| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.3 | Very low | 36.6 | Very low | 248 Ų | 248 | 144.8 Ų | 144.8 | 100% | 1.222 | 82% | 0.816 | S | S | * | * | 0 | 109.3 | 0 | -106.7 | 148.2 | 156.5 | 0 | 0 | 108.1 | |||||
| 2 | V | 42.5 | Very low | 37.3 | Very low | 135 Ų | 135 | 146.8 Ų | 146.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -90.2 | 148 | 167.3 | -178.4 | 0 | 0 | 0 | 0 | 105 | ||||
| 3 | P | 46.1 | Very low | 37.9 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | cis | -140.1 | 170.2 | 48.9 | 25.1 | 2 | 0 | 0 | 0 | 113.8 | ||||
| 4 | G | 31.7 | Very low | 38.4 | Very low | 65 Ų | 65 | 142.9 Ų | 142.9 | 67% | 0.67 | 82% | 0.818 | S | S | * | * | cis | 120.7 | 134.9 | 28.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 5 | V | 32.3 | Very low | 39.3 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 79% | 0.788 | 82% | 0.816 | S | S | * | * | trans | 167.7 | 100.9 | 147.1 | 159.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 6 | R | 33.6 | Very low | 39.9 | Very low | 228 Ų | 228 | 141.9 Ų | 141.9 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | 86.8 | 93.6 | 102.8 | -64.9 | -172.6 | -178.1 | -167 | -0.3 | 116.4 | |||||
| 7 | I | 37.2 | Very low | 40.4 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | 25.7 | 123.3 | 111.9 | -67.8 | 176 | 0 | 0 | 0 | 120 | |||||
| 8 | L | 35.3 | Very low | 40.3 | Very low | 157 Ų | 157 | 150 Ų | 150 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | 70.5 | 119.9 | 143.6 | -97.4 | 83.8 | 0 | 0 | 0 | 124 | ||||
| 9 | S | 33.8 | Very low | 39.9 | Very low | 106 Ų | 106 | 152.9 Ų | 152.9 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | 87.7 | 130.6 | 116 | -156 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 10 | S | 35.6 | Very low | 39.8 | Very low | 94 Ų | 94 | 151.2 Ų | 151.2 | 66% | 0.657 | 82% | 0.816 | S | S | * | * | trans | 106.4 | 97.6 | 136.5 | -149.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 11 | L | 39.9 | Very low | 39.7 | Very low | 149 Ų | 149 | 151 Ų | 151 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | 60.9 | 121.6 | 125.5 | -72.9 | 155.9 | 0 | 0 | 0 | 120.6 | |||||
| 12 | L | 44.1 | Very low | 39.8 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | 108.1 | 107.3 | 130.2 | -125.1 | 84.7 | 0 | 0 | 0 | 116.1 | ||||
| 13 | G | 45.1 | Very low | 39.7 | Very low | 67 Ų | 67 | 143.5 Ų | 143.5 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 142 | 77.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 14 | L | 45.3 | Very low | 39.5 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | 171.1 | 96.7 | 121.4 | -104.6 | 116.8 | 0 | 0 | 0 | 108.3 | M16 | L14-M16 PolarHBondContact O-N 3.35Š| |||
