolarHBondContact CA-O 3.32Å; P375-L393 HydrophobicContact CB-CD2 4.27Å; P375-L393 HydrophobicContact CB-CG 4.27Å; P375-L393 HydrophobicContact CG-CD2 3.75Å; P375-L393 HydrophobicContact CG-CG 4.01Å; P375-V410 HydrophobicContact CB-CG1 4.22Å |
| 376 | G | 84.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -1.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q374 T385 C386 G392 P409 | Q374-G376 PolarHBondContact O-N 2.99Å; G376-T385 CarbonylContact O-C 3.47Å; G376-T385 VanDerWaalsContact O-CA 3.32Å; G376-T385 WeakPolarHBondContact O-CA 3.32Å; G376-T385 WeakPolarHBondContact O-CG2 3.28Å; G376-C386 WeakPolarHBondContact CA-SG 3.25Å; G376-C386 PolarHBondContact O-N 2.8Å; G376-G392 PolarHBondContact N-O 3.04Å; G376-P409 WeakPolarHBondContact CA-O 3.47Å; G376-P409 PolarHBondContact N-O 3.11Å |
| 377 | F | 87.5 | Confident | 86.7 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 17% | 0.167 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152 | 176.8 | -62.5 | -89.5 | 0 | 0 | 0 | 112.5 | H361 C373 Q374 N384 | H361-F377 HydrophobicContact CB-CB 4.14Å; H361-F377 HydrophobicContact CB-CD1 3.74Å; H361-F377 HydrophobicContact CB-CD2 3.71Å; H361-F377 HydrophobicContact CB-CE1 4Å; H361-F377 HydrophobicContact CB-CE2 3.98Å; H361-F377 HydrophobicContact CB-CG 3.58Å; H361-F377 HydrophobicContact CB-CZ 4.12Å; H361-F377 AromaticContact CD2-CD1 3.7Å; H361-F377 AromaticContact CD2-CE1 3.4Å; H361-F377 WeakPolarHBondContact CD2-CE1 3.03Å; H361-F377 AromaticContact CD2-CZ 3.93Å; H361-F377 AromaticContact CG-CD1 3.76Å; H361-F377 AromaticContact CG-CE1 3.53Å; H361-F377 AromaticContact CG-CE2 3.99Å; H361-F377 AromaticContact CG-CZ 3.66Å; H361-F377 AromaticContact ND1-CZ 3.73Å; H361-F377 AromaticContact NE2-CE1 3.84Å; C373-F377 HydrophobicContact CB-CB 4.28Å; C373-F377 WeakPolarHBondContact CB-O 3.42Å; Q374-F377 HydrophobicContact CB-CD2 4.38Å; Q374-F377 PolarHBondContact O-N 2.94Å; Q374-F377 VanDerWaalsContact O-N 3.15Å; F377-N384 CarbonylContact C-O 3.54Å; F377-N384 WeakPolarHBondContact CA-O 3.5Å |
| 378 | Q | 86.3 | Confident | 86.3 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 29% | 0.29 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 179.1 | -179.9 | 61.6 | 166.8 | 15.7 | 0 | 0 | 112.8 | C382 N384 P387 C395 | Q378-C382 WeakPolarHBondContact O-CA 3.49Å; Q378-N384 HydrophobicContact CG-CB 4.28Å; Q378-N384 PolarHBondContact N-O 2.68Å; Q378-N384 PolarHBondContact O-N 2.9Å; Q378-P387 VanDerWaalsContact NE2-CD 3.29Å; Q378-C395 VanDerWaalsContact CG-SG 3.56Å |
| 379 | G | 84.6 | Confident | 86.1 | Confident | 41 Ų | 41 | 61 Ų | 61 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 87.4 | 161.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S381 C382 | G379-S381 PolarHBondContact O-N 3.32Å; G379-S381 VanDerWaalsContact O-N 3.13Å; G379-C382 PolarHBondContact O-N 2.04Å |
| 380 | E | 84.2 | Confident | 86.2 | Confident | 184 Ų | 184 | 63.1 Ų | 63.1 | 86% | 0.86 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.5 | -168.2 | -60 | -170.7 | 128 | 0 | 0 | 114.5 | C371 | C371-E380 VanDerWaalsContact CB-O 3.26Å; C371-E380 WeakPolarHBondContact CB-O 3.42Å; C371-E380 PolarHBondContact SG-O 3.45Å |
| 381 | S | 85.9 | Confident | 86.2 | Confident | 43 Ų | 43 | 56 Ų | 56 | 30% | 0.301 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 6.6 | 175 | -51.9 | 0 | 0 | 0 | 0 | 113.9 | P358 F360 G379 N383 | P358-S381 WeakPolarHBondContact O-CB 3.48Å; F360-S381 PolarHBondContact N-O 3.08Å; G379-S381 PolarHBondContact O-N 3.32Å; G379-S381 VanDerWaalsContact O-N 3.13Å; S381-N383 VanDerWaalsContact C-N 3.26Å; S381-N383 PolarHBondContact O-N 2.53Å |
| 382 | C | 87.7 | Confident | 86 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 53.3 | 38.3 | -173.8 | -51.8 | 0 | 0 | 0 | 0 | 114.1 | H361 C371 C373 Q378 G379 | H361-C382 HydrophobicContact CB-CB 4.46Å; H361-C382 WeakPolarHBondContact CB-O 3.46Å; H361-C382 PolarHBondContact N-O 2.76Å; C371-C382 VanDerWaalsContact CB-SG 3.51Å; C373-C382 WeakPolarHBondContact CA-SG 3.45Å; C373-C382 HydrophobicContact CB-CB 3.75Å; C373-C382 WeakPolarHBondContact CB-SG 3.02Å; C373-C382 PolarHBondContact N-SG 3.28Å; C373-C382 VanDerWaalsContact SG-CA 3.52Å; C373-C382 WeakPolarHBondContact SG-CB 3.33Å; C373-C382 CovalentContact SG-SG 2.04Å; C373-C382 PolarHBondContact SG-SG 2.79Å; Q378-C382 WeakPolarHBondContact O-CA 3.49Å; G379-C382 PolarHBondContact O-N 2.04Å |
| 383 | N | 89.4 | Confident | 85.8 | Confident | 98 Ų | 98 | 54.3 Ų | 54.3 | 52% | 0.524 | 31% | 0.313 | S | S | . | . | trans | -92.6 | -19.7 | -177.8 | -165.6 | 44.1 | 0 | 0 | 0 | 113.3 | F360 S381 | F360-N383 HydrophobicContact CD2-CB 4.03Å; S381-N383 VanDerWaalsContact C-N 3.26Å; S381-N383 PolarHBondContact O-N 2.53Å | ||
| 384 | N | 85.3 | Confident | 85.5 | Confident | 93 Ų | 93 | 59.2 Ų | 59.2 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126.1 | -174.7 | -62.6 | -18.8 | 0 | 0 | 0 | 110 | F377 Q378 | F377-N384 CarbonylContact C-O 3.54Å; F377-N384 WeakPolarHBondContact CA-O 3.5Å; Q378-N384 HydrophobicContact CG-CB 4.28Å; Q378-N384 PolarHBondContact N-O 2.68Å; Q378-N384 PolarHBondContact O-N 2.9Å |
| 385 | T | 85.4 | Confident | 85.3 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 154.1 | 167.1 | -43.6 | 0 | 0 | 0 | 0 | 110.6 | G376 P409 | G376-T385 CarbonylContact O-C 3.47Å; G376-T385 VanDerWaalsContact O-CA 3.32Å; G376-T385 WeakPolarHBondContact O-CA 3.32Å; G376-T385 WeakPolarHBondContact O-CG2 3.28Å; T385-P409 HydrophobicContact CG2-CB 3.94Å; T385-P409 HydrophobicContact CG2-CG 3.67Å |
| 386 | C | 86.9 | Confident | 85.4 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 8% | 0.081 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -58 | 128.9 | 172.7 | -64 | 0 | 0 | 0 | 0 | 111.4 | G376 L390 C395 P409 | G376-C386 WeakPolarHBondContact CA-SG 3.25Å; G376-C386 PolarHBondContact O-N 2.8Å; C386-L390 VanDerWaalsContact CB-O 3.24Å; C386-L390 WeakPolarHBondContact CB-O 3.24Å; C386-C395 WeakPolarHBondContact CA-SG 3.33Å; C386-C395 HydrophobicContact CB-CB 3.75Å; C386-C395 WeakPolarHBondContact CB-SG 3.4Å; C386-C395 WeakPolarHBondContact SG-CA 3.05Å; C386-C395 WeakPolarHBondContact SG-CB 3.2Å; C386-C395 CovalentContact SG-SG 2.03Å; C386-C395 PolarHBondContact SG-SG 3.41Å; C386-P409 HydrophobicContact CB-CB 3.92Å |
| 387 | P | 85.3 | Confident | 85.4 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 41% | 0.409 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -72 | 142.8 | 173.3 | 30.6 | -34.1 | 0 | 0 | 0 | 109.4 | Q378 L390 | Q378-P387 VanDerWaalsContact NE2-CD 3.29Å; P387-L390 HydrophobicContact CG-CD1 4.4Å; P387-L390 WeakPolarHBondContact O-CA 3.01Å; P387-L390 WeakPolarHBondContact O-CB 2.99Å; P387-L390 PolarHBondContact O-N 2.03Å |
| 388 | A | 81.3 | Confident | 85.4 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 61% | 0.612 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 139 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 389 | P | 82.8 | Confident | 85.3 | Confident | 68 Ų | 68 | 61 Ų | 61 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -101.7 | 54.5 | 6.7 | 40 | -34.3 | 0 | 0 | 0 | 113.1 | V398 C399 | P389-V398 HydrophobicContact CG-CG1 4.43Å; P389-V398 CarbonylContact O-C 3.54Å; P389-V398 WeakPolarHBondContact O-CA 3.43Å; P389-C399 HydrophobicContact CB-CB 4.02Å; P389-C399 PolarHBondContact O-N 3.25Å; P389-C399 PolarHBondContact O-SG 3.22Å |
| 390 | L | 86.8 | Confident | 85.1 | Confident | 53 Ų | 53 | 66.5 Ų | 66.5 | 28% | 0.277 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 149.7 | -179.4 | -61 | 172 | 0 | 0 | 0 | 113.4 | C386 P387 C395 S397 V398 | C386-L390 VanDerWaalsContact CB-O 3.24Å; C386-L390 WeakPolarHBondContact CB-O 3.24Å; P387-L390 HydrophobicContact CG-CD1 4.4Å; P387-L390 WeakPolarHBondContact O-CA 3.01Å; P387-L390 WeakPolarHBondContact O-CB 2.99Å; P387-L390 PolarHBondContact O-N 2.03Å; L390-C395 HydrophobicContact CB-CB 4Å; L390-C395 HydrophobicContact CD1-CB 4.49Å; L390-S397 CarbonylContact C-O 3.5Å; L390-S397 VanDerWaalsContact CA-O 3.3Å; L390-S397 WeakPolarHBondContact CA-O 3.22Å; L390-V398 HydrophobicContact CD2-CG2 3.84Å |
| 391 | F | 87.3 | Confident | 84.8 | Confident | 45 Ų | 45 | 59 Ų | 59 | 20% | 0.197 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 172.3 | 178.6 | 77.9 | -87.8 | 0 | 0 | 0 | 113.2 | C395 S396 S397 V398 C407 P409 G412 | F391-C395 CarbonylContact O-C 3.49Å; F391-C395 WeakPolarHBondContact O-CA 3.22Å; F391-S396 PolarHBondContact O-N 3Å; F391-S397 WeakPolarHBondContact CD1-O 3.26Å; F391-S397 PolarHBondContact N-O 2.89Å; F391-S397 WeakPolarHBondContact O-CB 3.07Å; F391-S397 PolarHBondContact O-N 3.16Å; F391-S397 VanDerWaalsContact O-N 3.1Å; F391-V398 WeakPolarHBondContact CE1-O 2.98Å; F391-C407 VanDerWaalsContact CD1-SG 3.55Å; F391-P409 CarbonylContact C-O 3.47Å; F391-P409 VanDerWaalsContact CA-O 3.28Å; F391-P409 WeakPolarHBondContact CA-O 3.31Å; F391-P409 VanDerWaalsContact CB-O 3.3Å; F391-P409 WeakPolarHBondContact CB-O 3.26Å; F391-G412 VanDerWaalsContact CD2-CA 3.45Å; F391-G412 VanDerWaalsContact CD2-N 3.33Å |
| 392 | G | 83.6 | Confident | 84 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 10% | 0.103 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 87.4 | -162 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P375 G376 N394 C395 P409 | P375-G392 WeakPolarHBondContact CA-O 3.32Å; G376-G392 PolarHBondContact N-O 3.04Å; G392-N394 PolarHBondContact O-N 3.44Å; G392-C395 PolarHBondContact O-N 2.94Å; G392-P409 PolarHBondContact N-O 2.99Å |
| 393 | L | 84.1 | Confident | 83 | Confident | 53 Ų | 53 | 69.1 Ų | 69.1 | 28% | 0.277 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -68.8 | 128.7 | 179.1 | -74.3 | 164 | 0 | 0 | 0 | 110.3 | P375 C395 S396 | P375-L393 HydrophobicContact CB-CD2 4.27Å; P375-L393 HydrophobicContact CB-CG 4.27Å; P375-L393 HydrophobicContact CG-CD2 3.75Å; P375-L393 HydrophobicContact CG-CG 4.01Å; L393-C395 PolarHBondContact O-N 3.23Å; L393-S396 PolarHBondContact O-N 2.6Å; L393-S396 PolarHBondContact O-OG 2.96Å |
| 394 | N | 81.3 | Confident | 81.9 | Confident | 110 Ų | 110 | 68.6 Ų | 68.6 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | 48.3 | 28.4 | -172.7 | -64.3 | -6.7 | 0 | 0 | 0 | 113.9 | G392 S396 | G392-N394 PolarHBondContact O-N 3.44Å; N394-S396 PolarHBondContact O-N 2.97Å |
| 395 | C | 84.8 | Confident | 81.3 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 4% | 0.041 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | 54.2 | 35 | 179.1 | -47.6 | 0 | 0 | 0 | 0 | 114.1 | Q378 C386 L390 F391 G392 L393 | Q378-C395 VanDerWaalsContact CG-SG 3.56Å; C386-C395 WeakPolarHBondContact CA-SG 3.33Å; C386-C395 HydrophobicContact CB-CB 3.75Å; C386-C395 WeakPolarHBondContact CB-SG 3.4Å; C386-C395 WeakPolarHBondContact SG-CA 3.05Å; C386-C395 WeakPolarHBondContact SG-CB 3.2Å; C386-C395 CovalentContact SG-SG 2.03Å; C386-C395 PolarHBondContact SG-SG 3.41Å; L390-C395 HydrophobicContact CB-CB 4Å; L390-C395 HydrophobicContact CD1-CB 4.49Å; F391-C395 CarbonylContact O-C 3.49Å; F391-C395 WeakPolarHBondContact O-CA 3.22Å; G392-C395 PolarHBondContact O-N 2.94Å; L393-C395 PolarHBondContact O-N 3.23Å |
| 396 | S | 87.1 | Confident | 80.8 | Confident | 93 Ų | 93 | 65 Ų | 65 | 65% | 0.65 | 42% | 0.419 | S | S | * | . | trans | -83.5 | -9.8 | -172 | 52 | 0 | 0 | 0 | 0 | 115.4 | F391 L393 N394 | F391-S396 PolarHBondContact O-N 3Å; L393-S396 PolarHBondContact O-N 2.6Å; L393-S396 PolarHBondContact O-OG 2.96Å; N394-S396 PolarHBondContact O-N 2.97Å | ||
| 397 | S | 86.6 | Confident | 80.6 | Confident | 44 Ų | 44 | 65.2 Ų | 65.2 | 31% | 0.308 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138 | -179.5 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | L390 F391 | L390-S397 CarbonylContact C-O 3.5Å; L390-S397 VanDerWaalsContact CA-O 3.3Å; L390-S397 WeakPolarHBondContact CA-O 3.22Å; F391-S397 WeakPolarHBondContact CD1-O 3.26Å; F391-S397 PolarHBondContact N-O 2.89Å; F391-S397 WeakPolarHBondContact O-CB 3.07Å; F391-S397 PolarHBondContact O-N 3.16Å; F391-S397 VanDerWaalsContact O-N 3.1Å |
| 398 | V | 86.8 | Confident | 80.5 | Confident | 100 Ų | 100 | 66.9 Ų | 66.9 | 61% | 0.606 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.1 | 178.3 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | P389 L390 F391 | P389-V398 HydrophobicContact CG-CG1 4.43Å; P389-V398 CarbonylContact O-C 3.54Å; P389-V398 WeakPolarHBondContact O-CA 3.43Å; L390-V398 HydrophobicContact CD2-CG2 3.84Å; F391-V398 WeakPolarHBondContact CE1-O 2.98Å |
| 399 | C | 83.8 | Confident | 80.6 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 10% | 0.095 | 40% | 0.403 | C | S | . | . | trans | -66.5 | 127.1 | 174.1 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | P389 C407 | P389-C399 HydrophobicContact CB-CB 4.02Å; P389-C399 PolarHBondContact O-N 3.25Å; P389-C399 PolarHBondContact O-SG 3.22Å; C399-C407 HydrophobicContact CB-CB 3.56Å; C399-C407 WeakPolarHBondContact CB-SG 3.46Å; C399-C407 WeakPolarHBondContact SG-CB 3.02Å; C399-C407 PolarHBondContact SG-N 2.67Å; C399-C407 CovalentContact SG-SG 2.03Å; C399-C407 PolarHBondContact SG-SG 2.95Å | ||
| 400 | D | 81.7 | Confident | 80.7 | Confident | 157 Ų | 157 | 64.6 Ų | 64.6 | 84% | 0.84 | 40% | 0.4 | S | S | * | . | trans | -103.6 | 72.6 | 171.2 | -170.7 | 16.2 | 0 | 0 | 0 | 110.7 | C414 | D400-C414 PolarHBondContact O-SG 2.8Š| ||
| 401 | C | 77.1 | Confident | 80.5 | Confident | 27 Ų | 27 | 66.3 Ų | 66.3 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -120.3 | 9.2 | -176.2 | -58.6 | 0 | 0 | 0 | 0 | 114.2 | V405 C407 C414 | C401-V405 HydrophobicContact CB-CB 4.11Å; C401-V405 HydrophobicContact CB-CG1 4.01Å; C401-C407 WeakPolarHBondContact SG-CB 3.46Å; C401-C414 WeakPolarHBondContact CA-SG 2.98Å; C401-C414 HydrophobicContact CB-CB 3.82Å; C401-C414 WeakPolarHBondContact CB-SG 3.01Å; C401-C414 VanDerWaalsContact SG-CA 3.54Å; C401-C414 WeakPolarHBondContact SG-CB 3.17Å; C401-C414 CovalentContact SG-SG 2.03Å; C401-C414 PolarHBondContact SG-SG 2.03Å |
| 402 | G | 68.3 | Low | 80.2 | Confident | 52 Ų | 52 | 65 Ų | 65 | 54% | 0.536 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 87.4 | 166.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G404 V405 | G402-G404 PolarHBondContact O-N 2.9Å; G402-V405 PolarHBondContact O-N 3.28Å |
| 403 | E | 67.9 | Low | 80.1 | Confident | 203 Ų | 203 | 67.2 Ų | 67.2 | 95% | 0.949 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 123.6 | -168.6 | -159.1 | 167.4 | -152.9 | 0 | 0 | 112.1 | V405 | E403-V405 VanDerWaalsContact C-N 3.31Å; E403-V405 PolarHBondContact O-N 2.85Å |
