| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | L | 33 | Very low | 33.5 | Very low | 234 Ų | 234 | 141.5 Ų | 141.5 | 100% | 1.225 | 80% | 0.798 | S | S | * | * | 0 | 81.9 | 0 | -92.7 | 151.8 | 0 | 0 | 0 | 108.7 | |||||
| 2 | C | 29 | Very low | 34 | Very low | 136 Ų | 136 | 139 Ų | 139 | 92% | 0.919 | 81% | 0.808 | S | S | * | * | trans | -158.2 | 130.9 | 148.1 | -111.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 3 | R | 28.8 | Very low | 34.4 | Very low | 239 Ų | 239 | 133.2 Ų | 133.2 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -83.4 | 146.1 | -166.5 | -82 | 175.6 | 168.2 | -177.6 | -4.6 | 111.2 | ||||
| 4 | I | 29.8 | Very low | 34.8 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | trans | -54.3 | 130.8 | 158.2 | -61.4 | 161.1 | 0 | 0 | 0 | 109.2 | L6 | I4-L6 HydrophobicContact CG2-CD1 4.33Š| ||
| 5 | C | 37.9 | Very low | 35.3 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -140.9 | 123.3 | 156 | -84.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 6 | L | 34.6 | Very low | 35.4 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 41% | 0.408 | 81% | 0.806 | S | S | . | * | trans | -107.9 | 154.8 | 176.2 | -81 | 154.4 | 0 | 0 | 0 | 111.2 | I4 L105 | I4-L6 HydrophobicContact CG2-CD1 4.33Å; L6-L105 HydrophobicContact CB-CD2 3.2Å; L6-L105 HydrophobicContact CD1-CB 3.84Å; L6-L105 HydrophobicContact CD1-CD2 3.36Å; L6-L105 HydrophobicContact CD1-CG 4.07Å; L6-L105 HydrophobicContact CD2-CD2 4Å; L6-L105 HydrophobicContact CG-CD2 3.65Å | ||
| 7 | N | 35.9 | Very low | 35.8 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 50% | 0.497 | 80% | 0.798 | S | S | . | * | trans | 95.2 | 121.7 | 161.4 | -81.4 | -13.4 | 0 | 0 | 0 | 120.8 | ||||
| 8 | S | 37.8 | Very low | 36.6 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | 73.4 | 112.6 | 147.6 | 53.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 9 | G | 35.7 | Very low | 37 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 112.4 | 108.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 10 | C | 28.9 | Very low | 37.3 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 3.3 | 136.2 | 162 | -56.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 11 | F | 37.2 | Very low | 37.8 | Very low | 209 Ų | 209 | 136.9 Ų | 136.9 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | -178.1 | 136.3 | 119.4 | -101.5 | -76.2 | 0 | 0 | 0 | 110.2 | G13 | F11-G13 PolarHBondContact O-N 3.08Š| |||
| 12 | A | 40 | Very low | 38.4 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 93% | 0.926 | 74% | 0.739 | S | S | * | * | trans | -61.9 | 116.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 13 | G | 39.1 | Very low | 39.8 | Very low | 63 Ų | 63 | 127 Ų | 127 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | trans | -134.3 | 157.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F11 | F11-G13 PolarHBondContact O-N 3.08Š| ||
| 14 | P | 40.3 | Very low | 41.5 | Very low | 126 Ų | 126 | 119.8 Ų | 119.8 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -77.9 | 151.4 | -139.8 | 31.2 | -35.5 | 0 | 0 | 0 | 114.6 | C16 | P14-C16 PolarHBondContact O-N 3.2Å; P14-C16 VanDerWaalsContact O-N 3.16Å | ||
| 15 | K | 41.9 | Very low | 43.7 | Very low | 206 Ų | 206 | 117.2 Ų | 117.2 | 90% | 0.896 | 68% | 0.681 | S | S | * | * | trans | -42.9 | 116 | 172.5 | -75.2 | 176.7 | 175.6 | 175.2 | 0 | 111.5 | E17 | K15-E17 VanDerWaalsContact C-N 3.31Å; K15-E17 PolarHBondContact O-N 3.47Å | ||
| 16 | C | 36.5 | Very low | 45.9 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 84% | 0.838 | 68% | 0.68 | S | S | * | * | trans | -68.3 | 90.7 | 160.1 | -76.7 | 0 | 0 | 0 | 0 | 109 | P14 S18 | P14-C16 PolarHBondContact O-N 3.2Å; P14-C16 VanDerWaalsContact O-N 3.16Å; C16-S18 PolarHBondContact O-N 3.3Å | ||
| 17 | E | 42.7 | Very low | 48.5 | Very low | 141 Ų | 141 | 117.2 Ų | 117.2 | 66% | 0.659 | 67% | 0.673 | S | S | * | * | trans | -76.9 | 74.5 | 166.5 | -163.6 | -176.9 | 149.8 | 0 | 0 | 108.6 | K15 R19 | K15-E17 VanDerWaalsContact C-N 3.31Å; K15-E17 PolarHBondContact O-N 3.47Å; E17-R19 HydrophobicContact CG-CG 4.47Å; E17-R19 PolarHBondContact O-N 2.83Å; E17-R19 IonicContact OE1-CZ 2.71Å; E17-R19 IonicContact OE1-NE 2.95Å; E17-R19 PolarHBondContact OE1-NE 2.73Å; E17-R19 IonicContact OE1-NH2 3.49Å; E17-R19 PolarHBondContact OE1-NH2 2.94Å | ||
| 18 | S | 50.2 | Low | 51.2 | Low | 109 Ų | 109 | 116.9 Ų | 116.9 | 76% | 0.762 | 67% | 0.674 | S | S | * | * | trans | -77 | 99.9 | 167.8 | 53.7 | 0 | 0 | 0 | 0 | 108.4 | C16 G20 | C16-S18 PolarHBondContact O-N 3.3Å; S18-G20 PolarHBondContact O-N 2.75Å | ||
| 19 | R | 44.1 | Very low | 53.9 | Low | 199 Ų | 199 | 114.7 Ų | 114.7 | 75% | 0.751 | 66% | 0.656 | S | S | * | * | trans | -69.2 | 75.8 | 168.4 | -66.8 | -175.5 | -176.6 | -177.2 | 1.3 | 109.6 | E17 F21 | E17-R19 HydrophobicContact CG-CG 4.47Å; E17-R19 PolarHBondContact O-N 2.83Å; E17-R19 IonicContact OE1-CZ 2.71Å; E17-R19 IonicContact OE1-NE 2.95Å; E17-R19 PolarHBondContact OE1-NE 2.73Å; E17-R19 IonicContact OE1-NH2 3.49Å; E17-R19 PolarHBondContact OE1-NH2 2.94Å; R19-F21 PolarHBondContact O-N 2.8Å | ||
| 20 | G | 43.5 | Very low | 56.8 | Low | 55 Ų | 55 | 113.2 Ų | 113.2 | 57% | 0.567 | 64% | 0.641 | S | S | * | * | trans | -78.8 | 104.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | S18 S22 | S18-G20 PolarHBondContact O-N 2.75Å; G20-S22 PolarHBondContact O-N 3.28Å | ||
| 21 | F | 47.8 | Very low | 59.9 | Low | 183 Ų | 183 | 111.5 Ų | 111.5 | 80% | 0.803 | 62% | 0.623 | S | S | * | * | trans | -66.1 | 99.4 | 164.3 | -76.9 | -87.4 | 0 | 0 | 0 | 108.3 | R19 Y23 | R19-F21 PolarHBondContact O-N 2.8Å; F21-Y23 PolarHBondContact O-N 2.78Å | ||
| 22 | S | 45 | Very low | 62.6 | Low | 44 Ų | 44 | 107.8 Ų | 107.8 | 31% | 0.308 | 61% | 0.612 | S | S | . | * | trans | -75.4 | 109.7 | 169.5 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | G20 I24 C137 | G20-S22 PolarHBondContact O-N 3.28Å; S22-I24 PolarHBondContact O-N 2.87Å; S22-C137 PolarHBondContact OG-SG 2.95Å; S22-C137 VanDerWaalsContact OG-SG 3.4Å | ||
| 23 | Y | 58 | Low | 65.2 | Low | 119 Ų | 119 | 102.8 Ų | 102.8 | 47% | 0.467 | 57% | 0.57 | S | S | . | * | trans | -80.7 | 100.4 | 172 | -162.9 | -88.7 | 0 | 0 | 0 | 107.6 | F21 Q25 M196 | F21-Y23 PolarHBondContact O-N 2.78Å; Y23-Q25 HydrophobicContact CD1-CG 3.66Å; Y23-Q25 HydrophobicContact CE1-CG 4.05Å; Y23-Q25 PolarHBondContact O-N 3.09Å; Y23-Q25 VanDerWaalsContact O-N 3.07Å; Y23-M196 HydrophobicContact CE2-SD 4.24Å | ||
| 24 | I | 64.9 | Low | 67.9 | Low | 87 Ų | 87 | 104.4 Ų | 104.4 | 45% | 0.446 | 56% | 0.56 | S | S | . | * | trans | -68.7 | 105.9 | 171.6 | -57.1 | 177.1 | 0 | 0 | 0 | 106.4 | S22 Q26 V135 | S22-I24 PolarHBondContact O-N 2.87Å; I24-Q26 HydrophobicContact CG2-CG 4.08Å; I24-Q26 PolarHBondContact O-N 2.71Å; I24-V135 HydrophobicContact CD1-CG2 4.47Å | ||
| 25 | Q | 75.5 | Confident | 70.4 | Confident | 80 Ų | 80 | 101.3 Ų | 101.3 | 37% | 0.374 | 54% | 0.536 | S | S | . | . | trans | -78.1 | 109.8 | 171.5 | -68.4 | -171.4 | -12 | 0 | 0 | 108 | Y23 I40 | Y23-Q25 HydrophobicContact CD1-CG 3.66Å; Y23-Q25 HydrophobicContact CE1-CG 4.05Å; Y23-Q25 PolarHBondContact O-N 3.09Å; Y23-Q25 VanDerWaalsContact O-N 3.07Å; Q25-I40 HydrophobicContact CB-CD1 3.9Å; Q25-I40 HydrophobicContact CB-CG1 4.48Å | ||
| 26 | Q | 84.9 | Confident | 72.8 | Confident | 167 Ų | 167 | 97.1 Ų | 97.1 | 78% | 0.78 | 52% | 0.524 | S | S | * | . | trans | -97 | 139.4 | 167.6 | -67.7 | -178.2 | -20.3 | 0 | 0 | 108.8 | I24 | I24-Q26 HydrophobicContact CG2-CG 4.08Å; I24-Q26 PolarHBondContact O-N 2.71Å | ||
| 27 | A | 88.9 | Confident | 75.5 | Confident | 32 Ų | 32 | 96 Ų | 96 | 26% | 0.264 | 50% | 0.502 | S | S | . | . | trans | -140.5 | 128 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | I40 V49 W64 | A27-I40 HydrophobicContact CB-CD1 3.68Å; A27-V49 HydrophobicContact CB-CG2 4.02Å; A27-W64 HydrophobicContact CB-CD2 3.79Å; A27-W64 HydrophobicContact CB-CE3 4.33Å; A27-W64 HydrophobicContact CB-CG 4.04Å; A27-W64 HydrophobicContact CB-CZ2 4.07Å | ||
| 28 | T | 93.5 | Very high | 78 | Confident | 86 Ų | 86 | 93.9 Ų | 93.9 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | trans | -93.9 | 131.7 | 172 | -32.7 | 0 | 0 | 0 | 0 | 108.5 | G30 D31 W64 | T28-G30 PolarHBondContact O-N 2.69Å; T28-D31 WeakPolarHBondContact CB-OD2 3.36Å; T28-D31 WeakPolarHBondContact O-CB 3.46Å; T28-D31 PolarHBondContact O-N 2.85Å; T28-D31 VanDerWaalsContact O-N 3.12Å; T28-D31 PolarHBondContact OG1-OD2 3.22Å; T28-W64 VanDerWaalsContact O-CB 3.29Å; T28-W64 WeakPolarHBondContact O-CB 3.46Å | ||
| 29 | V | 94.3 | Very high | 80.2 | Confident | 74 Ų | 74 | 89.4 Ų | 89.4 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 130 | 172.8 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | V49 L66 | V29-V49 HydrophobicContact CG2-CG1 3.62Å; V29-L66 HydrophobicContact CG1-CB 4.28Å; V29-L66 HydrophobicContact CG2-CB 4.11Å |
| 30 | G | 94.8 | Very high | 82.6 | Confident | 44 Ų | 44 | 81.1 Ų | 81.1 | 45% | 0.454 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -14.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | T28 I63 W64 | T28-G30 PolarHBondContact O-N 2.69Å; G30-I63 WeakPolarHBondContact O-CG2 3.46Å; G30-W64 PolarHBondContact N-O 3.29Å |
| 31 | D | 95.3 | Very high | 85.1 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | trans | -73.6 | 154.1 | 177.4 | -80.2 | -12.8 | 0 | 0 | 0 | 112.4 | T28 I63 W64 | T28-D31 WeakPolarHBondContact CB-OD2 3.36Å; T28-D31 WeakPolarHBondContact O-CB 3.46Å; T28-D31 PolarHBondContact O-N 2.85Å; T28-D31 VanDerWaalsContact O-N 3.12Å; T28-D31 PolarHBondContact OG1-OD2 3.22Å; D31-I63 WeakPolarHBondContact O-CA 3.38Å; D31-W64 PolarHBondContact O-N 3Å | ||
| 32 | I | 93.5 | Very high | 87.3 | Confident | 130 Ų | 130 | 75.8 Ų | 75.8 | 67% | 0.667 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 135.2 | 174.8 | -59.7 | 172.9 | 0 | 0 | 0 | 109.4 | L61 G62 | I32-L61 HydrophobicContact CG2-CB 4.42Å; I32-L61 HydrophobicContact CG2-CD1 4.49Å; I32-L61 HydrophobicContact CG2-CD2 4.14Å; I32-G62 WeakPolarHBondContact CA-O 3.3Å |
| 33 | C | 95.2 | Very high | 89.4 | Confident | 8 Ų | 8 | 77 Ų | 77 | 5% | 0.054 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 162.7 | 179.4 | 54.3 | 0 | 0 | 0 | 0 | 111.3 | C51 L61 G62 I63 W64 | C33-C51 HydrophobicContact CB-CB 3.78Å; C33-C51 WeakPolarHBondContact CB-SG 3.04Å; C33-C51 WeakPolarHBondContact SG-CA 3.06Å; C33-C51 WeakPolarHBondContact SG-CB 3.33Å; C33-C51 CovalentContact SG-SG 2.01Å; C33-C51 PolarHBondContact SG-SG 3.21Å; C33-L61 CarbonylContact O-C 3.55Å; C33-L61 WeakPolarHBondContact O-CA 2.94Å; C33-G62 PolarHBondContact N-O 2.81Å; C33-G62 PolarHBondContact O-N 3.38Å; C33-G62 PolarHBondContact SG-O 2.83Å; C33-I63 PolarHBondContact SG-N 3.45Å; C33-I63 VanDerWaalsContact SG-N 3.4Å; C33-W64 HydrophobicContact CB-CD2 3.81Å; C33-W64 VanDerWaalsContact CB-CE2 3.43Å; C33-W64 HydrophobicContact CB-CG 3.97Å; C33-W64 HydrophobicContact CB-CZ2 3.93Å; C33-W64 PolarHBondContact SG-N 3.26Å; C33-W64 VanDerWaalsContact SG-N 3.37Å |
| 34 | Q | 94.4 | Very high | 91.2 | Very high | 96 Ų | 96 | 77.5 Ų | 77.5 | 45% | 0.449 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 134.9 | 168.2 | -65 | 175.1 | -42.9 | 0 | 0 | 108.7 | D36 R37 C51 N60 L61 | Q34-D36 WeakPolarHBondContact CB-OD1 3.27Å; Q34-D36 PolarHBondContact O-N 3.31Å; Q34-D36 VanDerWaalsContact O-N 3.11Å; Q34-R37 HydrophobicContact CB-CG 4.15Å; Q34-R37 VanDerWaalsContact O-CB 3.24Å; Q34-R37 WeakPolarHBondContact O-CB 3.49Å; Q34-R37 VanDerWaalsContact O-CG 3.25Å; Q34-R37 WeakPolarHBondContact O-CG 3.22Å; Q34-R37 PolarHBondContact O-N 3.13Å; Q34-C51 PolarHBondContact O-SG 2.85Å; Q34-N60 WeakPolarHBondContact CA-O 3.35Å; Q34-L61 HydrophobicContact CG-CD2 4.3Å |
| 35 | I | 92.8 | Very high | 92.6 | Very high | 61 Ų | 61 | 76.8 Ų | 76.8 | 31% | 0.313 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -25.9 | -172.6 | -68.9 | 168.1 | 0 | 0 | 0 | 112.5 | R37 Q53 N60 | I35-R37 PolarHBondContact O-N 2.97Å; I35-Q53 HydrophobicContact CD1-CB 3.7Å; I35-Q53 HydrophobicContact CD1-CG 3.67Å; I35-Q53 HydrophobicContact CG1-CB 4.3Å; I35-N60 PolarHBondContact N-O 2.67Å |
| 36 | D | 93 | Very high | 93.7 | Very high | 118 Ų | 118 | 75.7 Ų | 75.7 | 63% | 0.631 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -2.7 | 178 | 67 | -19.6 | 0 | 0 | 0 | 114 | Q34 | Q34-D36 WeakPolarHBondContact CB-OD1 3.27Å; Q34-D36 PolarHBondContact O-N 3.31Å; Q34-D36 VanDerWaalsContact O-N 3.11Å |
| 37 | R | 93.7 | Very high | 94.3 | Very high | 100 Ų | 100 | 68.2 Ų | 68.2 | 38% | 0.377 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 140 | 178.2 | -68.2 | -71.3 | -174.8 | 150.2 | 4 | 111.6 | Q34 I35 W64 | Q34-R37 HydrophobicContact CB-CG 4.15Å; Q34-R37 VanDerWaalsContact O-CB 3.24Å; Q34-R37 WeakPolarHBondContact O-CB 3.49Å; Q34-R37 VanDerWaalsContact O-CG 3.25Å; Q34-R37 WeakPolarHBondContact O-CG 3.22Å; Q34-R37 PolarHBondContact O-N 3.13Å; I35-R37 PolarHBondContact O-N 2.97Å; R37-W64 HydrophobicContact CB-CH2 3.65Å; R37-W64 HydrophobicContact CB-CZ2 3.93Å; R37-W64 HydrophobicContact CG-CZ2 4.36Å |
| 38 | F | 94.5 | Very high | 94.7 | Very high | 97 Ų | 97 | 68.2 Ų | 68.2 | 43% | 0.425 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 147.6 | 179.6 | -56.4 | -56.6 | 0 | 0 | 0 | 111.6 | W64 R80 | F38-W64 WeakPolarHBondContact O-CH2 3.38Å; F38-R80 VanDerWaalsContact CD2-NH1 3.27Å |
| 39 | A | 96.3 | Very high | 94.9 | Very high | 16 Ų | 16 | 64.3 Ų | 64.3 | 13% | 0.132 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 141.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | Y48 V49 Q50 F75 | A39-Y48 HydrophobicContact CB-CD2 3.81Å; A39-Y48 HydrophobicContact CB-CE2 4.29Å; A39-V49 CarbonylContact C-O 3.55Å; A39-V49 WeakPolarHBondContact CA-O 3.43Å; A39-Q50 HydrophobicContact CB-CB 4.39Å; A39-F75 HydrophobicContact CB-CE2 3.98Å; A39-F75 HydrophobicContact CB-CZ 3.59Å |
| 40 | I | 95.5 | Very high | 95 | Very high | 24 Ų | 24 | 64.6 Ų | 64.6 | 12% | 0.123 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 135.1 | -175.6 | -57.4 | 164.3 | 0 | 0 | 0 | 107.9 | Q25 A27 Y48 V49 W64 | Q25-I40 HydrophobicContact CB-CD1 3.9Å; Q25-I40 HydrophobicContact CB-CG1 4.48Å; A27-I40 HydrophobicContact CB-CD1 3.68Å; I40-Y48 CarbonylContact O-C 3.41Å; I40-Y48 WeakPolarHBondContact O-CA 3.38Å; I40-Y48 WeakPolarHBondContact O-CB 3.48Å; I40-V49 HydrophobicContact CB-CG2 3.72Å; I40-V49 HydrophobicContact CG2-CG2 4.49Å; I40-V49 PolarHBondContact N-O 3.1Å; I40-V49 PolarHBondContact O-N 3.01Å; I40-W64 HydrophobicContact CD1-CH2 3.9Å; I40-W64 HydrophobicContact CD1-CZ2 4.21Å; I40-W64 HydrophobicContact CD1-CZ3 4.41Å; I40-W64 HydrophobicContact CG1-CH2 4.46Å |
| 41 | P | 95.4 | Very high | 95.1 | Very high | 46 Ų | 46 | 62.9 Ų | 62.9 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 141.6 | 175.4 | 26.7 | -34.1 | 0 | 0 | 0 | 110.8 | F75 A77 L136 | P41-F75 HydrophobicContact CB-CD1 4.06Å; P41-F75 HydrophobicContact CB-CE1 4.33Å; P41-A77 HydrophobicContact CG-CB 4.23Å; P41-L136 HydrophobicContact CG-CD1 3.69Å |
| 42 | H | 94.2 | Very high | 95.1 | Very high | 81 Ų | 81 | 61.4 Ų | 61.4 | 38% | 0.375 | 34% | 0.336 | S | S | . | . | trans | -119.4 | 135.8 | 177.9 | 176.8 | -89.7 | 0 | 0 | 0 | 108.3 | E44 T47 V49 L66 | H42-E44 CarbonylContact O-C 3.57Å; H42-E44 PolarHBondContact O-N 2.85Å; H42-T47 PolarHBondContact N-O 2.63Å; H42-T47 VanDerWaalsContact N-O 3.13Å; H42-T47 PolarHBondContact ND1-OG1 3.37Å; H42-T47 PolarHBondContact O-OG1 3.33Å; H42-V49 HydrophobicContact CB-CG1 4.27Å; H42-L66 HydrophobicContact CB-CD1 3.9Å | ||
| 43 | G | 89.7 | Confident | 95.2 | Very high | 69 Ų | 69 | 59 Ų | 59 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 19.2 | -58 | 174.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||
| 44 | E | 94.9 | Very high | 94.7 | Very high | 130 Ų | 130 | 62.4 Ų | 62.4 | 61% | 0.607 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -97.3 | 143.2 | 179.9 | -58.2 | 174.4 | -174.6 | 0 | 0 | 112.6 | H42 T46 T47 | H42-E44 CarbonylContact O-C 3.57Å; H42-E44 PolarHBondContact O-N 2.85Å; E44-T46 PolarHBondContact O-N 2.9Å; E44-T47 HydrophobicContact CB-CG2 4.08Å; E44-T47 PolarHBondContact O-N 2.98Å; E44-T47 PolarHBondContact O-OG1 3.32Å |
| 45 | A | 95 | Very high | 94.2 | Very high | 71 Ų | 71 | 61.9 Ų | 61.9 | 59% | 0.587 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I74 F75 | A45-I74 HydrophobicContact CB-CG2 4.26Å; A45-I74 WeakPolarHBondContact O-CA 3.49Å; A45-F75 PolarHBondContact O-N 3.2Å |
| 46 | T | 97.2 | Very high | 93.6 | Very high | 58 Ų | 58 | 65.3 Ų | 65.3 | 36% | 0.356 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -3.7 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | E44 S68 C69 | E44-T46 PolarHBondContact O-N 2.9Å; T46-S68 CarbonylContact O-C 3.55Å; T46-S68 WeakPolarHBondContact O-CA 3.34Å; T46-C69 WeakPolarHBondContact O-CB 3.45Å; T46-C69 PolarHBondContact O-N 2.97Å |
| 47 | T | 97.6 | Very high | 92.8 | Very high | 9 Ų | 9 | 66.3 Ų | 66.3 | 6% | 0.055 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 145.4 | -176.5 | 70.2 | 0 | 0 | 0 | 0 | 112.1 | H42 E44 K67 | H42-T47 PolarHBondContact N-O 2.63Å; H42-T47 VanDerWaalsContact N-O 3.13Å; H42-T47 PolarHBondContact ND1-OG1 3.37Å; H42-T47 PolarHBondContact O-OG1 3.33Å; E44-T47 HydrophobicContact CB-CG2 4.08Å; E44-T47 PolarHBondContact O-N 2.98Å; E44-T47 PolarHBondContact O-OG1 3.32Å; T47-K67 WeakPolarHBondContact CA-O 3.2Å |