| 15 | V | 51.8 | Low | 39.6 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -55.7 | 126.6 | 151.2 | 175.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 16 | M | 49.8 | Very low | 39.9 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | 146.4 | 130 | 146 | -75 | -62.1 | -87.1 | 0 | 0 | 109.8 | L14 | L14-M16 PolarHBondContact O-N 3.35Š| ||
| 17 | F | 47 | Very low | 40.1 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 99.3 | 36.6 | 161.4 | -66 | -75.6 | 0 | 0 | 0 | 121.9 | ||
| 18 | W | 38.8 | Very low | 40.7 | Very low | 255 Ų | 255 | 145.2 Ų | 145.2 | 97% | 0.966 | 77% | 0.77 | S | S | * | * | trans | -140.8 | 66.4 | 150.8 | -75.3 | 77.1 | 0 | 0 | 0 | 111.5 | ||||
| 19 | F | 33.5 | Very low | 41.7 | Very low | 206 Ų | 206 | 143.5 Ų | 143.5 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | -115.7 | 109.7 | 150.8 | -83.3 | -80 | 0 | 0 | 0 | 106.3 | L21 | F19-L21 PolarHBondContact O-N 2.79Å; F19-L21 VanDerWaalsContact O-N 3.13Å | ||
| 20 | P | 36.8 | Very low | 43.1 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | -63.7 | 119.5 | 158.5 | 28.8 | -26.8 | 0 | 0 | 0 | 105 | D22 | P20-D22 VanDerWaalsContact C-N 3.3Å; P20-D22 PolarHBondContact O-N 3.33Å | ||
| 21 | L | 39.3 | Very low | 45.1 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | trans | -45.1 | 97.1 | 167.6 | -170.2 | 69.9 | 0 | 0 | 0 | 107.6 | F19 S23 | F19-L21 PolarHBondContact O-N 2.79Å; F19-L21 VanDerWaalsContact O-N 3.13Å; L21-S23 PolarHBondContact O-N 2.03Å; L21-S23 PolarHBondContact O-OG 3.4Å | ||
| 22 | D | 36 | Very low | 47.2 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | -64.2 | 86.3 | 163.5 | -167.8 | 14.8 | 0 | 0 | 0 | 104.6 | P20 Q24 | P20-D22 VanDerWaalsContact C-N 3.3Å; P20-D22 PolarHBondContact O-N 3.33Å; D22-Q24 PolarHBondContact O-N 3.03Å | ||
| 23 | S | 40.6 | Very low | 49.3 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 60% | 0.601 | 70% | 0.696 | S | S | * | * | trans | -67.5 | 78.3 | 164.4 | -58.1 | 0 | 0 | 0 | 0 | 103.6 | L21 A25 | L21-S23 PolarHBondContact O-N 2.03Å; L21-S23 PolarHBondContact O-OG 3.4Å; S23-A25 PolarHBondContact O-N 3.5Å | ||
| 24 | Q | 42.7 | Very low | 51.3 | Low | 131 Ų | 131 | 133.2 Ų | 133.2 | 61% | 0.612 | 69% | 0.693 | S | S | * | * | trans | -61.3 | 80.4 | 156.6 | -167 | 176.5 | 74.6 | 0 | 0 | 104.2 | D22 R26 | D22-Q24 PolarHBondContact O-N 3.03Å; Q24-R26 PolarHBondContact O-N 3Å | ||
| 25 | A | 33.8 | Very low | 53.1 | Low | 88 Ų | 88 | 127.7 Ų | 127.7 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | trans | -54.1 | 92.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 102.5 | S23 A27 | S23-A25 PolarHBondContact O-N 3.5Å; A25-A27 PolarHBondContact O-N 2.93Å | ||
| 26 | R | 38.6 | Very low | 54.6 | Low | 206 Ų | 206 | 125 Ų | 125 | 78% | 0.777 | 66% | 0.66 | S | S | * | * | trans | -59.3 | 91.6 | 169.9 | -167.5 | 160.4 | -70.8 | 177.3 | -1.4 | 102.9 | Q24 R28 | Q24-R26 PolarHBondContact O-N 3Å; R26-R28 VanDerWaalsContact C-N 3.29Å; R26-R28 PolarHBondContact O-N 2.94Å | ||