| 404 | G | 65.8 | Low | 80 | Confident | 87 Ų | 87 | 66.9 Ų | 66.9 | 90% | 0.897 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -2.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | G402 | G402-G404 PolarHBondContact O-N 2.9Š|
| 405 | V | 72.1 | Confident | 79.6 | Confident | 61 Ų | 61 | 65.8 Ų | 65.8 | 37% | 0.37 | 43% | 0.43 | S | S | . | . | trans | -95.1 | 115.1 | -177.4 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | C401 G402 E403 P415 | C401-V405 HydrophobicContact CB-CB 4.11Å; C401-V405 HydrophobicContact CB-CG1 4.01Å; G402-V405 PolarHBondContact O-N 3.28Å; E403-V405 VanDerWaalsContact C-N 3.31Å; E403-V405 PolarHBondContact O-N 2.85Å; V405-P415 HydrophobicContact CG1-CG 4.37Å | ||
| 406 | G | 76.3 | Confident | 78.7 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 34% | 0.34 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 142.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 407 | C | 81.6 | Confident | 77.3 | Confident | 17 Ų | 17 | 76.8 Ų | 76.8 | 12% | 0.115 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -97.9 | 168 | 171.7 | 72.5 | 0 | 0 | 0 | 0 | 112.4 | F391 C399 C401 G412 | F391-C407 VanDerWaalsContact CD1-SG 3.55Å; C399-C407 HydrophobicContact CB-CB 3.56Å; C399-C407 WeakPolarHBondContact CB-SG 3.46Å; C399-C407 WeakPolarHBondContact SG-CB 3.02Å; C399-C407 PolarHBondContact SG-N 2.67Å; C399-C407 CovalentContact SG-SG 2.03Å; C399-C407 PolarHBondContact SG-SG 2.95Å; C401-C407 WeakPolarHBondContact SG-CB 3.46Å; C407-G412 WeakPolarHBondContact CB-O 3.25Å |
| 408 | H | 84.3 | Confident | 76.1 | Confident | 98 Ų | 98 | 77.7 Ų | 77.7 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -65 | 118.8 | 176.4 | -176.7 | -107.5 | 0 | 0 | 0 | 111.1 | V410 T411 G412 A413 | H408-V410 PolarHBondContact O-N 3.49Å; H408-V410 VanDerWaalsContact O-N 3.08Å; H408-T411 PolarHBondContact ND1-OG1 3.19Å; H408-T411 PolarHBondContact O-N 3.3Å; H408-T411 VanDerWaalsContact O-N 3.07Å; H408-G412 PolarHBondContact O-N 2.87Å; H408-A413 HydrophobicContact CB-CB 4.22Å; H408-A413 PolarHBondContact N-O 2.02Å |
| 409 | P | 81.8 | Confident | 74.7 | Confident | 31 Ų | 31 | 83.6 Ų | 83.6 | 20% | 0.201 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.6 | -163.2 | 24.8 | -35.6 | 0 | 0 | 0 | 114.1 | G376 T385 C386 F391 G392 | G376-P409 WeakPolarHBondContact CA-O 3.47Å; G376-P409 PolarHBondContact N-O 3.11Å; T385-P409 HydrophobicContact CG2-CB 3.94Å; T385-P409 HydrophobicContact CG2-CG 3.67Å; C386-P409 HydrophobicContact CB-CB 3.92Å; F391-P409 CarbonylContact C-O 3.47Å; F391-P409 VanDerWaalsContact CA-O 3.28Å; F391-P409 WeakPolarHBondContact CA-O 3.31Å; F391-P409 VanDerWaalsContact CB-O 3.3Å; F391-P409 WeakPolarHBondContact CB-O 3.26Å; G392-P409 PolarHBondContact N-O 2.99Å |
| 410 | V | 85.9 | Confident | 73.4 | Confident | 63 Ų | 63 | 85.5 Ų | 85.5 | 38% | 0.382 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -30.1 | 178.7 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | P375 H408 | P375-V410 HydrophobicContact CB-CG1 4.22Å; H408-V410 PolarHBondContact O-N 3.49Å; H408-V410 VanDerWaalsContact O-N 3.08Å |
| 411 | T | 82.3 | Confident | 72.3 | Confident | 89 Ų | 89 | 81.8 Ų | 81.8 | 55% | 0.546 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | -7.5 | -163.6 | 61.4 | 0 | 0 | 0 | 0 | 116.1 | H408 A413 | H408-T411 PolarHBondContact ND1-OG1 3.19Å; H408-T411 PolarHBondContact O-N 3.3Å; H408-T411 VanDerWaalsContact O-N 3.07Å; T411-A413 VanDerWaalsContact C-N 3.27Å; T411-A413 PolarHBondContact O-N 2.92Å |
| 412 | G | 80.9 | Confident | 71.5 | Confident | 17 Ų | 17 | 85.6 Ų | 85.6 | 18% | 0.175 | 54% | 0.537 | C | S | . | . | trans | 78.8 | 0.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | F391 C407 H408 C414 | F391-G412 VanDerWaalsContact CD2-CA 3.45Å; F391-G412 VanDerWaalsContact CD2-N 3.33Å; C407-G412 WeakPolarHBondContact CB-O 3.25Å; H408-G412 PolarHBondContact O-N 2.87Å; G412-C414 PolarHBondContact O-N 2.88Å | ||
| 413 | A | 82.2 | Confident | 71 | Confident | 57 Ų | 57 | 88.8 Ų | 88.8 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | trans | -70.2 | 129.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H408 T411 | H408-A413 HydrophobicContact CB-CB 4.22Å; H408-A413 PolarHBondContact N-O 2.02Å; T411-A413 VanDerWaalsContact C-N 3.27Å; T411-A413 PolarHBondContact O-N 2.92Å | ||
| 414 | C | 82.1 | Confident | 70.7 | Confident | 45 Ų | 45 | 81.9 Ų | 81.9 | 30% | 0.304 | 52% | 0.519 | S | S | . | . | trans | -85.6 | 138.6 | 174.4 | -51.5 | 0 | 0 | 0 | 0 | 111.7 | D400 C401 G412 Y416 | D400-C414 PolarHBondContact O-SG 2.8Å; C401-C414 WeakPolarHBondContact CA-SG 2.98Å; C401-C414 HydrophobicContact CB-CB 3.82Å; C401-C414 WeakPolarHBondContact CB-SG 3.01Å; C401-C414 VanDerWaalsContact SG-CA 3.54Å; C401-C414 WeakPolarHBondContact SG-CB 3.17Å; C401-C414 CovalentContact SG-SG 2.03Å; C401-C414 PolarHBondContact SG-SG 2.03Å; G412-C414 PolarHBondContact O-N 2.88Å; C414-Y416 VanDerWaalsContact C-N 3.28Å; C414-Y416 PolarHBondContact O-N 3.16Å; C414-Y416 VanDerWaalsContact O-N 3.14Å | ||
| 415 | P | 71.6 | Confident | 70.6 | Confident | 88 Ų | 88 | 80.2 Ų | 80.2 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.4 | -171.2 | 24.7 | -34 | 0 | 0 | 0 | 116.3 | V405 | V405-P415 HydrophobicContact CG1-CG 4.37Š|
| 416 | Y | 66.8 | Low | 70.6 | Confident | 223 Ų | 223 | 81.6 Ų | 81.6 | 88% | 0.875 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | 17.7 | -173.1 | -76.1 | -72.4 | 0 | 0 | 0 | 115.8 | C414 G418 | C414-Y416 VanDerWaalsContact C-N 3.28Å; C414-Y416 PolarHBondContact O-N 3.16Å; C414-Y416 VanDerWaalsContact O-N 3.14Å; Y416-G418 PolarHBondContact O-N 3.18Å |
| 417 | S | 58.3 | Low | 70.2 | Confident | 107 Ų | 107 | 84.3 Ų | 84.3 | 75% | 0.748 | 52% | 0.516 | S | S | * | . | trans | -78 | 45.8 | 175.2 | -155.6 | 0 | 0 | 0 | 0 | 113.5 | R419 | S417-R419 VanDerWaalsContact C-N 3.27Å; S417-R419 PolarHBondContact O-N 3.01Å | ||
| 418 | G | 60 | Low | 70 | Confident | 62 Ų | 62 | 87.6 Ų | 87.6 | 64% | 0.639 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 17.1 | -166 | 0 | 0 | 0 | 0 | 0 | 117.4 | Y416 | Y416-G418 PolarHBondContact O-N 3.18Š|
| 419 | R | 58.1 | Low | 69.7 | Low | 225 Ų | 225 | 86.2 Ų | 86.2 | 85% | 0.849 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -17.2 | -173 | -71.3 | -172.6 | 176.3 | -175.1 | -0.1 | 115.1 | S417 A421 | S417-R419 VanDerWaalsContact C-N 3.27Å; S417-R419 PolarHBondContact O-N 3.01Å; R419-A421 VanDerWaalsContact C-N 3.33Å; R419-A421 PolarHBondContact O-N 2.9Å |
| 420 | G | 56 | Low | 69.5 | Low | 54 Ų | 54 | 89.9 Ų | 89.9 | 56% | 0.557 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.2 | -28 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V422 L423 | G420-V422 VanDerWaalsContact C-N 3.31Å; G420-V422 PolarHBondContact O-N 3.34Å; G420-L423 PolarHBondContact O-N 3.45Å |
| 421 | A | 58.4 | Low | 69.1 | Low | 78 Ų | 78 | 92.6 Ų | 92.6 | 65% | 0.645 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64 | -31.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R419 G425 | R419-A421 VanDerWaalsContact C-N 3.33Å; R419-A421 PolarHBondContact O-N 2.9Å; A421-G425 PolarHBondContact O-N 2.88Å |
| 422 | V | 60.9 | Low | 69 | Low | 108 Ų | 108 | 93.8 Ų | 93.8 | 66% | 0.655 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.6 | -37.1 | -176.1 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | G420 G425 V426 | G420-V422 VanDerWaalsContact C-N 3.31Å; G420-V422 PolarHBondContact O-N 3.34Å; V422-G425 PolarHBondContact O-N 3.37Å; V422-V426 PolarHBondContact O-N 3.18Å |
| 423 | L | 58.3 | Low | 68.9 | Low | 119 Ų | 119 | 98.6 Ų | 98.6 | 62% | 0.623 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.8 | -42.7 | -179.5 | -75.7 | 163.1 | 0 | 0 | 0 | 111.9 | G420 G425 V426 L427 | G420-L423 PolarHBondContact O-N 3.45Å; L423-G425 VanDerWaalsContact C-N 3.34Å; L423-G425 PolarHBondContact O-N 2.71Å; L423-V426 PolarHBondContact O-N 2.96Å; L423-L427 WeakPolarHBondContact O-CB 3.47Å; L423-L427 WeakPolarHBondContact O-CG 3.08Å; L423-L427 PolarHBondContact O-N 3.19Å; L423-L427 VanDerWaalsContact O-N 3.11Å |
| 424 | A | 60.6 | Low | 68.7 | Low | 58 Ų | 58 | 102.3 Ų | 102.3 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.9 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V426 V428 | A424-V426 VanDerWaalsContact C-N 3.27Å; A424-V426 PolarHBondContact O-N 2.03Å; A424-V428 WeakPolarHBondContact O-CG2 3.23Å; A424-V428 PolarHBondContact O-N 3.44Å |
| 425 | G | 64.3 | Low | 68.4 | Low | 52 Ų | 52 | 106.4 Ų | 106.4 | 54% | 0.536 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64 | -24.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A421 V422 L423 P429 | A421-G425 PolarHBondContact O-N 2.88Å; V422-G425 PolarHBondContact O-N 3.37Å; L423-G425 VanDerWaalsContact C-N 3.34Å; L423-G425 PolarHBondContact O-N 2.71Å; G425-P429 VanDerWaalsContact O-CD 3.25Å; G425-P429 WeakPolarHBondContact O-CD 3.29Å; G425-P429 WeakPolarHBondContact O-CG 3.32Å |
| 426 | V | 72.1 | Confident | 68.6 | Low | 89 Ų | 89 | 104.8 Ų | 104.8 | 54% | 0.539 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -95.3 | -38.9 | 178.7 | 179 | 0 | 0 | 0 | 0 | 112.2 | V422 L423 A424 P429 L430 | V422-V426 PolarHBondContact O-N 3.18Å; L423-V426 PolarHBondContact O-N 2.96Å; A424-V426 VanDerWaalsContact C-N 3.27Å; A424-V426 PolarHBondContact O-N 2.03Å; V426-P429 WeakPolarHBondContact O-CD 3.31Å; V426-P429 WeakPolarHBondContact O-CG 3.25Å; V426-L430 WeakPolarHBondContact O-CB 3.38Å |
| 427 | L | 68.5 | Low | 69 | Low | 90 Ų | 90 | 98.1 Ų | 98.1 | 47% | 0.471 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.7 | -39.5 | -175.2 | -69.1 | 170.9 | 0 | 0 | 0 | 113 | L423 L430 F431 | L423-L427 WeakPolarHBondContact O-CB 3.47Å; L423-L427 WeakPolarHBondContact O-CG 3.08Å; L423-L427 PolarHBondContact O-N 3.19Å; L423-L427 VanDerWaalsContact O-N 3.11Å; L427-L430 PolarHBondContact O-N 2.96Å; L427-F431 WeakPolarHBondContact O-CD2 3.49Å; L427-F431 PolarHBondContact O-N 3.31Å |
| 428 | V | 76.6 | Confident | 69.6 | Low | 86 Ų | 86 | 97.2 Ų | 97.2 | 52% | 0.521 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59 | -53.1 | -179.6 | 173.2 | 0 | 0 | 0 | 0 | 113.2 | A424 L430 F431 L432 | A424-V428 WeakPolarHBondContact O-CG2 3.23Å; A424-V428 PolarHBondContact O-N 3.44Å; V428-L430 VanDerWaalsContact C-N 3.28Å; V428-L430 PolarHBondContact O-N 2.96Å; V428-F431 PolarHBondContact O-N 2.04Å; V428-L432 HydrophobicContact CG1-CD1 4.05Å; V428-L432 WeakPolarHBondContact O-CG 3.32Å; V428-L432 PolarHBondContact O-N 3.46Å |
| 429 | P | 77.8 | Confident | 70 | Confident | 70 Ų | 70 | 97.8 Ų | 97.8 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -31.7 | 178.1 | 24.6 | -33.7 | 0 | 0 | 0 | 112.8 | G425 V426 L432 L433 | G425-P429 VanDerWaalsContact O-CD 3.25Å; G425-P429 WeakPolarHBondContact O-CD 3.29Å; G425-P429 WeakPolarHBondContact O-CG 3.32Å; V426-P429 WeakPolarHBondContact O-CD 3.31Å; V426-P429 WeakPolarHBondContact O-CG 3.25Å; P429-L432 PolarHBondContact O-N 2.81Å; P429-L433 WeakPolarHBondContact O-CB 3.39Å; P429-L433 PolarHBondContact O-N 3.31Å |
| 430 | L | 77.8 | Confident | 70.5 | Confident | 107 Ų | 107 | 91 Ų | 91 | 56% | 0.56 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.5 | -40.7 | 179 | -165.7 | 151.1 | 0 | 0 | 0 | 111.8 | V426 L427 V428 L433 F434 | V426-L430 WeakPolarHBondContact O-CB 3.38Å; L427-L430 PolarHBondContact O-N 2.96Å; V428-L430 VanDerWaalsContact C-N 3.28Å; V428-L430 PolarHBondContact O-N 2.96Å; L430-L433 PolarHBondContact O-N 3.29Å; L430-F434 PolarHBondContact O-N 2.02Å |
| 431 | F | 77.2 | Confident | 70.9 | Confident | 120 Ų | 120 | 93 Ų | 93 | 53% | 0.526 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 171 | -92.1 | -75.2 | 0 | 0 | 0 | 112.6 | L427 V428 L433 F434 F435 | L427-F431 WeakPolarHBondContact O-CD2 3.49Å; L427-F431 PolarHBondContact O-N 3.31Å; V428-F431 PolarHBondContact O-N 2.04Å; F431-L433 VanDerWaalsContact C-N 3.31Å; F431-L433 PolarHBondContact O-N 2.96Å; F431-F434 PolarHBondContact O-N 2.85Å; F431-F435 HydrophobicContact CD1-CE2 4.29Å; F431-F435 VanDerWaalsContact O-CD2 3.26Å; F431-F435 WeakPolarHBondContact O-CD2 3Å; F431-F435 PolarHBondContact O-N 3.24Å |
| 432 | L | 80.4 | Confident | 70.9 | Confident | 114 Ų | 114 | 95.7 Ų | 95.7 | 60% | 0.597 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.2 | -39.5 | 176.7 | -72.3 | 170.9 | 0 | 0 | 0 | 112 | V428 P429 F435 A436 | V428-L432 HydrophobicContact CG1-CD1 4.05Å; V428-L432 WeakPolarHBondContact O-CG 3.32Å; V428-L432 PolarHBondContact O-N 3.46Å; P429-L432 PolarHBondContact O-N 2.81Å; L432-F435 PolarHBondContact O-N 2.73Å; L432-A436 WeakPolarHBondContact O-CB 3.34Å; L432-A436 PolarHBondContact O-N 2.9Å |
| 433 | L | 80.1 | Confident | 70.7 | Confident | 119 Ų | 119 | 95.3 Ų | 95.3 | 62% | 0.623 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.4 | -41.4 | 175.4 | -159.1 | 160 | 0 | 0 | 0 | 111.1 | P429 L430 F431 A436 V437 | P429-L433 WeakPolarHBondContact O-CB 3.39Å; P429-L433 PolarHBondContact O-N 3.31Å; L430-L433 PolarHBondContact O-N 3.29Å; F431-L433 VanDerWaalsContact C-N 3.31Å; F431-L433 PolarHBondContact O-N 2.96Å; L433-A436 PolarHBondContact O-N 2.9Å; L433-V437 HydrophobicContact CD2-CG2 4.12Å; L433-V437 WeakPolarHBondContact O-CG2 3.46Å; L433-V437 PolarHBondContact O-N 2.91Å |
| 434 | F | 76.4 | Confident | 70.6 | Confident | 135 Ų | 135 | 95.1 Ų | 95.1 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.4 | -44.1 | 175.4 | -163.7 | -92.3 | 0 | 0 | 0 | 112.5 | L430 F431 V437 L438 | L430-F434 PolarHBondContact O-N 2.02Å; F431-F434 PolarHBondContact O-N 2.85Å; F434-V437 PolarHBondContact O-N 2.03Å; F434-L438 WeakPolarHBondContact O-CB 3.29Å; F434-L438 PolarHBondContact O-N 2.04Å |
| 435 | F | 76.1 | Confident | 70.1 | Confident | 130 Ų | 130 | 95.6 Ų | 95.6 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.5 | -36.8 | 174.5 | -81.3 | -66.7 | 0 | 0 | 0 | 112.9 | F431 L432 L438 C439 | F431-F435 HydrophobicContact CD1-CE2 4.29Å; F431-F435 VanDerWaalsContact O-CD2 3.26Å; F431-F435 WeakPolarHBondContact O-CD2 3Å; F431-F435 PolarHBondContact O-N 3.24Å; L432-F435 PolarHBondContact O-N 2.73Å; F435-L438 PolarHBondContact O-N 3.05Å; F435-C439 WeakPolarHBondContact O-CB 3.46Å; F435-C439 PolarHBondContact O-N 3.26Å |
| 436 | A | 76.4 | Confident | 68.9 | Low | 55 Ų | 55 | 97.1 Ų | 97.1 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.7 | -45.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L432 L433 C439 C440 | L432-A436 WeakPolarHBondContact O-CB 3.34Å; L432-A436 PolarHBondContact O-N 2.9Å; L433-A436 PolarHBondContact O-N 2.9Å; A436-C439 PolarHBondContact O-N 3.2Å; A436-C440 PolarHBondContact O-N 3.08Å; A436-C440 PolarHBondContact O-SG 3.31Å; A436-C440 VanDerWaalsContact O-SG 3.37Å |