| 48 | Y | 97.7 | Very high | 91.7 | Very high | 33 Ų | 33 | 70 Ų | 70 | 13% | 0.129 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 157.4 | 177.7 | 65.5 | -83 | 0 | 0 | 0 | 110.2 | A39 I40 Q50 K67 F75 C82 | A39-Y48 HydrophobicContact CB-CD2 3.81Å; A39-Y48 HydrophobicContact CB-CE2 4.29Å; I40-Y48 CarbonylContact O-C 3.41Å; I40-Y48 WeakPolarHBondContact O-CA 3.38Å; I40-Y48 WeakPolarHBondContact O-CB 3.48Å; Y48-Q50 HydrophobicContact CD2-CB 4.21Å; Y48-Q50 HydrophobicContact CE2-CB 3.96Å; Y48-K67 HydrophobicContact CD1-CB 4.11Å; Y48-K67 HydrophobicContact CD2-CB 4.06Å; Y48-K67 HydrophobicContact CE1-CB 3.62Å; Y48-K67 HydrophobicContact CE2-CB 3.6Å; Y48-K67 HydrophobicContact CE2-CG 4.02Å; Y48-K67 HydrophobicContact CG-CB 4.31Å; Y48-K67 PolarHBondContact N-O 2.78Å; Y48-K67 PolarHBondContact O-N 2.91Å; Y48-K67 VanDerWaalsContact O-O 3.1Å; Y48-F75 HydrophobicContact CD1-CB 4.33Å; Y48-F75 AromaticContact CD1-CD2 3.43Å; Y48-F75 HydrophobicContact CD1-CD2 3.43Å; Y48-F75 VanDerWaalsContact CD1-CD2 3.43Å; Y48-F75 AromaticContact CD1-CE2 3.96Å; Y48-F75 HydrophobicContact CD1-CE2 3.96Å; Y48-F75 HydrophobicContact CD1-CG 4.03Å; Y48-F75 HydrophobicContact CD2-CD2 4.04Å; Y48-F75 AromaticContact CD2-CE2 3.67Å; Y48-F75 HydrophobicContact CD2-CE2 3.67Å; Y48-F75 HydrophobicContact CD2-CZ 4.25Å; Y48-F75 HydrophobicContact CE1-CD2 4.08Å; Y48-F75 HydrophobicContact CE1-CE2 4.5Å; Y48-F75 HydrophobicContact CE2-CE2 4.21Å; Y48-F75 AromaticContact CG-CD2 3.41Å; Y48-F75 HydrophobicContact CG-CD2 3.41Å; Y48-F75 VanDerWaalsContact CG-CD2 3.41Å; Y48-F75 AromaticContact CG-CE2 3.5Å; Y48-F75 HydrophobicContact CG-CE2 3.5Å; Y48-F75 AromaticContact CG-CG 3.97Å; Y48-F75 HydrophobicContact CG-CG 3.97Å; Y48-F75 HydrophobicContact CG-CZ 4.14Å; Y48-C82 WeakPolarHBondContact CE1-SG 3.33Å |
| 49 | V | 97.3 | Very high | 91 | Very high | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.024 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 134.5 | 172.9 | -64.7 | 0 | 0 | 0 | 0 | 110 | A27 V29 A39 I40 H42 W64 T65 L66 | A27-V49 HydrophobicContact CB-CG2 4.02Å; V29-V49 HydrophobicContact CG2-CG1 3.62Å; A39-V49 CarbonylContact C-O 3.55Å; A39-V49 WeakPolarHBondContact CA-O 3.43Å; I40-V49 HydrophobicContact CB-CG2 3.72Å; I40-V49 HydrophobicContact CG2-CG2 4.49Å; I40-V49 PolarHBondContact N-O 3.1Å; I40-V49 PolarHBondContact O-N 3.01Å; H42-V49 HydrophobicContact CB-CG1 4.27Å; V49-W64 HydrophobicContact CB-CE3 4.29Å; V49-W64 HydrophobicContact CG2-CE3 4.24Å; V49-T65 WeakPolarHBondContact CA-O 3.26Å; V49-L66 HydrophobicContact CG1-CD1 3.93Å |
| 50 | Q | 96.9 | Very high | 90.7 | Very high | 79 Ų | 79 | 76.2 Ų | 76.2 | 37% | 0.369 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 141.7 | -179.9 | -176.5 | 177.7 | 17.2 | 0 | 0 | 110.3 | A39 Y48 V52 W64 T65 K67 | A39-Q50 HydrophobicContact CB-CB 4.39Å; Y48-Q50 HydrophobicContact CD2-CB 4.21Å; Y48-Q50 HydrophobicContact CE2-CB 3.96Å; Q50-V52 PolarHBondContact O-N 3Å; Q50-W64 VanDerWaalsContact C-CE3 3.48Å; Q50-T65 PolarHBondContact N-O 3.21Å; Q50-T65 PolarHBondContact O-N 2.81Å; Q50-K67 HydrophobicContact CB-CG 4.34Å |
| 51 | C | 96.9 | Very high | 90.6 | Very high | 9 Ų | 9 | 78.7 Ų | 78.7 | 6% | 0.061 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 116 | 172.5 | -168 | 0 | 0 | 0 | 0 | 110.3 | C33 Q34 W64 | C33-C51 HydrophobicContact CB-CB 3.78Å; C33-C51 WeakPolarHBondContact CB-SG 3.04Å; C33-C51 WeakPolarHBondContact SG-CA 3.06Å; C33-C51 WeakPolarHBondContact SG-CB 3.33Å; C33-C51 CovalentContact SG-SG 2.01Å; C33-C51 PolarHBondContact SG-SG 3.21Å; Q34-C51 PolarHBondContact O-SG 2.85Å; C51-W64 HydrophobicContact CB-CE3 4.22Å; C51-W64 HydrophobicContact CB-CH2 4.48Å; C51-W64 HydrophobicContact CB-CZ3 4.14Å |
| 52 | V | 95.7 | Very high | 90.6 | Very high | 50 Ų | 50 | 76.6 Ų | 76.6 | 30% | 0.303 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.7 | -178.8 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | Q50 P54 G62 I63 | Q50-V52 PolarHBondContact O-N 3Å; V52-P54 WeakPolarHBondContact O-CD 3.43Å; V52-G62 CarbonylContact O-C 3.59Å; V52-G62 WeakPolarHBondContact O-CA 3.35Å; V52-I63 PolarHBondContact N-O 3.22Å; V52-I63 PolarHBondContact O-N 2.04Å |
| 53 | Q | 94.4 | Very high | 90.6 | Very high | 81 Ų | 81 | 75.8 Ų | 75.8 | 38% | 0.379 | 43% | 0.427 | S | S | . | . | trans | -72.8 | 118.1 | 176.3 | -169.5 | 173.8 | 25.5 | 0 | 0 | 109.9 | I35 T55 R58 | I35-Q53 HydrophobicContact CD1-CB 3.7Å; I35-Q53 HydrophobicContact CD1-CG 3.67Å; I35-Q53 HydrophobicContact CG1-CB 4.3Å; Q53-T55 WeakPolarHBondContact CG-O 3.46Å; Q53-R58 PolarHBondContact NE2-O 2.74Å | ||
| 54 | P | 85.4 | Confident | 91 | Very high | 78 Ų | 78 | 73.5 Ų | 73.5 | 51% | 0.506 | 40% | 0.397 | S | S | . | . | trans | -73.9 | -29 | -173.3 | 26.9 | -34.2 | 0 | 0 | 0 | 113.5 | V52 I63 | V52-P54 WeakPolarHBondContact O-CD 3.43Å; P54-I63 HydrophobicContact CB-CD1 4.02Å; P54-I63 HydrophobicContact CG-CD1 4.02Å; P54-I63 HydrophobicContact CG-CG1 4.2Å | ||
| 55 | T | 84.7 | Confident | 91.1 | Very high | 86 Ų | 86 | 69.6 Ų | 69.6 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -155.6 | 154.9 | -176.4 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | Q53 D57 | Q53-T55 WeakPolarHBondContact CG-O 3.46Å; T55-D57 PolarHBondContact O-N 2.85Å |
| 56 | V | 79.3 | Confident | 91.2 | Very high | 132 Ų | 132 | 69.7 Ų | 69.7 | 80% | 0.8 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.9 | -168.7 | -151.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 57 | D | 76.3 | Confident | 91.2 | Very high | 140 Ų | 140 | 70.7 Ų | 70.7 | 75% | 0.749 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 0.7 | -160.2 | -54.8 | -39.7 | 0 | 0 | 0 | 116.4 | T55 | T55-D57 PolarHBondContact O-N 2.85Š|
| 58 | R | 71.5 | Confident | 91.2 | Very high | 178 Ų | 178 | 74.4 Ų | 74.4 | 67% | 0.672 | 40% | 0.398 | S | S | * | . | trans | -123.9 | 108.2 | 177.3 | -66.8 | -170.2 | -178.9 | -168 | 1.7 | 111.2 | Q53 N60 | Q53-R58 PolarHBondContact NE2-O 2.74Å; R58-N60 VanDerWaalsContact C-N 3.27Å; R58-N60 PolarHBondContact O-N 3.31Å | ||
| 59 | V | 78.5 | Confident | 91.3 | Very high | 122 Ų | 122 | 73.5 Ų | 73.5 | 74% | 0.739 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15 | -158.6 | -159.6 | 0 | 0 | 0 | 0 | 115 | ||
| 60 | N | 90.4 | Very high | 91.3 | Very high | 121 Ų | 121 | 80.9 Ų | 80.9 | 65% | 0.647 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.8 | 7.3 | -173.7 | -67.8 | -51.6 | 0 | 0 | 0 | 115.8 | Q34 I35 R58 | Q34-N60 WeakPolarHBondContact CA-O 3.35Å; I35-N60 PolarHBondContact N-O 2.67Å; R58-N60 VanDerWaalsContact C-N 3.27Å; R58-N60 PolarHBondContact O-N 3.31Å |
| 61 | L | 93 | Very high | 91.3 | Very high | 75 Ų | 75 | 86.3 Ų | 86.3 | 39% | 0.393 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.8 | -177.3 | -63.6 | 176.7 | 0 | 0 | 0 | 111.2 | I32 C33 Q34 | I32-L61 HydrophobicContact CG2-CB 4.42Å; I32-L61 HydrophobicContact CG2-CD1 4.49Å; I32-L61 HydrophobicContact CG2-CD2 4.14Å; C33-L61 CarbonylContact O-C 3.55Å; C33-L61 WeakPolarHBondContact O-CA 2.94Å; Q34-L61 HydrophobicContact CG-CD2 4.3Å |
| 62 | G | 95.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 88.8 Ų | 88.8 | 2% | 0.021 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | -171.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | I32 C33 V52 | I32-G62 WeakPolarHBondContact CA-O 3.3Å; C33-G62 PolarHBondContact N-O 2.81Å; C33-G62 PolarHBondContact O-N 3.38Å; C33-G62 PolarHBondContact SG-O 2.83Å; V52-G62 CarbonylContact O-C 3.59Å; V52-G62 WeakPolarHBondContact O-CA 3.35Å |
| 63 | I | 95.2 | Very high | 91.3 | Very high | 64 Ų | 64 | 86.9 Ų | 86.9 | 33% | 0.328 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.9 | 175.4 | -59.7 | 175.4 | 0 | 0 | 0 | 108.3 | G30 D31 C33 V52 P54 T65 | G30-I63 WeakPolarHBondContact O-CG2 3.46Å; D31-I63 WeakPolarHBondContact O-CA 3.38Å; C33-I63 PolarHBondContact SG-N 3.45Å; C33-I63 VanDerWaalsContact SG-N 3.4Å; V52-I63 PolarHBondContact N-O 3.22Å; V52-I63 PolarHBondContact O-N 2.04Å; P54-I63 HydrophobicContact CB-CD1 4.02Å; P54-I63 HydrophobicContact CG-CD1 4.02Å; P54-I63 HydrophobicContact CG-CG1 4.2Å; I63-T65 PolarHBondContact O-N 2.93Å; I63-T65 VanDerWaalsContact O-N 3.1Å; I63-T65 PolarHBondContact O-OG1 3.09Å; I63-T65 VanDerWaalsContact O-OG1 3.12Å |
| 64 | W | 97.3 | Very high | 91.4 | Very high | 21 Ų | 21 | 86 Ų | 86 | 8% | 0.08 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 113 | 173.3 | -76.6 | 122.3 | 0 | 0 | 0 | 109.4 | A27 T28 G30 D31 C33 R37 F38 I40 V49 Q50 C51 | A27-W64 HydrophobicContact CB-CD2 3.79Å; A27-W64 HydrophobicContact CB-CE3 4.33Å; A27-W64 HydrophobicContact CB-CG 4.04Å; A27-W64 HydrophobicContact CB-CZ2 4.07Å; T28-W64 VanDerWaalsContact O-CB 3.29Å; T28-W64 WeakPolarHBondContact O-CB 3.46Å; G30-W64 PolarHBondContact N-O 3.29Å; D31-W64 PolarHBondContact O-N 3Å; C33-W64 HydrophobicContact CB-CD2 3.81Å; C33-W64 VanDerWaalsContact CB-CE2 3.43Å; C33-W64 HydrophobicContact CB-CG 3.97Å; C33-W64 HydrophobicContact CB-CZ2 3.93Å; C33-W64 PolarHBondContact SG-N 3.26Å; C33-W64 VanDerWaalsContact SG-N 3.37Å; R37-W64 HydrophobicContact CB-CH2 3.65Å; R37-W64 HydrophobicContact CB-CZ2 3.93Å; R37-W64 HydrophobicContact CG-CZ2 4.36Å; F38-W64 WeakPolarHBondContact O-CH2 3.38Å; I40-W64 HydrophobicContact CD1-CH2 3.9Å; I40-W64 HydrophobicContact CD1-CZ2 4.21Å; I40-W64 HydrophobicContact CD1-CZ3 4.41Å; I40-W64 HydrophobicContact CG1-CH2 4.46Å; V49-W64 HydrophobicContact CB-CE3 4.29Å; V49-W64 HydrophobicContact CG2-CE3 4.24Å; Q50-W64 VanDerWaalsContact C-CE3 3.48Å; C51-W64 HydrophobicContact CB-CE3 4.22Å; C51-W64 HydrophobicContact CB-CH2 4.48Å; C51-W64 HydrophobicContact CB-CZ3 4.14Å |
| 65 | T | 97.1 | Very high | 92 | Very high | 48 Ų | 48 | 83.2 Ų | 83.2 | 29% | 0.294 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.3 | -177.8 | -53.1 | 0 | 0 | 0 | 0 | 108.9 | V49 Q50 I63 | V49-T65 WeakPolarHBondContact CA-O 3.26Å; Q50-T65 PolarHBondContact N-O 3.21Å; Q50-T65 PolarHBondContact O-N 2.81Å; I63-T65 PolarHBondContact O-N 2.93Å; I63-T65 VanDerWaalsContact O-N 3.1Å; I63-T65 PolarHBondContact O-OG1 3.09Å; I63-T65 VanDerWaalsContact O-OG1 3.12Å |
| 66 | L | 97.4 | Very high | 92.6 | Very high | 73 Ų | 73 | 80.8 Ų | 80.8 | 38% | 0.382 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 131.1 | 171.6 | -171.3 | 68 | 0 | 0 | 0 | 109.5 | V29 H42 V49 | V29-L66 HydrophobicContact CG1-CB 4.28Å; V29-L66 HydrophobicContact CG2-CB 4.11Å; H42-L66 HydrophobicContact CB-CD1 3.9Å; V49-L66 HydrophobicContact CG1-CD1 3.93Å |
| 67 | K | 98 | Very high | 93.2 | Very high | 80 Ų | 80 | 76.2 Ų | 76.2 | 35% | 0.348 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 146.5 | 177.5 | -66.3 | -65.3 | -174.5 | -179.9 | 0 | 108.9 | T47 Y48 Q50 | T47-K67 WeakPolarHBondContact CA-O 3.2Å; Y48-K67 HydrophobicContact CD1-CB 4.11Å; Y48-K67 HydrophobicContact CD2-CB 4.06Å; Y48-K67 HydrophobicContact CE1-CB 3.62Å; Y48-K67 HydrophobicContact CE2-CB 3.6Å; Y48-K67 HydrophobicContact CE2-CG 4.02Å; Y48-K67 HydrophobicContact CG-CB 4.31Å; Y48-K67 PolarHBondContact N-O 2.78Å; Y48-K67 PolarHBondContact O-N 2.91Å; Y48-K67 VanDerWaalsContact O-O 3.1Å; Q50-K67 HydrophobicContact CB-CG 4.34Å |
| 68 | S | 97.9 | Very high | 94 | Very high | 86 Ų | 86 | 74 Ų | 74 | 60% | 0.601 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 140.2 | 172.8 | -55.8 | 0 | 0 | 0 | 0 | 109.3 | T46 | T46-S68 CarbonylContact O-C 3.55Å; T46-S68 WeakPolarHBondContact O-CA 3.34Å |
| 69 | C | 98.1 | Very high | 95.1 | Very high | 15 Ų | 15 | 72.3 Ų | 72.3 | 10% | 0.101 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 153.3 | 169.8 | -72.9 | 0 | 0 | 0 | 0 | 110.9 | T46 T73 C82 | T46-C69 WeakPolarHBondContact O-CB 3.45Å; T46-C69 PolarHBondContact O-N 2.97Å; C69-T73 WeakPolarHBondContact CB-OG1 3.5Å; C69-C82 WeakPolarHBondContact CA-SG 3.36Å; C69-C82 HydrophobicContact CB-CB 3.72Å; C69-C82 WeakPolarHBondContact CB-SG 3.19Å; C69-C82 WeakPolarHBondContact SG-CB 3.41Å; C69-C82 CovalentContact SG-SG 2.04Å; C69-C82 PolarHBondContact SG-SG 3.37Å |
| 70 | E | 97.8 | Very high | 95.8 | Very high | 158 Ų | 158 | 72.1 Ų | 72.1 | 74% | 0.738 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 151.9 | 173.6 | -170.3 | 179.1 | -177.6 | 0 | 0 | 110.3 | G72 T73 | E70-G72 PolarHBondContact O-N 3.22Å; E70-T73 PolarHBondContact N-OG1 2.95Å; E70-T73 WeakPolarHBondContact O-CB 3.43Å; E70-T73 PolarHBondContact O-N 2.86Å; E70-T73 PolarHBondContact O-OG1 3.13Å |
| 71 | E | 96.5 | Very high | 96.1 | Very high | 193 Ų | 193 | 71.1 Ų | 71.1 | 90% | 0.902 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 130.6 | -180 | -63.7 | -173.7 | 171.7 | 0 | 0 | 111.8 | T73 | E71-T73 VanDerWaalsContact C-N 3.35Š|
| 72 | G | 95.9 | Very high | 96.3 | Very high | 61 Ų | 61 | 68.9 Ų | 68.9 | 63% | 0.629 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 5.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E70 L85 | E70-G72 PolarHBondContact O-N 3.22Å; G72-L85 PolarHBondContact O-N 2.6Å; G72-L85 VanDerWaalsContact O-N 3.13Å |
| 73 | T | 97.7 | Very high | 96.4 | Very high | 10 Ų | 10 | 70.4 Ų | 70.4 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 146.3 | 173.2 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | C69 E70 E71 T83 K84 | C69-T73 WeakPolarHBondContact CB-OG1 3.5Å; E70-T73 PolarHBondContact N-OG1 2.95Å; E70-T73 WeakPolarHBondContact O-CB 3.43Å; E70-T73 PolarHBondContact O-N 2.86Å; E70-T73 PolarHBondContact O-OG1 3.13Å; E71-T73 VanDerWaalsContact C-N 3.35Å; T73-T83 CarbonylContact C-O 3.58Å; T73-T83 WeakPolarHBondContact CA-O 3.1Å; T73-T83 WeakPolarHBondContact CB-O 3.39Å; T73-K84 HydrophobicContact CG2-CB 4.45Å; T73-K84 HydrophobicContact CG2-CG 3.76Å |
| 74 | I | 97 | Very high | 96.5 | Very high | 63 Ų | 63 | 75.5 Ų | 75.5 | 32% | 0.323 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 148.8 | 173.8 | 59.3 | 162.5 | 0 | 0 | 0 | 109.9 | A45 D76 C82 T83 L85 | A45-I74 HydrophobicContact CB-CG2 4.26Å; A45-I74 WeakPolarHBondContact O-CA 3.49Å; I74-D76 PolarHBondContact O-N 3.17Å; I74-C82 CarbonylContact O-C 3.44Å; I74-C82 WeakPolarHBondContact O-CA 3.41Å; I74-T83 PolarHBondContact N-O 3.46Å; I74-T83 PolarHBondContact O-N 2.98Å; I74-T83 PolarHBondContact O-OG1 3.13Å; I74-L85 HydrophobicContact CB-CD1 4.44Å; I74-L85 HydrophobicContact CD1-CD1 3.6Å; I74-L85 HydrophobicContact CG1-CD1 3.87Å; I74-L85 HydrophobicContact CG2-CD1 3.71Å |
| 75 | F | 97.6 | Very high | 96.1 | Very high | 19 Ų | 19 | 79.4 Ų | 79.4 | 8% | 0.083 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 113.9 | 177.9 | -173.9 | -102.2 | 0 | 0 | 0 | 110.7 | A39 P41 A45 Y48 A77 | A39-F75 HydrophobicContact CB-CE2 3.98Å; A39-F75 HydrophobicContact CB-CZ 3.59Å; P41-F75 HydrophobicContact CB-CD1 4.06Å; P41-F75 HydrophobicContact CB-CE1 4.33Å; A45-F75 PolarHBondContact O-N 3.2Å; Y48-F75 HydrophobicContact CD1-CB 4.33Å; Y48-F75 AromaticContact CD1-CD2 3.43Å; Y48-F75 HydrophobicContact CD1-CD2 3.43Å; Y48-F75 VanDerWaalsContact CD1-CD2 3.43Å; Y48-F75 AromaticContact CD1-CE2 3.96Å; Y48-F75 HydrophobicContact CD1-CE2 3.96Å; Y48-F75 HydrophobicContact CD1-CG 4.03Å; Y48-F75 HydrophobicContact CD2-CD2 4.04Å; Y48-F75 AromaticContact CD2-CE2 3.67Å; Y48-F75 HydrophobicContact CD2-CE2 3.67Å; Y48-F75 HydrophobicContact CD2-CZ 4.25Å; Y48-F75 HydrophobicContact CE1-CD2 4.08Å; Y48-F75 HydrophobicContact CE1-CE2 4.5Å; Y48-F75 HydrophobicContact CE2-CE2 4.21Å; Y48-F75 AromaticContact CG-CD2 3.41Å; Y48-F75 HydrophobicContact CG-CD2 3.41Å; Y48-F75 VanDerWaalsContact CG-CD2 3.41Å; Y48-F75 AromaticContact CG-CE2 3.5Å; Y48-F75 HydrophobicContact CG-CE2 3.5Å; Y48-F75 AromaticContact CG-CG 3.97Å; Y48-F75 HydrophobicContact CG-CG 3.97Å; Y48-F75 HydrophobicContact CG-CZ 4.14Å; F75-A77 HydrophobicContact CE1-CB 4.42Å; F75-A77 PolarHBondContact O-N 3.03Å |
| 76 | D | 96.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 82 Ų | 82 | 19% | 0.193 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 103.4 | 175.6 | -179 | -20.6 | 0 | 0 | 0 | 108.8 | I74 A78 K79 R80 N81 T83 | I74-D76 PolarHBondContact O-N 3.17Å; D76-A78 PolarHBondContact O-N 3.29Å; D76-A78 WeakPolarHBondContact OD1-CB 3.29Å; D76-A78 PolarHBondContact OD1-N 3.37Å; D76-K79 HydrophobicContact CB-CB 4.15Å; D76-K79 CarbonylContact O-C 3.56Å; D76-K79 PolarHBondContact O-N 3.4Å; D76-K79 VanDerWaalsContact O-N 3.13Å; D76-K79 PolarHBondContact OD1-N 2.94Å; D76-K79 WeakPolarHBondContact OD2-CD 3.49Å; D76-K79 VanDerWaalsContact OD2-CE 3.26Å; D76-K79 WeakPolarHBondContact OD2-CE 2.91Å; D76-K79 WeakPolarHBondContact OD2-CG 3.3Å; D76-K79 IonicContact OD2-NZ 3.09Å; D76-K79 PolarHBondContact OD2-NZ 2.98Å; D76-R80 WeakPolarHBondContact O-CA 2.87Å; D76-R80 PolarHBondContact O-N 3.2Å; D76-N81 PolarHBondContact N-O 3.34Å; D76-T83 HydrophobicContact CB-CG2 3.94Å |
| 77 | A | 93.1 | Very high | 94.2 | Very high | 36 Ų | 36 | 87 Ų | 87 | 30% | 0.298 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P41 F75 L136 | P41-A77 HydrophobicContact CG-CB 4.23Å; F75-A77 HydrophobicContact CE1-CB 4.42Å; F75-A77 PolarHBondContact O-N 3.03Å; A77-L136 HydrophobicContact CB-CD1 4.45Å |
| 78 | A | 91.9 | Very high | 92.2 | Very high | 94 Ų | 94 | 86 Ų | 86 | 78% | 0.777 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D76 | D76-A78 PolarHBondContact O-N 3.29Å; D76-A78 WeakPolarHBondContact OD1-CB 3.29Å; D76-A78 PolarHBondContact OD1-N 3.37Å |