| 27 | A | 36.4 | Very low | 56 | Low | 89 Ų | 89 | 128.2 Ų | 128.2 | 74% | 0.736 | 67% | 0.673 | S | S | * | * | trans | -55.8 | 106.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 103.6 | A25 | A25-A27 PolarHBondContact O-N 2.93Š| ||
| 28 | R | 49.9 | Very low | 57.7 | Low | 226 Ų | 226 | 126.3 Ų | 126.3 | 85% | 0.853 | 67% | 0.665 | S | S | * | * | trans | -45 | 128.3 | 172.9 | -136.5 | -176.8 | -69.8 | -132.3 | 1.9 | 105 | R26 G30 | R26-R28 VanDerWaalsContact C-N 3.29Å; R26-R28 PolarHBondContact O-N 2.94Å; R28-G30 PolarHBondContact O-N 3.18Å | ||
| 29 | P | 56.9 | Low | 59.9 | Low | 121 Ų | 121 | 119.8 Ų | 119.8 | 79% | 0.786 | 65% | 0.647 | S | S | * | * | trans | -54.2 | 107.8 | 179.5 | 19.2 | -29.2 | 0 | 0 | 0 | 106.8 | K31 | P29-K31 PolarHBondContact O-N 3.29Š| ||
| 30 | G | 63.2 | Low | 62.4 | Low | 55 Ų | 55 | 111 Ų | 111 | 57% | 0.567 | 61% | 0.609 | S | S | * | * | trans | -60.3 | 123.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | R28 V32 | R28-G30 PolarHBondContact O-N 3.18Å; G30-V32 PolarHBondContact O-N 2.65Å | ||
| 31 | K | 77.4 | Confident | 64.9 | Low | 123 Ų | 123 | 109.3 Ų | 109.3 | 54% | 0.535 | 60% | 0.596 | S | S | . | * | trans | -66.6 | 101.5 | 177.8 | -64.4 | -170.3 | 179.8 | -172.3 | 0 | 107.3 | P29 P42 I66 | P29-K31 PolarHBondContact O-N 3.29Å; K31-P42 WeakPolarHBondContact O-CD 3.05Å; K31-P42 WeakPolarHBondContact O-CG 3.39Å; K31-I66 VanDerWaalsContact CD-O 3.27Å; K31-I66 WeakPolarHBondContact CD-O 3.49Å | ||
| 32 | V | 85.2 | Confident | 67.3 | Low | 69 Ų | 69 | 104.1 Ų | 104.1 | 42% | 0.418 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -90.9 | 149.7 | 178 | -67.6 | 0 | 0 | 0 | 0 | 110 | G30 I39 Y40 | G30-V32 PolarHBondContact O-N 2.65Å; V32-I39 HydrophobicContact CB-CG2 3.68Å; V32-I39 HydrophobicContact CG1-CG2 4.11Å; V32-I39 HydrophobicContact CG2-CG2 3.77Å; V32-Y40 CarbonylContact C-O 3.58Å; V32-Y40 WeakPolarHBondContact CA-O 3.05Å; V32-Y40 WeakPolarHBondContact CB-O 3.49Å |
| 33 | C | 86.8 | Confident | 69.7 | Low | 1 Ų | 1 | 100.1 Ų | 100.1 | 1% | 0.007 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.1 | 136.1 | 173.3 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | Y40 C63 G67 H68 V69 | C33-Y40 PolarHBondContact N-O 2.71Å; C33-Y40 PolarHBondContact O-N 2.04Å; C33-C63 HydrophobicContact CB-CB 3.68Å; C33-C63 WeakPolarHBondContact CB-SG 3.11Å; C33-C63 PolarHBondContact N-SG 2.91Å; C33-C63 VanDerWaalsContact N-SG 3.44Å; C33-C63 WeakPolarHBondContact SG-CA 2.96Å; C33-C63 WeakPolarHBondContact SG-CB 2.99Å; C33-C63 CovalentContact SG-SG 2.03Å; C33-C63 PolarHBondContact SG-SG 2.82Å; C33-G67 PolarHBondContact SG-O 3.2Å; C33-H68 VanDerWaalsContact SG-C 3.55Å; C33-V69 HydrophobicContact CB-CG2 3.64Å |