| 437 | V | 74.9 | Confident | 67.3 | Low | 82 Ų | 82 | 96.4 Ų | 96.4 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.4 | -46.5 | 175.2 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | L433 F434 C439 C440 C441 | L433-V437 HydrophobicContact CD2-CG2 4.12Å; L433-V437 WeakPolarHBondContact O-CG2 3.46Å; L433-V437 PolarHBondContact O-N 2.91Å; F434-V437 PolarHBondContact O-N 2.03Å; V437-C439 VanDerWaalsContact C-N 3.29Å; V437-C439 PolarHBondContact O-N 3.26Å; V437-C440 PolarHBondContact O-N 2.9Å; V437-C441 PolarHBondContact O-N 3.14Å; V437-C441 PolarHBondContact O-SG 3.23Å; V437-C441 VanDerWaalsContact O-SG 3.36Å |
| 438 | L | 69.9 | Low | 66.8 | Low | 89 Ų | 89 | 98.7 Ų | 98.7 | 47% | 0.466 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60 | -39.8 | 178.5 | -166.1 | 72.5 | 0 | 0 | 0 | 112 | F434 F435 C441 L442 | F434-L438 WeakPolarHBondContact O-CB 3.29Å; F434-L438 PolarHBondContact O-N 2.04Å; F435-L438 PolarHBondContact O-N 3.05Å; L438-C441 PolarHBondContact O-N 2.81Å; L438-L442 WeakPolarHBondContact O-CG 3.29Å; L438-L442 PolarHBondContact O-N 2.87Å |
| 439 | C | 69.3 | Low | 64.9 | Low | 73 Ų | 73 | 99.3 Ų | 99.3 | 49% | 0.493 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.7 | -44.5 | 176.5 | -161.3 | 0 | 0 | 0 | 0 | 111.8 | F435 A436 V437 C441 L442 C443 | F435-C439 WeakPolarHBondContact O-CB 3.46Å; F435-C439 PolarHBondContact O-N 3.26Å; A436-C439 PolarHBondContact O-N 3.2Å; V437-C439 VanDerWaalsContact C-N 3.29Å; V437-C439 PolarHBondContact O-N 3.26Å; C439-C441 VanDerWaalsContact C-N 3.32Å; C439-C441 PolarHBondContact O-N 3.44Å; C439-L442 PolarHBondContact O-N 3.21Å; C439-L442 VanDerWaalsContact O-N 3.11Å; C439-C443 PolarHBondContact O-N 3.18Å; C439-C443 PolarHBondContact O-SG 3.5Å |
| 440 | C | 68.4 | Low | 63.3 | Low | 82 Ų | 82 | 103 Ų | 103 | 55% | 0.554 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -59.4 | -40.1 | 174.2 | -70.3 | 0 | 0 | 0 | 0 | 112.7 | A436 V437 L442 C443 C444 | A436-C440 PolarHBondContact O-N 3.08Å; A436-C440 PolarHBondContact O-SG 3.31Å; A436-C440 VanDerWaalsContact O-SG 3.37Å; V437-C440 PolarHBondContact O-N 2.9Å; C440-L442 VanDerWaalsContact C-N 3.28Å; C440-L442 PolarHBondContact O-N 2.81Å; C440-C443 PolarHBondContact O-N 2.7Å; C440-C444 PolarHBondContact O-N 2.65Å |
| 441 | C | 63.7 | Low | 61.5 | Low | 97 Ų | 97 | 104 Ų | 104 | 66% | 0.655 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.2 | -30.8 | 175.8 | -69 | 0 | 0 | 0 | 0 | 113.3 | V437 L438 C439 | V437-C441 PolarHBondContact O-N 3.14Å; V437-C441 PolarHBondContact O-SG 3.23Å; V437-C441 VanDerWaalsContact O-SG 3.36Å; L438-C441 PolarHBondContact O-N 2.81Å; C439-C441 VanDerWaalsContact C-N 3.32Å; C439-C441 PolarHBondContact O-N 3.44Å |
| 442 | L | 59.2 | Low | 59.6 | Low | 135 Ų | 135 | 107.4 Ų | 107.4 | 71% | 0.707 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -84.3 | -31.2 | 179.3 | -70.1 | 167.6 | 0 | 0 | 0 | 113.2 | L438 C439 C440 | L438-L442 WeakPolarHBondContact O-CG 3.29Å; L438-L442 PolarHBondContact O-N 2.87Å; C439-L442 PolarHBondContact O-N 3.21Å; C439-L442 VanDerWaalsContact O-N 3.11Å; C440-L442 VanDerWaalsContact C-N 3.28Å; C440-L442 PolarHBondContact O-N 2.81Å |
| 443 | C | 57.8 | Low | 57.7 | Low | 100 Ų | 100 | 107.6 Ų | 107.6 | 68% | 0.676 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -87.9 | -5.6 | -175 | -68 | 0 | 0 | 0 | 0 | 115.4 | C439 C440 | C439-C443 PolarHBondContact O-N 3.18Å; C439-C443 PolarHBondContact O-SG 3.5Å; C440-C443 PolarHBondContact O-N 2.7Å |
| 444 | C | 56.2 | Low | 55.6 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 78% | 0.777 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 7.7 | -176.7 | -69 | 0 | 0 | 0 | 0 | 115.4 | C440 | C440-C444 PolarHBondContact O-N 2.65Š|
| 445 | G | 49 | Very low | 53.6 | Low | 67 Ų | 67 | 105.7 Ų | 105.7 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -94.9 | 103.5 | 169 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 446 | G | 38.2 | Very low | 51.5 | Low | 84 Ų | 84 | 103.8 Ų | 103.8 | 87% | 0.866 | 70% | 0.701 | S | S | * | * | trans | -74.5 | 180 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 447 | G | 39.6 | Very low | 49.6 | Very low | 74 Ų | 74 | 108 Ų | 108 | 76% | 0.763 | 72% | 0.72 | S | S | * | * | cis | -170.7 | -174.6 | 5.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 448 | P | 57.5 | Low | 47.9 | Very low | 138 Ų | 138 | 110.1 Ų | 110.1 | 90% | 0.896 | 73% | 0.734 | S | S | * | * | trans | -109.2 | 151 | -157.6 | 38.8 | -34.2 | 0 | 0 | 0 | 117.4 | ||||
| 449 | A | 37.5 | Very low | 46.4 | Very low | 99 Ų | 99 | 113.7 Ų | 113.7 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -176.3 | 151.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 450 | D | 43.2 | Very low | 44.9 | Very low | 147 Ų | 147 | 113.5 Ų | 113.5 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | cis | -155.5 | -170 | -30.8 | -149.3 | -37.9 | 0 | 0 | 0 | 108.9 | ||||
| 451 | N | 40.6 | Very low | 43.5 | Very low | 129 Ų | 129 | 115.4 Ų | 115.4 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | trans | -96.1 | 157.8 | -156.2 | -75.9 | -96 | 0 | 0 | 0 | 118.2 | ||||
| 452 | K | 38.3 | Very low | 42.3 | Very low | 191 Ų | 191 | 118.9 Ų | 118.9 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | 73.4 | 148.1 | 143.7 | -94.8 | 171.1 | -179.7 | 170.5 | 0 | 118.6 | ||||
| 453 | T | 38.5 | Very low | 41.9 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | cis | -155 | 168.8 | -0.2 | -27.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 454 | S | 37.6 | Very low | 41.6 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | 126.4 | 90.2 | 139 | -63 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 455 | A | 32.8 | Very low | 41.3 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | 48.1 | 154.5 | 126.1 | 0 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 456 | A | 33.1 | Very low | 41.1 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | trans | 77.6 | 117.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 457 | V | 35.3 | Very low | 41.4 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | 78.8 | 125.4 | 56.8 | 171.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 458 | T | 40.2 | Very low | 41.9 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | cis | -123.5 | 177.4 | 19.8 | 50 | 0 | 0 | 0 | 0 | 116 | ||||
| 459 | D | 38.3 | Very low | 41.6 | Very low | 163 Ų | 163 | 146 Ų | 146 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -51.4 | 173 | 167.6 | -64.5 | -84.6 | 0 | 0 | 0 | 117.2 | ||||
| 460 | G | 37.6 | Very low | 42.1 | Very low | 70 Ų | 70 | 146.2 Ų | 146.2 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 154.5 | 28.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 461 | S | 39.8 | Very low | 42.3 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | 55.1 | 108.9 | 163.2 | 169.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 462 | M | 38.6 | Very low | 42.4 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -144.7 | 117 | 136.3 | -154.6 | -174.7 | -164.7 | 0 | 0 | 112.3 | V464 | M462-V464 VanDerWaalsContact C-N 3.31Å; M462-V464 PolarHBondContact O-N 3.33Å | ||
| 463 | L | 51.1 | Low | 42.8 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -82.9 | 54.7 | -173.2 | -167.9 | 77.8 | 0 | 0 | 0 | 113.4 | ||||
| 464 | V | 50.9 | Low | 43.2 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | trans | -144.3 | 141.3 | 176.4 | -161.4 | 0 | 0 | 0 | 0 | 112 | M462 | M462-V464 VanDerWaalsContact C-N 3.31Å; M462-V464 PolarHBondContact O-N 3.33Å | ||
| 465 | R | 50.3 | Low | 43.8 | Very low | 239 Ų | 239 | 142.3 Ų | 142.3 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 93.2 | 41.8 | 169 | -55.9 | -170.5 | 163.9 | 130.6 | -4 | 120.5 | ||
| 466 | M | 43.6 | Very low | 44.6 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 95% | 0.951 | 78% | 0.782 | S | S | * | * | trans | -148.5 | 75.3 | 160.8 | -152.4 | 170.1 | -167.4 | 0 | 0 | 116.8 | ||||
| 467 | K | 44.6 | Very low | 45.3 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | trans | -158.1 | 40.2 | 161.6 | -148.5 | 178 | -178.9 | 175 | 0 | 116.5 | ||||
| 468 | Y | 49.9 | Very low | 45.7 | Very low | 223 Ų | 223 | 145.1 Ų | 145.1 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -118.8 | 8.3 | -175.2 | -106.6 | -73.7 | 0 | 0 | 0 | 117.9 | ||
| 469 | H | 51.8 | Low | 46 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -112.7 | -5.4 | 176.5 | -85.2 | -77.4 | 0 | 0 | 0 | 116.1 | ||
| 470 | V | 48 | Very low | 46.6 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 62% | 0.624 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -89.7 | -28.7 | -178.8 | -178.3 | 0 | 0 | 0 | 0 | 112.8 | S472 | V470-S472 PolarHBondContact O-N 2.76Š|
| 471 | Y | 46.8 | Very low | 46.7 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 71% | 0.71 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -11.9 | -175.4 | -97.5 | -79 | 0 | 0 | 0 | 115.5 | ||
| 472 | S | 43 | Very low | 47 | Very low | 93 Ų | 93 | 145.2 Ų | 145.2 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -26 | -178.7 | -164.7 | 0 | 0 | 0 | 0 | 113.5 | V470 | V470-S472 PolarHBondContact O-N 2.76Š|
| 473 | V | 47.8 | Very low | 46.9 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -29.1 | -172.7 | -175.9 | 0 | 0 | 0 | 0 | 112.5 | A475 | V473-A475 VanDerWaalsContact C-N 3.28Å; V473-A475 PolarHBondContact O-N 3.36Å |
| 474 | L | 46.1 | Very low | 46 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -2.7 | 178.8 | -73.1 | 170.3 | 0 | 0 | 0 | 114.2 | ||
| 475 | A | 49.8 | Very low | 45.2 | Very low | 80 Ų | 80 | 142.1 Ų | 142.1 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -4.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | V473 | V473-A475 VanDerWaalsContact C-N 3.28Å; V473-A475 PolarHBondContact O-N 3.36Å |
| 476 | N | 51 | Low | 44.2 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -128.1 | 16.6 | -163.7 | -115.8 | -6.1 | 0 | 0 | 0 | 115.9 | ||
| 477 | I | 46.3 | Very low | 43.9 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -124.6 | 59.9 | 173.8 | -45.2 | -178.7 | 0 | 0 | 0 | 109.6 | ||
| 478 | G | 43.9 | Very low | 43.4 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -137.8 | 14.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 479 | A | 47.5 | Very low | 43 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -143.4 | 32.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 480 | A | 50.3 | Low | 42 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -157.7 | 84 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 481 | L | 38.8 | Very low | 41.6 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -176.6 | 137.3 | 146.2 | -102 | 173.5 | 0 | 0 | 0 | 109.2 | ||||
| 482 | P | 46.8 | Very low | 41.6 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -93.9 | 143.3 | 178.2 | 35.4 | -31.6 | 0 | 0 | 0 | 112.5 | ||||
| 483 | C | 37.1 | Very low | 41 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 91% | 0.912 | 77% | 0.773 | S | S | * | * | trans | -118.1 | 107.5 | 175.4 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 484 | M | 31.1 | Very low | 40.2 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 86% | 0.862 | 78% | 0.775 | S | S | * | * | trans | -104.2 | 147.5 | 152.8 | 58.1 | -165.6 | -69.1 | 0 | 0 | 106.7 | ||||
| 485 | S | 34.4 | Very low | 39.7 | Very low | 84 Ų | 84 | 128.1 Ų | 128.1 | 59% | 0.587 | 78% | 0.778 | S | S | * | * | cis | -161.4 | -168.3 | -2.5 | 38 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 486 | D | 30.4 | Very low | 38.7 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 80.7 | 90.6 | 152.9 | -54.4 | -51.3 | 0 | 0 | 0 | 121.4 | ||||
| 487 | W | 35.6 | Very low | 37.9 | Very low | 238 Ų | 238 | 128.6 Ų | 128.6 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | 97.5 | 145.5 | 115.1 | -153.2 | -94.2 | 0 | 0 | 0 | 120.4 | |||||
| 488 | S | 34.2 | Very low | 37.3 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 55% | 0.552 | 77% | 0.769 | S | S | * | * | trans | -98.2 | 154.4 | -167 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 489 | S | 41.5 | Very low | 36.8 | Very low | 126 Ų | 126 | 132 Ų | 132 | 88% | 0.881 | 77% | 0.773 | S | S | * | * | -175 | 133 | 122.6 | 49.5 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 490 | G | 31.2 | Very low | 36.2 | Very low | 82 Ų | 82 | 133 Ų | 133 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | 153.4 | 72.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 491 | L | 39.1 | Very low | 35.9 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | -99.8 | 175 | 170.5 | -70.2 | 173.6 | 0 | 0 | 0 | 110.2 | ||||
| 492 | P | 47.3 | Very low | 35.8 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 62% | 0.617 | 75% | 0.746 | S | S | * | * | cis | -133.1 | 159.4 | -34.4 | 33 | -16.4 | 0 | 0 | 0 | 113.9 | ||||
| 493 | R | 31 | Very low | 35.3 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | trans | -162.6 | 113.3 | 152.2 | -121.4 | 166.1 | 172.3 | 152.9 | -2.2 | 108.2 | ||||
| 494 | V | 31.1 | Very low | 35 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 70% | 0.697 | 74% | 0.74 | S | S | * | * | 58.8 | 81.1 | 67.6 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 495 | T | 34.8 | Very low | 35 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | trans | -117.5 | 138.1 | 156.1 | 41.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 496 | V | 30.3 | Very low | 34.8 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 76% | 0.758 | 74% | 0.742 | S | S | * | * | trans | -89.6 | 134.2 | 175 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 497 | S | 32.3 | Very low | 34.8 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -129.4 | 133.9 | 159.8 | 51 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 498 | H | 34.7 | Very low | 34.6 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 57% | 0.574 | 73% | 0.733 | S | S | * | * | trans | -84.3 | 127.7 | 175.7 | -93.3 | -67.1 | 0 | 0 | 0 | 110.3 | R313 | R313-H498 PolarHBondContact NH2-CD2 2.87Å; R313-H498 PolarHBondContact NH2-CE1 2.85Å; R313-H498 PolarHBondContact NH2-NE2 2.95Å | ||
| 499 | H | 33.6 | Very low | 34.6 | Very low | 193 Ų | 193 | 135 Ų | 135 | 89% | 0.894 | 75% | 0.748 | S | S | * | * | trans | -148.6 | 142.9 | 136.9 | -117.3 | -74.4 | 0 | 0 | 0 | 110.4 | ||||
| 500 | D | 34.9 | Very low | 34.3 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | trans | -164.7 | 161.6 | -165.3 | -172.3 | 54.7 | 0 | 0 | 0 | 107.4 | ||||