| 79 | K | 94.4 | Very high | 90 | Very high | 142 Ų | 142 | 89 Ų | 89 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -15.2 | 177 | -65.7 | 179.7 | -166.4 | 133.7 | 0 | 114 | D76 N81 T83 | D76-K79 HydrophobicContact CB-CB 4.15Å; D76-K79 CarbonylContact O-C 3.56Å; D76-K79 PolarHBondContact O-N 3.4Å; D76-K79 VanDerWaalsContact O-N 3.13Å; D76-K79 PolarHBondContact OD1-N 2.94Å; D76-K79 WeakPolarHBondContact OD2-CD 3.49Å; D76-K79 VanDerWaalsContact OD2-CE 3.26Å; D76-K79 WeakPolarHBondContact OD2-CE 2.91Å; D76-K79 WeakPolarHBondContact OD2-CG 3.3Å; D76-K79 IonicContact OD2-NZ 3.09Å; D76-K79 PolarHBondContact OD2-NZ 2.98Å; K79-N81 PolarHBondContact O-N 2.92Å; K79-T83 HydrophobicContact CD-CG2 3.9Å |
| 80 | R | 93.9 | Very high | 87.9 | Confident | 117 Ų | 117 | 97.3 Ų | 97.3 | 44% | 0.442 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 37.6 | -176.6 | -58.8 | 168.1 | 173.5 | 165.6 | -5.7 | 112.6 | F38 D76 | F38-R80 VanDerWaalsContact CD2-NH1 3.27Å; D76-R80 WeakPolarHBondContact O-CA 2.87Å; D76-R80 PolarHBondContact O-N 3.2Å |
| 81 | N | 96.5 | Very high | 85.7 | Confident | 100 Ų | 100 | 96.8 Ų | 96.8 | 54% | 0.535 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 156.9 | -179.2 | -164.2 | 8.2 | 0 | 0 | 0 | 110.2 | D76 K79 T83 | D76-N81 PolarHBondContact N-O 3.34Å; K79-N81 PolarHBondContact O-N 2.92Å; N81-T83 PolarHBondContact O-N 3.12Å |
| 82 | C | 97.8 | Very high | 83.4 | Confident | 28 Ų | 28 | 90.7 Ų | 90.7 | 19% | 0.189 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 124.1 | 171 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | Y48 C69 I74 | Y48-C82 WeakPolarHBondContact CE1-SG 3.33Å; C69-C82 WeakPolarHBondContact CA-SG 3.36Å; C69-C82 HydrophobicContact CB-CB 3.72Å; C69-C82 WeakPolarHBondContact CB-SG 3.19Å; C69-C82 WeakPolarHBondContact SG-CB 3.41Å; C69-C82 CovalentContact SG-SG 2.04Å; C69-C82 PolarHBondContact SG-SG 3.37Å; I74-C82 CarbonylContact O-C 3.44Å; I74-C82 WeakPolarHBondContact O-CA 3.41Å |
| 83 | T | 97.5 | Very high | 81.2 | Confident | 35 Ų | 35 | 97.2 Ų | 97.2 | 22% | 0.215 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140.6 | 176.8 | 53.7 | 0 | 0 | 0 | 0 | 109.9 | T73 I74 D76 K79 N81 L85 | T73-T83 CarbonylContact C-O 3.58Å; T73-T83 WeakPolarHBondContact CA-O 3.1Å; T73-T83 WeakPolarHBondContact CB-O 3.39Å; I74-T83 PolarHBondContact N-O 3.46Å; I74-T83 PolarHBondContact O-N 2.98Å; I74-T83 PolarHBondContact O-OG1 3.13Å; D76-T83 HydrophobicContact CB-CG2 3.94Å; K79-T83 HydrophobicContact CD-CG2 3.9Å; N81-T83 PolarHBondContact O-N 3.12Å; T83-L85 PolarHBondContact O-N 3.46Å |
| 84 | K | 96.5 | Very high | 79.2 | Confident | 171 Ų | 171 | 105.1 Ų | 105.1 | 74% | 0.743 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -55.8 | 133.1 | 171 | -71.9 | -173.8 | 177 | -167.8 | 0 | 108.8 | T73 S86 | T73-K84 HydrophobicContact CG2-CB 4.45Å; T73-K84 HydrophobicContact CG2-CG 3.76Å; K84-S86 VanDerWaalsContact C-N 3.28Å; K84-S86 PolarHBondContact O-N 2.97Å |
| 85 | L | 89.9 | Confident | 77.2 | Confident | 102 Ų | 102 | 107.1 Ų | 107.1 | 53% | 0.534 | 57% | 0.574 | S | S | . | * | trans | -59.7 | 104 | 164.6 | -151.8 | 87.2 | 0 | 0 | 0 | 104.2 | G72 I74 T83 Q87 | G72-L85 PolarHBondContact O-N 2.6Å; G72-L85 VanDerWaalsContact O-N 3.13Å; I74-L85 HydrophobicContact CB-CD1 4.44Å; I74-L85 HydrophobicContact CD1-CD1 3.6Å; I74-L85 HydrophobicContact CG1-CD1 3.87Å; I74-L85 HydrophobicContact CG2-CD1 3.71Å; T83-L85 PolarHBondContact O-N 3.46Å; L85-Q87 PolarHBondContact O-N 2.84Å | ||
| 86 | S | 84.3 | Confident | 75.2 | Confident | 104 Ų | 104 | 110.6 Ų | 110.6 | 73% | 0.727 | 60% | 0.601 | S | S | * | * | trans | -59.5 | 101.5 | 162.5 | 50 | 0 | 0 | 0 | 0 | 103.1 | K84 G88 | K84-S86 VanDerWaalsContact C-N 3.28Å; K84-S86 PolarHBondContact O-N 2.97Å; S86-G88 VanDerWaalsContact C-N 3.26Å; S86-G88 PolarHBondContact O-N 2.82Å | ||
| 87 | Q | 69.5 | Low | 73.5 | Confident | 177 Ų | 177 | 118.3 Ų | 118.3 | 83% | 0.827 | 63% | 0.633 | S | S | * | * | trans | -45.3 | 112.6 | 156.8 | -72.1 | -177.3 | -20.9 | 0 | 0 | 102.3 | L85 E89 | L85-Q87 PolarHBondContact O-N 2.84Å; Q87-E89 PolarHBondContact O-N 2.95Å | ||
| 88 | G | 57.2 | Low | 71.7 | Confident | 60 Ų | 60 | 123.3 Ų | 123.3 | 62% | 0.619 | 66% | 0.655 | S | S | * | * | trans | -45.3 | 121.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 104.1 | S86 E90 | S86-G88 VanDerWaalsContact C-N 3.26Å; S86-G88 PolarHBondContact O-N 2.82Å; G88-E90 PolarHBondContact O-N 3.1Å | ||
| 89 | E | 51.5 | Low | 69.5 | Low | 147 Ų | 147 | 122.9 Ų | 122.9 | 69% | 0.687 | 65% | 0.651 | S | S | * | * | trans | -52.5 | 91.5 | 141.2 | -89.8 | -174.6 | 108.8 | 0 | 0 | 102.5 | Q87 K91 | Q87-E89 PolarHBondContact O-N 2.95Å; E89-K91 HydrophobicContact CB-CB 4.49Å; E89-K91 HydrophobicContact CB-CG 4.18Å; E89-K91 VanDerWaalsContact CD-NZ 3.25Å; E89-K91 PolarHBondContact O-N 3.23Å; E89-K91 VanDerWaalsContact OE1-CE 3.27Å; E89-K91 WeakPolarHBondContact OE1-CE 3.16Å; E89-K91 IonicContact OE1-NZ 2.96Å; E89-K91 PolarHBondContact OE1-NZ 2.73Å; E89-K91 IonicContact OE2-NZ 3.07Å; E89-K91 PolarHBondContact OE2-NZ 3.08Å; E89-K91 VanDerWaalsContact OE2-NZ 3.09Å | ||
| 90 | E | 54 | Low | 67.2 | Low | 190 Ų | 190 | 121 Ų | 121 | 89% | 0.888 | 66% | 0.662 | S | S | * | * | trans | -54.7 | 69.2 | 137.1 | -79 | -170.4 | 142.8 | 0 | 0 | 104.7 | G88 G92 | G88-E90 PolarHBondContact O-N 3.1Å; E90-G92 PolarHBondContact O-N 3.29Å | ||
| 91 | K | 51.3 | Low | 65.2 | Low | 148 Ų | 148 | 123.7 Ų | 123.7 | 64% | 0.643 | 68% | 0.679 | S | S | * | * | trans | -61.9 | 94.7 | 149.7 | -97.4 | 178 | 169.7 | 115.1 | 0 | 101.6 | E89 F93 | E89-K91 HydrophobicContact CB-CB 4.49Å; E89-K91 HydrophobicContact CB-CG 4.18Å; E89-K91 VanDerWaalsContact CD-NZ 3.25Å; E89-K91 PolarHBondContact O-N 3.23Å; E89-K91 VanDerWaalsContact OE1-CE 3.27Å; E89-K91 WeakPolarHBondContact OE1-CE 3.16Å; E89-K91 IonicContact OE1-NZ 2.96Å; E89-K91 PolarHBondContact OE1-NZ 2.73Å; E89-K91 IonicContact OE2-NZ 3.07Å; E89-K91 PolarHBondContact OE2-NZ 3.08Å; E89-K91 VanDerWaalsContact OE2-NZ 3.09Å; K91-F93 PolarHBondContact O-N 2.95Å | ||
| 92 | G | 47.3 | Very low | 62.8 | Low | 65 Ų | 65 | 127.8 Ų | 127.8 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | trans | -40.4 | 114.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | E90 E94 | E90-G92 PolarHBondContact O-N 3.29Å; G92-E94 PolarHBondContact O-N 3.13Å | ||
| 93 | F | 49.7 | Very low | 60.1 | Low | 197 Ų | 197 | 131.5 Ų | 131.5 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -67.5 | 81.2 | 167.7 | -163 | -93.2 | 0 | 0 | 0 | 104.3 | K91 P95 | K91-F93 PolarHBondContact O-N 2.95Å; F93-P95 WeakPolarHBondContact O-CD 2.93Å | ||
| 94 | E | 56.5 | Low | 57.6 | Low | 176 Ų | 176 | 135.5 Ų | 135.5 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | -56.5 | 122.1 | 165.2 | -99.3 | -152.7 | 131.6 | 0 | 0 | 105.2 | G92 S96 | G92-E94 PolarHBondContact O-N 3.13Å; E94-S96 VanDerWaalsContact C-N 3.28Å; E94-S96 PolarHBondContact O-N 3.24Å | ||
| 95 | P | 54.9 | Low | 55.1 | Low | 106 Ų | 106 | 130.6 Ų | 130.6 | 69% | 0.688 | 72% | 0.721 | S | S | * | * | trans | -65.4 | 97.5 | 174 | 26.4 | -30.5 | 0 | 0 | 0 | 106.8 | F93 K97 | F93-P95 WeakPolarHBondContact O-CD 2.93Å; P95-K97 PolarHBondContact O-N 2.98Å | ||
| 96 | S | 55.9 | Low | 53 | Low | 92 Ų | 92 | 137.5 Ų | 137.5 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | trans | -56 | 126.1 | 169.6 | -172.2 | 0 | 0 | 0 | 0 | 107.6 | E94 D98 | E94-S96 VanDerWaalsContact C-N 3.28Å; E94-S96 PolarHBondContact O-N 3.24Å; S96-D98 PolarHBondContact O-N 3.1Å | ||
| 97 | K | 60 | Low | 50.7 | Low | 197 Ų | 197 | 136.6 Ų | 136.6 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -73.1 | 20.8 | -174 | -73.3 | 179.5 | 176.1 | 173.7 | 0 | 114 | P95 A99 | P95-K97 PolarHBondContact O-N 2.98Å; K97-A99 WeakPolarHBondContact O-CB 3.33Å |
| 98 | D | 54.4 | Low | 49.6 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -107 | 69.3 | 172.4 | -58.7 | -36.7 | 0 | 0 | 0 | 107.8 | S96 | S96-D98 PolarHBondContact O-N 3.1Š| ||
| 99 | A | 45.9 | Very low | 48.8 | Very low | 85 Ų | 85 | 141.2 Ų | 141.2 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | 47.5 | 89.2 | 87 | 0 | 0 | 0 | 0 | 0 | 112.4 | K97 | K97-A99 WeakPolarHBondContact O-CB 3.33Š| |||
| 100 | A | 47.6 | Very low | 48.2 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 57.1 | 64.1 | 137.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 101 | Q | 52 | Low | 47.4 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -151.8 | 17.5 | 162 | -137.3 | 174.3 | 14.2 | 0 | 0 | 118.3 | ||||
| 102 | F | 45.2 | Very low | 46.8 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 82% | 0.82 | 75% | 0.751 | S | S | * | * | trans | -141.3 | 72 | 171.2 | -90.9 | -86.4 | 0 | 0 | 0 | 111.4 | ||||
| 103 | S | 41.7 | Very low | 46.4 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -88.9 | 131.7 | 160.1 | -45.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 104 | N | 43.9 | Very low | 46 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 93.7 | 135.9 | -169.8 | -51.3 | -39.2 | 0 | 0 | 0 | 112 | ||
| 105 | L | 43.9 | Very low | 45.6 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 36% | 0.361 | 75% | 0.751 | S | S | . | * | trans | 104.4 | 39 | 177 | -49.1 | -179.5 | 0 | 0 | 0 | 118 | L6 | L6-L105 HydrophobicContact CB-CD2 3.2Å; L6-L105 HydrophobicContact CD1-CB 3.84Å; L6-L105 HydrophobicContact CD1-CD2 3.36Å; L6-L105 HydrophobicContact CD1-CG 4.07Å; L6-L105 HydrophobicContact CD2-CD2 4Å; L6-L105 HydrophobicContact CG-CD2 3.65Å | ||
| 106 | Y | 47.2 | Very low | 45.2 | Very low | 246 Ų | 246 | 140 Ų | 140 | 97% | 0.965 | 75% | 0.752 | S | S | * | * | trans | -152.9 | 86.3 | 150.3 | -87 | -74.5 | 0 | 0 | 0 | 110.6 | ||||
| 107 | A | 36.2 | Very low | 44.7 | Very low | 85 Ų | 85 | 140 Ų | 140 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | trans | -132.6 | 88 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 108 | E | 45.2 | Very low | 44 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -162.5 | 118.3 | 163.4 | -118.5 | 171.8 | 167.8 | 0 | 0 | 111.9 | ||||
| 109 | E | 39.8 | Very low | 43.9 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | trans | 56.6 | 70.8 | 151.8 | -68.1 | -174.9 | 136.2 | 0 | 0 | 120.6 | ||||
| 110 | T | 40 | Very low | 43.9 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | -86.4 | 107.3 | 148.5 | 16.6 | 0 | 0 | 0 | 0 | 109.9 | L112 | T110-L112 PolarHBondContact O-N 2.81Š| ||
| 111 | C | 36.4 | Very low | 45 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 88% | 0.878 | 71% | 0.71 | S | S | * | * | trans | -65.2 | 95.6 | 167.1 | -147.8 | 0 | 0 | 0 | 0 | 108.2 | R113 | C111-R113 PolarHBondContact O-N 2.9Š| ||
| 112 | L | 40 | Very low | 45.9 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | trans | -55.7 | 106.8 | 178.8 | -101.1 | 104.4 | 0 | 0 | 0 | 110.3 | T110 H114 | T110-L112 PolarHBondContact O-N 2.81Å; L112-H114 PolarHBondContact O-N 3.08Å; L112-H114 PolarHBondContact O-ND1 3.37Å | ||
| 113 | R | 37.4 | Very low | 47.2 | Very low | 244 Ų | 244 | 130.8 Ų | 130.8 | 92% | 0.921 | 71% | 0.707 | S | S | * | * | trans | -61.5 | 99.1 | 160.5 | -72.2 | -175.9 | 174.8 | -159.1 | -0.6 | 108.4 | C111 | C111-R113 PolarHBondContact O-N 2.9Š| ||
| 114 | H | 43.2 | Very low | 48.1 | Very low | 154 Ų | 154 | 128.9 Ų | 128.9 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 120.7 | 164.7 | -70.7 | 77.6 | 0 | 0 | 0 | 108.1 | L112 | L112-H114 PolarHBondContact O-N 3.08Å; L112-H114 PolarHBondContact O-ND1 3.37Å |
| 115 | P | 46.9 | Very low | 48.6 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 71% | 0.714 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 154.3 | 167.7 | 27.6 | -31.7 | 0 | 0 | 0 | 110 | A117 | P115-A117 PolarHBondContact O-N 3.13Š|
| 116 | P | 47.7 | Very low | 48.3 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -57 | 131.5 | 179.5 | 23 | -32.3 | 0 | 0 | 0 | 110.7 | M118 | P116-M118 PolarHBondContact O-N 3.33Š|
| 117 | A | 45 | Very low | 48 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 75% | 0.752 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 122.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P115 | P115-A117 PolarHBondContact O-N 3.13Š|
| 118 | M | 44.6 | Very low | 48 | Very low | 120 Ų | 120 | 118.5 Ų | 118.5 | 59% | 0.591 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 129.6 | 169.3 | -71.5 | 176.3 | 175.8 | 0 | 0 | 109.4 | P116 Y120 | P116-M118 PolarHBondContact O-N 3.33Å; M118-Y120 HydrophobicContact CB-CE2 4.44Å |
| 119 | T | 51.4 | Low | 48.3 | Very low | 100 Ų | 100 | 116 Ų | 116 | 61% | 0.613 | 67% | 0.666 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 120.9 | 170.8 | -16.8 | 0 | 0 | 0 | 0 | 108.2 | ||
| 120 | Y | 47.6 | Very low | 48.5 | Very low | 161 Ų | 161 | 113.9 Ų | 113.9 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.2 | 174.1 | -75.7 | -92.5 | 0 | 0 | 0 | 109.1 | M118 C126 | M118-Y120 HydrophobicContact CB-CE2 4.44Å; Y120-C126 WeakPolarHBondContact CE1-SG 3.33Å |
| 121 | N | 70.1 | Confident | 48.3 | Very low | 65 Ų | 65 | 112.5 Ų | 112.5 | 35% | 0.348 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -76.7 | 154.7 | 169.4 | -67 | -27.7 | 0 | 0 | 0 | 109.6 | D123 G124 T125 T127 | N121-D123 WeakPolarHBondContact CB-OD1 3.39Å; N121-D123 PolarHBondContact O-N 3.09Å; N121-D123 VanDerWaalsContact O-N 3.09Å; N121-G124 PolarHBondContact O-N 2.82Å; N121-G124 VanDerWaalsContact O-N 3.1Å; N121-T125 PolarHBondContact N-O 3.37Å; N121-T125 PolarHBondContact ND2-OG1 2.87Å; N121-T127 PolarHBondContact ND2-OG1 3.23Å |
| 122 | S | 71.3 | Confident | 48.7 | Very low | 138 Ų | 138 | 113.1 Ų | 113.1 | 97% | 0.965 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -13.7 | 176.2 | 53.2 | 0 | 0 | 0 | 0 | 114 | ||
| 123 | D | 71.5 | Confident | 48.6 | Very low | 110 Ų | 110 | 111.2 Ų | 111.2 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 6.5 | 177.7 | 62.7 | 5.4 | 0 | 0 | 0 | 113.3 | N121 T125 | N121-D123 WeakPolarHBondContact CB-OD1 3.39Å; N121-D123 PolarHBondContact O-N 3.09Å; N121-D123 VanDerWaalsContact O-N 3.09Å; D123-T125 VanDerWaalsContact CG-OG1 3.3Å; D123-T125 PolarHBondContact O-N 3.12Å; D123-T125 WeakPolarHBondContact OD1-CB 3.33Å; D123-T125 PolarHBondContact OD1-N 3.33Å; D123-T125 PolarHBondContact OD1-OG1 2Å; D123-T125 PolarHBondContact OD2-OG1 2.89Å |
| 124 | G | 61 | Low | 48.8 | Very low | 64 Ų | 64 | 105.1 Ų | 105.1 | 66% | 0.66 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 75.8 | 8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N121 | N121-G124 PolarHBondContact O-N 2.82Å; N121-G124 VanDerWaalsContact O-N 3.1Å |
| 125 | T | 54.8 | Low | 48.4 | Very low | 67 Ų | 67 | 101.9 Ų | 101.9 | 41% | 0.411 | 64% | 0.639 | S | S | . | * | trans | -87 | 135.6 | 174.5 | 66.3 | 0 | 0 | 0 | 0 | 111.3 | N121 D123 | N121-T125 PolarHBondContact N-O 3.37Å; N121-T125 PolarHBondContact ND2-OG1 2.87Å; D123-T125 VanDerWaalsContact CG-OG1 3.3Å; D123-T125 PolarHBondContact O-N 3.12Å; D123-T125 WeakPolarHBondContact OD1-CB 3.33Å; D123-T125 PolarHBondContact OD1-N 3.33Å; D123-T125 PolarHBondContact OD1-OG1 2Å; D123-T125 PolarHBondContact OD2-OG1 2.89Å | ||
| 126 | C | 36.2 | Very low | 48 | Very low | 73 Ų | 73 | 101.1 Ų | 101.1 | 49% | 0.493 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.6 | 113.2 | 170.1 | -70.3 | 0 | 0 | 0 | 0 | 108.7 | Y120 | Y120-C126 WeakPolarHBondContact CE1-SG 3.33Å |
| 127 | T | 42.9 | Very low | 47.2 | Very low | 78 Ų | 78 | 100.3 Ų | 100.3 | 48% | 0.479 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 104.1 | 167.8 | -15.2 | 0 | 0 | 0 | 0 | 108.3 | N121 | N121-T127 PolarHBondContact ND2-OG1 3.23Å |
| 128 | C | 35.3 | Very low | 47 | Very low | 83 Ų | 83 | 99.9 Ų | 99.9 | 56% | 0.561 | 61% | 0.614 | S | S | * | * | trans | -68.2 | 136.5 | 165.8 | -69.2 | 0 | 0 | 0 | 0 | 108.5 | T130 | C128-T130 PolarHBondContact O-N 2.98Š| ||
| 129 | P | 51.3 | Low | 46.4 | Very low | 97 Ų | 97 | 100 Ų | 100 | 63% | 0.63 | 63% | 0.626 | S | S | * | * | trans | -60.3 | 110.1 | 166.8 | 23.8 | -29.6 | 0 | 0 | 0 | 107.8 | A131 | P129-A131 PolarHBondContact O-N 3.5Š| ||
| 130 | T | 43.1 | Very low | 46.2 | Very low | 141 Ų | 141 | 99.5 Ų | 99.5 | 87% | 0.865 | 62% | 0.624 | S | S | * | * | trans | -53 | 133.7 | 171.8 | 37.4 | 0 | 0 | 0 | 0 | 109.5 | C128 V132 | C128-T130 PolarHBondContact O-N 2.98Å; T130-V132 PolarHBondContact O-N 2.79Å | ||
| 131 | A | 36.5 | Very low | 45.8 | Very low | 97 Ų | 97 | 97.6 Ų | 97.6 | 80% | 0.802 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -75.7 | 107.7 | -152.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P129 | P129-A131 PolarHBondContact O-N 3.5Š|
| 132 | V | 45.7 | Very low | 44.3 | Very low | 144 Ų | 144 | 104.3 Ų | 104.3 | 87% | 0.873 | 66% | 0.657 | S | S | * | * | trans | -153.4 | 25.4 | 156.3 | -150.8 | 0 | 0 | 0 | 0 | 114.1 | T130 | T130-V132 PolarHBondContact O-N 2.79Š| ||
| 133 | S | 38.4 | Very low | 43.1 | Very low | 87 Ų | 87 | 103 Ų | 103 | 61% | 0.608 | 65% | 0.645 | S | S | * | * | trans | -142.3 | 94.3 | 178 | -167.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 134 | I | 41 | Very low | 41.8 | Very low | 116 Ų | 116 | 103.2 Ų | 103.2 | 60% | 0.595 | 65% | 0.653 | S | S | * | * | trans | -95.1 | 108.5 | 164.6 | -59.2 | 174.4 | 0 | 0 | 0 | 106.6 | L136 | I134-L136 HydrophobicContact CG2-CD1 3.96Å; I134-L136 HydrophobicContact CG2-CG 4.23Å; I134-L136 PolarHBondContact O-N 2.93Å | ||
| 135 | V | 33.6 | Very low | 41.2 | Very low | 86 Ų | 86 | 108.8 Ų | 108.8 | 52% | 0.521 | 67% | 0.666 | S | S | . | * | trans | -80.5 | 103.8 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | I24 | I24-V135 HydrophobicContact CD1-CG2 4.47Š| ||