| 34 | L | 87.4 | Confident | 71.8 | Confident | 120 Ų | 120 | 99.9 Ų | 99.9 | 63% | 0.628 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 127.7 | 172.5 | -60.5 | 175.5 | 0 | 0 | 0 | 108.9 | I39 | L34-I39 HydrophobicContact CD2-CB 4.11Å; L34-I39 HydrophobicContact CD2-CD1 4.13Å; L34-I39 HydrophobicContact CD2-CG1 3.58Å; L34-I39 HydrophobicContact CD2-CG2 4.07Å |
| 35 | F | 83 | Confident | 74 | Confident | 56 Ų | 56 | 96.4 Ų | 96.4 | 25% | 0.246 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 109.6 | 174.8 | -174 | -87 | 0 | 0 | 0 | 109.4 | K38 Y40 W46 P48 V69 | F35-K38 PolarHBondContact N-O 3.34Å; F35-K38 PolarHBondContact O-N 2.83Å; F35-Y40 HydrophobicContact CB-CD2 4.16Å; F35-Y40 HydrophobicContact CB-CE2 3.8Å; F35-W46 HydrophobicContact CB-CZ2 3.69Å; F35-W46 AromaticContact CD1-NE1 3.58Å; F35-W46 HydrophobicContact CD2-CZ2 4.33Å; F35-W46 AromaticContact CG-CZ2 3.93Å; F35-W46 HydrophobicContact CG-CZ2 3.93Å; F35-W46 AromaticContact CG-NE1 3.87Å; F35-P48 HydrophobicContact CD1-CB 4.5Å; F35-P48 HydrophobicContact CE1-CB 3.39Å; F35-P48 HydrophobicContact CZ-CB 3.45Å; F35-P48 VanDerWaalsContact CZ-CB 3.45Å; F35-V69 HydrophobicContact CB-CG2 4.32Å; F35-V69 HydrophobicContact CD2-CG1 3.99Å; F35-V69 HydrophobicContact CD2-CG2 4.46Å |
| 36 | G | 82.9 | Confident | 76.7 | Confident | 74 Ų | 74 | 93.2 Ų | 93.2 | 76% | 0.763 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | -134 | -164.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K38 | G36-K38 VanDerWaalsContact C-N 3.31Š|
| 37 | E | 80.8 | Confident | 79 | Confident | 208 Ų | 208 | 86.8 Ų | 86.8 | 97% | 0.972 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 9.7 | 175.9 | -58.9 | -172.7 | 145.5 | 0 | 0 | 113.7 | ||
| 38 | K | 81.3 | Confident | 81.5 | Confident | 134 Ų | 134 | 82.8 Ų | 82.8 | 58% | 0.583 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 140.2 | -174.1 | -67.5 | -179.3 | -178.3 | 176.3 | 0 | 112.2 | F35 G36 Y40 | F35-K38 PolarHBondContact N-O 3.34Å; F35-K38 PolarHBondContact O-N 2.83Å; G36-K38 VanDerWaalsContact C-N 3.31Å; K38-Y40 HydrophobicContact CB-CD2 4.46Å; K38-Y40 HydrophobicContact CB-CE2 3.57Å |
| 39 | I | 86.2 | Confident | 83.1 | Confident | 117 Ų | 117 | 78.4 Ų | 78.4 | 60% | 0.6 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132 | 177.8 | -45.7 | -171.1 | 0 | 0 | 0 | 109.1 | V32 L34 | V32-I39 HydrophobicContact CB-CG2 3.68Å; V32-I39 HydrophobicContact CG1-CG2 4.11Å; V32-I39 HydrophobicContact CG2-CG2 3.77Å; L34-I39 HydrophobicContact CD2-CB 4.11Å; L34-I39 HydrophobicContact CD2-CD1 4.13Å; L34-I39 HydrophobicContact CD2-CG1 3.58Å; L34-I39 HydrophobicContact CD2-CG2 4.07Å |