| 501 | P | 44.8 | Very low | 34.5 | Very low | 84 Ų | 84 | 140 Ų | 140 | 55% | 0.545 | 74% | 0.738 | S | S | . | * | cis | -110.8 | -174.5 | -21.9 | 19.8 | 2.6 | 0 | 0 | 0 | 111.1 | ||||
| 502 | E | 35.4 | Very low | 34.9 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | 175.1 | 96.6 | 130.8 | -95.6 | -64.6 | 149.5 | 0 | 0 | 108.7 | ||||
| 503 | V | 36.5 | Very low | 34.8 | Very low | 130 Ų | 130 | 138 Ų | 138 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | trans | -116.1 | 125.7 | 169 | 171.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 504 | T | 31.9 | Very low | 34.8 | Very low | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | -123.2 | 118.5 | 167.4 | 39 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 505 | F | 29.8 | Very low | 35 | Very low | 187 Ų | 187 | 136.9 Ų | 136.9 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | trans | -108.1 | 166.3 | 164.2 | -116.3 | -92.4 | 0 | 0 | 0 | 108.3 | ||||
| 506 | N | 30.3 | Very low | 34.8 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | trans | 79.3 | 109.1 | 160.2 | -64.6 | -10.8 | 0 | 0 | 0 | 121.2 | ||||
| 507 | H | 30.9 | Very low | 34.9 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | 72.1 | 109.6 | 118.6 | -72.9 | -62.2 | 0 | 0 | 0 | 124 | |||||
| 508 | S | 31.7 | Very low | 34.6 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | 103.1 | 131.3 | 116.6 | -65.4 | 0 | 0 | 0 | 0 | 122 | |||||
| 509 | F | 34.6 | Very low | 34.6 | Very low | 197 Ų | 197 | 139.3 Ų | 139.3 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | 69.7 | 134.7 | 155.6 | -91 | -128.5 | 0 | 0 | 0 | 116.8 | ||||
| 510 | I | 35.3 | Very low | 34.5 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | cis | -138.5 | 154 | 15.3 | -68.2 | -174.4 | 0 | 0 | 0 | 112.3 | ||||
| 511 | E | 34.8 | Very low | 34.4 | Very low | 173 Ų | 173 | 137 Ų | 137 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | -15.5 | 172.4 | 158.3 | -67.4 | -168.2 | 120.4 | 0 | 0 | 122.8 | ||||
| 512 | P | 47.2 | Very low | 33.9 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | cis | -134.5 | -177.9 | -34.4 | 39.5 | -22.6 | 0 | 0 | 0 | 112.1 | ||||
| 513 | P | 44.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | -150.5 | 150.1 | 90.4 | 38.3 | -20.2 | 0 | 0 | 0 | 117 | |||||
| 514 | S | 31.9 | Very low | 33.4 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 40 | 104.1 | 140.7 | -52.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 515 | S | 34 | Very low | 33.3 | Very low | 133 Ų | 133 | 140 Ų | 140 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -140.3 | 160.4 | 139.2 | 60.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 516 | G | 31.4 | Very low | 33.5 | Very low | 62 Ų | 62 | 136 Ų | 136 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | trans | -148.4 | 154 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 517 | W | 31.6 | Very low | 33.6 | Very low | 236 Ų | 236 | 136.4 Ų | 136.4 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | trans | 53.3 | 100.4 | 166 | -57.6 | 91.8 | 0 | 0 | 0 | 117.4 | ||||
| 518 | V | 27.7 | Very low | 33.8 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -125.6 | 137.6 | 130.2 | -169.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 519 | T | 32.9 | Very low | 34 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | trans | -129.6 | 119.5 | 175.1 | -57.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 520 | E | 31.9 | Very low | 34.1 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -139.1 | 156 | 157.4 | -73.4 | -157.3 | 156.4 | 0 | 0 | 108.7 | ||||
| 521 | G | 34 | Very low | 34 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -168.5 | 135.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 522 | S | 32.5 | Very low | 33.9 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -158.2 | 121.2 | 157.9 | 41 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 523 | S | 35.6 | Very low | 33.2 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | 64.6 | 103.2 | 69.1 | -176 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 524 | F | 26.3 | Very low | 32.4 | Very low | 213 Ų | 213 | 138.5 Ų | 138.5 | 93% | 0.934 | 80% | 0.795 | S | S | * | * | trans | -142.4 | 157.1 | 138.2 | -114.2 | -78.7 | 0 | 0 | 0 | 108.6 | ||||
| 525 | D | 30.3 | Very low | 32.2 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -111.3 | 159.3 | -161.7 | -136.1 | -52.3 | 0 | 0 | 0 | 112.6 | ||||
| 526 | S | 33.2 | Very low | 31.8 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 151.3 | 142.9 | 168.9 | -69.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 527 | D | 33 | Very low | 31.8 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | cis | -172.6 | 149.4 | -35.5 | -115.9 | -41 | 0 | 0 | 0 | 106.9 | ||||
| 528 | E | 35.3 | Very low | 33 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | 58.2 | 171.7 | 164.8 | -64.3 | 173.3 | 168.8 | 0 | 0 | 116.7 | ||||
| 529 | E | 36.1 | Very low | 33.7 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | cis | -145.7 | -178.3 | -49.3 | -177.5 | 164.8 | 159.1 | 0 | 0 | 106.9 | ||||
| 530 | E | 35.9 | Very low | 33.9 | Very low | 194 Ų | 194 | 141.7 Ų | 141.7 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | trans | 70.4 | 148.4 | 174.1 | -52 | -172.8 | 131.4 | 0 | 0 | 117 | ||||
| 531 | G | 33.8 | Very low | 33.8 | Very low | 65 Ų | 65 | 141.6 Ų | 141.6 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | cis | 153.8 | 95.7 | -9.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 532 | E | 32.6 | Very low | 33.5 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 94% | 0.944 | 77% | 0.771 | S | S | * | * | trans | 59.7 | 160.6 | 158.6 | -64.1 | -164.6 | 149.3 | 0 | 0 | 119.2 | ||||
| 533 | A | 33 | Very low | 33.4 | Very low | 72 Ų | 72 | 145.7 Ų | 145.7 | 60% | 0.595 | 77% | 0.772 | S | S | * | * | cis | -167.2 | 168 | -32.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 534 | L | 27.5 | Very low | 33.9 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | 63.9 | 156.4 | 153.5 | -66.3 | 160 | 0 | 0 | 0 | 119 | ||||
| 535 | Y | 26.7 | Very low | 34.2 | Very low | 203 Ų | 203 | 141.1 Ų | 141.1 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | cis | -163.7 | 148.2 | -32.4 | -154 | -129.8 | 0 | 0 | 0 | 111.2 | ||||
| 536 | C | 26.3 | Very low | 34.4 | Very low | 85 Ų | 85 | 141.9 Ų | 141.9 | 57% | 0.574 | 78% | 0.778 | S | S | * | * | trans | 46.6 | 128.5 | 151.2 | -80.8 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 537 | V | 31.9 | Very low | 34.4 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | 84.5 | 136.7 | 126.6 | 172 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 538 | P | 56 | Low | 34.2 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -107.4 | 173 | -178.4 | 42.1 | -37 | 0 | 0 | 0 | 115 | ||||
| 539 | P | 42.4 | Very low | 33.9 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -129.9 | 175.3 | 146.2 | 37.8 | -25.6 | 0 | 0 | 0 | 114.3 | ||||
| 540 | R | 36.4 | Very low | 33.5 | Very low | 217 Ų | 217 | 136 Ų | 136 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | -116.8 | 154.3 | 167 | -62.6 | 172.8 | 63.5 | 163.1 | 1.7 | 108.5 | ||||
| 541 | E | 30.5 | Very low | 33.1 | Very low | 190 Ų | 190 | 136.7 Ų | 136.7 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | 171.4 | 170 | 155 | -100.2 | 156.7 | -150 | 0 | 0 | 108.6 | ||||
| 542 | D | 27.6 | Very low | 33.1 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 63% | 0.631 | 81% | 0.805 | S | S | * | * | -164.4 | 144.6 | -80.4 | -103.5 | -42.2 | 0 | 0 | 0 | 108.9 | |||||
| 543 | I | 31.2 | Very low | 32.9 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | 69.2 | 161.8 | 157.1 | -67.1 | 165.1 | 0 | 0 | 0 | 115.2 | ||||
| 544 | P | 45.6 | Very low | 32.7 | Very low | 125 Ų | 125 | 145 Ų | 145 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | cis | -118.8 | -173.8 | 0.2 | 20.5 | 5 | 0 | 0 | 0 | 116.3 | ||||
| 545 | A | 33 | Very low | 32.8 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -116.3 | 166.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 546 | V | 33.8 | Very low | 33 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -141.1 | 154.1 | 163.6 | 173.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 547 | A | 33.3 | Very low | 33.1 | Very low | 97 Ų | 97 | 144 Ų | 144 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -65.1 | 167.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 548 | G | 29.4 | Very low | 32.9 | Very low | 82 Ų | 82 | 142.1 Ų | 142.1 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | cis | 136.7 | 131.8 | -0.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 549 | G | 29.2 | Very low | 31.7 | Very low | 83 Ų | 83 | 145.1 Ų | 145.1 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | 168.6 | 140 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 550 | E | 26.8 | Very low | 31 | Very low | 192 Ų | 192 | 145.6 Ų | 145.6 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -76.1 | 141.8 | -169.4 | -62.6 | 158.4 | 101.4 | 0 | 0 | 113.7 | ||||
| 551 | F | 29 | Very low | 30.5 | Very low | 209 Ų | 209 | 143.9 Ų | 143.9 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -152.1 | 171.1 | 136 | -121.9 | -82.9 | 0 | 0 | 0 | 111 | ||||
| 552 | Q | 32.1 | Very low | 30.4 | Very low | 182 Ų | 182 | 141 Ų | 141 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -97.4 | 114.9 | -155.1 | -179.4 | -179.6 | 1.7 | 0 | 0 | 113.1 | ||||
| 553 | E | 29.6 | Very low | 30.5 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -129.8 | 151.7 | 173.2 | -166.7 | 160.6 | -145.5 | 0 | 0 | 113.7 | ||||
| 554 | M | 28.2 | Very low | 30.6 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -86.1 | 161.5 | -169.9 | 59 | -150.5 | 135.8 | 0 | 0 | 114.6 | ||||
| 555 | S | 29 | Very low | 29.8 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | 95.7 | 108.8 | 166 | -154.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 556 | S | 32.1 | Very low | 29.6 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 55.5 | 108.7 | 153.3 | 61.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 557 | K | 28.6 | Very low | 29.3 | Very low | 205 Ų | 205 | 141.2 Ų | 141.2 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -139.6 | 145.4 | 155.5 | -155.4 | 163.2 | -172.2 | 171.6 | 0 | 113.3 | ||||
| 558 | C | 27.1 | Very low | 29.1 | Very low | 90 Ų | 90 | 141.6 Ų | 141.6 | 61% | 0.608 | 80% | 0.798 | S | S | * | * | trans | -47 | 164.5 | -170.4 | -44.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 559 | N | 30.4 | Very low | 29.2 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | -133.2 | 161.4 | 126.3 | -99.3 | -42.3 | 0 | 0 | 0 | 109.9 | |||||
| 560 | M | 28.3 | Very low | 29.3 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | -131.7 | 162.2 | -168.3 | -63.2 | 176.7 | 160.1 | 0 | 0 | 112.3 | ||||
| 561 | F | 26 | Very low | 29.6 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | 66.2 | 160.4 | 153.4 | -64.4 | -42.8 | 0 | 0 | 0 | 117.2 | ||||
| 562 | L | 28.8 | Very low | 29.7 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | cis | -153.1 | 162.1 | -10 | -121.2 | 166.5 | 0 | 0 | 0 | 110 | ||||
| 563 | D | 29.1 | Very low | 29.6 | Very low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | 57.5 | 157.6 | 166.7 | -68 | -45.1 | 0 | 0 | 0 | 119.5 | ||||
| 564 | P | 33.6 | Very low | 30 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | -141.8 | 130.4 | 102.3 | 35.6 | -20.9 | 0 | 0 | 0 | 115.6 | |||||
| 565 | S | 28.9 | Very low | 30.1 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -127.4 | 139.7 | 147.2 | -65.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 566 | G | 29.5 | Very low | 30.2 | Very low | 62 Ų | 62 | 134.6 Ų | 134.6 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | cis | 161.8 | 157.8 | -5.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 567 | F | 26.6 | Very low | 30.1 | Very low | 210 Ų | 210 | 135.9 Ų | 135.9 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | -145.9 | 108.8 | 166.7 | -82.2 | -75.3 | 0 | 0 | 0 | 108.4 | ||||
| 568 | S | 28.7 | Very low | 30.1 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | 63.2 | 107.1 | 110.1 | -157.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 569 | S | 32.8 | Very low | 30.7 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | 60.8 | 114.1 | 73 | -154.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 570 | E | 30.8 | Very low | 30.8 | Very low | 192 Ų | 192 | 139 Ų | 139 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | -141.3 | 167.5 | 70.5 | -69 | 148.5 | 177.2 | 0 | 0 | 114 | |||||
| 571 | D | 32.4 | Very low | 31.1 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 65% | 0.652 | 78% | 0.779 | S | S | * | * | cis | -161.1 | 157.7 | -40.7 | -147.8 | -6.8 | 0 | 0 | 0 | 112.8 | ||||
| 572 | I | 31.7 | Very low | 31.6 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | trans | 58.5 | 133.1 | 155.8 | -73.2 | 152.8 | 0 | 0 | 0 | 123.8 | ||||
| 573 | A | 30.5 | Very low | 32.1 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | 61.2 | 124.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 574 | S | 36.9 | Very low | 32.4 | Very low | 123 Ų | 123 | 138 Ų | 138 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | -167 | 172.1 | 54.3 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 575 | S | 30.8 | Very low | 32.6 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | -109.3 | 155.9 | -174.4 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 576 | F | 30.2 | Very low | 32.9 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | 166 | 108.8 | 147 | -84.9 | -62.2 | 0 | 0 | 0 | 108.4 | ||||
| 577 | N | 29.7 | Very low | 33 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | 74.3 | 104.1 | 82 | -86.7 | -56.5 | 0 | 0 | 0 | 117.2 | |||||
| 578 | I | 28.8 | Very low | 33.3 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -136 | 143.3 | 150.6 | -71.4 | -169.6 | 0 | 0 | 0 | 107.3 | ||||
| 579 | P | 40.5 | Very low | 33.7 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 166.9 | -145.4 | 38.2 | -36.9 | 0 | 0 | 0 | 117.1 | ||
| 580 | R | 32.6 | Very low | 34.5 | Very low | 243 Ų | 243 | 148.6 Ų | 148.6 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 148.6 | 170.7 | -64.8 | 174.9 | 167.2 | 93.8 | -2.5 | 112.2 | ||