| 136 | L | 38.4 | Very low | 41.1 | Very low | 95 Ų | 95 | 110.4 Ų | 110.4 | 50% | 0.497 | 68% | 0.679 | S | S | . | * | trans | -102.3 | 118.7 | 164.7 | -80.7 | 142.1 | 0 | 0 | 0 | 108 | P41 A77 I134 P138 | P41-L136 HydrophobicContact CG-CD1 3.69Å; A77-L136 HydrophobicContact CB-CD1 4.45Å; I134-L136 HydrophobicContact CG2-CD1 3.96Å; I134-L136 HydrophobicContact CG2-CG 4.23Å; I134-L136 PolarHBondContact O-N 2.93Å; L136-P138 WeakPolarHBondContact O-CD 3.06Å | ||
| 137 | C | 31.3 | Very low | 41.8 | Very low | 93 Ų | 93 | 116.8 Ų | 116.8 | 63% | 0.628 | 70% | 0.699 | S | S | * | * | trans | -89.1 | 109.7 | 176.7 | -63 | 0 | 0 | 0 | 0 | 110.7 | S22 | S22-C137 PolarHBondContact OG-SG 2.95Å; S22-C137 VanDerWaalsContact OG-SG 3.4Å | ||
| 138 | P | 41.6 | Very low | 42.5 | Very low | 82 Ų | 82 | 117.3 Ų | 117.3 | 53% | 0.532 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -83.1 | 127.5 | 163.8 | 30.8 | -31 | 0 | 0 | 0 | 110.4 | L136 P140 | L136-P138 WeakPolarHBondContact O-CD 3.06Å; P138-P140 WeakPolarHBondContact O-CD 3.43Å |
| 139 | C | 32.5 | Very low | 43.5 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 125 | 168.9 | -65.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 140 | P | 45.8 | Very low | 44.1 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 57% | 0.571 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 143.6 | 178.3 | 29.1 | -32.5 | 0 | 0 | 0 | 112.1 | P138 | P138-P140 WeakPolarHBondContact O-CD 3.43Š|
| 141 | P | 40.6 | Very low | 44.6 | Very low | 121 Ų | 121 | 117.7 Ų | 117.7 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 154.1 | 163.4 | 29.2 | -31.5 | 0 | 0 | 0 | 110.9 | ||
| 142 | K | 37.6 | Very low | 45.8 | Very low | 206 Ų | 206 | 117.3 Ų | 117.3 | 90% | 0.896 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 128.5 | -174.8 | -132.1 | 172.8 | -174.3 | 172 | 0 | 112.3 | ||
| 143 | P | 47 | Very low | 46.3 | Very low | 110 Ų | 110 | 117.3 Ų | 117.3 | 71% | 0.714 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 149.4 | -179.4 | 29.1 | -33.2 | 0 | 0 | 0 | 113 | ||
| 144 | P | 43.7 | Very low | 46.8 | Very low | 115 Ų | 115 | 116.4 Ų | 116.4 | 75% | 0.747 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 151 | 169.6 | 30 | -32.3 | 0 | 0 | 0 | 111.5 | S146 | P144-S146 PolarHBondContact O-N 2.87Š|
| 145 | I | 49 | Very low | 46.7 | Very low | 182 Ų | 182 | 117.5 Ų | 117.5 | 93% | 0.933 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -75.1 | 81 | -169.9 | -54.2 | 166.8 | 0 | 0 | 0 | 110.3 | ||
| 146 | S | 50.9 | Low | 47 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 68% | 0.681 | S | S | * | * | trans | -151.2 | 118.9 | 152.1 | 57.5 | 0 | 0 | 0 | 0 | 107.7 | P144 P148 | P144-S146 PolarHBondContact O-N 2.87Å; S146-P148 WeakPolarHBondContact O-CD 3.13Å | ||
| 147 | K | 52 | Low | 46.8 | Very low | 207 Ų | 207 | 125.3 Ų | 125.3 | 90% | 0.9 | 69% | 0.69 | S | S | * | * | trans | -78.2 | 113.6 | -171.9 | -68.7 | -179.9 | -178.7 | 176.5 | 0 | 109.2 | R149 | K147-R149 PolarHBondContact O-N 2.98Š| ||
| 148 | P | 56.4 | Low | 47.4 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 58% | 0.584 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 132.2 | 168 | 24.4 | -30.4 | 0 | 0 | 0 | 108.7 | S146 P150 | S146-P148 WeakPolarHBondContact O-CD 3.13Å; P148-P150 VanDerWaalsContact O-CD 3.3Å; P148-P150 WeakPolarHBondContact O-CD 3.49Å |
| 149 | R | 58.3 | Low | 47.4 | Very low | 214 Ų | 214 | 130.9 Ų | 130.9 | 81% | 0.808 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 117.5 | 173 | -69 | -174 | -173 | -131.9 | 3.2 | 107.4 | K147 | K147-R149 PolarHBondContact O-N 2.98Š|
| 150 | P | 62.1 | Low | 47.7 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 66% | 0.662 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 151.7 | 173 | 25.4 | -31.5 | 0 | 0 | 0 | 108.6 | P148 | P148-P150 VanDerWaalsContact O-CD 3.3Å; P148-P150 WeakPolarHBondContact O-CD 3.49Å |
| 151 | C | 55.4 | Low | 47.6 | Very low | 12 Ų | 12 | 135.7 Ų | 135.7 | 8% | 0.081 | 71% | 0.714 | C | S | . | * | P | Polyproline II helix | trans | -49.5 | 131.6 | 164.8 | -54.7 | 0 | 0 | 0 | 0 | 106.8 | Y153 Y221 C222 | C151-Y153 HydrophobicContact CB-CD2 3.87Å; C151-Y153 HydrophobicContact CB-CE2 3.68Å; C151-Y153 HydrophobicContact CB-CG 4.43Å; C151-Y153 WeakPolarHBondContact O-CD2 3.34Å; C151-Y153 PolarHBondContact O-N 2.93Å; C151-Y221 VanDerWaalsContact SG-C 3.57Å; C151-C222 WeakPolarHBondContact CA-SG 3.42Å; C151-C222 HydrophobicContact CB-CB 4.15Å; C151-C222 WeakPolarHBondContact CB-SG 3.1Å; C151-C222 VanDerWaalsContact SG-CA 3.6Å; C151-C222 WeakPolarHBondContact SG-CB 3.45Å; C151-C222 CovalentContact SG-SG 2.01Å; C151-C222 PolarHBondContact SG-SG 3.32Å |
| 152 | P | 60.7 | Low | 47.9 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 58% | 0.578 | 72% | 0.72 | S | S | * | * | trans | -66.1 | 78.5 | 163.2 | 29.7 | -32.1 | 0 | 0 | 0 | 106 | G154 L192 | P152-G154 VanDerWaalsContact C-N 3.31Å; P152-G154 PolarHBondContact O-N 3.07Å; P152-L192 HydrophobicContact CG-CD1 3.66Å | ||
| 153 | Y | 56.8 | Low | 47.8 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 57% | 0.569 | 71% | 0.711 | S | S | * | * | trans | -59 | 109.5 | 157 | -67.8 | -78.3 | 0 | 0 | 0 | 103.2 | C151 L155 S194 | C151-Y153 HydrophobicContact CB-CD2 3.87Å; C151-Y153 HydrophobicContact CB-CE2 3.68Å; C151-Y153 HydrophobicContact CB-CG 4.43Å; C151-Y153 WeakPolarHBondContact O-CD2 3.34Å; C151-Y153 PolarHBondContact O-N 2.93Å; Y153-L155 PolarHBondContact O-N 2.81Å; Y153-S194 WeakPolarHBondContact OH-CB 3.44Å; Y153-S194 PolarHBondContact OH-OG 3.24Å | ||
| 154 | G | 47.7 | Very low | 47.5 | Very low | 68 Ų | 68 | 138 Ų | 138 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | trans | -60.6 | 84.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | P152 Y156 | P152-G154 VanDerWaalsContact C-N 3.31Å; P152-G154 PolarHBondContact O-N 3.07Å; G154-Y156 PolarHBondContact O-N 3.4Å | ||
| 155 | L | 39.3 | Very low | 47.1 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | trans | -69.8 | 81.9 | 171.5 | -169 | 83.5 | 0 | 0 | 0 | 105.5 | Y153 L157 | Y153-L155 PolarHBondContact O-N 2.81Å; L155-L157 HydrophobicContact CD2-CD1 3.83Å; L155-L157 HydrophobicContact CD2-CG 4.13Å; L155-L157 HydrophobicContact CG-CG 4.44Å; L155-L157 PolarHBondContact O-N 3.45Å | ||
| 156 | Y | 40.5 | Very low | 46.6 | Very low | 214 Ų | 214 | 139 Ų | 139 | 84% | 0.839 | 71% | 0.707 | S | S | * | * | trans | -67.6 | 87.6 | 167.3 | -108.4 | -93.7 | 0 | 0 | 0 | 107.1 | G154 I158 | G154-Y156 PolarHBondContact O-N 3.4Å; Y156-I158 PolarHBondContact O-N 3.05Å | ||
| 157 | L | 33.9 | Very low | 45.9 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 69% | 0.686 | 70% | 0.704 | S | S | * | * | trans | -65 | 96.2 | 165 | -95.1 | 151 | 0 | 0 | 0 | 107.8 | L155 L159 | L155-L157 HydrophobicContact CD2-CD1 3.83Å; L155-L157 HydrophobicContact CD2-CG 4.13Å; L155-L157 HydrophobicContact CG-CG 4.44Å; L155-L157 PolarHBondContact O-N 3.45Å; L157-L159 PolarHBondContact O-N 3.03Å; L157-L159 VanDerWaalsContact O-N 3.09Å | ||
| 158 | I | 43.4 | Very low | 45 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 67% | 0.667 | 70% | 0.702 | S | S | * | * | trans | -71.8 | 96.7 | 163.2 | -59.8 | 177.1 | 0 | 0 | 0 | 106.5 | Y156 H160 | Y156-I158 PolarHBondContact O-N 3.05Å; I158-H160 PolarHBondContact O-N 3.39Å; I158-H160 VanDerWaalsContact O-N 3.15Å | ||
| 159 | L | 41.8 | Very low | 44.2 | Very low | 162 Ų | 162 | 140 Ų | 140 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | trans | -64.8 | 104.2 | 165.8 | -85.1 | 150.3 | 0 | 0 | 0 | 108.5 | L157 | L157-L159 PolarHBondContact O-N 3.03Å; L157-L159 VanDerWaalsContact O-N 3.09Å | ||
| 160 | H | 39 | Very low | 43.1 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | trans | -73.5 | 126.2 | 165.6 | -84.4 | -94.7 | 0 | 0 | 0 | 110 | I158 | I158-H160 PolarHBondContact O-N 3.39Å; I158-H160 VanDerWaalsContact O-N 3.15Å | ||
| 161 | N | 44.6 | Very low | 42 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -178.2 | 95.9 | 146.5 | -94.5 | -15.4 | 0 | 0 | 0 | 110.7 | ||||
| 162 | N | 45.5 | Very low | 41.3 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 91% | 0.914 | 76% | 0.759 | S | S | * | * | 177.8 | 136.7 | 120.4 | -99 | -41.3 | 0 | 0 | 0 | 113 | |||||
| 163 | L | 35.4 | Very low | 40.2 | Very low | 136 Ų | 136 | 140 Ų | 140 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | -87.2 | 130.1 | -175.5 | -175.3 | 81 | 0 | 0 | 0 | 109.7 | ||||
| 164 | H | 40.7 | Very low | 39.5 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -150.3 | 117.6 | 149.7 | -108.3 | -78.9 | 0 | 0 | 0 | 110.3 | ||||
| 165 | I | 36.9 | Very low | 38.7 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 64% | 0.641 | 79% | 0.785 | S | S | * | * | trans | -90.8 | 131.7 | 178.5 | -64.6 | 165.5 | 0 | 0 | 0 | 108.2 | ||||
| 166 | F | 37 | Very low | 38.8 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -151.1 | 147.3 | 143 | -80.3 | -70.4 | 0 | 0 | 0 | 109.9 | ||||
| 167 | P | 37 | Very low | 38.6 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 62% | 0.623 | 79% | 0.79 | S | S | * | * | trans | -114.5 | 166.1 | -151.8 | 42.9 | -32.7 | 0 | 0 | 0 | 115.8 | ||||
| 168 | F | 33.4 | Very low | 38.6 | Very low | 197 Ų | 197 | 134.9 Ų | 134.9 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | 62.2 | 117.3 | 161.3 | -71.2 | -76 | 0 | 0 | 0 | 120.9 | ||||
| 169 | S | 38.9 | Very low | 38.5 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | -162.1 | 130.1 | 126.3 | -74.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 170 | A | 35.1 | Very low | 38.5 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -65 | 135.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 171 | T | 39.7 | Very low | 38.6 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | -155.5 | 136.3 | 145.9 | -30.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 172 | S | 40.9 | Very low | 38.7 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -39.6 | 144 | 175.3 | 48.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 173 | G | 37.9 | Very low | 38.6 | Very low | 65 Ų | 65 | 126 Ų | 126 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | trans | 158.1 | 99 | 156.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 174 | T | 41.4 | Very low | 38.7 | Very low | 136 Ų | 136 | 123.6 Ų | 123.6 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | 35.1 | 112.4 | 144.1 | 52.6 | 0 | 0 | 0 | 0 | 119.6 | T176 | T174-T176 PolarHBondContact O-N 3.16Š| ||
| 175 | G | 31 | Very low | 38.5 | Very low | 87 Ų | 87 | 119.2 Ų | 119.2 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | -68.7 | 120 | 167 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 176 | T | 40.3 | Very low | 38.8 | Very low | 126 Ų | 126 | 116.4 Ų | 116.4 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -130.2 | 121.7 | 160.1 | 47.7 | 0 | 0 | 0 | 0 | 108 | T174 S178 | T174-T176 PolarHBondContact O-N 3.16Å; T176-S178 PolarHBondContact O-N 3.26Å | ||
| 177 | S | 37.8 | Very low | 38.8 | Very low | 126 Ų | 126 | 117.1 Ų | 117.1 | 88% | 0.881 | 82% | 0.822 | S | S | * | * | trans | -51 | 117.9 | 171.9 | 47.2 | 0 | 0 | 0 | 0 | 111 | Y179 | S177-Y179 PolarHBondContact O-N 3.42Š| ||
| 178 | S | 33.5 | Very low | 39.4 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -75.2 | 105.7 | -178.1 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | T176 | T176-S178 PolarHBondContact O-N 3.26Š| ||
| 179 | Y | 41.4 | Very low | 40.4 | Very low | 234 Ų | 234 | 111.2 Ų | 111.2 | 92% | 0.918 | 82% | 0.819 | S | S | * | * | trans | -86.4 | 131.3 | 145.9 | -120.3 | -98.5 | 0 | 0 | 0 | 107.1 | S177 S181 | S177-Y179 PolarHBondContact O-N 3.42Å; Y179-S181 PolarHBondContact O-N 2.81Å | ||
| 180 | G | 40.3 | Very low | 41.5 | Very low | 76 Ų | 76 | 109.7 Ų | 109.7 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -49.5 | 107 | -166 | 0 | 0 | 0 | 0 | 0 | 114.5 | G182 | G180-G182 VanDerWaalsContact C-N 3.29Å; G180-G182 PolarHBondContact O-N 3.43Å | ||
| 181 | S | 41.8 | Very low | 43.9 | Very low | 130 Ų | 130 | 111.3 Ų | 111.3 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -74.2 | 85.3 | 163.7 | -159.8 | 0 | 0 | 0 | 0 | 108 | Y179 | Y179-S181 PolarHBondContact O-N 2.81Š| ||
| 182 | G | 47.3 | Very low | 46.4 | Very low | 71 Ų | 71 | 107.6 Ų | 107.6 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | -80.6 | 116.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | G180 | G180-G182 VanDerWaalsContact C-N 3.29Å; G180-G182 PolarHBondContact O-N 3.43Å | ||
| 183 | G | 42.1 | Very low | 48.9 | Very low | 79 Ų | 79 | 102.5 Ų | 102.5 | 81% | 0.814 | 74% | 0.738 | S | S | * | * | trans | -48.4 | 146.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 184 | G | 37.9 | Very low | 51.6 | Low | 84 Ų | 84 | 99.9 Ų | 99.9 | 87% | 0.866 | 71% | 0.71 | S | S | * | * | 95.8 | 92.6 | 54.2 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 185 | G | 36.9 | Very low | 54 | Low | 88 Ų | 88 | 97.7 Ų | 97.7 | 91% | 0.907 | 69% | 0.686 | S | S | * | * | trans | 102.4 | 100.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 186 | G | 42.3 | Very low | 56.8 | Low | 66 Ų | 66 | 97 Ų | 97 | 68% | 0.68 | 66% | 0.66 | S | S | * | * | trans | 169.2 | 81.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G188 | G186-G188 PolarHBondContact O-N 2.92Š| ||
| 187 | H | 38.5 | Very low | 59.1 | Low | 208 Ų | 208 | 97.6 Ų | 97.6 | 96% | 0.963 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.1 | 122.6 | 169.7 | -97.7 | -92.1 | 0 | 0 | 0 | 111.8 | ||
| 188 | G | 49.4 | Very low | 61.6 | Low | 78 Ų | 78 | 95.5 Ų | 95.5 | 80% | 0.804 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.2 | 1.3 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | G186 S190 | G186-G188 PolarHBondContact O-N 2.92Å; G188-S190 PolarHBondContact O-N 3.4Å |
| 189 | S | 53.2 | Low | 64.4 | Low | 90 Ų | 90 | 92.6 Ų | 92.6 | 63% | 0.629 | 61% | 0.613 | S | S | * | * | trans | -82.8 | 117.5 | 168.5 | 56.1 | 0 | 0 | 0 | 0 | 109.5 | Q191 | S189-Q191 VanDerWaalsContact C-N 3.32Å; S189-Q191 PolarHBondContact O-N 2.8Å | ||
| 190 | S | 63.8 | Low | 67.1 | Low | 92 Ų | 92 | 83.2 Ų | 83.2 | 64% | 0.643 | 58% | 0.579 | S | S | * | * | trans | -52.8 | 97.5 | 170.2 | -53.9 | 0 | 0 | 0 | 0 | 108.7 | G188 L192 | G188-S190 PolarHBondContact O-N 3.4Å; S190-L192 PolarHBondContact O-N 3.11Å | ||
| 191 | Q | 84.6 | Confident | 69.7 | Low | 133 Ų | 133 | 81.6 Ų | 81.6 | 62% | 0.621 | 55% | 0.554 | S | S | * | * | trans | -64.7 | 108.6 | -176.6 | -74.7 | -176.4 | -6.3 | 0 | 0 | 107.2 | S189 | S189-Q191 VanDerWaalsContact C-N 3.32Å; S189-Q191 PolarHBondContact O-N 2.8Å | ||
| 192 | L | 91.3 | Very high | 72.3 | Confident | 60 Ų | 60 | 77.8 Ų | 77.8 | 31% | 0.314 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 138.9 | 172.7 | -73.2 | 163.4 | 0 | 0 | 0 | 108.3 | P152 S190 Y219 C222 G223 | P152-L192 HydrophobicContact CG-CD1 3.66Å; S190-L192 PolarHBondContact O-N 3.11Å; L192-Y219 HydrophobicContact CD2-CD2 4.41Å; L192-C222 HydrophobicContact CD2-CB 4.13Å; L192-G223 CarbonylContact C-O 3.54Å; L192-G223 VanDerWaalsContact CA-O 3.3Å; L192-G223 WeakPolarHBondContact CA-O 3.06Å |
| 193 | C | 94.6 | Very high | 74.7 | Confident | 8 Ų | 8 | 74.9 Ų | 74.9 | 5% | 0.054 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 158.2 | 179.5 | 56.4 | 0 | 0 | 0 | 0 | 110 | C213 C222 G223 W225 | C193-C213 HydrophobicContact CB-CB 3.8Å; C193-C213 WeakPolarHBondContact CB-SG 3.49Å; C193-C213 WeakPolarHBondContact SG-CA 2.87Å; C193-C213 WeakPolarHBondContact SG-CB 3.02Å; C193-C213 CovalentContact SG-SG 2Å; C193-C213 PolarHBondContact SG-SG 3.47Å; C193-C222 CarbonylContact O-C 3.58Å; C193-C222 WeakPolarHBondContact O-CA 3.38Å; C193-G223 PolarHBondContact N-O 3.31Å; C193-G223 PolarHBondContact O-N 3.02Å; C193-G223 PolarHBondContact SG-O 3.34Å; C193-G223 VanDerWaalsContact SG-O 3.33Å; C193-W225 HydrophobicContact CB-CD2 3.58Å; C193-W225 HydrophobicContact CB-CE3 4.16Å; C193-W225 HydrophobicContact CB-CG 3.99Å; C193-W225 HydrophobicContact CB-CH2 4.02Å; C193-W225 HydrophobicContact CB-CZ2 3.44Å; C193-W225 VanDerWaalsContact CB-CZ2 3.44Å; C193-W225 HydrophobicContact CB-CZ3 4.36Å |
| 194 | S | 94.7 | Very high | 77.2 | Confident | 11 Ų | 11 | 76.4 Ų | 76.4 | 8% | 0.077 | 49% | 0.493 | C | S | . | . | trans | -95.5 | 97.2 | 173.8 | -175.6 | 0 | 0 | 0 | 0 | 109 | Y153 M196 M197 D198 | Y153-S194 WeakPolarHBondContact OH-CB 3.44Å; Y153-S194 PolarHBondContact OH-OG 3.24Å; S194-M196 PolarHBondContact O-N 2.01Å; S194-M197 PolarHBondContact O-N 3.26Å; S194-D198 PolarHBondContact O-N 2.98Å | ||
| 195 | W | 91.8 | Very high | 79.9 | Confident | 89 Ų | 89 | 79.6 Ų | 79.6 | 34% | 0.337 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -19.8 | -171.7 | 70.2 | -96.5 | 0 | 0 | 0 | 113.8 | C213 P215 K220 | W195-C213 WeakPolarHBondContact CA-SG 3.19Å; W195-C213 HydrophobicContact CB-CB 4.13Å; W195-C213 WeakPolarHBondContact CB-SG 3.09Å; W195-C213 PolarHBondContact N-SG 2.88Å; W195-P215 HydrophobicContact CB-CG 4.02Å; W195-P215 HydrophobicContact CD2-CB 4.31Å; W195-P215 HydrophobicContact CD2-CG 3.8Å; W195-P215 HydrophobicContact CE3-CG 4.16Å; W195-P215 HydrophobicContact CG-CB 4.04Å; W195-P215 HydrophobicContact CG-CG 3.73Å; W195-K220 PolarHBondContact NE1-O 3.19Å |
| 196 | M | 88.4 | Confident | 82.7 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -27.4 | -179.8 | -166.2 | 174.6 | -56.9 | 0 | 0 | 113.3 | Y23 S194 Y221 | Y23-M196 HydrophobicContact CE2-SD 4.24Å; S194-M196 PolarHBondContact O-N 2.01Å; M196-Y221 HydrophobicContact CE-CD1 4.03Å; M196-Y221 HydrophobicContact CE-CE1 4.29Å |