| 40 | Y | 84.4 | Confident | 84.1 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 9% | 0.086 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.6 | -178.3 | -62.2 | -89.7 | 0 | 0 | 0 | 111 | V32 C33 F35 K38 Q44 W46 | V32-Y40 CarbonylContact C-O 3.58Å; V32-Y40 WeakPolarHBondContact CA-O 3.05Å; V32-Y40 WeakPolarHBondContact CB-O 3.49Å; C33-Y40 PolarHBondContact N-O 2.71Å; C33-Y40 PolarHBondContact O-N 2.04Å; F35-Y40 HydrophobicContact CB-CD2 4.16Å; F35-Y40 HydrophobicContact CB-CE2 3.8Å; K38-Y40 HydrophobicContact CB-CD2 4.46Å; K38-Y40 HydrophobicContact CB-CE2 3.57Å; Y40-Q44 VanDerWaalsContact CA-OE1 3.26Å; Y40-Q44 HydrophobicContact CD1-CG 4.13Å; Y40-W46 AromaticContact CD1-CD2 3.54Å; Y40-W46 HydrophobicContact CD1-CD2 3.54Å; Y40-W46 AromaticContact CD1-CE3 3.25Å; Y40-W46 HydrophobicContact CD1-CE3 3.25Å; Y40-W46 HydrophobicContact CD1-CG 4.12Å; Y40-W46 HydrophobicContact CD1-CH2 4.16Å; Y40-W46 HydrophobicContact CD1-CZ2 4.4Å; Y40-W46 AromaticContact CD1-CZ3 3.59Å; Y40-W46 HydrophobicContact CD1-CZ3 3.59Å; Y40-W46 HydrophobicContact CD2-CD2 4.3Å; Y40-W46 HydrophobicContact CD2-CE3 4.33Å; Y40-W46 AromaticContact CD2-CH2 3.82Å; Y40-W46 HydrophobicContact CD2-CH2 3.82Å; Y40-W46 AromaticContact CD2-CZ2 3.78Å; Y40-W46 HydrophobicContact CD2-CZ2 3.78Å; Y40-W46 HydrophobicContact CD2-CZ3 4.09Å; Y40-W46 HydrophobicContact CE1-CB 3.78Å; Y40-W46 AromaticContact CE1-CD1 3.91Å; Y40-W46 AromaticContact CE1-CD2 3.27Å; Y40-W46 HydrophobicContact CE1-CD2 3.27Å; Y40-W46 AromaticContact CE1-CE2 3.8Å; Y40-W46 AromaticContact CE1-CE3 3.53Å; Y40-W46 HydrophobicContact CE1-CE3 3.53Å; Y40-W46 AromaticContact CE1-CG 3.39Å; Y40-W46 HydrophobicContact CE1-CG 3.39Å; Y40-W46 HydrophobicContact CE1-CZ2 4.48Å; Y40-W46 HydrophobicContact CE1-CZ3 4.22Å; Y40-W46 HydrophobicContact CE2-CD2 4.1Å; Y40-W46 AromaticContact CE2-CE2 3.71Å; Y40-W46 HydrophobicContact CE2-CH2 4.37Å; Y40-W46 AromaticContact CE2-CZ2 3.88Å; Y40-W46 HydrophobicContact CE2-CZ2 3.88Å; Y40-W46 AromaticContact CE2-NE1 3.95Å; Y40-W46 HydrophobicContact CG-CD2 4.05Å; Y40-W46 AromaticContact CG-CE3 3.69Å; Y40-W46 HydrophobicContact CG-CE3 3.69Å; Y40-W46 AromaticContact CG-CH2 3.71Å; Y40-W46 HydrophobicContact CG-CH2 3.71Å; Y40-W46 HydrophobicContact CG-CZ2 4.06Å; Y40-W46 AromaticContact CG-CZ3 3.5Å; Y40-W46 HydrophobicContact CG-CZ3 3.5Å; Y40-W46 AromaticContact CZ-CD1 3.65Å; Y40-W46 AromaticContact CZ-CD2 3.57Å; Y40-W46 AromaticContact CZ-CE2 3.58Å; Y40-W46 AromaticContact CZ-CG 3.63Å; Y40-W46 AromaticContact CZ-NE1 3.61Å |
| 41 | T | 90 | Very high | 84.4 | Confident | 81 Ų | 81 | 81.4 Ų | 81.4 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | trans | -82.5 | 153.7 | 174.6 | 54.4 | 0 | 0 | 0 | 0 | 111 | G43 Q44 C63 | T41-G43 PolarHBondContact O-N 3.22Å; T41-Q44 WeakPolarHBondContact O-CB 3.31Å; T41-Q44 PolarHBondContact O-N 2.05Å; T41-Q44 PolarHBondContact OG1-OE1 3.45Å; T41-C63 VanDerWaalsContact O-CB 3.25Å; T41-C63 WeakPolarHBondContact O-CB 3.41Å | ||