| 581 | T | 35.4 | Very low | 34.8 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 152.4 | 150.4 | 50.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 582 | S | 36.1 | Very low | 34.9 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -121.6 | 153.7 | -171.9 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 583 | S | 39.2 | Very low | 35.3 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -138.6 | 149.1 | 173.3 | 45 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 584 | N | 34.9 | Very low | 35.5 | Very low | 165 Ų | 165 | 149.7 Ų | 149.7 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -79.2 | 165 | -176.4 | -76.4 | -44.9 | 0 | 0 | 0 | 112.5 | ||||
| 585 | A | 37.5 | Very low | 35.6 | Very low | 84 Ų | 84 | 147.8 Ų | 147.8 | 69% | 0.694 | 81% | 0.813 | S | S | * | * | cis | 179.9 | -173.7 | -18.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 586 | K | 34.9 | Very low | 35.7 | Very low | 198 Ų | 198 | 152.6 Ų | 152.6 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | 97.2 | 140.7 | 151.1 | -78.1 | -178.6 | 172.9 | 175.8 | 0 | 121.7 | ||||
| 587 | S | 31.8 | Very low | 35.8 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | 73.9 | 150.5 | 166.6 | 81 | 0 | 0 | 0 | 0 | 116 | ||||
| 588 | K | 33 | Very low | 36 | Very low | 204 Ų | 204 | 146.8 Ų | 146.8 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | cis | -149.8 | 164.9 | 2.9 | -138.3 | 165.4 | -175.8 | 179.3 | 0 | 110.3 | ||||
| 589 | R | 36.8 | Very low | 36.2 | Very low | 234 Ų | 234 | 148.7 Ų | 148.7 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -82.2 | 162.1 | 170.3 | -107.8 | -175.1 | -172.4 | -167.8 | 3.3 | 110.2 | ||||
| 590 | P | 49.2 | Very low | 35.7 | Very low | 107 Ų | 107 | 152 Ų | 152 | 70% | 0.695 | 82% | 0.821 | S | S | * | * | -153.2 | 172.2 | 55.7 | 42.2 | -21.9 | 0 | 0 | 0 | 119.8 | |||||
| 591 | S | 38.6 | Very low | 35.6 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | 59.1 | 156.5 | 154.7 | 50.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 592 | V | 33.3 | Very low | 36.5 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | cis | -132.3 | -175.3 | 6.8 | -136 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 593 | S | 40.4 | Very low | 36.3 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -114.1 | 157.1 | -174.3 | -50.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 594 | F | 34.2 | Very low | 36.1 | Very low | 212 Ų | 212 | 146.2 Ų | 146.2 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -174.5 | 142.5 | 137.5 | -107.1 | -68.2 | 0 | 0 | 0 | 113.2 | ||||
| 595 | A | 39.5 | Very low | 36.2 | Very low | 83 Ų | 83 | 148.4 Ų | 148.4 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | trans | 54.7 | 150.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 596 | E | 33.7 | Very low | 36.2 | Very low | 196 Ų | 196 | 156 Ų | 156 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | cis | -150.8 | -174.5 | -14 | -131.3 | 180 | 113 | 0 | 0 | 111.8 | ||||
| 597 | G | 32.3 | Very low | 35.9 | Very low | 61 Ų | 61 | 150 Ų | 150 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | -75.1 | 165.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 598 | T | 33.2 | Very low | 36.1 | Very low | 150 Ų | 150 | 151.3 Ų | 151.3 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | -161.6 | 167.2 | 77.1 | 27.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 599 | R | 33.3 | Very low | 36.2 | Very low | 210 Ų | 210 | 144.8 Ų | 144.8 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -83.3 | 164.5 | 172.9 | -69.1 | 176.4 | 173.5 | 168.2 | -2.7 | 109.9 | ||||
| 600 | F | 29.3 | Very low | 36 | Very low | 190 Ų | 190 | 143.4 Ų | 143.4 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | cis | -153.5 | 164.7 | 43.1 | -84 | -93.9 | 0 | 0 | 0 | 114.9 | ||||
| 601 | S | 31.4 | Very low | 35.2 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -90.6 | -170 | 167.6 | -32.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 602 | P | 53.4 | Low | 35.7 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | cis | -122.9 | -161.9 | -0.1 | 38.2 | -15.8 | 0 | 0 | 0 | 111.7 | ||||
| 603 | K | 32.7 | Very low | 35.5 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | cis | -169.7 | 160.2 | 38.2 | -149.6 | 176.2 | 176.3 | 179.4 | 0 | 113.6 | ||||
| 604 | E | 35.2 | Very low | 35.1 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 57% | 0.565 | 80% | 0.802 | S | S | * | * | trans | -4 | 156.2 | 153.2 | -59.3 | 179 | 109.9 | 0 | 0 | 120.6 | ||||
| 605 | R | 36.6 | Very low | 36.5 | Very low | 210 Ų | 210 | 138.7 Ų | 138.7 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | cis | -163.6 | -177.2 | 11.2 | -130.1 | 174.4 | -142.8 | -146.6 | 8.3 | 113.8 | ||||
| 606 | R | 37.1 | Very low | 37 | Very low | 244 Ų | 244 | 141 Ų | 141 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -54.3 | 160.7 | 164.7 | -47.7 | 167.6 | -171.2 | 178 | 0.4 | 112.4 | ||||
| 607 | G | 29.8 | Very low | 37 | Very low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | cis | 134.4 | 164.3 | -2.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 608 | S | 35.7 | Very low | 37.2 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 97% | 0.972 | 80% | 0.798 | S | S | * | * | trans | 73.9 | 138.1 | 165.1 | -155 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 609 | G | 33.7 | Very low | 37.2 | Very low | 67 Ų | 67 | 147.2 Ų | 147.2 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 159.2 | 74.1 | 166 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 610 | Q | 33.3 | Very low | 37.6 | Very low | 205 Ų | 205 | 141.3 Ų | 141.3 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | trans | 61.7 | 148.3 | 141.3 | -70.6 | 168.4 | -23.7 | 0 | 0 | 125.3 | ||||
| 611 | D | 32.4 | Very low | 37.6 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -67.1 | -177.7 | 164.8 | -87 | -69.3 | 0 | 0 | 0 | 114.1 | ||||
| 612 | P | 50.1 | Low | 38.3 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | cis | -136.9 | -176.1 | 7.4 | 42.4 | -24.7 | 0 | 0 | 0 | 116.4 | ||||
| 613 | G | 27.2 | Very low | 38.6 | Very low | 75 Ų | 75 | 142.9 Ų | 142.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 164.4 | 151.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 614 | A | 33.7 | Very low | 38.4 | Very low | 100 Ų | 100 | 147 Ų | 147 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -140 | -157.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 615 | P | 62.4 | Low | 38.4 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | -99.4 | 168.8 | -123.3 | 41.3 | -30.9 | 0 | 0 | 0 | 116.1 | |||||
| 616 | P | 50.5 | Low | 38.5 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | -137.4 | -146.8 | 114.7 | 36.4 | -22.3 | 0 | 0 | 0 | 116.4 | |||||
| 617 | R | 33.7 | Very low | 38.7 | Very low | 217 Ų | 217 | 136.6 Ų | 136.6 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | -170.5 | 151.4 | -123.2 | -172.2 | -179.8 | -178.3 | -165.8 | 3.4 | 115.1 | |||||
| 618 | N | 35.8 | Very low | 39.1 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 65% | 0.652 | 81% | 0.807 | S | S | * | * | trans | 70.8 | 123.6 | 163.4 | -70.9 | -24.1 | 0 | 0 | 0 | 121.5 | ||||
| 619 | K | 34.5 | Very low | 39 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | 40.1 | 151.9 | 125.1 | -56.2 | -178.1 | -179.1 | -175.1 | 0 | 121.7 | |||||
| 620 | A | 40.2 | Very low | 38.9 | Very low | 86 Ų | 86 | 143 Ų | 143 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | cis | 175.5 | 152.2 | -19.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 621 | K | 30.6 | Very low | 39 | Very low | 212 Ų | 212 | 137.5 Ų | 137.5 | 92% | 0.922 | 79% | 0.791 | S | S | * | * | trans | 168.8 | 165 | 150.5 | -97.3 | 164.8 | -177.3 | -175.4 | 0 | 114.4 | ||||
| 622 | T | 44.9 | Very low | 39.1 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -115.1 | -170.2 | 176.6 | 51.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 623 | P | 60.6 | Low | 38.7 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | cis | -155.7 | -159.9 | 22.1 | 47.4 | -23.2 | 0 | 0 | 0 | 119.9 | ||||
| 624 | W | 28.9 | Very low | 39.2 | Very low | 253 Ų | 253 | 141.5 Ų | 141.5 | 96% | 0.958 | 79% | 0.79 | S | S | * | * | trans | 74.2 | 155.1 | 167.4 | -70.6 | 28.4 | 0 | 0 | 0 | 119.7 | ||||
| 625 | G | 35.3 | Very low | 39.6 | Very low | 62 Ų | 62 | 146.4 Ų | 146.4 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | cis | 159.1 | 115.4 | -19.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 626 | V | 37.3 | Very low | 38.1 | Very low | 146 Ų | 146 | 145 Ų | 145 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | 58.2 | 168.6 | 166.8 | -65.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 627 | L | 41.5 | Very low | 37.2 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | cis | -132.1 | -178.1 | 12.4 | -75.4 | 168.2 | 0 | 0 | 0 | 111.3 | ||||
| 628 | M | 39.1 | Very low | 37.4 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | cis | 83.5 | 140.1 | 20.1 | -48.2 | -61 | -110.1 | 0 | 0 | 116.5 | ||||
| 629 | L | 33 | Very low | 37.1 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | cis | -163.6 | -174.8 | 5.6 | -154.3 | 64.4 | 0 | 0 | 0 | 113.3 | ||||
| 630 | S | 32.8 | Very low | 36.9 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 89.7 | 156.8 | 160.5 | -56.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 631 | A | 33.7 | Very low | 36.5 | Very low | 88 Ų | 88 | 139.7 Ų | 139.7 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | cis | -175.2 | 168.3 | -29.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 632 | L | 35.9 | Very low | 36.4 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | 93.1 | 150.1 | 152.1 | -117.1 | 91.8 | 0 | 0 | 0 | 124.9 | ||||
| 633 | Q | 41 | Very low | 35.6 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | 82.6 | 150.2 | 156 | -131.3 | 164.2 | 1.6 | 0 | 0 | 120.8 | ||||
| 634 | S | 37 | Very low | 34 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | 174.7 | 102.6 | -68.2 | 165.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 635 | Q | 42.7 | Very low | 34.1 | Very low | 202 Ų | 202 | 130.3 Ų | 130.3 | 94% | 0.944 | 79% | 0.786 | S | S | * | * | trans | 169.1 | 157.2 | 149.9 | -100.3 | 168.9 | 0.8 | 0 | 0 | 111.2 | ||||
| 636 | G | 31.5 | Very low | 33.8 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | 95.3 | 148.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 637 | G | 31.4 | Very low | 33.8 | Very low | 66 Ų | 66 | 126.2 Ų | 126.2 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | trans | -134.5 | 142 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 638 | T | 37.5 | Very low | 33.2 | Very low | 151 Ų | 151 | 127.1 Ų | 127.1 | 93% | 0.926 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 59.8 | 154.7 | 167.7 | 35.2 | 0 | 0 | 0 | 0 | 118.9 | ||
| 639 | A | 28.6 | Very low | 32.8 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | 59.6 | 119.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 640 | R | 30.4 | Very low | 32.6 | Very low | 196 Ų | 196 | 128.3 Ų | 128.3 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | trans | -170 | 70.7 | 149.5 | -115.9 | 178.7 | 175.7 | 165.7 | 2.7 | 112.9 | E644 | R640-E644 IonicContact CZ-OE2 2.67Å; R640-E644 IonicContact NH2-OE1 3.76Å; R640-E644 IonicContact NH2-OE2 3.93Å; R640-E644 PolarHBondContact NH2-OE2 2.83Å | ||
| 641 | T | 33.6 | Very low | 32.3 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -72.9 | 175.8 | 132.6 | 32.8 | 0 | 0 | 0 | 0 | 108.7 | E643 | T641-E643 PolarHBondContact O-N 3.03Š|
| 642 | G | 27.5 | Very low | 32.1 | Very low | 86 Ų | 86 | 133.6 Ų | 133.6 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -67.2 | 102.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 643 | E | 28.8 | Very low | 31.5 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 50% | 0.495 | 74% | 0.744 | S | S | . | * | trans | -144.6 | 151.3 | 155.4 | -78.1 | 169.9 | 72 | 0 | 0 | 105.7 | T641 G646 A647 | T641-E643 PolarHBondContact O-N 3.03Å; E643-G646 WeakPolarHBondContact OE1-CA 3.42Å; E643-A647 PolarHBondContact OE1-N 2.89Å | ||
| 644 | E | 26.6 | Very low | 30.7 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | S | Bend | cis | -84.6 | 156.6 | 16.5 | -55 | 99.5 | 128.6 | 0 | 0 | 115.3 | R640 | R640-E644 IonicContact CZ-OE2 2.67Å; R640-E644 IonicContact NH2-OE1 3.76Å; R640-E644 IonicContact NH2-OE2 3.93Å; R640-E644 PolarHBondContact NH2-OE2 2.83Å |
| 645 | D | 31.6 | Very low | 30.2 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | S | Bend | cis | -122.9 | 131.8 | 0.9 | -54 | -80.7 | 0 | 0 | 0 | 110.3 | ||
| 646 | G | 29.1 | Very low | 29.4 | Very low | 57 Ų | 57 | 127.5 Ų | 127.5 | 59% | 0.588 | 73% | 0.734 | S | S | * | * | cis | 167.9 | 163 | -10.4 | 0 | 0 | 0 | 0 | 0 | 113 | E643 | E643-G646 WeakPolarHBondContact OE1-CA 3.42Š| ||
| 647 | A | 36.8 | Very low | 29.2 | Very low | 64 Ų | 64 | 131.7 Ų | 131.7 | 53% | 0.529 | 73% | 0.73 | S | S | . | * | trans | 120.9 | 128.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | E643 | E643-A647 PolarHBondContact OE1-N 2.89Š| ||
| 648 | E | 29.4 | Very low | 28.9 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | 28.2 | 149.3 | 155.6 | -67.6 | 84.6 | -85.1 | 0 | 0 | 124.3 | ||||
| 649 | E | 29.6 | Very low | 28.3 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | cis | -170.1 | 174.8 | -37.3 | -128.1 | 178.7 | 172.1 | 0 | 0 | 112 | ||||
| 650 | E | 28.6 | Very low | 28.1 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | trans | 37.6 | 141.7 | 159.5 | -61.3 | -147.2 | 125.6 | 0 | 0 | 127 | ||||
| 651 | E | 26.8 | Very low | 27.9 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 67% | 0.673 | 73% | 0.725 | S | S | * | * | trans | 53.2 | 159.6 | 143.4 | -73.2 | -139.9 | 143.7 | 0 | 0 | 123.2 | ||||
| 652 | R | 28.8 | Very low | 27.5 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 64% | 0.638 | 72% | 0.717 | S | S | * | * | cis | 178.5 | 157.2 | -27.3 | 171.1 | 169.8 | 168.4 | -154.1 | -19.8 | 112.3 | ||||
| 653 | D | 24.5 | Very low | 27.2 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 59% | 0.588 | 72% | 0.715 | S | S | * | * | trans | 58.3 | 162.7 | 165.5 | -65.2 | -6.5 | 0 | 0 | 0 | 115.7 | ||||
| 654 | D | 23.7 | Very low | 27 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | cis | -146.6 | -170.3 | -14.7 | -135.3 | -42.8 | 0 | 0 | 0 | 112.4 | ||||
| 655 | A | 27.4 | Very low | 26.8 | Very low | 77 Ų | 77 | 136.4 Ų | 136.4 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | trans | -91.6 | -167.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 656 | E | 25.8 | Very low | 26.5 | Very low | 181 Ų | 181 | 133.4 Ų | 133.4 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | trans | 70.8 | 161.4 | 160.1 | -71.3 | -173.7 | 153.6 | 0 | 0 | 118.9 | ||||