| 197 | M | 89.7 | Confident | 85.2 | Confident | 139 Ų | 139 | 78.2 Ų | 78.2 | 69% | 0.685 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -42.5 | -179.7 | -63 | -60.3 | -63.4 | 0 | 0 | 111.2 | S194 P199 | S194-M197 PolarHBondContact O-N 3.26Å; M197-P199 WeakPolarHBondContact O-CD 3.25Å |
| 198 | D | 90.3 | Very high | 88 | Confident | 83 Ų | 83 | 75.2 Ų | 75.2 | 44% | 0.444 | 43% | 0.432 | S | S | . | . | trans | -129.2 | 73.2 | -173.5 | -57.8 | -58.1 | 0 | 0 | 0 | 109.4 | S194 L200 V201 C213 W225 | S194-D198 PolarHBondContact O-N 2.98Å; D198-L200 VanDerWaalsContact C-N 3.27Å; D198-L200 PolarHBondContact O-N 3.45Å; D198-V201 HydrophobicContact CB-CG1 4.19Å; D198-C213 WeakPolarHBondContact O-CB 3.46Å; D198-W225 HydrophobicContact CB-CH2 3.97Å; D198-W225 HydrophobicContact CB-CZ2 4.42Å; D198-W225 WeakPolarHBondContact O-CH2 3.48Å | ||
| 199 | P | 93.1 | Very high | 90.2 | Very high | 53 Ų | 53 | 72 Ų | 72 | 34% | 0.344 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -66.6 | -31.9 | -178.3 | 26.1 | -33.9 | 0 | 0 | 0 | 112.2 | M197 Q212 C213 | M197-P199 WeakPolarHBondContact O-CD 3.25Å; P199-Q212 WeakPolarHBondContact O-CA 3.02Å; P199-C213 PolarHBondContact O-N 3.28Å |
| 200 | L | 96.8 | Very high | 92.4 | Very high | 38 Ų | 38 | 70 Ų | 70 | 20% | 0.199 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 133 | -177.4 | -60.3 | 173.3 | 0 | 0 | 0 | 110.1 | D198 Y210 L211 Q212 F236 Q241 | D198-L200 VanDerWaalsContact C-N 3.27Å; D198-L200 PolarHBondContact O-N 3.45Å; L200-Y210 HydrophobicContact CD2-CD2 3.62Å; L200-Y210 HydrophobicContact CD2-CE2 3.5Å; L200-Y210 VanDerWaalsContact CD2-CE2 3.5Å; L200-L211 WeakPolarHBondContact CA-O 3.24Å; L200-Q212 HydrophobicContact CD2-CB 3.91Å; L200-Q212 HydrophobicContact CD2-CG 3.87Å; L200-F236 HydrophobicContact CB-CE2 4.45Å; L200-F236 HydrophobicContact CB-CZ 3.9Å; L200-Q241 HydrophobicContact CD1-CB 4.14Å; L200-Q241 WeakPolarHBondContact CD1-O 3.31Å |
| 201 | V | 95.7 | Very high | 94 | Very high | 42 Ų | 42 | 67 Ų | 67 | 26% | 0.255 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 156.4 | 173 | -62 | 0 | 0 | 0 | 0 | 111 | D198 L211 W225 | D198-V201 HydrophobicContact CB-CG1 4.19Å; V201-L211 HydrophobicContact CG2-CB 3.68Å; V201-L211 HydrophobicContact CG2-CD1 4.11Å; V201-L211 HydrophobicContact CG2-CG 4.32Å; V201-L211 PolarHBondContact N-O 3.12Å; V201-L211 PolarHBondContact O-N 2.82Å; V201-W225 HydrophobicContact CB-CH2 4.17Å; V201-W225 HydrophobicContact CB-CZ3 4.48Å; V201-W225 HydrophobicContact CG1-CH2 3.61Å; V201-W225 HydrophobicContact CG1-CZ2 4.18Å; V201-W225 HydrophobicContact CG1-CZ3 4.31Å; V201-W225 HydrophobicContact CG2-CD2 4.48Å; V201-W225 HydrophobicContact CG2-CE3 4.11Å; V201-W225 HydrophobicContact CG2-CH2 3.51Å; V201-W225 HydrophobicContact CG2-CZ2 3.89Å; V201-W225 HydrophobicContact CG2-CZ3 3.61Å |
| 202 | A | 96.1 | Very high | 94.6 | Very high | 49 Ų | 49 | 63.7 Ų | 63.7 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 140.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F236 V238 | A202-F236 HydrophobicContact CB-CD1 4.38Å; A202-V238 HydrophobicContact CB-CG2 3.57Å |
| 203 | D | 96.7 | Very high | 94.8 | Very high | 11 Ų | 11 | 61.2 Ų | 61.2 | 6% | 0.059 | 33% | 0.325 | C | S | . | . | trans | -82.3 | 120.9 | 174.4 | 179.1 | 3.3 | 0 | 0 | 0 | 110.4 | H205 G206 S209 L211 R227 | D203-H205 PolarHBondContact O-N 2.81Å; D203-H205 VanDerWaalsContact O-N 3.13Å; D203-H205 WeakPolarHBondContact OD1-CB 3.37Å; D203-H205 IonicContact OD1-CD2 2.66Å; D203-H205 IonicContact OD1-CG 3.42Å; D203-H205 PolarHBondContact OD1-N 2.89Å; D203-G206 PolarHBondContact O-N 3.45Å; D203-S209 VanDerWaalsContact CB-O 3.29Å; D203-S209 WeakPolarHBondContact CB-O 3.49Å; D203-S209 VanDerWaalsContact OD2-CB 3.29Å; D203-S209 WeakPolarHBondContact OD2-CB 3.4Å; D203-S209 PolarHBondContact OD2-OG 2.78Å; D203-L211 HydrophobicContact CB-CD2 4.5Å; D203-L211 HydrophobicContact CB-CG 4.31Å; D203-R227 WeakPolarHBondContact OD2-CD 3.27Å; D203-R227 IonicContact OD2-CZ 2.61Å; D203-R227 IonicContact OD2-NE 3.89Å; D203-R227 PolarHBondContact OD2-NE 2.01Å; D203-R227 IonicContact OD2-NH2 3.62Å; D203-R227 PolarHBondContact OD2-NH2 2.92Å | ||
| 204 | P | 95.2 | Very high | 94.9 | Very high | 110 Ų | 110 | 63.5 Ų | 63.5 | 71% | 0.714 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18.3 | 178.9 | 27.5 | -35.7 | 0 | 0 | 0 | 113 | ||
| 205 | H | 95 | Very high | 94.9 | Very high | 152 Ų | 152 | 66.4 Ų | 66.4 | 70% | 0.704 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -0.3 | -179.5 | -62.8 | -71.3 | 0 | 0 | 0 | 114.3 | D203 | D203-H205 PolarHBondContact O-N 2.81Å; D203-H205 VanDerWaalsContact O-N 3.13Å; D203-H205 WeakPolarHBondContact OD1-CB 3.37Å; D203-H205 IonicContact OD1-CD2 2.66Å; D203-H205 IonicContact OD1-CG 3.42Å; D203-H205 PolarHBondContact OD1-N 2.89Å |
| 206 | G | 94.7 | Very high | 95 | Very high | 29 Ų | 29 | 63.5 Ų | 63.5 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | trans | 166 | 150.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | D203 R208 | D203-G206 PolarHBondContact O-N 3.45Å; G206-R208 VanDerWaalsContact C-N 3.3Å; G206-R208 PolarHBondContact O-N 3.15Å | ||
| 207 | T | 95.5 | Very high | 95.1 | Very high | 96 Ų | 96 | 66.7 Ų | 66.7 | 59% | 0.589 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -15.7 | -179.9 | 55.9 | 0 | 0 | 0 | 0 | 114 | S209 V235 F236 | T207-S209 VanDerWaalsContact C-N 3.28Å; T207-V235 CarbonylContact O-C 3.38Å; T207-V235 VanDerWaalsContact O-CA 3.31Å; T207-V235 WeakPolarHBondContact O-CA 3.45Å; T207-F236 PolarHBondContact O-N 2.88Å |
| 208 | R | 96.5 | Very high | 95.3 | Very high | 145 Ų | 145 | 63.6 Ų | 63.6 | 55% | 0.547 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 13.5 | 179 | -63.2 | -173.9 | 175.3 | -171.8 | -3.1 | 113.3 | G206 C230 V235 | G206-R208 VanDerWaalsContact C-N 3.3Å; G206-R208 PolarHBondContact O-N 3.15Å; R208-C230 WeakPolarHBondContact O-CB 3.4Å; R208-C230 PolarHBondContact O-N 3.09Å; R208-V235 HydrophobicContact CG-CG1 4.48Å |
| 209 | S | 97.5 | Very high | 95.3 | Very high | 9 Ų | 9 | 63.4 Ų | 63.4 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 160.8 | 175.5 | 42.3 | 0 | 0 | 0 | 0 | 109.8 | D203 T207 R227 R228 | D203-S209 VanDerWaalsContact CB-O 3.29Å; D203-S209 WeakPolarHBondContact CB-O 3.49Å; D203-S209 VanDerWaalsContact OD2-CB 3.29Å; D203-S209 WeakPolarHBondContact OD2-CB 3.4Å; D203-S209 PolarHBondContact OD2-OG 2.78Å; T207-S209 VanDerWaalsContact C-N 3.28Å; S209-R227 PolarHBondContact OG-NE 3.5Å; S209-R227 PolarHBondContact OG-NH2 2.83Å; S209-R228 CarbonylContact C-O 3.43Å; S209-R228 WeakPolarHBondContact CA-O 3.48Å; S209-R228 VanDerWaalsContact CB-O 3.26Å; S209-R228 WeakPolarHBondContact CB-O 3.12Å |
| 210 | Y | 97.7 | Very high | 95 | Very high | 49 Ų | 49 | 68 Ų | 68 | 19% | 0.192 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 159.7 | 176.2 | 62.4 | -85.6 | 0 | 0 | 0 | 109.4 | L200 Q212 R227 R228 F236 | L200-Y210 HydrophobicContact CD2-CD2 3.62Å; L200-Y210 HydrophobicContact CD2-CE2 3.5Å; L200-Y210 VanDerWaalsContact CD2-CE2 3.5Å; Y210-Q212 HydrophobicContact CD2-CB 4.43Å; Y210-Q212 HydrophobicContact CE2-CB 4.13Å; Y210-R227 WeakPolarHBondContact O-CA 2.91Å; Y210-R228 HydrophobicContact CD1-CB 4.08Å; Y210-R228 HydrophobicContact CD2-CB 4.05Å; Y210-R228 HydrophobicContact CD2-CG 4.48Å; Y210-R228 HydrophobicContact CE1-CB 3.6Å; Y210-R228 HydrophobicContact CE2-CB 3.58Å; Y210-R228 HydrophobicContact CE2-CG 3.83Å; Y210-R228 HydrophobicContact CG-CB 4.29Å; Y210-R228 PolarHBondContact N-O 3.06Å; Y210-R228 PolarHBondContact O-N 3.29Å; Y210-F236 AromaticContact CD1-CD2 3.88Å; Y210-F236 HydrophobicContact CD1-CD2 3.88Å; Y210-F236 HydrophobicContact CD1-CE2 4.4Å; Y210-F236 HydrophobicContact CD1-CG 4.47Å; Y210-F236 HydrophobicContact CD2-CE2 4.3Å; Y210-F236 AromaticContact CG-CD2 3.74Å; Y210-F236 HydrophobicContact CG-CD2 3.74Å; Y210-F236 AromaticContact CG-CE2 3.94Å; Y210-F236 HydrophobicContact CG-CE2 3.94Å; Y210-F236 HydrophobicContact CG-CG 4.24Å |
| 211 | L | 97.3 | Very high | 94.6 | Very high | 28 Ų | 28 | 70.6 Ų | 70.6 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.6 | 172.2 | -54.8 | 176.5 | 0 | 0 | 0 | 108.4 | L200 V201 D203 W225 R227 | L200-L211 WeakPolarHBondContact CA-O 3.24Å; V201-L211 HydrophobicContact CG2-CB 3.68Å; V201-L211 HydrophobicContact CG2-CD1 4.11Å; V201-L211 HydrophobicContact CG2-CG 4.32Å; V201-L211 PolarHBondContact N-O 3.12Å; V201-L211 PolarHBondContact O-N 2.82Å; D203-L211 HydrophobicContact CB-CD2 4.5Å; D203-L211 HydrophobicContact CB-CG 4.31Å; L211-W225 HydrophobicContact CB-CD2 4.13Å; L211-W225 HydrophobicContact CB-CE3 3.6Å; L211-W225 HydrophobicContact CB-CZ3 4.19Å; L211-R227 HydrophobicContact CD2-CB 3.91Å; L211-R227 HydrophobicContact CD2-CG 4.17Å |
| 212 | Q | 97 | Very high | 94.5 | Very high | 65 Ų | 65 | 68.7 Ų | 68.7 | 30% | 0.304 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.9 | 174.4 | -177.9 | 179.1 | 29.1 | 0 | 0 | 109.2 | P199 L200 Y210 V214 K226 R228 | P199-Q212 WeakPolarHBondContact O-CA 3.02Å; L200-Q212 HydrophobicContact CD2-CB 3.91Å; L200-Q212 HydrophobicContact CD2-CG 3.87Å; Y210-Q212 HydrophobicContact CD2-CB 4.43Å; Y210-Q212 HydrophobicContact CE2-CB 4.13Å; Q212-V214 PolarHBondContact O-N 3.4Å; Q212-K226 PolarHBondContact N-O 2.94Å; Q212-K226 PolarHBondContact O-N 3.19Å; Q212-R228 HydrophobicContact CB-CG 4.02Å; Q212-R228 VanDerWaalsContact OE1-NE 3.14Å |
| 213 | C | 97 | Very high | 94.5 | Very high | 8 Ų | 8 | 66.3 Ų | 66.3 | 5% | 0.054 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 108.9 | 175 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | C193 W195 D198 P199 W225 | C193-C213 HydrophobicContact CB-CB 3.8Å; C193-C213 WeakPolarHBondContact CB-SG 3.49Å; C193-C213 WeakPolarHBondContact SG-CA 2.87Å; C193-C213 WeakPolarHBondContact SG-CB 3.02Å; C193-C213 CovalentContact SG-SG 2Å; C193-C213 PolarHBondContact SG-SG 3.47Å; W195-C213 WeakPolarHBondContact CA-SG 3.19Å; W195-C213 HydrophobicContact CB-CB 4.13Å; W195-C213 WeakPolarHBondContact CB-SG 3.09Å; W195-C213 PolarHBondContact N-SG 2.88Å; D198-C213 WeakPolarHBondContact O-CB 3.46Å; P199-C213 PolarHBondContact O-N 3.28Å; C213-W225 HydrophobicContact CB-CE3 3.91Å; C213-W225 HydrophobicContact CB-CH2 4.05Å; C213-W225 HydrophobicContact CB-CZ3 3.59Å |
| 214 | V | 95.8 | Very high | 94.4 | Very high | 56 Ų | 56 | 68.9 Ų | 68.9 | 34% | 0.339 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 119.8 | 179.3 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | Q212 D216 G223 H224 K226 | Q212-V214 PolarHBondContact O-N 3.4Å; V214-D216 PolarHBondContact O-N 3.25Å; V214-G223 CarbonylContact O-C 3.4Å; V214-G223 WeakPolarHBondContact O-CA 3.33Å; V214-H224 PolarHBondContact N-O 3.07Å; V214-H224 PolarHBondContact O-N 3.03Å; V214-K226 HydrophobicContact CG2-CB 3.79Å; V214-K226 HydrophobicContact CG2-CD 4.13Å |
| 215 | P | 95 | Very high | 94.5 | Very high | 71 Ų | 71 | 66.7 Ų | 66.7 | 46% | 0.461 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 135.4 | -179.2 | -24.2 | 31.4 | 0 | 0 | 0 | 112.4 | W195 | W195-P215 HydrophobicContact CB-CG 4.02Å; W195-P215 HydrophobicContact CD2-CB 4.31Å; W195-P215 HydrophobicContact CD2-CG 3.8Å; W195-P215 HydrophobicContact CE3-CG 4.16Å; W195-P215 HydrophobicContact CG-CB 4.04Å; W195-P215 HydrophobicContact CG-CG 3.73Å |
| 216 | D | 93.1 | Very high | 94.5 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -94 | 123.5 | 174.2 | -173.9 | -24.3 | 0 | 0 | 0 | 108.9 | V214 A218 Y219 C222 H224 | V214-D216 PolarHBondContact O-N 3.25Å; D216-A218 PolarHBondContact O-N 3.35Å; D216-A218 VanDerWaalsContact O-N 3.14Å; D216-A218 VanDerWaalsContact OD1-CB 3.31Å; D216-A218 WeakPolarHBondContact OD1-CB 3.36Å; D216-A218 PolarHBondContact OD1-N 3.38Å; D216-Y219 HydrophobicContact CB-CD2 4.11Å; D216-Y219 CarbonylContact O-C 3.56Å; D216-Y219 PolarHBondContact O-N 3Å; D216-Y219 WeakPolarHBondContact OD2-CD2 3.29Å; D216-C222 PolarHBondContact N-O 2.96Å; D216-H224 IonicContact OD2-CD2 3Å; D216-H224 PolarHBondContact OD2-CD2 3.41Å; D216-H224 IonicContact OD2-CE1 3.73Å; D216-H224 IonicContact OD2-NE2 3.06Å; D216-H224 PolarHBondContact OD2-NE2 3.46Å |
| 217 | P | 92.5 | Very high | 94.6 | Very high | 138 Ų | 138 | 69.5 Ų | 69.5 | 90% | 0.896 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.9 | 177.2 | 25.5 | -35.7 | 0 | 0 | 0 | 113.7 | Y219 | P217-Y219 VanDerWaalsContact C-N 3.3Š|
| 218 | A | 92.3 | Very high | 94.7 | Very high | 74 Ų | 74 | 69 Ų | 69 | 61% | 0.612 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -20.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | D216 | D216-A218 PolarHBondContact O-N 3.35Å; D216-A218 VanDerWaalsContact O-N 3.14Å; D216-A218 VanDerWaalsContact OD1-CB 3.31Å; D216-A218 WeakPolarHBondContact OD1-CB 3.36Å; D216-A218 PolarHBondContact OD1-N 3.38Å |
| 219 | Y | 90.6 | Very high | 94.7 | Very high | 80 Ų | 80 | 67 Ų | 67 | 31% | 0.314 | 34% | 0.336 | S | S | . | . | trans | -133.3 | 109.8 | -174.4 | -56.2 | -81.4 | 0 | 0 | 0 | 112.2 | L192 D216 P217 Y221 C222 | L192-Y219 HydrophobicContact CD2-CD2 4.41Å; D216-Y219 HydrophobicContact CB-CD2 4.11Å; D216-Y219 CarbonylContact O-C 3.56Å; D216-Y219 PolarHBondContact O-N 3Å; D216-Y219 WeakPolarHBondContact OD2-CD2 3.29Å; P217-Y219 VanDerWaalsContact C-N 3.3Å; Y219-Y221 PolarHBondContact O-N 2.8Å; Y219-C222 WeakPolarHBondContact CB-SG 3.33Å; Y219-C222 HydrophobicContact CG-CB 4.31Å; Y219-C222 PolarHBondContact O-N 3.19Å; Y219-C222 VanDerWaalsContact O-N 3.13Å | ||
| 220 | K | 87.4 | Confident | 94.7 | Very high | 148 Ų | 148 | 67.4 Ų | 67.4 | 64% | 0.643 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -31.2 | -173.8 | -170.1 | 174.5 | 179.9 | -175.7 | 0 | 115.5 | W195 | W195-K220 PolarHBondContact NE1-O 3.19Š|
| 221 | Y | 88.9 | Confident | 94.5 | Very high | 94 Ų | 94 | 67 Ų | 67 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | 3 | -175.5 | -54.7 | -68.6 | 0 | 0 | 0 | 113.5 | C151 M196 Y219 | C151-Y221 VanDerWaalsContact SG-C 3.57Å; M196-Y221 HydrophobicContact CE-CD1 4.03Å; M196-Y221 HydrophobicContact CE-CE1 4.29Å; Y219-Y221 PolarHBondContact O-N 2.8Å |
| 222 | C | 93.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.007 | 37% | 0.373 | C | S | . | . | trans | -114.8 | 156.7 | -177.9 | -25.2 | 0 | 0 | 0 | 0 | 109.9 | C151 L192 C193 D216 Y219 | C151-C222 WeakPolarHBondContact CA-SG 3.42Å; C151-C222 HydrophobicContact CB-CB 4.15Å; C151-C222 WeakPolarHBondContact CB-SG 3.1Å; C151-C222 VanDerWaalsContact SG-CA 3.6Å; C151-C222 WeakPolarHBondContact SG-CB 3.45Å; C151-C222 CovalentContact SG-SG 2.01Å; C151-C222 PolarHBondContact SG-SG 3.32Å; L192-C222 HydrophobicContact CD2-CB 4.13Å; C193-C222 CarbonylContact O-C 3.58Å; C193-C222 WeakPolarHBondContact O-CA 3.38Å; D216-C222 PolarHBondContact N-O 2.96Å; Y219-C222 WeakPolarHBondContact CB-SG 3.33Å; Y219-C222 HydrophobicContact CG-CB 4.31Å; Y219-C222 PolarHBondContact O-N 3.19Å; Y219-C222 VanDerWaalsContact O-N 3.13Å | ||
| 223 | G | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | -174.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | L192 C193 V214 | L192-G223 CarbonylContact C-O 3.54Å; L192-G223 VanDerWaalsContact CA-O 3.3Å; L192-G223 WeakPolarHBondContact CA-O 3.06Å; C193-G223 PolarHBondContact N-O 3.31Å; C193-G223 PolarHBondContact O-N 3.02Å; C193-G223 PolarHBondContact SG-O 3.34Å; C193-G223 VanDerWaalsContact SG-O 3.33Å; V214-G223 CarbonylContact O-C 3.4Å; V214-G223 WeakPolarHBondContact O-CA 3.33Å |
| 224 | H | 95.6 | Very high | 93.9 | Very high | 64 Ų | 64 | 73 Ų | 73 | 30% | 0.296 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137.5 | 170.8 | -65.5 | -78.1 | 0 | 0 | 0 | 109.8 | V214 D216 K226 | V214-H224 PolarHBondContact N-O 3.07Å; V214-H224 PolarHBondContact O-N 3.03Å; D216-H224 IonicContact OD2-CD2 3Å; D216-H224 PolarHBondContact OD2-CD2 3.41Å; D216-H224 IonicContact OD2-CE1 3.73Å; D216-H224 IonicContact OD2-NE2 3.06Å; D216-H224 PolarHBondContact OD2-NE2 3.46Å; H224-K226 PolarHBondContact O-N 3.38Å |
| 225 | W | 95.9 | Very high | 93.8 | Very high | 64 Ų | 64 | 71.4 Ų | 71.4 | 24% | 0.242 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 125.1 | 171.2 | -72.8 | 122.7 | 0 | 0 | 0 | 110.5 | C193 D198 V201 L211 C213 | C193-W225 HydrophobicContact CB-CD2 3.58Å; C193-W225 HydrophobicContact CB-CE3 4.16Å; C193-W225 HydrophobicContact CB-CG 3.99Å; C193-W225 HydrophobicContact CB-CH2 4.02Å; C193-W225 HydrophobicContact CB-CZ2 3.44Å; C193-W225 VanDerWaalsContact CB-CZ2 3.44Å; C193-W225 HydrophobicContact CB-CZ3 4.36Å; D198-W225 HydrophobicContact CB-CH2 3.97Å; D198-W225 HydrophobicContact CB-CZ2 4.42Å; D198-W225 WeakPolarHBondContact O-CH2 3.48Å; V201-W225 HydrophobicContact CB-CH2 4.17Å; V201-W225 HydrophobicContact CB-CZ3 4.48Å; V201-W225 HydrophobicContact CG1-CH2 3.61Å; V201-W225 HydrophobicContact CG1-CZ2 4.18Å; V201-W225 HydrophobicContact CG1-CZ3 4.31Å; V201-W225 HydrophobicContact CG2-CD2 4.48Å; V201-W225 HydrophobicContact CG2-CE3 4.11Å; V201-W225 HydrophobicContact CG2-CH2 3.51Å; V201-W225 HydrophobicContact CG2-CZ2 3.89Å; V201-W225 HydrophobicContact CG2-CZ3 3.61Å; L211-W225 HydrophobicContact CB-CD2 4.13Å; L211-W225 HydrophobicContact CB-CE3 3.6Å; L211-W225 HydrophobicContact CB-CZ3 4.19Å; C213-W225 HydrophobicContact CB-CE3 3.91Å; C213-W225 HydrophobicContact CB-CH2 4.05Å; C213-W225 HydrophobicContact CB-CZ3 3.59Å |