| 42 | P | 90.3 | Very high | 83.8 | Confident | 41 Ų | 41 | 81.3 Ų | 81.3 | 27% | 0.266 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 137.1 | 171.1 | -32.2 | 38.6 | 0 | 0 | 0 | 113.2 | K31 Q44 E65 | K31-P42 WeakPolarHBondContact O-CD 3.05Å; K31-P42 WeakPolarHBondContact O-CG 3.39Å; P42-Q44 PolarHBondContact O-N 3.03Å; P42-E65 WeakPolarHBondContact CB-OE2 3.34Å |
| 43 | G | 85.6 | Confident | 82.7 | Confident | 55 Ų | 55 | 85 Ų | 85 | 57% | 0.567 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -14.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T41 C63 | T41-G43 PolarHBondContact O-N 3.22Å; G43-C63 PolarHBondContact N-O 3.35Å |
| 44 | Q | 85.4 | Confident | 82.3 | Confident | 80 Ų | 80 | 85.7 Ų | 85.7 | 37% | 0.374 | 46% | 0.464 | S | S | . | . | trans | -69.1 | 134.9 | 179.4 | -164 | 176.1 | 2.4 | 0 | 0 | 111 | Y40 T41 P42 W46 T62 C63 | Y40-Q44 VanDerWaalsContact CA-OE1 3.26Å; Y40-Q44 HydrophobicContact CD1-CG 4.13Å; T41-Q44 WeakPolarHBondContact O-CB 3.31Å; T41-Q44 PolarHBondContact O-N 2.05Å; T41-Q44 PolarHBondContact OG1-OE1 3.45Å; P42-Q44 PolarHBondContact O-N 3.03Å; Q44-W46 WeakPolarHBondContact O-CZ3 2.98Å; Q44-T62 CarbonylContact O-C 3.6Å; Q44-T62 WeakPolarHBondContact O-CA 3.24Å; Q44-C63 PolarHBondContact O-N 2.91Å | ||
| 45 | S | 88.9 | Confident | 81.8 | Confident | 59 Ų | 59 | 82.5 Ų | 82.5 | 41% | 0.413 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139.5 | 177.7 | 77 | 0 | 0 | 0 | 0 | 112.1 | C61 | S45-C61 CarbonylContact C-O 3.54Å; S45-C61 WeakPolarHBondContact CA-O 3.08Å |
| 46 | W | 90.9 | Very high | 81.8 | Confident | 21 Ų | 21 | 81.9 Ų | 81.9 | 8% | 0.08 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 167.4 | -178.5 | 68.5 | 99.8 | 0 | 0 | 0 | 113.1 | F35 Y40 Q44 C61 C63 V69 | F35-W46 HydrophobicContact CB-CZ2 3.69Å; F35-W46 AromaticContact CD1-NE1 3.58Å; F35-W46 HydrophobicContact CD2-CZ2 4.33Å; F35-W46 AromaticContact CG-CZ2 3.93Å; F35-W46 HydrophobicContact CG-CZ2 3.93Å; F35-W46 AromaticContact CG-NE1 3.87Å; Y40-W46 AromaticContact CD1-CD2 3.54Å; Y40-W46 HydrophobicContact CD1-CD2 3.54Å; Y40-W46 AromaticContact CD1-CE3 3.25Å; Y40-W46 HydrophobicContact CD1-CE3 3.25Å; Y40-W46 HydrophobicContact CD1-CG 4.12Å; Y40-W46 HydrophobicContact CD1-CH2 4.16Å; Y40-W46 HydrophobicContact CD1-CZ2 4.4Å; Y40-W46 AromaticContact CD1-CZ3 3.59Å; Y40-W46 HydrophobicContact CD1-CZ3 3.59Å; Y40-W46 HydrophobicContact CD2-CD2 4.3Å; Y40-W46 HydrophobicContact CD2-CE3 4.33Å; Y40-W46 AromaticContact CD2-CH2 3.82Å; Y40-W46 HydrophobicContact CD2-CH2 3.82Å; Y40-W46 AromaticContact CD2-CZ2 3.78Å; Y40-W46 HydrophobicContact CD2-CZ2 3.78Å; Y40-W46 HydrophobicContact CD2-CZ3 4.09Å; Y40-W46 HydrophobicContact CE1-CB 3.78Å; Y40-W46 AromaticContact CE1-CD1 3.91Å; Y40-W46 AromaticContact CE1-CD2 3.27Å; Y40-W46 HydrophobicContact CE1-CD2 3.27Å; Y40-W46 AromaticContact CE1-CE2 3.8Å; Y40-W46 AromaticContact CE1-CE3 3.53Å; Y40-W46 HydrophobicContact CE1-CE3 3.53Å; Y40-W46 AromaticContact