| 657 | E | 25.7 | Very low | 26.2 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | cis | -159.9 | 144.2 | -31.9 | -178 | -173.6 | -147.3 | 0 | 0 | 109.3 | ||||
| 658 | G | 25.2 | Very low | 25.6 | Very low | 61 Ų | 61 | 137.3 Ų | 137.3 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | trans | 79.4 | 163.8 | 137.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 659 | Q | 26.3 | Very low | 25.4 | Very low | 197 Ų | 197 | 137.7 Ų | 137.7 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | trans | 63.9 | 164.4 | 162 | -54.3 | -177.4 | 15.8 | 0 | 0 | 118.6 | ||||
| 660 | A | 24.5 | Very low | 25.1 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | cis | -172.2 | 168.2 | -49.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 661 | M | 25 | Very low | 25.1 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 80% | 0.803 | 73% | 0.728 | S | S | * | * | trans | 78.6 | 159.1 | 147.6 | -155.9 | 120.7 | 155 | 0 | 0 | 120.2 | ||||
| 662 | E | 25 | Very low | 25.1 | Very low | 139 Ų | 139 | 135 Ų | 135 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | trans | 67.2 | 95.5 | 158.7 | -86.5 | 156.2 | -144.2 | 0 | 0 | 121.3 | ||||
| 663 | T | 22.2 | Very low | 25.1 | Very low | 137 Ų | 137 | 135 Ų | 135 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | -68.2 | 130.3 | 121 | 43.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 664 | Q | 24.6 | Very low | 25.2 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 65% | 0.654 | 75% | 0.751 | S | S | * | * | trans | -152.8 | 134.2 | 142.5 | -117.2 | 176.1 | -82.9 | 0 | 0 | 110.2 | ||||
| 665 | E | 23 | Very low | 25.4 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | 54.6 | 150.9 | 124.7 | -84.6 | 178.5 | 166.6 | 0 | 0 | 121.3 | |||||
| 666 | S | 23.9 | Very low | 25.3 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | cis | -157.7 | -177.6 | 4.2 | -168.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 667 | S | 24.4 | Very low | 25.3 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | 83.9 | 92.3 | 147.3 | -150.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 668 | C | 22.3 | Very low | 25.3 | Very low | 105 Ų | 105 | 136 Ų | 136 | 71% | 0.709 | 74% | 0.744 | S | S | * | * | 57.3 | 130 | 111.9 | -61.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 669 | E | 25.3 | Very low | 26.5 | Very low | 175 Ų | 175 | 138 Ų | 138 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | 88.7 | 114.5 | 133.1 | -74.8 | -174.2 | 164.8 | 0 | 0 | 122.1 | ||||
| 670 | V | 24.8 | Very low | 26.5 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 70% | 0.697 | 74% | 0.738 | S | S | * | * | 86.2 | 117.1 | 121.3 | 172.2 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 671 | L | 29 | Very low | 26.7 | Very low | 137 Ų | 137 | 137 Ų | 137 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | 71.2 | 109.4 | 155.8 | -65.1 | 167.4 | 0 | 0 | 0 | 121.2 | ||||
| 672 | E | 26.4 | Very low | 26.7 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | 54.7 | 136.5 | 123.8 | -59.6 | -170.3 | 123.5 | 0 | 0 | 123.7 | |||||
| 673 | Q | 28.3 | Very low | 26.7 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | 110.8 | 103 | 130.4 | -142.9 | 156 | 81.4 | 0 | 0 | 120 | ||||
| 674 | E | 25.5 | Very low | 27.7 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | trans | 68.6 | 150.5 | 137.3 | -70.5 | -70.7 | 104.1 | 0 | 0 | 124.2 | ||||
| 675 | A | 28.8 | Very low | 27.7 | Very low | 84 Ų | 84 | 133 Ų | 133 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | trans | 76.2 | 90.6 | 147 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 676 | D | 25.1 | Very low | 28 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 76.4 | 158.2 | 117.8 | -164 | 35.3 | 0 | 0 | 0 | 122.5 | |||||
| 677 | R | 25.6 | Very low | 28.3 | Very low | 207 Ų | 207 | 133 Ų | 133 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | 76.1 | 85.5 | 166.2 | -85.6 | 169.1 | 168.8 | 86.5 | -7 | 121.7 | ||||
| 678 | S | 26.7 | Very low | 28.6 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | -5.2 | 164 | 113.5 | -63.5 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 679 | P | 50.4 | Low | 29 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | cis | -142.6 | -169.3 | -18.8 | 35.4 | -13.7 | 0 | 0 | 0 | 115.7 | ||||
| 680 | N | 26.8 | Very low | 29.1 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | 74.4 | 161.2 | 156.7 | -71.1 | -30.8 | 0 | 0 | 0 | 117.6 | ||||
| 681 | L | 27 | Very low | 29.2 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | cis | -155.5 | 161.1 | 11.3 | -155.9 | 59.3 | 0 | 0 | 0 | 111.9 | ||||
| 682 | Q | 26.3 | Very low | 28.9 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 59.8 | 135.8 | 158.7 | -78.1 | 144.9 | 2.7 | 0 | 0 | 119.4 | ||||
| 683 | V | 25.4 | Very low | 28.8 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | cis | 75.1 | 132.3 | 35 | -177.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 684 | P | 41.9 | Very low | 28.6 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | cis | -127.4 | -172.9 | -15.3 | 40.1 | -23.4 | 0 | 0 | 0 | 114.1 | ||||
| 685 | G | 25.8 | Very low | 28.7 | Very low | 76 Ų | 76 | 139.3 Ų | 139.3 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | -179 | 112.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 686 | T | 27.6 | Very low | 28.7 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | trans | -65.7 | 165.3 | 162.5 | 45.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 687 | S | 31.2 | Very low | 28.8 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | cis | 177.1 | 154.6 | -14.9 | 176.2 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 688 | G | 29.7 | Very low | 29 | Very low | 63 Ų | 63 | 133.5 Ų | 133.5 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | cis | 140.6 | 162.4 | 5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 689 | R | 31.7 | Very low | 29.2 | Very low | 248 Ų | 248 | 136 Ų | 136 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | trans | 82.1 | 140.7 | -179.8 | -162.6 | -174 | -161.9 | 172.1 | 5.4 | 115.1 | ||||
| 690 | R | 27.3 | Very low | 28 | Very low | 209 Ų | 209 | 140.3 Ų | 140.3 | 79% | 0.789 | 77% | 0.774 | S | S | * | * | cis | -173.2 | 156.5 | -23.2 | 178.4 | -175.3 | -78.5 | -135.8 | 1.4 | 107.6 | ||||
| 691 | R | 27 | Very low | 28 | Very low | 229 Ų | 229 | 137 Ų | 137 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 96.3 | 139.2 | 172.5 | -58.1 | 174.5 | -174.6 | -177.3 | 2.6 | 111.7 | ||||
| 692 | T | 23.5 | Very low | 28 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | cis | -152 | 154.4 | 4 | -5.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 693 | M | 22.3 | Very low | 28.6 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 82% | 0.823 | 78% | 0.78 | S | S | * | * | trans | 35.9 | 140.9 | 144.6 | -55.2 | -106.8 | -76.6 | 0 | 0 | 120.9 | ||||
| 694 | S | 25.9 | Very low | 28.7 | Very low | 76 Ų | 76 | 136 Ų | 136 | 53% | 0.531 | 78% | 0.779 | S | S | . | * | cis | -176.8 | 145.7 | -8.5 | -92.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 695 | N | 27.1 | Very low | 28.1 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | 64.7 | 161.9 | 172.8 | -41.6 | -36.9 | 0 | 0 | 0 | 113.4 | ||||
| 696 | T | 28.3 | Very low | 28.2 | Very low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | cis | -133.3 | 135.4 | 9.5 | 37 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 697 | A | 28 | Very low | 28.3 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | 60.2 | 92.6 | 85.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 698 | A | 29.6 | Very low | 28.1 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | trans | 72 | 164.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 699 | H | 30.3 | Very low | 28.1 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | cis | -144.5 | 170.9 | 12.5 | -104.7 | -55.8 | 0 | 0 | 0 | 112.5 | ||||
| 700 | K | 25.8 | Very low | 28 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | 20.7 | 138.7 | 147.5 | -58 | 171.7 | -179.4 | 175.6 | 0 | 119.8 | ||||
| 701 | G | 25.8 | Very low | 28.2 | Very low | 72 Ų | 72 | 131.5 Ų | 131.5 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | cis | 165.2 | -167.3 | 3.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 702 | T | 28 | Very low | 28.2 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -62.3 | 162 | -176.7 | -13.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 703 | P | 38.6 | Very low | 28.5 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | -148.9 | 143.5 | 97.9 | 33.2 | -14.4 | 0 | 0 | 0 | 118.1 | |||||
| 704 | L | 28 | Very low | 28.9 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | 68 | 139.3 | 147.9 | -58.8 | 167 | 0 | 0 | 0 | 118.1 | ||||
| 705 | L | 28.9 | Very low | 29.3 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | cis | -156.6 | 177.7 | -0.8 | -99.8 | 164.1 | 0 | 0 | 0 | 108.1 | ||||
| 706 | N | 26.7 | Very low | 29.5 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 65% | 0.647 | 78% | 0.776 | S | S | * | * | cis | -116.9 | -105.1 | -1.4 | -172.5 | 20.5 | 0 | 0 | 0 | 112.5 | ||||
| 707 | A | 29.7 | Very low | 29.7 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | cis | -155.4 | 170.8 | 1.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 708 | E | 27.3 | Very low | 29.8 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -115 | 150.2 | -171.1 | -72.2 | 167.5 | 126.8 | 0 | 0 | 111.7 | ||||
| 709 | A | 30.3 | Very low | 30.1 | Very low | 84 Ų | 84 | 132.5 Ų | 132.5 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | cis | -160 | 164.2 | -6.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 710 | E | 30.8 | Very low | 30.3 | Very low | 191 Ų | 191 | 130.4 Ų | 130.4 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | 56.1 | 145.5 | 156.5 | -64.2 | -112.6 | 112 | 0 | 0 | 120.4 | ||||
| 711 | A | 30.1 | Very low | 30.4 | Very low | 84 Ų | 84 | 131.2 Ų | 131.2 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | cis | -165.4 | 167.7 | -16.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 712 | G | 27.4 | Very low | 30.7 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | 113.6 | 102 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 713 | A | 30.1 | Very low | 31 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -141.2 | 137.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 714 | L | 31.3 | Very low | 30.9 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -85 | 125.9 | -169 | -178.6 | 68.6 | 0 | 0 | 0 | 112.9 | K716 | L714-K716 PolarHBondContact O-N 3.29Š|
| 715 | H | 33.7 | Very low | 31.1 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 124.1 | 171.9 | -85.4 | -93.8 | 0 | 0 | 0 | 112 | ||
| 716 | K | 31.3 | Very low | 31.1 | Very low | 191 Ų | 191 | 134.6 Ų | 134.6 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 121 | 164.1 | -71.6 | -179.2 | 178 | 176.3 | 0 | 109.6 | L714 | L714-K716 PolarHBondContact O-N 3.29Š|
| 717 | V | 32.1 | Very low | 31.4 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -92 | 123.6 | 173.3 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 718 | T | 30.8 | Very low | 31.5 | Very low | 128 Ų | 128 | 133 Ų | 133 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -102.8 | 104.9 | 169.9 | 45.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 719 | T | 35.7 | Very low | 31.7 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 64% | 0.638 | 80% | 0.798 | S | S | * | * | trans | -70 | 126.8 | 173.7 | -54.8 | 0 | 0 | 0 | 0 | 111 | Y721 | T719-Y721 HydrophobicContact CG2-CE2 4.31Š| ||
| 720 | V | 33.2 | Very low | 31.8 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | trans | -107.6 | 121.5 | 171.2 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 721 | Y | 28.3 | Very low | 31.8 | Very low | 211 Ų | 211 | 134.9 Ų | 134.9 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -81.4 | 126.7 | 175.3 | -71.4 | -91.8 | 0 | 0 | 0 | 110.5 | T719 | T719-Y721 HydrophobicContact CG2-CE2 4.31Š| ||
| 722 | V | 32.9 | Very low | 31.8 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | -114 | 113.7 | 173.2 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | V724 | V722-V724 HydrophobicContact CG1-CG2 4.18Å; V722-V724 PolarHBondContact O-N 3.29Å | ||
| 723 | T | 35 | Very low | 31.9 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -88.9 | 104.1 | 179.3 | 51.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 724 | V | 36.3 | Very low | 31.7 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 78% | 0.782 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 128.3 | 174.8 | -173 | 0 | 0 | 0 | 0 | 110.3 | V722 | V722-V724 HydrophobicContact CG1-CG2 4.18Å; V722-V724 PolarHBondContact O-N 3.29Å |
| 725 | G | 30.8 | Very low | 31.8 | Very low | 72 Ų | 72 | 141.4 Ų | 141.4 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73 | 141 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 726 | K | 30.1 | Very low | 32.2 | Very low | 216 Ų | 216 | 138.9 Ų | 138.9 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 119.3 | 174.8 | -75.9 | -179.9 | 175.5 | 175 | 0 | 111.5 | ||
| 727 | A | 32.8 | Very low | 32.1 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 161.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 728 | G | 31 | Very low | 32.1 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 149 | -172 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 729 | R | 32.5 | Very low | 32 | Very low | 239 Ų | 239 | 136.8 Ų | 136.8 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 127.9 | 173.1 | 177.8 | -170.2 | -82.8 | -158.2 | -3.3 | 110.3 | ||
| 730 | P | 31.6 | Very low | 31.9 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 156.4 | 168.9 | 32.7 | -34.3 | 0 | 0 | 0 | 112.2 | ||
| 731 | V | 30.8 | Very low | 32.7 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 135.6 | -178.2 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 732 | T | 30.6 | Very low | 32.7 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 126.9 | 172.1 | 46.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 733 | K | 28.3 | Very low | 32.7 | Very low | 172 Ų | 172 | 134 Ų | 134 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 156.1 | 166.9 | -95.2 | -174 | 154.8 | -153.5 | 0 | 111.6 | E735 | K733-E735 IonicContact NZ-OE1 3.53Å; K733-E735 PolarHBondContact NZ-OE1 3.2Å |
| 734 | T | 27.2 | Very low | 32.5 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | trans | -112.3 | 144.3 | 154.9 | -37.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 735 | E | 32.8 | Very low | 32.1 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 56% | 0.561 | 80% | 0.797 | S | S | * | * | trans | -130.4 | 153.7 | -177.1 | -81.4 | -76.1 | 157.2 | 0 | 0 | 107.9 | K733 S737 | K733-E735 IonicContact NZ-OE1 3.53Å; K733-E735 PolarHBondContact NZ-OE1 3.2Å; E735-S737 PolarHBondContact OE2-N 3Å | ||