| 226 | K | 96 | Very high | 93.9 | Very high | 107 Ų | 107 | 69 Ų | 69 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 119.4 | 172.8 | -171.1 | 166.3 | -175.9 | 167.5 | 0 | 109.7 | Q212 V214 H224 R228 | Q212-K226 PolarHBondContact N-O 2.94Å; Q212-K226 PolarHBondContact O-N 3.19Å; V214-K226 HydrophobicContact CG2-CB 3.79Å; V214-K226 HydrophobicContact CG2-CD 4.13Å; H224-K226 PolarHBondContact O-N 3.38Å; K226-R228 PolarHBondContact O-N 2.66Å |
| 227 | R | 96.6 | Very high | 94 | Very high | 133 Ų | 133 | 69.1 Ų | 69.1 | 50% | 0.502 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 130.2 | 174.4 | -167.4 | 179.2 | -173.8 | 175 | 9.4 | 110.3 | D203 S209 Y210 L211 | D203-R227 WeakPolarHBondContact OD2-CD 3.27Å; D203-R227 IonicContact OD2-CZ 2.61Å; D203-R227 IonicContact OD2-NE 3.89Å; D203-R227 PolarHBondContact OD2-NE 2.01Å; D203-R227 IonicContact OD2-NH2 3.62Å; D203-R227 PolarHBondContact OD2-NH2 2.92Å; S209-R227 PolarHBondContact OG-NE 3.5Å; S209-R227 PolarHBondContact OG-NH2 2.83Å; Y210-R227 WeakPolarHBondContact O-CA 2.91Å; L211-R227 HydrophobicContact CD2-CB 3.91Å; L211-R227 HydrophobicContact CD2-CG 4.17Å |
| 228 | R | 97.2 | Very high | 94 | Very high | 85 Ų | 85 | 66.7 Ų | 66.7 | 32% | 0.321 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129.9 | 177.1 | -63.5 | -59.8 | -167.7 | 169.5 | 5.1 | 109.2 | S209 Y210 Q212 K226 | S209-R228 CarbonylContact C-O 3.43Å; S209-R228 WeakPolarHBondContact CA-O 3.48Å; S209-R228 VanDerWaalsContact CB-O 3.26Å; S209-R228 WeakPolarHBondContact CB-O 3.12Å; Y210-R228 HydrophobicContact CD1-CB 4.08Å; Y210-R228 HydrophobicContact CD2-CB 4.05Å; Y210-R228 HydrophobicContact CD2-CG 4.48Å; Y210-R228 HydrophobicContact CE1-CB 3.6Å; Y210-R228 HydrophobicContact CE2-CB 3.58Å; Y210-R228 HydrophobicContact CE2-CG 3.83Å; Y210-R228 HydrophobicContact CG-CB 4.29Å; Y210-R228 PolarHBondContact N-O 3.06Å; Y210-R228 PolarHBondContact O-N 3.29Å; Q212-R228 HydrophobicContact CB-CG 4.02Å; Q212-R228 VanDerWaalsContact OE1-NE 3.14Å; K226-R228 PolarHBondContact O-N 2.66Å |
| 229 | P | 97.6 | Very high | 93.9 | Very high | 104 Ų | 104 | 69.6 Ų | 69.6 | 68% | 0.675 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 143.3 | 172.6 | 31.3 | -33 | 0 | 0 | 0 | 110 | ||
| 230 | C | 97 | Very high | 94 | Very high | 17 Ų | 17 | 70.2 Ų | 70.2 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 164.1 | 161.4 | -75.3 | 0 | 0 | 0 | 0 | 110.2 | R208 T234 C243 | R208-C230 WeakPolarHBondContact O-CB 3.4Å; R208-C230 PolarHBondContact O-N 3.09Å; C230-T234 WeakPolarHBondContact CB-OG1 3.38Å; C230-C243 WeakPolarHBondContact CA-SG 3.2Å; C230-C243 HydrophobicContact CB-CB 3.74Å; C230-C243 WeakPolarHBondContact CB-SG 3.48Å; C230-C243 WeakPolarHBondContact SG-CB 3.26Å; C230-C243 CovalentContact SG-SG 2.05Å; C230-C243 PolarHBondContact SG-SG 3.04Å |
| 231 | A | 93.5 | Very high | 94.3 | Very high | 42 Ų | 42 | 67.6 Ų | 67.6 | 35% | 0.347 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 157.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | N233 T234 | A231-N233 PolarHBondContact O-N 3.41Å; A231-T234 HydrophobicContact CB-CG2 4.26Å; A231-T234 PolarHBondContact N-OG1 3.06Å; A231-T234 PolarHBondContact O-N 2.91Å; A231-T234 VanDerWaalsContact O-N 3.09Å; A231-T234 PolarHBondContact O-OG1 3Å |
| 232 | P | 92.9 | Very high | 94.5 | Very high | 111 Ų | 111 | 65.9 Ų | 65.9 | 72% | 0.721 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 137.2 | 173.8 | -26.1 | 35 | 0 | 0 | 0 | 111.9 | T234 | P232-T234 PolarHBondContact O-N 2.05Š|
| 233 | N | 90.3 | Very high | 94.7 | Very high | 112 Ų | 112 | 67.4 Ų | 67.4 | 60% | 0.599 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 20.7 | -177.9 | -51.4 | -32.7 | 0 | 0 | 0 | 115.5 | A231 F245 | A231-N233 PolarHBondContact O-N 3.41Å; N233-F245 WeakPolarHBondContact O-CD1 2.98Å |
| 234 | T | 94.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.025 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 150.7 | 170.9 | 63.4 | 0 | 0 | 0 | 0 | 111.6 | C230 A231 P232 V244 F245 | C230-T234 WeakPolarHBondContact CB-OG1 3.38Å; A231-T234 HydrophobicContact CB-CG2 4.26Å; A231-T234 PolarHBondContact N-OG1 3.06Å; A231-T234 PolarHBondContact O-N 2.91Å; A231-T234 VanDerWaalsContact O-N 3.09Å; A231-T234 PolarHBondContact O-OG1 3Å; P232-T234 PolarHBondContact O-N 2.05Å; T234-V244 CarbonylContact C-O 3.49Å; T234-V244 WeakPolarHBondContact CA-O 3.3Å; T234-V244 WeakPolarHBondContact CB-O 2.99Å; T234-F245 HydrophobicContact CG2-CD1 3.48Å; T234-F245 VanDerWaalsContact CG2-CD1 3.48Å; T234-F245 HydrophobicContact CG2-CD2 4.31Å; T234-F245 HydrophobicContact CG2-CE1 3.33Å; T234-F245 HydrophobicContact CG2-CE2 4.2Å; T234-F245 HydrophobicContact CG2-CG 3.96Å; T234-F245 HydrophobicContact CG2-CZ 3.71Å |
| 235 | V | 95.6 | Very high | 94.3 | Very high | 21 Ų | 21 | 68 Ų | 68 | 13% | 0.127 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143.7 | 176.6 | -66.6 | 0 | 0 | 0 | 0 | 109.5 | T207 R208 S237 C243 V244 Q246 | T207-V235 CarbonylContact O-C 3.38Å; T207-V235 VanDerWaalsContact O-CA 3.31Å; T207-V235 WeakPolarHBondContact O-CA 3.45Å; R208-V235 HydrophobicContact CG-CG1 4.48Å; V235-S237 PolarHBondContact O-N 3.43Å; V235-C243 CarbonylContact O-C 3.48Å; V235-C243 WeakPolarHBondContact O-CA 3.15Å; V235-V244 HydrophobicContact CG2-CG2 4.08Å; V235-V244 PolarHBondContact N-O 2.91Å; V235-V244 PolarHBondContact O-N 3.15Å; V235-Q246 HydrophobicContact CG1-CB 4.26Å; V235-Q246 HydrophobicContact CG1-CG 4.46Å; V235-Q246 HydrophobicContact CG2-CB 4.15Å; V235-Q246 HydrophobicContact CG2-CG 4.43Å |
| 236 | F | 96.1 | Very high | 93.8 | Very high | 20 Ų | 20 | 69.6 Ų | 69.6 | 9% | 0.088 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 121.7 | 178.1 | -176.2 | -106.6 | 0 | 0 | 0 | 110.5 | L200 A202 T207 Y210 V238 Q241 | L200-F236 HydrophobicContact CB-CE2 4.45Å; L200-F236 HydrophobicContact CB-CZ 3.9Å; A202-F236 HydrophobicContact CB-CD1 4.38Å; T207-F236 PolarHBondContact O-N 2.88Å; Y210-F236 AromaticContact CD1-CD2 3.88Å; Y210-F236 HydrophobicContact CD1-CD2 3.88Å; Y210-F236 HydrophobicContact CD1-CE2 4.4Å; Y210-F236 HydrophobicContact CD1-CG 4.47Å; Y210-F236 HydrophobicContact CD2-CE2 4.3Å; Y210-F236 AromaticContact CG-CD2 3.74Å; Y210-F236 HydrophobicContact CG-CD2 3.74Å; Y210-F236 AromaticContact CG-CE2 3.94Å; Y210-F236 HydrophobicContact CG-CE2 3.94Å; Y210-F236 HydrophobicContact CG-CG 4.24Å; F236-V238 HydrophobicContact CD1-CG2 4.36Å; F236-V238 HydrophobicContact CE1-CG2 4.31Å; F236-Q241 HydrophobicContact CZ-CB 4.41Å |
| 237 | S | 94.9 | Very high | 93 | Very high | 33 Ų | 33 | 69.7 Ų | 69.7 | 23% | 0.231 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 116 | 173.8 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | V235 T239 Q241 V242 | V235-S237 PolarHBondContact O-N 3.43Å; S237-T239 VanDerWaalsContact C-N 3.26Å; S237-T239 PolarHBondContact O-N 2.89Å; S237-Q241 VanDerWaalsContact O-CA 3.29Å; S237-Q241 WeakPolarHBondContact O-CA 3.48Å; S237-Q241 PolarHBondContact O-N 2.93Å; S237-V242 PolarHBondContact N-O 3Å; S237-V242 PolarHBondContact O-N 3.18Å |
| 238 | V | 92.1 | Very high | 91.7 | Very high | 87 Ų | 87 | 69.6 Ų | 69.6 | 53% | 0.527 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -34.9 | 178.9 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | A202 F236 I240 | A202-V238 HydrophobicContact CB-CG2 3.57Å; F236-V238 HydrophobicContact CD1-CG2 4.36Å; F236-V238 HydrophobicContact CE1-CG2 4.31Å; V238-I240 PolarHBondContact O-N 2.95Å |
| 239 | T | 91.4 | Very high | 90.3 | Very high | 134 Ų | 134 | 68.9 Ų | 68.9 | 82% | 0.822 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -39.9 | -176.2 | -52.4 | 0 | 0 | 0 | 0 | 112.7 | S237 | S237-T239 VanDerWaalsContact C-N 3.26Å; S237-T239 PolarHBondContact O-N 2.89Å |
| 240 | I | 91.3 | Very high | 88.6 | Confident | 94 Ų | 94 | 69.1 Ų | 69.1 | 48% | 0.482 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 2.2 | -178.1 | 58.7 | 167.2 | 0 | 0 | 0 | 113 | V238 V242 V244 | V238-I240 PolarHBondContact O-N 2.95Å; I240-V242 HydrophobicContact CB-CG1 4.22Å; I240-V242 HydrophobicContact CD1-CG1 3.31Å; I240-V242 HydrophobicContact CG1-CG1 3.58Å; I240-V242 PolarHBondContact O-N 3.06Å; I240-V244 HydrophobicContact CD1-CG1 3.45Å; I240-V244 VanDerWaalsContact CD1-CG1 3.45Å; I240-V244 HydrophobicContact CG1-CG1 4.45Å |
| 241 | Q | 94.2 | Very high | 86.8 | Confident | 93 Ų | 93 | 74 Ų | 74 | 44% | 0.435 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 37.4 | 179.7 | -59.3 | -170.5 | -11.5 | 0 | 0 | 114.6 | L200 F236 S237 | L200-Q241 HydrophobicContact CD1-CB 4.14Å; L200-Q241 WeakPolarHBondContact CD1-O 3.31Å; F236-Q241 HydrophobicContact CZ-CB 4.41Å; S237-Q241 VanDerWaalsContact O-CA 3.29Å; S237-Q241 WeakPolarHBondContact O-CA 3.48Å; S237-Q241 PolarHBondContact O-N 2.93Å |
| 242 | V | 94.4 | Very high | 84.9 | Confident | 57 Ų | 57 | 75.2 Ų | 75.2 | 35% | 0.345 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 154 | 177.6 | 64.7 | 0 | 0 | 0 | 0 | 111 | S237 I240 V244 | S237-V242 PolarHBondContact N-O 3Å; S237-V242 PolarHBondContact O-N 3.18Å; I240-V242 HydrophobicContact CB-CG1 4.22Å; I240-V242 HydrophobicContact CD1-CG1 3.31Å; I240-V242 HydrophobicContact CG1-CG1 3.58Å; I240-V242 PolarHBondContact O-N 3.06Å; V242-V244 HydrophobicContact CG1-CG1 4.25Å; V242-V244 PolarHBondContact O-N 2.85Å |
| 243 | C | 95.9 | Very high | 83.1 | Confident | 34 Ų | 34 | 75.2 Ų | 75.2 | 23% | 0.23 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 122.8 | 171.2 | -59 | 0 | 0 | 0 | 0 | 109.8 | C230 V235 | C230-C243 WeakPolarHBondContact CA-SG 3.2Å; C230-C243 HydrophobicContact CB-CB 3.74Å; C230-C243 WeakPolarHBondContact CB-SG 3.48Å; C230-C243 WeakPolarHBondContact SG-CB 3.26Å; C230-C243 CovalentContact SG-SG 2.05Å; C230-C243 PolarHBondContact SG-SG 3.04Å; V235-C243 CarbonylContact O-C 3.48Å; V235-C243 WeakPolarHBondContact O-CA 3.15Å |
| 244 | V | 93.4 | Very high | 82 | Confident | 39 Ų | 39 | 73.4 Ų | 73.4 | 24% | 0.236 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 153.6 | 178.7 | -66.7 | 0 | 0 | 0 | 0 | 110.8 | T234 V235 I240 V242 Q246 | T234-V244 CarbonylContact C-O 3.49Å; T234-V244 WeakPolarHBondContact CA-O 3.3Å; T234-V244 WeakPolarHBondContact CB-O 2.99Å; V235-V244 HydrophobicContact CG2-CG2 4.08Å; V235-V244 PolarHBondContact N-O 2.91Å; V235-V244 PolarHBondContact O-N 3.15Å; I240-V244 HydrophobicContact CD1-CG1 3.45Å; I240-V244 VanDerWaalsContact CD1-CG1 3.45Å; I240-V244 HydrophobicContact CG1-CG1 4.45Å; V242-V244 HydrophobicContact CG1-CG1 4.25Å; V242-V244 PolarHBondContact O-N 2.85Å; V244-Q246 PolarHBondContact O-N 3.29Å |
| 245 | F | 89.2 | Confident | 80.7 | Confident | 38 Ų | 38 | 76.8 Ų | 76.8 | 17% | 0.167 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 135 | 167.9 | -68.2 | -75.2 | 0 | 0 | 0 | 109.2 | N233 T234 D247 N268 | N233-F245 WeakPolarHBondContact O-CD1 2.98Å; T234-F245 HydrophobicContact CG2-CD1 3.48Å; T234-F245 VanDerWaalsContact CG2-CD1 3.48Å; T234-F245 HydrophobicContact CG2-CD2 4.31Å; T234-F245 HydrophobicContact CG2-CE1 3.33Å; T234-F245 HydrophobicContact CG2-CE2 4.2Å; T234-F245 HydrophobicContact CG2-CG 3.96Å; T234-F245 HydrophobicContact CG2-CZ 3.71Å; F245-D247 PolarHBondContact O-N 2.83Å; F245-D247 VanDerWaalsContact O-N 3.15Å; F245-N268 HydrophobicContact CD1-CB 3.63Å; F245-N268 HydrophobicContact CD2-CB 3.76Å; F245-N268 HydrophobicContact CE1-CB 3.5Å; F245-N268 HydrophobicContact CE2-CB 3.62Å; F245-N268 HydrophobicContact CG-CB 3.78Å; F245-N268 HydrophobicContact CZ-CB 3.51Å |
| 246 | Q | 85.6 | Confident | 80.2 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 45% | 0.449 | 46% | 0.46 | S | S | . | . | trans | -72.8 | 107.5 | 174.4 | -167.4 | 161.2 | 14.7 | 0 | 0 | 106.6 | V235 V244 D248 | V235-Q246 HydrophobicContact CG1-CB 4.26Å; V235-Q246 HydrophobicContact CG1-CG 4.46Å; V235-Q246 HydrophobicContact CG2-CB 4.15Å; V235-Q246 HydrophobicContact CG2-CG 4.43Å; V244-Q246 PolarHBondContact O-N 3.29Å; Q246-D248 PolarHBondContact O-N 2.87Å | ||
| 247 | D | 78.4 | Confident | 79.7 | Confident | 109 Ų | 109 | 78.5 Ų | 78.5 | 58% | 0.583 | 46% | 0.463 | S | S | * | . | trans | -67.8 | 105.2 | 174.5 | -76.2 | -39.9 | 0 | 0 | 0 | 108.3 | F245 G249 Y269 | F245-D247 PolarHBondContact O-N 2.83Å; F245-D247 VanDerWaalsContact O-N 3.15Å; D247-G249 PolarHBondContact O-N 2Å; D247-Y269 PolarHBondContact OD1-OH 2.83Å | ||
| 248 | D | 70.7 | Confident | 79.3 | Confident | 131 Ų | 131 | 76.9 Ų | 76.9 | 70% | 0.701 | 45% | 0.452 | S | S | * | . | trans | -73.4 | 42.4 | 176.5 | -68.7 | -39.7 | 0 | 0 | 0 | 111.7 | Q246 I250 | Q246-D248 PolarHBondContact O-N 2.87Å; D248-I250 PolarHBondContact O-N 3.28Å; D248-I250 VanDerWaalsContact O-N 3.13Å | ||
| 249 | G | 68 | Low | 79 | Confident | 71 Ų | 71 | 75.9 Ų | 75.9 | 73% | 0.732 | 44% | 0.443 | S | S | * | . | S | Bend | trans | 68.3 | 9.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | D247 | D247-G249 PolarHBondContact O-N 2Š|
| 250 | I | 61.6 | Low | 78.6 | Confident | 109 Ų | 109 | 73.2 Ų | 73.2 | 56% | 0.559 | 43% | 0.429 | S | S | * | . | trans | -92.8 | 118.9 | 176.6 | -54.3 | 178.3 | 0 | 0 | 0 | 108.4 | D248 T252 | D248-I250 PolarHBondContact O-N 3.28Å; D248-I250 VanDerWaalsContact O-N 3.13Å; I250-T252 PolarHBondContact O-N 3.23Å | ||
| 251 | P | 57.9 | Low | 78 | Confident | 118 Ų | 118 | 72.4 Ų | 72.4 | 77% | 0.766 | 45% | 0.445 | S | S | * | . | trans | -62.9 | 106.7 | 175.2 | 24.8 | -31.5 | 0 | 0 | 0 | 109.2 | P253 | P251-P253 WeakPolarHBondContact O-CD 3.38Š| ||
| 252 | T | 53.8 | Low | 77.4 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 42% | 0.417 | 45% | 0.453 | S | S | . | . | trans | -72 | 123.5 | 172.9 | 34.6 | 0 | 0 | 0 | 0 | 109.7 | I250 T254 Y269 | I250-T252 PolarHBondContact O-N 3.23Å; T252-T254 PolarHBondContact O-N 2.95Å; T252-Y269 HydrophobicContact CG2-CD1 3.5Å; T252-Y269 VanDerWaalsContact CG2-CD1 3.5Å; T252-Y269 HydrophobicContact CG2-CE1 3.01Å; T252-Y269 HydrophobicContact CG2-CG 4.45Å | ||
| 253 | P | 56.3 | Low | 76.7 | Confident | 112 Ų | 112 | 75.5 Ų | 75.5 | 73% | 0.727 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -71.6 | 120.2 | 172.3 | 27.9 | -29.7 | 0 | 0 | 0 | 108.7 | P251 | P251-P253 WeakPolarHBondContact O-CD 3.38Š|
| 254 | T | 66.5 | Low | 76 | Confident | 73 Ų | 73 | 77.1 Ų | 77.1 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | S | Bend | trans | 67.3 | 122.4 | 177.7 | 63.2 | 0 | 0 | 0 | 0 | 116.3 | T252 Q256 I284 | T252-T254 PolarHBondContact O-N 2.95Å; T254-Q256 PolarHBondContact O-N 2.54Å; T254-I284 HydrophobicContact CG2-CD1 3.9Å |
| 255 | P | 68 | Low | 75.5 | Confident | 76 Ų | 76 | 75.9 Ų | 75.9 | 49% | 0.494 | 46% | 0.461 | S | S | . | . | trans | -67.5 | 121 | 176.1 | 27.6 | -32.3 | 0 | 0 | 0 | 109.5 | F266 | P255-F266 HydrophobicContact CB-CD1 4.21Å; P255-F266 HydrophobicContact CB-CE1 4.05Å | ||
| 256 | Q | 83.5 | Confident | 75.2 | Confident | 48 Ų | 48 | 79.3 Ų | 79.3 | 22% | 0.224 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 136.3 | 172.8 | -58.9 | 174.7 | -20.3 | 0 | 0 | 108.4 | T254 F266 C267 M271 C279 | T254-Q256 PolarHBondContact O-N 2.54Å; Q256-F266 WeakPolarHBondContact O-CA 3.36Å; Q256-C267 HydrophobicContact CB-CB 3.98Å; Q256-C267 VanDerWaalsContact CB-SG 3.6Å; Q256-C267 PolarHBondContact O-N 3.06Å; Q256-C267 PolarHBondContact O-SG 3.13Å; Q256-M271 PolarHBondContact NE2-SD 3.32Å; Q256-M271 PolarHBondContact OE1-SD 3.14Å; Q256-C279 VanDerWaalsContact CB-SG 3.57Å |
| 257 | I | 86.4 | Confident | 75.2 | Confident | 28 Ų | 28 | 75.5 Ų | 75.5 | 14% | 0.144 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 144.2 | -172.8 | 63.8 | 174.2 | 0 | 0 | 0 | 111.3 | I259 F263 G265 F266 C267 T280 V282 | I257-I259 HydrophobicContact CD1-CD1 3.64Å; I257-I259 HydrophobicContact CD1-CG1 3.93Å; I257-I259 HydrophobicContact CG1-CD1 3.94Å; I257-I259 HydrophobicContact CG1-CG1 3.9Å; I257-F263 HydrophobicContact CB-CD2 4.07Å; I257-F263 HydrophobicContact CB-CE2 3.9Å; I257-F263 HydrophobicContact CD1-CD2 4.34Å; I257-F263 HydrophobicContact CG2-CD2 4.25Å; I257-F263 HydrophobicContact CG2-CE2 3.71Å; I257-G265 CarbonylContact C-O 3.56Å; I257-G265 WeakPolarHBondContact CA-O 3.29Å; I257-F266 HydrophobicContact CG2-CD1 3.94Å; I257-F266 HydrophobicContact CG2-CE1 3.96Å; I257-C267 VanDerWaalsContact C-SG 3.54Å; I257-T280 HydrophobicContact CG1-CG2 3.92Å; I257-T280 PolarHBondContact N-O 3.4Å; I257-T280 VanDerWaalsContact N-O 3.1Å; I257-T280 PolarHBondContact O-N 3.13Å; I257-V282 HydrophobicContact CD1-CG2 3.42Å; I257-V282 VanDerWaalsContact CD1-CG2 3.42Å; I257-V282 HydrophobicContact CG1-CG2 3.69Å |
| 258 | C | 87.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 118.5 | 174.4 | -63.4 | 0 | 0 | 0 | 0 | 109.2 | I264 G265 F266 C267 C273 | C258-I264 HydrophobicContact CB-CB 4.2Å; C258-I264 PolarHBondContact O-N 3.22Å; C258-G265 PolarHBondContact N-O 2.96Å; C258-F266 VanDerWaalsContact SG-C 3.58Å; C258-C267 VanDerWaalsContact SG-SG 3.65Å; C258-C273 WeakPolarHBondContact CA-SG 3.29Å; C258-C273 HydrophobicContact CB-CB 3.51Å; C258-C273 WeakPolarHBondContact CB-SG 3.16Å; C258-C273 WeakPolarHBondContact SG-CA 2.92Å; C258-C273 WeakPolarHBondContact SG-CB 3.18Å; C258-C273 CovalentContact SG-SG 2.01Å; C258-C273 PolarHBondContact SG-SG 3.31Å |