CE1-CG 3.39Å; Y40-W46 HydrophobicContact CE1-CG 3.39Å; Y40-W46 HydrophobicContact CE1-CZ2 4.48Å; Y40-W46 HydrophobicContact CE1-CZ3 4.22Å; Y40-W46 HydrophobicContact CE2-CD2 4.1Å; Y40-W46 AromaticContact CE2-CE2 3.71Å; Y40-W46 HydrophobicContact CE2-CH2 4.37Å; Y40-W46 AromaticContact CE2-CZ2 3.88Å; Y40-W46 HydrophobicContact CE2-CZ2 3.88Å; Y40-W46 AromaticContact CE2-NE1 3.95Å; Y40-W46 HydrophobicContact CG-CD2 4.05Å; Y40-W46 AromaticContact CG-CE3 3.69Å; Y40-W46 HydrophobicContact CG-CE3 3.69Å; Y40-W46 AromaticContact CG-CH2 3.71Å; Y40-W46 HydrophobicContact CG-CH2 3.71Å; Y40-W46 HydrophobicContact CG-CZ2 4.06Å; Y40-W46 AromaticContact CG-CZ3 3.5Å; Y40-W46 HydrophobicContact CG-CZ3 3.5Å; Y40-W46 AromaticContact CZ-CD1 3.65Å; Y40-W46 AromaticContact CZ-CD2 3.57Å; Y40-W46 AromaticContact CZ-CE2 3.58Å; Y40-W46 AromaticContact CZ-CG 3.63Å; Y40-W46 AromaticContact CZ-NE1 3.61Å; Q44-W46 WeakPolarHBondContact O-CZ3 2.98Å; W46-C61 HydrophobicContact CD2-CB 3.9Å; W46-C61 VanDerWaalsContact CE2-CB 3.48Å; W46-C61 HydrophobicContact CE3-CB 4.4Å; W46-C61 HydrophobicContact CG-CB 4.41Å; W46-C61 HydrophobicContact CH2-CB 4.19Å; W46-C61 HydrophobicContact CZ2-CB 3.64Å; W46-C61 PolarHBondContact N-O 3.37Å; W46-C61 PolarHBondContact O-N 3.25Å; W46-C63 HydrophobicContact CH2-CB 4.26Å; W46-C63 HydrophobicContact CZ3-CB 3.94Å; W46-V69 HydrophobicContact CH2-CB 4.42Å; W46-V69 HydrophobicContact CH2-CG1 3.78Å; W46-V69 HydrophobicContact CH2-CG2 4.01Å; W46-V69 HydrophobicContact CZ2-CB 4.5Å; W46-V69 HydrophobicContact CZ2-CG1 3.57Å; W46-V69 HydrophobicContact CZ2-CG2 4.12Å |
| 47 | H | 87 | Confident | 81.8 | Confident | 70 Ų | 70 | 81.6 Ų | 81.6 | 32% | 0.324 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -98.1 | 128.3 | 168.1 | -63.9 | -66.8 | 0 | 0 | 0 | 109.7 | T55 Y57 V59 | H47-T55 HydrophobicContact CB-CG2 3.72Å; H47-Y57 HydrophobicContact CB-CD1 4.5Å; H47-Y57 AromaticContact CD2-CD1 3.93Å; H47-Y57 PolarHBondContact CE1-O 3.41Å; H47-Y57 PolarHBondContact ND1-O 2.85Å; H47-Y57 VanDerWaalsContact ND1-O 3.14Å; H47-V59 PolarHBondContact ND1-O 3.17Å |
| 48 | P | 87.2 | Confident | 82.1 | Confident | 6 Ų | 6 | 73.5 Ų | 73.5 | 4% | 0.039 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 144 | -176.9 | 30.8 | -34.6 | 0 | 0 | 0 | 111.3 | F35 I56 V59 | F35-P48 HydrophobicContact CD1-CB 4.5Å; F35-P48 HydrophobicContact CE1-CB 3.39Å; F35-P48 HydrophobicContact CZ-CB 3.45Å; F35-P48 VanDerWaalsContact CZ-CB 3.45Å; P48-I56 PolarHBondContact O-N 3.5Å; P48-V59 WeakPolarHBondContact CD-O 3.49Å; P48-V59 HydrophobicContact CG-CB 3.95Å; P48-V59 HydrophobicContact CG-CG1 3.81Å |
| 49 | Y | 84.3 | Confident | 82.4 | Confident | 134 Ų | 134 | 68.9 Ų | 68.9 | 53% | 0.525 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 122.1 | 169.7 | 180 | -87.1 | 0 | 0 | 0 | 108.4 | ||