| 736 | P | 42.7 | Very low | 32.2 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | -146.8 | 123.9 | 90.8 | 34.7 | -15.6 | 0 | 0 | 0 | 116.9 | |||||
| 737 | S | 28.3 | Very low | 32.3 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | 62.8 | 113.7 | 120.1 | 176.4 | 0 | 0 | 0 | 0 | 121.3 | E735 | E735-S737 PolarHBondContact OE2-N 3Š| |||
| 738 | S | 31.7 | Very low | 32.1 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | -164.9 | 122.1 | 127.1 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 739 | E | 29.6 | Very low | 32.1 | Very low | 199 Ų | 199 | 149.9 Ų | 149.9 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | 62.5 | 162.8 | 148.7 | -57.8 | -179.4 | 147.7 | 0 | 0 | 121.1 | ||||
| 740 | G | 34.3 | Very low | 31.8 | Very low | 69 Ų | 69 | 141.5 Ų | 141.5 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -169.7 | -158.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 741 | P | 48.3 | Very low | 31.6 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | cis | -127.7 | -164.2 | -9.7 | 40.1 | -22.3 | 0 | 0 | 0 | 112.2 | ||||
| 742 | V | 29.2 | Very low | 31.5 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | trans | 153 | 131.2 | 137.9 | 164.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 743 | Q | 33.2 | Very low | 31.6 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -3.4 | 141.7 | 163.4 | -57.7 | 165.9 | -59 | 0 | 0 | 122.1 | ||||
| 744 | A | 31.4 | Very low | 31.6 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | 167.3 | 168.5 | 109.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 745 | M | 27.7 | Very low | 31.6 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 84% | 0.837 | 78% | 0.78 | S | S | * | * | trans | -117.4 | 148.8 | -169.1 | -99.4 | -170.1 | 175.1 | 0 | 0 | 115.4 | ||||
| 746 | L | 33.1 | Very low | 31.4 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | trans | 65.1 | 131.8 | 141.4 | -71.3 | 168.5 | 0 | 0 | 0 | 122.9 | ||||
| 747 | R | 31.9 | Very low | 30.8 | Very low | 232 Ų | 232 | 146.4 Ų | 146.4 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | trans | 69.8 | 134.1 | 145.9 | -66.1 | 170.8 | -178.3 | -178.8 | 1.4 | 119.4 | ||||
| 748 | R | 28.4 | Very low | 31 | Very low | 250 Ų | 250 | 149.2 Ų | 149.2 | 94% | 0.943 | 78% | 0.777 | S | S | * | * | trans | -115.6 | 137.6 | 160.3 | -81.6 | -172.1 | 172.4 | -163.5 | -1.4 | 109.8 | ||||
| 749 | L | 29.9 | Very low | 30.9 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 94% | 0.942 | 78% | 0.78 | S | S | * | * | trans | -160.5 | 122.3 | 163.5 | -134.3 | 173.6 | 0 | 0 | 0 | 111.4 | ||||
| 750 | G | 26.3 | Very low | 30.8 | Very low | 64 Ų | 64 | 144.9 Ų | 144.9 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | trans | 94.2 | 144.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 751 | S | 28.4 | Very low | 30.6 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 56.7 | 153.2 | 163.6 | -72.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 752 | L | 29.2 | Very low | 29.8 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | cis | 163.6 | 155.6 | -30.7 | -110.2 | 166.2 | 0 | 0 | 0 | 106.6 | ||||
| 753 | Q | 31.4 | Very low | 29.8 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | 97.4 | 94.5 | 150.6 | -151 | 77.8 | -28.2 | 0 | 0 | 121.1 | ||||
| 754 | R | 28.1 | Very low | 29.8 | Very low | 204 Ų | 204 | 151.9 Ų | 151.9 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 66.5 | 158.5 | 151 | -68.4 | -179.1 | 176.8 | -160.9 | -2.1 | 117.3 | ||||
| 755 | Q | 28.6 | Very low | 29.8 | Very low | 152 Ų | 152 | 152.7 Ų | 152.7 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | cis | -144.8 | 136.2 | 6 | -125.2 | 155.3 | -112.1 | 0 | 0 | 107 | ||||
| 756 | K | 27.8 | Very low | 30.2 | Very low | 145 Ų | 145 | 151.2 Ų | 151.2 | 63% | 0.63 | 77% | 0.772 | S | S | * | * | 92.7 | 120.5 | 75.9 | 175.5 | -88 | -166 | -75.7 | 0 | 113.4 | |||||
| 757 | E | 31 | Very low | 31.1 | Very low | 136 Ų | 136 | 151 Ų | 151 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | cis | -95.5 | -96.5 | -26.4 | -72.2 | 83.5 | -173 | 0 | 0 | 110.9 | ||||
| 758 | Q | 32.4 | Very low | 31.2 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | cis | -159.8 | 160.4 | -9.6 | -140.4 | -162.3 | -42 | 0 | 0 | 106.3 | ||||
| 759 | D | 28.9 | Very low | 31.4 | Very low | 143 Ų | 143 | 139 Ų | 139 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | cis | -140.5 | -127.7 | 1.1 | -166.9 | -98 | 0 | 0 | 0 | 110.4 | ||||
| 760 | G | 28.1 | Very low | 31.6 | Very low | 65 Ų | 65 | 133.9 Ų | 133.9 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | -83.8 | 165.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 761 | G | 28.8 | Very low | 32 | Very low | 76 Ų | 76 | 138.6 Ų | 138.6 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | cis | 168.5 | -174.3 | -1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 762 | R | 31.4 | Very low | 32.2 | Very low | 239 Ų | 239 | 139 Ų | 139 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | cis | -159.1 | -11.1 | -5.3 | -144.5 | 173.4 | 69.3 | 178.2 | 0.8 | 116.2 | ||||
| 763 | S | 30.2 | Very low | 32 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | -96.6 | 155.8 | -169.1 | 49 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 764 | K | 32.1 | Very low | 33.6 | Very low | 202 Ų | 202 | 140.2 Ų | 140.2 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | trans | -141.8 | 161.8 | -167.5 | -63.6 | 174.9 | 176.1 | 174.6 | 0 | 112.6 | ||||
| 765 | S | 32.2 | Very low | 34.9 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -146.1 | 160 | 133.7 | 57.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 766 | K | 36.7 | Very low | 35.3 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 61% | 0.609 | 77% | 0.771 | S | S | * | * | trans | -151.6 | 171.9 | -177.5 | -126 | -153.4 | 165.1 | -169 | 0 | 107.6 | A768 E769 | K766-A768 PolarHBondContact NZ-O 2.65Å; K766-E769 IonicContact NZ-OE1 3.62Å; K766-E769 PolarHBondContact NZ-OE1 3.11Å; K766-E769 IonicContact NZ-OE2 3.13Å; K766-E769 PolarHBondContact NZ-OE2 3.01Å | ||
| 767 | P | 51 | Low | 35.8 | Very low | 122 Ų | 122 | 144 Ų | 144 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | cis | -93.6 | -170 | 36.2 | 40 | -41.9 | 0 | 0 | 0 | 114 | ||||
| 768 | A | 34.9 | Very low | 36.1 | Very low | 70 Ų | 70 | 145.5 Ų | 145.5 | 58% | 0.579 | 79% | 0.785 | S | S | * | * | cis | -153.6 | -166.1 | 22.1 | 0 | 0 | 0 | 0 | 0 | 116 | K766 | K766-A768 PolarHBondContact NZ-O 2.65Š| ||
| 769 | E | 33 | Very low | 36.2 | Very low | 160 Ų | 160 | 145.6 Ų | 145.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -145.1 | 173.8 | -166.9 | -101.6 | 61.3 | -127.5 | 0 | 0 | 109.5 | K766 | K766-E769 IonicContact NZ-OE1 3.62Å; K766-E769 PolarHBondContact NZ-OE1 3.11Å; K766-E769 IonicContact NZ-OE2 3.13Å; K766-E769 PolarHBondContact NZ-OE2 3.01Å | ||
| 770 | G | 33.8 | Very low | 36.3 | Very low | 74 Ų | 74 | 142.3 Ų | 142.3 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | cis | 164.3 | -3.8 | 0.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 771 | I | 34.2 | Very low | 36.7 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -94.4 | 134.3 | -170.7 | -65.1 | 174.4 | 0 | 0 | 0 | 112.2 | ||||
| 772 | T | 32.2 | Very low | 37 | Very low | 123 Ų | 123 | 152.3 Ų | 152.3 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | cis | -156.1 | 174 | -17.7 | 25.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 773 | K | 26 | Very low | 37.1 | Very low | 203 Ų | 203 | 145.1 Ų | 145.1 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -124.7 | -153.7 | 176.8 | -45.3 | -176.6 | 174.5 | 178.1 | 0 | 113.7 | ||||
| 774 | P | 64 | Low | 37.2 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -124.9 | -161.3 | -142.9 | 39 | -14.6 | 0 | 0 | 0 | 114.2 | ||||
| 775 | P | 55.5 | Low | 37.3 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -142.3 | -175 | 143.5 | 37 | -20.2 | 0 | 0 | 0 | 116.8 | ||||
| 776 | R | 37.8 | Very low | 37.1 | Very low | 234 Ų | 234 | 144.8 Ų | 144.8 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -92.5 | -167.4 | -179.8 | -61.8 | 165.7 | 160.1 | 153.4 | -11.2 | 110.5 | ||||
| 777 | R | 37 | Very low | 37.1 | Very low | 218 Ų | 218 | 144.6 Ų | 144.6 | 82% | 0.823 | 79% | 0.787 | S | S | * | * | cis | -179.9 | 141.2 | 35.2 | -147.3 | -172.1 | -172.2 | -176.4 | 2.3 | 114.3 | ||||
| 778 | K | 37.5 | Very low | 36.2 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 74% | 0.735 | 79% | 0.789 | S | S | * | * | trans | 57.7 | 142 | 139.7 | -94.1 | -168.3 | 165.2 | -160.9 | 0 | 126.1 | ||||
| 779 | L | 35.6 | Very low | 35.8 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | 85.2 | 142.6 | 139.9 | -73.7 | 167.1 | 0 | 0 | 0 | 122.4 | ||||
| 780 | G | 29.5 | Very low | 35.6 | Very low | 74 Ų | 74 | 143.8 Ų | 143.8 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 155.3 | 147.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 781 | A | 36.6 | Very low | 36.4 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -161.1 | 149.3 | -178 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 782 | R | 36.1 | Very low | 36.3 | Very low | 248 Ų | 248 | 144 Ų | 144 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | 74.5 | 140.7 | 149.4 | -145.7 | 175.2 | -177.9 | 152.9 | -0 | 121.1 | ||||
| 783 | A | 32.9 | Very low | 36.2 | Very low | 89 Ų | 89 | 142 Ų | 142 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | 80.9 | 105 | 152.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 784 | A | 33.5 | Very low | 36.5 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | 67.8 | 121.1 | 115.2 | 0 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 785 | V | 32.9 | Very low | 34.8 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | 85.2 | 151.5 | 129.2 | 171 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 786 | W | 29.2 | Very low | 33.8 | Very low | 226 Ų | 226 | 138.3 Ų | 138.3 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | 77.1 | 146.7 | 172.3 | -78.7 | -10.4 | 0 | 0 | 0 | 119 | ||||
| 787 | E | 35.6 | Very low | 33.4 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 64% | 0.636 | 81% | 0.81 | S | S | * | * | cis | -167.7 | 177.7 | -23.9 | -145.8 | -169.1 | -158.2 | 0 | 0 | 111.9 | ||||
| 788 | Q | 31.9 | Very low | 34.2 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | 77.5 | 142.6 | 153.8 | -70.3 | 166.8 | 40.7 | 0 | 0 | 123.1 | ||||
| 789 | G | 27.2 | Very low | 33.9 | Very low | 82 Ų | 82 | 130.6 Ų | 130.6 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | 143 | 94.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 790 | G | 28.8 | Very low | 33.5 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -101 | -157.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 791 | P | 51.4 | Low | 33.4 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | cis | -144.7 | -163.9 | 13.4 | 44.5 | -24.2 | 0 | 0 | 0 | 116.9 | ||||
| 792 | S | 31.1 | Very low | 33.1 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | 74.1 | 138.5 | 172.4 | 76.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 793 | G | 30.3 | Very low | 32.9 | Very low | 80 Ų | 80 | 139 Ų | 139 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | cis | 104.8 | 124.4 | -10.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 794 | G | 31.5 | Very low | 32.8 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | cis | 167.3 | -179.5 | -3.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 795 | E | 29.3 | Very low | 32.6 | Very low | 204 Ų | 204 | 139.6 Ų | 139.6 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | trans | -156.8 | 158.3 | 166 | -125 | -173.7 | 159.4 | 0 | 0 | 112.7 | ||||
| 796 | A | 33.4 | Very low | 32.6 | Very low | 91 Ų | 91 | 139 Ų | 139 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -164.1 | 159.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 797 | K | 31.2 | Very low | 32.8 | Very low | 208 Ų | 208 | 131.4 Ų | 131.4 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -170.3 | 159.4 | 147.9 | -107.7 | 150.6 | -170.8 | 167.3 | 0 | 115.2 | ||||
| 798 | P | 53.2 | Low | 32.6 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -135.8 | -174.4 | -172.5 | 40.2 | -19.7 | 0 | 0 | 0 | 116.7 | ||||
| 799 | V | 30.1 | Very low | 32.4 | Very low | 139 Ų | 139 | 128 Ų | 128 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | 73.6 | 109.9 | 160.5 | -172.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 800 | R | 27.7 | Very low | 32.5 | Very low | 237 Ų | 237 | 133.1 Ų | 133.1 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | trans | -170.5 | 163.7 | 140.8 | -140.7 | 153.8 | 174.6 | 148.4 | -4.7 | 109.2 | ||||
| 801 | R | 28.4 | Very low | 32.9 | Very low | 214 Ų | 214 | 133.9 Ų | 133.9 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | 174 | 123.6 | -51 | -176.2 | -171.9 | -161.9 | -167.8 | 8.5 | 105.7 | |||||
| 802 | K | 29 | Very low | 32.8 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | trans | 75.9 | 138.4 | 163.5 | -92 | -166.3 | 167.1 | -168.7 | 0 | 121.9 | ||||
| 803 | N | 32.5 | Very low | 34.3 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | 75.8 | 155.7 | 142.7 | -70.9 | 26.4 | 0 | 0 | 0 | 121.6 | ||||
| 804 | A | 29.9 | Very low | 34.3 | Very low | 83 Ų | 83 | 136.3 Ų | 136.3 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | cis | 179 | 122.9 | -39.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 805 | S | 30.9 | Very low | 34.8 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -172 | 108.9 | 149.5 | 52.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 806 | S | 32.9 | Very low | 34.8 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | 69.5 | 118.3 | 68.8 | -57.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 807 | G | 32 | Very low | 35.2 | Very low | 66 Ų | 66 | 139.2 Ų | 139.2 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | cis | -154.1 | 163.9 | 3.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 808 | I | 31.6 | Very low | 35.5 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | 85.3 | 127.2 | 73.5 | -69.6 | 165.7 | 0 | 0 | 0 | 110.8 | |||||
| 809 | S | 28.8 | Very low | 35.3 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 58% | 0.58 | 79% | 0.787 | S | S | * | * | cis | -171 | 152.1 | -11.1 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 810 | E | 28.3 | Very low | 35.4 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | 58 | 149.6 | 141.3 | -67.4 | 173 | 130.4 | 0 | 0 | 122.8 | ||||