| 259 | I | 84.7 | Confident | 75.9 | Confident | 65 Ų | 65 | 70.4 Ų | 70.4 | 33% | 0.333 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.8 | 179.8 | -50.2 | -179.5 | 0 | 0 | 0 | 109.5 | I257 V262 Q278 T280 | I257-I259 HydrophobicContact CD1-CD1 3.64Å; I257-I259 HydrophobicContact CD1-CG1 3.93Å; I257-I259 HydrophobicContact CG1-CD1 3.94Å; I257-I259 HydrophobicContact CG1-CG1 3.9Å; I259-V262 WeakPolarHBondContact CA-O 3.47Å; I259-Q278 PolarHBondContact N-O 2.74Å; I259-Q278 VanDerWaalsContact N-O 3.08Å; I259-Q278 PolarHBondContact O-N 3.42Å; I259-T280 HydrophobicContact CD1-CG2 3.49Å; I259-T280 VanDerWaalsContact CD1-CG2 3.49Å; I259-T280 HydrophobicContact CG1-CG2 4.04Å |
| 260 | S | 84.4 | Confident | 76.8 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -137.7 | 62.1 | 165.3 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | V262 I264 | S260-V262 PolarHBondContact N-O 3.33Å; S260-V262 VanDerWaalsContact N-O 3.13Å; S260-V262 PolarHBondContact O-N 2.61Å; S260-V262 VanDerWaalsContact O-N 3.09Å; S260-I264 VanDerWaalsContact CB-CD1 3.41Å |
| 261 | G | 78 | Confident | 77.9 | Confident | 78 Ų | 78 | 72.7 Ų | 72.7 | 80% | 0.804 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 75 | -22.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 262 | V | 81.4 | Confident | 79.2 | Confident | 102 Ų | 102 | 71.8 Ų | 71.8 | 62% | 0.618 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -131.8 | 152.5 | 172.8 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | I259 S260 I264 | I259-V262 WeakPolarHBondContact CA-O 3.47Å; S260-V262 PolarHBondContact N-O 3.33Å; S260-V262 VanDerWaalsContact N-O 3.13Å; S260-V262 PolarHBondContact O-N 2.61Å; S260-V262 VanDerWaalsContact O-N 3.09Å; V262-I264 PolarHBondContact O-N 2.01Å |
| 263 | F | 79.3 | Confident | 80.7 | Confident | 113 Ų | 113 | 69.5 Ų | 69.5 | 50% | 0.496 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 123.2 | 171.5 | 173.8 | -96.9 | 0 | 0 | 0 | 110 | I257 G265 F266 | I257-F263 HydrophobicContact CB-CD2 4.07Å; I257-F263 HydrophobicContact CB-CE2 3.9Å; I257-F263 HydrophobicContact CD1-CD2 4.34Å; I257-F263 HydrophobicContact CG2-CD2 4.25Å; I257-F263 HydrophobicContact CG2-CE2 3.71Å; F263-G265 WeakPolarHBondContact CE2-O 3.5Å; F263-F266 HydrophobicContact CZ-CD2 4.39Å; F263-F266 HydrophobicContact CZ-CE2 4.01Å; F263-F266 HydrophobicContact CZ-CZ 4.14Å |
| 264 | I | 81.9 | Confident | 81.7 | Confident | 68 Ų | 68 | 67.4 Ų | 67.4 | 35% | 0.349 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -33.8 | 179 | -69.1 | 166.4 | 0 | 0 | 0 | 111.2 | C258 S260 V262 P274 S277 | C258-I264 HydrophobicContact CB-CB 4.2Å; C258-I264 PolarHBondContact O-N 3.22Å; S260-I264 VanDerWaalsContact CB-CD1 3.41Å; V262-I264 PolarHBondContact O-N 2.01Å; I264-P274 HydrophobicContact CG2-CG 4.44Å; I264-S277 VanDerWaalsContact CD1-CB 3.42Å |
| 265 | G | 82.7 | Confident | 82.4 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 13% | 0.134 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.3 | -160.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I257 C258 F263 | I257-G265 CarbonylContact C-O 3.56Å; I257-G265 WeakPolarHBondContact CA-O 3.29Å; C258-G265 PolarHBondContact N-O 2.96Å; F263-G265 WeakPolarHBondContact CE2-O 3.5Å |
| 266 | F | 83.8 | Confident | 83 | Confident | 109 Ų | 109 | 72.9 Ų | 72.9 | 48% | 0.478 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 147.5 | 176.8 | -61.2 | -83.6 | 0 | 0 | 0 | 110.9 | P255 Q256 I257 C258 F263 | P255-F266 HydrophobicContact CB-CD1 4.21Å; P255-F266 HydrophobicContact CB-CE1 4.05Å; Q256-F266 WeakPolarHBondContact O-CA 3.36Å; I257-F266 HydrophobicContact CG2-CD1 3.94Å; I257-F266 HydrophobicContact CG2-CE1 3.96Å; C258-F266 VanDerWaalsContact SG-C 3.58Å; F263-F266 HydrophobicContact CZ-CD2 4.39Å; F263-F266 HydrophobicContact CZ-CE2 4.01Å; F263-F266 HydrophobicContact CZ-CZ 4.14Å |
| 267 | C | 85 | Confident | 83.1 | Confident | 17 Ų | 17 | 71.2 Ų | 71.2 | 12% | 0.115 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 157.3 | 176.1 | -45 | 0 | 0 | 0 | 0 | 111.2 | Q256 I257 C258 C279 | Q256-C267 HydrophobicContact CB-CB 3.98Å; Q256-C267 VanDerWaalsContact CB-SG 3.6Å; Q256-C267 PolarHBondContact O-N 3.06Å; Q256-C267 PolarHBondContact O-SG 3.13Å; I257-C267 VanDerWaalsContact C-SG 3.54Å; C258-C267 VanDerWaalsContact SG-SG 3.65Å; C267-C279 HydrophobicContact CB-CB 3.87Å; C267-C279 WeakPolarHBondContact CB-SG 3.44Å; C267-C279 WeakPolarHBondContact SG-CA 2.93Å; C267-C279 WeakPolarHBondContact SG-CB 3.23Å; C267-C279 CovalentContact SG-SG 2Å; C267-C279 PolarHBondContact SG-SG 2.96Å |
| 268 | N | 83 | Confident | 83.2 | Confident | 23 Ų | 23 | 77.4 Ų | 77.4 | 12% | 0.123 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 173.4 | 164.2 | 67.8 | 13 | 0 | 0 | 0 | 112.2 | F245 Q270 M271 Q272 | F245-N268 HydrophobicContact CD1-CB 3.63Å; F245-N268 HydrophobicContact CD2-CB 3.76Å; F245-N268 HydrophobicContact CE1-CB 3.5Å; F245-N268 HydrophobicContact CE2-CB 3.62Å; F245-N268 HydrophobicContact CG-CB 3.78Å; F245-N268 HydrophobicContact CZ-CB 3.51Å; N268-Q270 PolarHBondContact O-N 2.92Å; N268-Q270 VanDerWaalsContact OD1-C 3.29Å; N268-Q270 VanDerWaalsContact OD1-CA 3.27Å; N268-Q270 WeakPolarHBondContact OD1-CA 3.4Å; N268-Q270 WeakPolarHBondContact OD1-CB 3.11Å; N268-Q270 PolarHBondContact OD1-N 2.71Å; N268-M271 PolarHBondContact O-N 2.87Å; N268-M271 PolarHBondContact OD1-N 3.09Å; N268-Q272 PolarHBondContact N-O 2.92Å; N268-Q272 VanDerWaalsContact N-O 3.12Å; N268-Q272 PolarHBondContact ND2-OE1 2.81Å; N268-Q272 WeakPolarHBondContact OD1-CA 3.43Å; N268-Q272 WeakPolarHBondContact OD1-CB 3.44Å; N268-Q272 PolarHBondContact OD1-N 3.01Å; N268-Q272 PolarHBondContact OD1-O 3.47Å |
| 269 | Y | 81.7 | Confident | 83.3 | Confident | 110 Ų | 110 | 78.6 Ų | 78.6 | 43% | 0.431 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -16.8 | 171.9 | -58.8 | -95.9 | 0 | 0 | 0 | 114.7 | D247 T252 | D247-Y269 PolarHBondContact OD1-OH 2.83Å; T252-Y269 HydrophobicContact CG2-CD1 3.5Å; T252-Y269 VanDerWaalsContact CG2-CD1 3.5Å; T252-Y269 HydrophobicContact CG2-CE1 3.01Å; T252-Y269 HydrophobicContact CG2-CG 4.45Å |
| 270 | Q | 85.6 | Confident | 83.4 | Confident | 135 Ų | 135 | 78.4 Ų | 78.4 | 63% | 0.631 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 13.2 | 178.2 | -61.8 | -174.8 | -22.8 | 0 | 0 | 113.2 | N268 Q272 | N268-Q270 PolarHBondContact O-N 2.92Å; N268-Q270 VanDerWaalsContact OD1-C 3.29Å; N268-Q270 VanDerWaalsContact OD1-CA 3.27Å; N268-Q270 WeakPolarHBondContact OD1-CA 3.4Å; N268-Q270 WeakPolarHBondContact OD1-CB 3.11Å; N268-Q270 PolarHBondContact OD1-N 2.71Å; Q270-Q272 HydrophobicContact CB-CG 4.15Å; Q270-Q272 PolarHBondContact O-N 3.03Å |
| 271 | M | 85.6 | Confident | 83.3 | Confident | 92 Ų | 92 | 78.2 Ų | 78.2 | 45% | 0.453 | 44% | 0.442 | S | S | . | . | S | Bend | trans | 60.9 | 24.2 | -174.8 | -49 | -71.2 | -56.6 | 0 | 0 | 113.7 | Q256 N268 C279 | Q256-M271 PolarHBondContact NE2-SD 3.32Å; Q256-M271 PolarHBondContact OE1-SD 3.14Å; N268-M271 PolarHBondContact O-N 2.87Å; N268-M271 PolarHBondContact OD1-N 3.09Å; M271-C279 HydrophobicContact CB-CB 4.31Å; M271-C279 HydrophobicContact CE-CB 4.32Å; M271-C279 WeakPolarHBondContact O-CB 3.3Å |
| 272 | Q | 85.6 | Confident | 83 | Confident | 100 Ų | 100 | 76.9 Ų | 76.9 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | trans | -101.3 | 141.4 | -179.2 | -61.5 | 165.2 | 5.3 | 0 | 0 | 110.5 | N268 Q270 | N268-Q272 PolarHBondContact N-O 2.92Å; N268-Q272 VanDerWaalsContact N-O 3.12Å; N268-Q272 PolarHBondContact ND2-OE1 2.81Å; N268-Q272 WeakPolarHBondContact OD1-CA 3.43Å; N268-Q272 WeakPolarHBondContact OD1-CB 3.44Å; N268-Q272 PolarHBondContact OD1-N 3.01Å; N268-Q272 PolarHBondContact OD1-O 3.47Å; Q270-Q272 HydrophobicContact CB-CG 4.15Å; Q270-Q272 PolarHBondContact O-N 3.03Å | ||
| 273 | C | 84.5 | Confident | 82.1 | Confident | 19 Ų | 19 | 76.6 Ų | 76.6 | 13% | 0.128 | 42% | 0.419 | C | S | . | . | trans | -117.1 | 149.3 | 174.4 | -65.8 | 0 | 0 | 0 | 0 | 110.1 | C258 G275 S277 C279 | C258-C273 WeakPolarHBondContact CA-SG 3.29Å; C258-C273 HydrophobicContact CB-CB 3.51Å; C258-C273 WeakPolarHBondContact CB-SG 3.16Å; C258-C273 WeakPolarHBondContact SG-CA 2.92Å; C258-C273 WeakPolarHBondContact SG-CB 3.18Å; C258-C273 CovalentContact SG-SG 2.01Å; C258-C273 PolarHBondContact SG-SG 3.31Å; C273-G275 PolarHBondContact O-N 2.93Å; C273-S277 WeakPolarHBondContact CB-O 3.3Å; C273-S277 WeakPolarHBondContact CB-OG 3.48Å; C273-C279 VanDerWaalsContact SG-CA 3.58Å | ||
| 274 | P | 77.5 | Confident | 81.1 | Confident | 68 Ų | 68 | 75.5 Ų | 75.5 | 44% | 0.442 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -61.5 | 138 | 173.5 | 24.1 | -31 | 0 | 0 | 0 | 110.9 | I264 S277 | I264-P274 HydrophobicContact CG2-CG 4.44Å; P274-S277 PolarHBondContact O-OG 2.86Å |
| 275 | G | 80.7 | Confident | 79.9 | Confident | 78 Ų | 78 | 77.9 Ų | 77.9 | 80% | 0.804 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | -138.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | C273 | C273-G275 PolarHBondContact O-N 2.93Š|
| 276 | M | 80.5 | Confident | 78.4 | Confident | 186 Ų | 186 | 80.5 Ų | 80.5 | 92% | 0.916 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 9.4 | -176.9 | -67.3 | -102.9 | -70 | 0 | 0 | 113.1 | ||
| 277 | S | 86.3 | Confident | 76.6 | Confident | 14 Ų | 14 | 82.9 Ų | 82.9 | 10% | 0.098 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -76 | 149.8 | -177 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | I264 C273 P274 | I264-S277 VanDerWaalsContact CD1-CB 3.42Å; C273-S277 WeakPolarHBondContact CB-O 3.3Å; C273-S277 WeakPolarHBondContact CB-OG 3.48Å; P274-S277 PolarHBondContact O-OG 2.86Å |
| 278 | Q | 88.2 | Confident | 74.6 | Confident | 157 Ų | 157 | 88 Ų | 88 | 73% | 0.734 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.6 | 178.9 | -65.9 | -174.2 | 4.2 | 0 | 0 | 109.6 | I259 | I259-Q278 PolarHBondContact N-O 2.74Å; I259-Q278 VanDerWaalsContact N-O 3.08Å; I259-Q278 PolarHBondContact O-N 3.42Å |
| 279 | C | 89.5 | Confident | 73 | Confident | 26 Ų | 26 | 94.4 Ų | 94.4 | 18% | 0.176 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 122.8 | 172.8 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | Q256 C267 M271 C273 | Q256-C279 VanDerWaalsContact CB-SG 3.57Å; C267-C279 HydrophobicContact CB-CB 3.87Å; C267-C279 WeakPolarHBondContact CB-SG 3.44Å; C267-C279 WeakPolarHBondContact SG-CA 2.93Å; C267-C279 WeakPolarHBondContact SG-CB 3.23Å; C267-C279 CovalentContact SG-SG 2Å; C267-C279 PolarHBondContact SG-SG 2.96Å; M271-C279 HydrophobicContact CB-CB 4.31Å; M271-C279 HydrophobicContact CE-CB 4.32Å; M271-C279 WeakPolarHBondContact O-CB 3.3Å; C273-C279 VanDerWaalsContact SG-CA 3.58Å |
| 280 | T | 87 | Confident | 71.5 | Confident | 61 Ų | 61 | 94.5 Ų | 94.5 | 37% | 0.374 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.9 | 173.6 | -164.2 | 0 | 0 | 0 | 0 | 110.7 | I257 I259 V282 | I257-T280 HydrophobicContact CG1-CG2 3.92Å; I257-T280 PolarHBondContact N-O 3.4Å; I257-T280 VanDerWaalsContact N-O 3.1Å; I257-T280 PolarHBondContact O-N 3.13Å; I259-T280 HydrophobicContact CD1-CG2 3.49Å; I259-T280 VanDerWaalsContact CD1-CG2 3.49Å; I259-T280 HydrophobicContact CG1-CG2 4.04Å; T280-V282 HydrophobicContact CG2-CG2 4.43Å; T280-V282 PolarHBondContact O-N 2.9Å |
| 281 | S | 81.5 | Confident | 70.3 | Confident | 73 Ų | 73 | 92.2 Ų | 92.2 | 51% | 0.51 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.7 | 114.2 | 167.2 | 55.9 | 0 | 0 | 0 | 0 | 108 | P283 | S281-P283 VanDerWaalsContact O-CD 3.3Å; S281-P283 WeakPolarHBondContact O-CD 3.31Å |
| 282 | V | 72.9 | Confident | 69.5 | Low | 50 Ų | 50 | 93.7 Ų | 93.7 | 30% | 0.303 | 57% | 0.571 | S | S | . | * | trans | -80.5 | 116.4 | 169.4 | -173.5 | 0 | 0 | 0 | 0 | 107.1 | I257 T280 I284 | I257-V282 HydrophobicContact CD1-CG2 3.42Å; I257-V282 VanDerWaalsContact CD1-CG2 3.42Å; I257-V282 HydrophobicContact CG1-CG2 3.69Å; T280-V282 HydrophobicContact CG2-CG2 4.43Å; T280-V282 PolarHBondContact O-N 2.9Å; V282-I284 PolarHBondContact O-N 2.98Å | ||
| 283 | P | 62.4 | Low | 68.6 | Low | 97 Ų | 97 | 93.3 Ų | 93.3 | 63% | 0.63 | 59% | 0.585 | S | S | * | * | trans | -62.3 | 124.9 | 171.2 | 25.1 | -30.5 | 0 | 0 | 0 | 108 | S281 S285 | S281-P283 VanDerWaalsContact O-CD 3.3Å; S281-P283 WeakPolarHBondContact O-CD 3.31Å; P283-S285 PolarHBondContact O-N 2.94Å | ||
| 284 | I | 58 | Low | 67.9 | Low | 89 Ų | 89 | 98.3 Ų | 98.3 | 46% | 0.456 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -61.9 | -1.2 | -175.3 | -68.3 | 170.7 | 0 | 0 | 0 | 113 | T254 V282 G286 | T254-I284 HydrophobicContact CG2-CD1 3.9Å; V282-I284 PolarHBondContact O-N 2.98Å; I284-G286 PolarHBondContact O-N 2.68Å |
| 285 | S | 56.4 | Low | 67.8 | Low | 118 Ų | 118 | 99.4 Ų | 99.4 | 83% | 0.825 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -72.5 | 6.6 | -176.6 | 91.7 | 0 | 0 | 0 | 0 | 115.8 | P283 | P283-S285 PolarHBondContact O-N 2.94Š|
| 286 | G | 50.8 | Low | 67.5 | Low | 68 Ų | 68 | 101.7 Ų | 101.7 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -109.8 | -7.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | I284 | I284-G286 PolarHBondContact O-N 2.68Š|
| 287 | Y | 46.8 | Very low | 67 | Low | 159 Ų | 159 | 97.1 Ų | 97.1 | 62% | 0.624 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -90.4 | 127.8 | 176.6 | -64.8 | -80 | 0 | 0 | 0 | 109.4 | Q289 | Y287-Q289 PolarHBondContact O-N 2.81Š|
| 288 | P | 41.9 | Very low | 66.2 | Low | 124 Ų | 124 | 102.6 Ų | 102.6 | 81% | 0.805 | 66% | 0.659 | S | S | * | * | trans | -59.9 | 106.6 | 171.7 | 22.5 | -28.8 | 0 | 0 | 0 | 108.3 | ||||
| 289 | Q | 49.5 | Very low | 65.1 | Low | 158 Ų | 158 | 100.5 Ų | 100.5 | 74% | 0.738 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 129 | 168.7 | -80.1 | -84.4 | -55.5 | 0 | 0 | 107.2 | Y287 A291 | Y287-Q289 PolarHBondContact O-N 2.81Å; Q289-A291 PolarHBondContact O-N 2.66Å |
| 290 | P | 50.5 | Low | 64 | Low | 112 Ų | 112 | 102.7 Ų | 102.7 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 128.1 | 168.1 | -19.7 | 30.2 | 0 | 0 | 0 | 108.3 | ||
| 291 | A | 60.2 | Low | 62.7 | Low | 87 Ų | 87 | 103.5 Ų | 103.5 | 72% | 0.719 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 138.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109 | Q289 A293 | Q289-A291 PolarHBondContact O-N 2.66Å; A291-A293 PolarHBondContact O-N 3.42Å |
| 292 | P | 69.9 | Low | 61.8 | Low | 124 Ų | 124 | 104.9 Ų | 104.9 | 81% | 0.805 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 132.8 | 177.2 | 21.4 | -30.4 | 0 | 0 | 0 | 109.3 | ||
| 293 | A | 65.5 | Low | 61.2 | Low | 92 Ų | 92 | 109.3 Ų | 109.3 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 134.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | A291 | A291-A293 PolarHBondContact O-N 3.42Š|
| 294 | P | 71.2 | Confident | 60.9 | Low | 123 Ų | 123 | 114.8 Ų | 114.8 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 139.8 | 173.3 | 23.7 | -30.5 | 0 | 0 | 0 | 109.8 | ||
| 295 | A | 73.5 | Confident | 61.3 | Low | 91 Ų | 91 | 116 Ų | 116 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 140.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A297 | A295-A297 PolarHBondContact O-N 2.78Š|
| 296 | P | 74.2 | Confident | 61.5 | Low | 127 Ų | 127 | 116.7 Ų | 116.7 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62 | 126.6 | -179.1 | 22.9 | -30.7 | 0 | 0 | 0 | 110.8 | ||
| 297 | A | 70.4 | Confident | 61.6 | Low | 89 Ų | 89 | 116.5 Ų | 116.5 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 143.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A295 A299 | A295-A297 PolarHBondContact O-N 2.78Å; A297-A299 PolarHBondContact O-N 3.48Å |
| 298 | P | 69.8 | Low | 62 | Low | 129 Ų | 129 | 118.1 Ų | 118.1 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 132.1 | -178.3 | 23.9 | -31.1 | 0 | 0 | 0 | 112 | G300 | P298-G300 PolarHBondContact O-N 3.3Å; P298-G300 VanDerWaalsContact O-N 3.08Å |
| 299 | A | 65.8 | Low | 62.4 | Low | 113 Ų | 113 | 118.2 Ų | 118.2 | 93% | 0.934 | 79% | 0.787 | S | S | * | * | trans | -71.3 | 96 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A297 | A297-A299 PolarHBondContact O-N 3.48Š| ||
| 300 | G | 65.2 | Low | 62.4 | Low | 73 Ų | 73 | 113.7 Ų | 113.7 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -105.9 | 106.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P298 | P298-G300 PolarHBondContact O-N 3.3Å; P298-G300 VanDerWaalsContact O-N 3.08Å | ||
| 301 | G | 61.1 | Low | 62.4 | Low | 78 Ų | 78 | 115.2 Ų | 115.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 134.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 302 | P | 61.7 | Low | 61.7 | Low | 102 Ų | 102 | 120.2 Ų | 120.2 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -101 | 125.7 | 165.7 | 30.8 | -21.1 | 0 | 0 | 0 | 111 | Y304 | P302-Y304 HydrophobicContact CB-CE2 4.27Å; P302-Y304 HydrophobicContact CG-CE2 4.42Å |
| 303 | T | 61.2 | Low | 60.6 | Low | 142 Ų | 142 | 118.1 Ų | 118.1 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 128.1 | 164.2 | 35.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 304 | Y | 54.6 | Low | 59.7 | Low | 212 Ų | 212 | 119.1 Ų | 119.1 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -118.9 | 134.3 | 167.7 | -85.5 | -85.8 | 0 | 0 | 0 | 110.1 | P302 | P302-Y304 HydrophobicContact CB-CE2 4.27Å; P302-Y304 HydrophobicContact CG-CE2 4.42Å | ||
| 305 | P | 67.7 | Low | 58.7 | Low | 115 Ų | 115 | 122.1 Ų | 122.1 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | trans | -90.1 | 153.9 | 164.9 | 33.5 | -28.9 | 0 | 0 | 0 | 111.8 | ||||
| 306 | P | 59.8 | Low | 57.3 | Low | 132 Ų | 132 | 123.9 Ų | 123.9 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -95.2 | 140.8 | -169.2 | 35 | -31.3 | 0 | 0 | 0 | 113.6 | ||||
| 307 | G | 52.3 | Low | 55.8 | Low | 64 Ų | 64 | 120.8 Ų | 120.8 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | trans | 159.4 | 103.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 308 | H | 56 | Low | 54.4 | Low | 193 Ų | 193 | 126.3 Ų | 126.3 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | trans | 153 | 133.2 | 135.3 | -82.9 | -63.2 | 0 | 0 | 0 | 111.8 | ||||
| 309 | P | 50.3 | Low | 53.3 | Low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -96.4 | 142.7 | 172.7 | 35.8 | -27.7 | 0 | 0 | 0 | 111 | ||||
| 310 | G | 49.6 | Very low | 52.5 | Low | 64 Ų | 64 | 128.4 Ų | 128.4 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | trans | 180 | 101.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 311 | T | 51.7 | Low | 51.4 | Low | 143 Ų | 143 | 130.8 Ų | 130.8 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | 72 | 126 | 136.4 | 31 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 312 | H | 44.6 | Very low | 50.6 | Low | 192 Ų | 192 | 130.9 Ų | 130.9 | 89% | 0.889 | 79% | 0.793 | S | S | * | * | trans | -40.5 | 149.1 | 169 | -72.1 | -104.8 | 0 | 0 | 0 | 117.8 | ||||
| 313 | G | 46 | Very low | 49.4 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -168.4 | 98.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 314 | S | 48.2 | Very low | 48.3 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -76.3 | 145 | 173.3 | -52.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 315 | M | 48.8 | Very low | 47.8 | Very low | 187 Ų | 187 | 134 Ų | 134 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -165 | 123.3 | 154 | -105.3 | -87.3 | 175.3 | 0 | 0 | 110.1 | ||||
| 316 | P | 44.3 | Very low | 46.3 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -116.3 | 153.1 | 167.2 | 36.5 | -24.5 | 0 | 0 | 0 | 112.4 | ||||
| 317 | G | 43 | Very low | 45.8 | Very low | 62 Ų | 62 | 139.9 Ų | 139.9 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | -172.9 | 114.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 318 | Y | 41.8 | Very low | 45.2 | Very low | 204 Ų | 204 | 144.2 Ų | 144.2 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | 79 | 133.3 | 106.8 | -96.4 | -110.6 | 0 | 0 | 0 | 114.5 | |||||
| 319 | Y | 44.7 | Very low | 44.5 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | cis | -165.7 | 172.3 | -1.3 | -130.6 | -120.6 | 0 | 0 | 0 | 107.6 | ||||
| 320 | P | 49.2 | Very low | 44.1 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | trans | -111.6 | 176.9 | -165.3 | 40.2 | -28.3 | 0 | 0 | 0 | 114.7 | ||||
| 321 | S | 42 | Very low | 43.9 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | 145 | 134.3 | 133.7 | -66.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 322 | G | 45 | Very low | 43.6 | Very low | 81 Ų | 81 | 149.9 Ų | 149.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -163.7 | 99.7 | 165 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 323 | M | 37.7 | Very low | 43.5 | Very low | 181 Ų | 181 | 150 Ų | 150 | 89% | 0.892 | 80% | 0.799 | S | S | * | * | trans | -85.9 | 149.4 | 173.3 | -62.4 | -150.4 | -68.9 | 0 | 0 | 110.9 | ||||
| 324 | F | 37 | Very low | 43.7 | Very low | 193 Ų | 193 | 156.1 Ų | 156.1 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -153.9 | 114.3 | 147.2 | -138.6 | -101.3 | 0 | 0 | 0 | 115.1 | ||||
| 325 | M | 43.7 | Very low | 43.3 | Very low | 146 Ų | 146 | 154.4 Ų | 154.4 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | 51.2 | 112.2 | 145.4 | -68.3 | -73 | -179.6 | 0 | 0 | 122.2 | ||||
| 326 | D | 37.4 | Very low | 43.3 | Very low | 152 Ų | 152 | 155.5 Ų | 155.5 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -100.9 | 140.1 | 153.8 | -165.2 | -6 | 0 | 0 | 0 | 109.3 | ||||
| 327 | Y | 48.4 | Very low | 43.3 | Very low | 219 Ų | 219 | 161.2 Ų | 161.2 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | -109.4 | 118 | 178.4 | -131.8 | -89.6 | 0 | 0 | 0 | 109.9 | ||||
| 328 | Q | 40.3 | Very low | 43.5 | Very low | 155 Ų | 155 | 166.1 Ų | 166.1 | 72% | 0.724 | 82% | 0.818 | S | S | * | * | trans | -54.9 | 152.5 | -179.2 | -59.1 | -172.3 | -1.3 | 0 | 0 | 114.2 | ||||
| 329 | T | 41.7 | Very low | 43.7 | Very low | 142 Ų | 142 | 162.5 Ų | 162.5 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | -152 | 116.9 | 113.6 | -52 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 330 | R | 41.2 | Very low | 43.4 | Very low | 202 Ų | 202 | 159.3 Ų | 159.3 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | trans | -84.7 | 140.8 | 167 | -73.4 | 178 | 175.5 | -161.7 | -0.5 | 110.1 | ||||
| 331 | Q | 46.3 | Very low | 43.2 | Very low | 188 Ų | 188 | 162.7 Ų | 162.7 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | trans | -132.3 | 142.3 | 144.1 | -83.9 | -64.7 | -20.2 | 0 | 0 | 109.8 | ||||
| 332 | V | 45.3 | Very low | 43.2 | Very low | 114 Ų | 114 | 167.8 Ų | 167.8 | 69% | 0.691 | 83% | 0.831 | S | S | * | * | trans | -100.4 | 140.4 | -148.1 | 164.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 333 | K | 42.1 | Very low | 43.1 | Very low | 193 Ų | 193 | 173.4 Ų | 173.4 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | trans | -49.8 | 141.9 | 163.3 | -86.4 | 174.4 | 172.6 | 171 | 0 | 112.5 | ||||
| 334 | K | 49.5 | Very low | 43.3 | Very low | 211 Ų | 211 | 172.8 Ų | 172.8 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | trans | -153.7 | 111 | 133.6 | -110.5 | 170.9 | -173.7 | 177.6 | 0 | 110.3 | ||||
| 335 | G | 41.1 | Very low | 43.5 | Very low | 75 Ų | 75 | 175 Ų | 175 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | -78.2 | 163.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 336 | K | 47.5 | Very low | 43.5 | Very low | 211 Ų | 211 | 175.4 Ų | 175.4 | 92% | 0.917 | 84% | 0.835 | S | S | * | * | trans | -152.8 | 119.4 | 148.4 | -101.4 | 175 | -175.2 | -177.7 | 0 | 108.2 | ||||
| 337 | R | 43.7 | Very low | 43.5 | Very low | 247 Ų | 247 | 172.6 Ų | 172.6 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | trans | -62.9 | 134.7 | 166.8 | -77.4 | 176.8 | 172.1 | 176.3 | -3.1 | 109.2 | ||||
| 338 | L | 48.9 | Very low | 43.2 | Very low | 166 Ų | 166 | 168 Ų | 168 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | trans | -143.6 | 119.9 | 149.8 | -94.4 | 162.9 | 0 | 0 | 0 | 109.4 | ||||
| 339 | V | 44.9 | Very low | 43.2 | Very low | 127 Ų | 127 | 164.8 Ų | 164.8 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | trans | -0.4 | 141.5 | 159 | -170.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 340 | P | 38.4 | Very low | 43.3 | Very low | 120 Ų | 120 | 167.5 Ų | 167.5 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 136.8 | -174.3 | 33.9 | -33.8 | 0 | 0 | 0 | 112.9 | ||
| 341 | L | 45.4 | Very low | 43.1 | Very low | 170 Ų | 170 | 168.4 Ų | 168.4 | 89% | 0.89 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 117.4 | 165.6 | -88.6 | 162.9 | 0 | 0 | 0 | 110.1 | ||
| 342 | R | 41.8 | Very low | 43.1 | Very low | 231 Ų | 231 | 164.9 Ų | 164.9 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 131.2 | 165.1 | -81.6 | 175.5 | 170.3 | 159.9 | -3.5 | 109.8 | ||
| 343 | F | 43.2 | Very low | 42.9 | Very low | 199 Ų | 199 | 166.8 Ų | 166.8 | 87% | 0.873 | 84% | 0.835 | S | S | * | * | trans | -121.3 | 108.8 | 149 | -105.7 | -86.3 | 0 | 0 | 0 | 108.5 | ||||
| 344 | Q | 41.2 | Very low | 42.7 | Very low | 168 Ų | 168 | 161 Ų | 161 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -69.8 | 133.5 | 160 | -78.6 | 176.3 | -32.2 | 0 | 0 | 108.2 | ||||
| 345 | R | 42.8 | Very low | 42.5 | Very low | 240 Ų | 240 | 159.5 Ų | 159.5 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | -145.3 | 134.5 | 143.2 | -108.8 | 178.9 | -171.1 | -179 | 2.2 | 110.1 | ||||
| 346 | N | 43.5 | Very low | 42.8 | Very low | 154 Ų | 154 | 162.3 Ų | 162.3 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -64.2 | 153.3 | -164.6 | -61.6 | -37.2 | 0 | 0 | 0 | 115.1 | ||||
| 347 | A | 37.4 | Very low | 42.7 | Very low | 92 Ų | 92 | 163.7 Ų | 163.7 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -74.2 | 178.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 348 | P | 42 | Very low | 42.8 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | -141.5 | 158.8 | 74.8 | 33.7 | -14.3 | 0 | 0 | 0 | 115.8 | |||||
| 349 | A | 38.7 | Very low | 42.6 | Very low | 88 Ų | 88 | 160.2 Ų | 160.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -74.3 | 149.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 350 | F | 44.7 | Very low | 42.4 | Very low | 200 Ų | 200 | 157.8 Ų | 157.8 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -139.9 | 116.1 | 155.5 | -105.3 | -87.9 | 0 | 0 | 0 | 108.8 | ||||
| 351 | Y | 37 | Very low | 42.4 | Very low | 220 Ų | 220 | 160.8 Ų | 160.8 | 86% | 0.863 | 81% | 0.811 | S | S | * | * | trans | -117.2 | 147.6 | 152.7 | -98 | -84.4 | 0 | 0 | 0 | 105.8 | ||||
| 352 | P | 47.2 | Very low | 42.3 | Very low | 115 Ų | 115 | 158.7 Ų | 158.7 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | -139.7 | 146.2 | 118 | 28.1 | -9.8 | 0 | 0 | 0 | 114.2 | |||||
| 353 | N | 40.4 | Very low | 42.2 | Very low | 153 Ų | 153 | 151.7 Ų | 151.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -38.1 | 172.1 | 149.2 | -69.8 | -24.1 | 0 | 0 | 0 | 112.9 | ||||
| 354 | A | 38.3 | Very low | 41.9 | Very low | 73 Ų | 73 | 147.6 Ų | 147.6 | 60% | 0.603 | 79% | 0.793 | S | S | * | * | cis | -176 | 172 | -18 | 0 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 355 | E | 45.1 | Very low | 41.9 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | 93.1 | 139.5 | 159.4 | -58.9 | 165.7 | 163.3 | 0 | 0 | 119.3 | ||||
| 356 | D | 45.9 | Very low | 41.7 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | 75.1 | 105.7 | 163.5 | -56.1 | -19 | 0 | 0 | 0 | 119.4 | ||||
| 357 | W | 47.3 | Very low | 41.4 | Very low | 239 Ų | 239 | 146.5 Ų | 146.5 | 91% | 0.905 | 79% | 0.789 | S | S | * | * | 177.9 | 121.4 | 96.9 | -93.9 | 94.8 | 0 | 0 | 0 | 112.2 | |||||
| 358 | E | 45.1 | Very low | 41.6 | Very low | 158 Ų | 158 | 149.5 Ų | 149.5 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -52 | 138.3 | 166.9 | -89.6 | -178 | 154.1 | 0 | 0 | 113.3 | ||||
| 359 | E | 44.1 | Very low | 41.4 | Very low | 182 Ų | 182 | 152 Ų | 152 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | 83.9 | 127.7 | 95.6 | -153.5 | 174.9 | -137.1 | 0 | 0 | 113.7 | |||||
| 360 | G | 41.4 | Very low | 41.3 | Very low | 77 Ų | 77 | 157 Ų | 157 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 161.5 | 89 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 361 | Q | 38.5 | Very low | 41.2 | Very low | 182 Ų | 182 | 154.1 Ų | 154.1 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -65 | 167.5 | 176.7 | -65.4 | 179.5 | -11.6 | 0 | 0 | 114.5 | ||||
| 362 | V | 41.9 | Very low | 41.5 | Very low | 126 Ų | 126 | 151 Ų | 151 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | 131 | 115.4 | 128.2 | -174.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 363 | A | 40.4 | Very low | 41.4 | Very low | 85 Ų | 85 | 148.9 Ų | 148.9 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | trans | 65.6 | 112.5 | 143.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 364 | S | 37.3 | Very low | 41.5 | Very low | 113 Ų | 113 | 149 Ų | 149 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -36.4 | 128.7 | 140.9 | 50.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 365 | K | 41.5 | Very low | 41.8 | Very low | 206 Ų | 206 | 152.6 Ų | 152.6 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | trans | -153 | 138.4 | 140.1 | -110.6 | 170.5 | -172.5 | 179 | 0 | 111.2 | ||||
| 366 | T | 38.9 | Very low | 41.8 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -61.3 | 150.1 | -177.8 | 41.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 367 | W | 36.6 | Very low | 41.5 | Very low | 212 Ų | 212 | 150.5 Ų | 150.5 | 80% | 0.803 | 80% | 0.799 | S | S | * | * | 179.7 | 127.8 | 121.2 | -105.6 | 57.6 | 0 | 0 | 0 | 113.9 | |||||
| 368 | K | 41 | Very low | 41 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | 34.1 | 120.9 | 143.3 | -66.9 | -176.1 | -177.3 | 168.7 | 0 | 122.4 | ||||
| 369 | H | 37.5 | Very low | 40.4 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | trans | -7.9 | 123.8 | 132.8 | -99.4 | 136.7 | 0 | 0 | 0 | 116.6 | ||||
| 370 | Q | 37.7 | Very low | 39.9 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | -156.6 | 159.3 | 123.9 | -136.3 | 168.6 | -3.1 | 0 | 0 | 112.2 | |||||
| 371 | H | 41.4 | Very low | 39.3 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 65% | 0.653 | 80% | 0.796 | S | S | * | * | trans | -89.9 | 154.1 | -148.4 | -98.3 | -97.3 | 0 | 0 | 0 | 115.7 | ||||
| 372 | I | 43.4 | Very low | 38.9 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 69.3 | 124.3 | 135.3 | -63.3 | 162.9 | 0 | 0 | 0 | 119.2 | ||||
| 373 | G | 45 | Very low | 38.3 | Very low | 72 Ų | 72 | 142.1 Ų | 142.1 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 169.1 | 89.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 374 | N | 41.9 | Very low | 37.7 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -41.2 | 153.3 | 170.7 | -66.7 | -43.9 | 0 | 0 | 0 | 113.1 | ||||
| 375 | V | 45.4 | Very low | 37.5 | Very low | 147 Ų | 147 | 144 Ų | 144 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | -171 | 141.2 | 56.3 | 172.5 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 376 | G | 46 | Very low | 37.1 | Very low | 72 Ų | 72 | 143.3 Ų | 143.3 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 151.4 | 69.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 377 | Q | 39.5 | Very low | 36.8 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | 17.6 | 120 | 151.7 | -65.1 | 178 | -24 | 0 | 0 | 120.9 | ||||
| 378 | A | 36 | Very low | 36.8 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | -169.7 | 114.6 | 126.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 379 | T | 32 | Very low | 36.7 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 31.9 | 114.4 | 146.6 | 52.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 380 | V | 34.6 | Very low | 36.8 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | -154.6 | 127.6 | 122.3 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | N382 | V380-N382 PolarHBondContact O-N 3.36Š| |||
| 381 | L | 29 | Very low | 37 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -63.3 | 118.2 | 171.5 | -118.9 | 91.6 | 0 | 0 | 0 | 110 | V383 | L381-V383 HydrophobicContact CD2-CG2 4.14Š| ||
| 382 | N | 29.7 | Very low | 36.9 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -102.9 | 114.6 | 160.4 | -91.3 | -36.4 | 0 | 0 | 0 | 108 | V380 | V380-N382 PolarHBondContact O-N 3.36Š| ||
| 383 | V | 30.3 | Very low | 36.4 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -100.4 | 100.9 | 164.9 | -179.7 | 0 | 0 | 0 | 0 | 107.2 | L381 | L381-V383 HydrophobicContact CD2-CG2 4.14Š| ||
| 384 | C | 27.4 | Very low | 35.9 | Very low | 120 Ų | 120 | 138 Ų | 138 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -85.5 | 125.6 | 159.5 | -77.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 385 | C | 31.7 | Very low | 35.3 | Very low | 118 Ų | 118 | 138 Ų | 138 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -126.9 | 125.1 | 160 | -83.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 386 | H | 33 | Very low | 35 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | trans | -55.5 | 138.8 | 177.3 | -106.5 | -101.4 | 0 | 0 | 0 | 113.5 | ||||
| 387 | I | 34.4 | Very low | 34.8 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | trans | -83.1 | 111.6 | 162.2 | -64.4 | 172.5 | 0 | 0 | 0 | 107.7 | ||||
| 388 | G | 36.3 | Very low | 34.6 | Very low | 67 Ų | 67 | 144.6 Ų | 144.6 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | -136.8 | 102.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 389 | K | 37.5 | Very low | 34.5 | Very low | 206 Ų | 206 | 147.3 Ų | 147.3 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | trans | 50.6 | 152.1 | 154.5 | -79.2 | -174.2 | -179.2 | 179 | 0 | 121.9 | ||||
| 390 | P | 39.7 | Very low | 34.6 | Very low | 100 Ų | 100 | 148.2 Ų | 148.2 | 65% | 0.649 | 82% | 0.822 | S | S | * | * | trans | -94.6 | 167.1 | -155.1 | 38.4 | -33.3 | 0 | 0 | 0 | 113.2 | ||||
| 391 | N | 41.9 | Very low | 34.6 | Very low | 152 Ų | 152 | 148.9 Ų | 148.9 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | trans | 113.6 | 125.2 | 160.2 | -54.2 | -30.7 | 0 | 0 | 0 | 115.5 | ||||
| 392 | S | 40.9 | Very low | 35 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | 98.5 | 89.9 | 168.2 | 77 | 0 | 0 | 0 | 0 | 119 | ||||
| 393 | V | 32.1 | Very low | 35.4 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | 8 | 128.7 | 126.7 | -162.5 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 394 | Q | 35.5 | Very low | 35.7 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 74% | 0.743 | 83% | 0.829 | S | S | * | * | 178.1 | 133.9 | 110.2 | -91.2 | -177.7 | 8.2 | 0 | 0 | 111.6 | F396 | Q394-F396 HydrophobicContact CB-CE2 4.31Š| |||
| 395 | I | 28.3 | Very low | 36.4 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 80% | 0.8 | 83% | 0.831 | S | S | * | * | trans | -89.6 | 139.3 | 173 | -62 | 168.5 | 0 | 0 | 0 | 107.7 | ||||
| 396 | F | 39.7 | Very low | 36.8 | Very low | 170 Ų | 170 | 155.5 Ų | 155.5 | 75% | 0.746 | 83% | 0.834 | S | S | * | * | trans | -136.8 | 117.1 | 156.1 | -79.8 | -81.5 | 0 | 0 | 0 | 111.5 | Q394 | Q394-F396 HydrophobicContact CB-CE2 4.31Š| ||
| 397 | L | 41.8 | Very low | 37.1 | Very low | 240 Ų | 240 | 152.3 Ų | 152.3 | 100% | 1.257 | 83% | 0.829 | S | S | * | * | trans | 66.3 | 0 | 165.6 | -68.6 | 159.9 | 0 | 0 | 0 | 118.8 |
Retrieved 397 of 397 residues in 431.3 ms
(Link to these results)