| 811 | A | 36.5 | Very low | 35.7 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -101.3 | 166.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 812 | P | 49.6 | Very low | 36.7 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | -146.2 | 177.9 | 96.9 | 33.5 | -13.8 | 0 | 0 | 0 | 114.2 | |||||
| 813 | P | 62.5 | Low | 36.6 | Very low | 125 Ų | 125 | 133 Ų | 133 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -101.1 | 168.8 | -168.2 | 39 | -35.9 | 0 | 0 | 0 | 116 | ||||
| 814 | S | 31.9 | Very low | 36.4 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -153.9 | 162.1 | 165.5 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 815 | E | 41.3 | Very low | 36.2 | Very low | 206 Ų | 206 | 132.5 Ų | 132.5 | 96% | 0.963 | 79% | 0.793 | S | S | * | * | trans | -104.3 | 164.1 | -173.5 | -60 | -172.3 | 128.5 | 0 | 0 | 114.4 | ||||
| 816 | G | 28.4 | Very low | 36.2 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -177.7 | 143 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 817 | N | 41.8 | Very low | 36 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -126.1 | 120.3 | -164.8 | -113.9 | -37 | 0 | 0 | 0 | 115 | ||||
| 818 | T | 37.7 | Very low | 35.6 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | 65.2 | 175.1 | 156.5 | 74.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 819 | P | 49.4 | Very low | 35.4 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | cis | -139.2 | 177.6 | 4.8 | 44 | -25.3 | 0 | 0 | 0 | 118.5 | ||||
| 820 | K | 31.5 | Very low | 36 | Very low | 206 Ų | 206 | 142.6 Ų | 142.6 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | 40.7 | 135.9 | 152.6 | -67.8 | -179.4 | -174.5 | 179.1 | 0 | 123.5 | ||||
| 821 | R | 34.9 | Very low | 36.6 | Very low | 242 Ų | 242 | 138.1 Ų | 138.1 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -34.7 | 155 | 157.9 | -91.3 | -177.4 | -177.9 | -179.9 | 1.4 | 115.7 | ||||
| 822 | P | 48.7 | Very low | 36.2 | Very low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | -156.5 | 174.3 | 61.7 | 44.2 | -23.5 | 0 | 0 | 0 | 121.1 | |||||
| 823 | L | 27.2 | Very low | 35.2 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 17 | 125.7 | 148.7 | -65 | 166.9 | 0 | 0 | 0 | 122.9 | ||||
| 824 | S | 28.9 | Very low | 33.7 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | -154.5 | 147.5 | 112.6 | 61.1 | 0 | 0 | 0 | 0 | 109 | |||||
| 825 | S | 26.5 | Very low | 33.6 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | cis | 89 | 82.3 | 8.2 | 87.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 826 | I | 30.8 | Very low | 33 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -176.9 | 143.4 | 156 | -100 | 147.7 | 0 | 0 | 0 | 107.8 | ||||
| 827 | L | 27.8 | Very low | 32.9 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | cis | -160.1 | 162.3 | -34.6 | -117 | 174.6 | 0 | 0 | 0 | 107.8 | ||||
| 828 | K | 23.9 | Very low | 32.4 | Very low | 190 Ų | 190 | 133.8 Ų | 133.8 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | 1.9 | 135 | 161.5 | -64.9 | 167 | -173.5 | -179.7 | 0 | 118.1 | ||||
| 829 | S | 27.8 | Very low | 31.9 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | -155.8 | 143 | 79.2 | 47.8 | 0 | 0 | 0 | 0 | 118 | |||||
| 830 | V | 40.4 | Very low | 31 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -125.7 | 131 | 150.8 | 168.8 | 0 | 0 | 0 | 0 | 103 | ||||
| 831 | P | 41.7 | Very low | 30.8 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 62% | 0.623 | 79% | 0.794 | S | S | * | * | -130.7 | 169.1 | 81.4 | 5.2 | 21.2 | 0 | 0 | 0 | 114.2 | |||||
| 832 | E | 27.5 | Very low | 30.5 | Very low | 173 Ų | 173 | 127.7 Ų | 127.7 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | 56.1 | 149 | 75.3 | -39.4 | 172.5 | 94.6 | 0 | 0 | 113.6 | |||||
| 833 | V | 28.7 | Very low | 29.5 | Very low | 117 Ų | 117 | 130 Ų | 130 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | cis | -151.6 | 126.6 | 31.1 | 173.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 834 | A | 30.3 | Very low | 29.7 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | 81.5 | 177.9 | 70.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 835 | V | 30.4 | Very low | 29.7 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | 79.6 | 130.6 | -175.6 | -168.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 836 | G | 28 | Very low | 29.9 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | cis | 171.4 | 164.8 | -7.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 837 | G | 27.1 | Very low | 29.9 | Very low | 69 Ų | 69 | 129.3 Ų | 129.3 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 128.1 | 100.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 838 | S | 31.1 | Very low | 30.3 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | cis | 79.2 | 113.3 | 32.3 | -47 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 839 | G | 27.6 | Very low | 30.7 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | 158.8 | 51.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 840 | L | 30.6 | Very low | 31 | Very low | 158 Ų | 158 | 122.1 Ų | 122.1 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | 41.6 | 136.9 | 133.3 | -94.4 | 160 | 0 | 0 | 0 | 124 | ||||
| 841 | R | 26.6 | Very low | 30.5 | Very low | 234 Ų | 234 | 118.7 Ų | 118.7 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 82.1 | 159.2 | 159 | -58.1 | 170.8 | -171.2 | -166.4 | 3.1 | 118 | ||||
| 842 | A | 28.7 | Very low | 30 | Very low | 86 Ų | 86 | 123 Ų | 123 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | cis | 176.8 | 166.5 | -37.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 843 | M | 28.9 | Very low | 30.2 | Very low | 161 Ų | 161 | 119.7 Ų | 119.7 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | 85.9 | 115.5 | -175.4 | -53 | -50.1 | -155.2 | 0 | 0 | 114.1 | ||||
| 844 | Q | 30.8 | Very low | 30.5 | Very low | 177 Ų | 177 | 122.5 Ų | 122.5 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | 77.3 | 128.7 | 61.2 | -72 | -175 | -21.3 | 0 | 0 | 113.1 | |||||
| 845 | G | 28.5 | Very low | 30.4 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | cis | -156.4 | 166.9 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 846 | V | 31.8 | Very low | 30.6 | Very low | 135 Ų | 135 | 121 Ų | 121 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | 100.9 | 124.9 | 66.7 | 157 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 847 | D | 30.6 | Very low | 30.8 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | cis | -168.1 | 177.8 | -20 | -138 | 109.9 | 0 | 0 | 0 | 112.2 | ||||
| 848 | A | 35.7 | Very low | 31 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 74.4 | 151.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 849 | A | 32.2 | Very low | 31.1 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | cis | -146.6 | 138.1 | 5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 850 | A | 33.6 | Very low | 31.3 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | 40.5 | 148.1 | 127 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 851 | G | 29.3 | Very low | 31.1 | Very low | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | cis | -167.6 | 151.6 | -0.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 852 | Q | 32.6 | Very low | 32.8 | Very low | 187 Ų | 187 | 123.9 Ų | 123.9 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | 67.6 | 140.1 | 85.6 | -79.4 | -162.9 | -43 | 0 | 0 | 116.9 | |||||
| 853 | T | 32.2 | Very low | 33.2 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | cis | -176.6 | 141.1 | -32.7 | 13.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 854 | E | 34.4 | Very low | 33.6 | Very low | 177 Ų | 177 | 122.7 Ų | 122.7 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | 56.2 | 176.4 | 153.3 | -56 | -176.3 | 108.8 | 0 | 0 | 118.5 | ||||
| 855 | C | 28.1 | Very low | 33.8 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | cis | -146.2 | -155.3 | -1.1 | -152 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 856 | S | 34.2 | Very low | 34.1 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | -142.9 | -170.8 | -177.5 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 857 | Y | 32.5 | Very low | 34.2 | Very low | 199 Ų | 199 | 125.1 Ų | 125.1 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | cis | -167.2 | -166.8 | 20.1 | 37 | -140.5 | 0 | 0 | 0 | 112.2 | ||||
| 858 | L | 31 | Very low | 34.3 | Very low | 149 Ų | 149 | 127.1 Ų | 127.1 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | trans | 97.8 | 167.4 | 158.5 | -73.8 | 168 | 0 | 0 | 0 | 121.8 | ||||
| 859 | T | 34 | Very low | 34.1 | Very low | 121 Ų | 121 | 127 Ų | 127 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -125.7 | 169.7 | -155.9 | 45.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 860 | V | 31.5 | Very low | 33.9 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | 169.9 | 151.6 | 90 | 161.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 861 | G | 26.8 | Very low | 33.8 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | 140.5 | 129.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 862 | P | 62.1 | Low | 33.9 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -137.2 | 172.4 | -170 | 44.6 | -29.8 | 0 | 0 | 0 | 120.6 | ||||
| 863 | T | 36.4 | Very low | 33.7 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 95% | 0.945 | 77% | 0.767 | S | S | * | * | trans | -166.9 | 170.2 | 160.5 | 27.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 864 | G | 36.3 | Very low | 33.4 | Very low | 68 Ų | 68 | 130.9 Ų | 130.9 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | cis | 162.8 | 122.1 | -12.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 865 | E | 36.4 | Very low | 33.1 | Very low | 187 Ų | 187 | 127.7 Ų | 127.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 60.8 | 152.2 | 169.2 | -64 | -166.5 | 130.6 | 0 | 0 | 120.1 | ||||
| 866 | T | 35 | Very low | 33.2 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | cis | -149.5 | 159.2 | 12.6 | -11.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 867 | T | 33.8 | Very low | 32.9 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | 78.2 | 136.3 | 154.8 | 35.6 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 868 | Q | 32.1 | Very low | 32.6 | Very low | 185 Ų | 185 | 125.5 Ų | 125.5 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | 84.1 | 124.3 | 161.7 | -65.6 | -163.5 | 5.8 | 0 | 0 | 122.9 | ||||
| 869 | A | 31.6 | Very low | 32.5 | Very low | 90 Ų | 90 | 127 Ų | 127 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | 31.3 | 99.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 870 | I | 28.3 | Very low | 32.9 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 80% | 0.795 | 78% | 0.777 | S | S | * | * | cis | 70.8 | 113.3 | 39.9 | -52.1 | 174.9 | 0 | 0 | 0 | 113.9 | ||||
| 871 | T | 31.8 | Very low | 32.6 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | cis | -149.6 | -143.2 | -21.5 | 33.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 872 | N | 31.1 | Very low | 32.5 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 65% | 0.647 | 77% | 0.772 | S | S | * | * | cis | -169.7 | 165.9 | 0.8 | -134.2 | 10.1 | 0 | 0 | 0 | 107.7 | ||||
| 873 | Q | 28.8 | Very low | 31 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | cis | -160.5 | 143.7 | -9.3 | -157.4 | 177 | -82.8 | 0 | 0 | 109.8 | ||||
| 874 | G | 26 | Very low | 30.5 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | 71.5 | -176.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 875 | A | 28 | Very low | 30.1 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 90% | 0.901 | 75% | 0.751 | S | S | * | * | cis | -159.9 | -174.1 | -15.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 876 | A | 29.2 | Very low | 29.7 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 69% | 0.694 | 75% | 0.745 | S | S | * | * | trans | -125.6 | 177.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 877 | N | 27.9 | Very low | 29.4 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | trans | 81.7 | 130.9 | 159.2 | -73.2 | 50 | 0 | 0 | 0 | 121.6 | ||||
| 878 | D | 27.2 | Very low | 29.2 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | 64.2 | 148.8 | 132.1 | -52 | -32.1 | 0 | 0 | 0 | 124.6 | ||||
| 879 | E | 28.5 | Very low | 29.3 | Very low | 181 Ų | 181 | 131.2 Ų | 131.2 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -57.8 | 163.2 | 164.5 | -113.7 | 174.4 | 99.8 | 0 | 0 | 112 | ||||
| 880 | P | 41.6 | Very low | 30.1 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | cis | -152.2 | 178.4 | 32.7 | 42.7 | -20.9 | 0 | 0 | 0 | 120.2 | ||||
| 881 | C | 25.8 | Very low | 30.2 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | trans | 71.8 | 139.5 | 137.5 | -88.7 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 882 | Y | 24.7 | Very low | 30.1 | Very low | 199 Ų | 199 | 136.5 Ų | 136.5 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | 63.5 | 104.1 | 156.7 | -83 | -87.6 | 0 | 0 | 0 | 122 | ||||
| 883 | E | 29.6 | Very low | 30 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | 50.8 | 134.6 | 124 | -75.8 | -153.4 | 128.1 | 0 | 0 | 124.4 | |||||
| 884 | N | 27.4 | Very low | 30.1 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 60% | 0.604 | 78% | 0.779 | S | S | * | * | trans | 83.8 | 110.4 | 134.9 | -75.9 | -35.3 | 0 | 0 | 0 | 122.3 | ||||
| 885 | I | 27.9 | Very low | 30.4 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | 105.3 | 137.4 | 119 | -76.5 | 172 | 0 | 0 | 0 | 121 | |||||
| 886 | L | 27.5 | Very low | 30.5 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 84.5 | 99.7 | 158.1 | -114.1 | 78 | 0 | 0 | 0 | 123.4 | ||||
| 887 | I | 28.9 | Very low | 30.6 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | 71.1 | 127.5 | 117.4 | -71.7 | -176.8 | 0 | 0 | 0 | 123.9 | |||||
| 888 | S | 28.6 | Very low | 30.8 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | 55.2 | 137.3 | 150.8 | 70.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 889 | Q | 33.9 | Very low | 31.1 | Very low | 180 Ų | 180 | 146.7 Ų | 146.7 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | -66.2 | 160.4 | 161.2 | -66 | 172.3 | -46.8 | 0 | 0 | 112.6 | ||||
| 890 | P | 48.9 | Very low | 31.4 | Very low | 200 Ų | 200 | 143.5 Ų | 143.5 | 100% | 1.299 | 78% | 0.776 | S | S | * | * | trans | -69.1 | 0 | 163.8 | 32.9 | -37 | 0 | 0 | 0 | 113.2 |
Retrieved 890 of 890 residues in 197.1 ms
(Link to these results)