| 50 | L | 77.5 | Confident | 82.5 | Confident | 78 Ų | 78 | 68 Ų | 68 | 41% | 0.408 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.6 | 177.7 | -60.1 | -177.4 | 0 | 0 | 0 | 109.1 | Q53 G54 I56 | L50-Q53 CarbonylContact O-C 3.55Å; L50-Q53 WeakPolarHBondContact O-CA 3.31Å; L50-Q53 PolarHBondContact O-N 2.77Å; L50-G54 PolarHBondContact N-O 3.18Å; L50-G54 PolarHBondContact O-N 3.44Å; L50-I56 HydrophobicContact CB-CD1 4.16Å; L50-I56 HydrophobicContact CD1-CD1 3.54Å; L50-I56 HydrophobicContact CG-CD1 3.97Å |
| 51 | E | 69.2 | Low | 82.7 | Confident | 161 Ų | 161 | 66.9 Ų | 66.9 | 75% | 0.752 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 137.6 | 178.3 | -151.2 | 166.5 | 140.9 | 0 | 0 | 110.2 | ||
| 52 | P | 64.7 | Low | 82.8 | Confident | 121 Ų | 121 | 64.5 Ų | 64.5 | 79% | 0.786 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.5 | 4.4 | 3.8 | 36.2 | -36.8 | 0 | 0 | 0 | 115.1 | G54 | P52-G54 PolarHBondContact O-N 2.71Š|
| 53 | Q | 62.6 | Low | 82.8 | Confident | 145 Ų | 145 | 62.7 Ų | 62.7 | 68% | 0.678 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -16.3 | -165.6 | -63.2 | 159.1 | 31 | 0 | 0 | 114.2 | L50 | L50-Q53 CarbonylContact O-C 3.55Å; L50-Q53 WeakPolarHBondContact O-CA 3.31Å; L50-Q53 PolarHBondContact O-N 2.77Å |
| 54 | G | 78.1 | Confident | 83 | Confident | 16 Ų | 16 | 62.1 Ų | 62.1 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 80 | -156.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | L50 P52 | L50-G54 PolarHBondContact N-O 3.18Å; L50-G54 PolarHBondContact O-N 3.44Å; P52-G54 PolarHBondContact O-N 2.71Å |
| 55 | T | 78.3 | Confident | 83 | Confident | 53 Ų | 53 | 65.2 Ų | 65.2 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 123.7 | -179.6 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | H47 Y57 | H47-T55 HydrophobicContact CB-CG2 3.72Å; T55-Y57 HydrophobicContact CG2-CD1 4.26Å; T55-Y57 HydrophobicContact CG2-CE1 3.8Å; T55-Y57 HydrophobicContact CG2-CE2 4.09Å; T55-Y57 WeakPolarHBondContact O-CD2 3.02Å; T55-Y57 WeakPolarHBondContact O-CE2 3.33Å; T55-Y57 PolarHBondContact O-N 2.97Å |
| 56 | I | 81.6 | Confident | 82.8 | Confident | 43 Ų | 43 | 68.6 Ų | 68.6 | 22% | 0.221 | 34% | 0.344 | C | S | . | . | trans | -96.5 | 93.2 | -178.2 | -55.1 | 173.6 | 0 | 0 | 0 | 110.1 | P48 L50 C58 V59 | P48-I56 PolarHBondContact O-N 3.5Å; L50-I56 HydrophobicContact CB-CD1 4.16Å; L50-I56 HydrophobicContact CD1-CD1 3.54Å; L50-I56 HydrophobicContact CG-CD1 3.97Å; I56-C58 PolarHBondContact O-N 3.08Å; I56-C58 VanDerWaalsContact O-N 3.15Å; I56-V59 HydrophobicContact CG2-CB 4.32Å; I56-V59 HydrophobicContact CG2-CG2 3.92Å; I56-V59 PolarHBondContact O-N 2.84Å; I56-V59 VanDerWaalsContact O-N 3.16Å | ||
| 57 | Y | 84.1 | Confident | 82.3 | Confident | 69 Ų | 69 | 68.8 Ų | 68.8 | 27% | 0.271 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -18.2 | -177.3 | -61.5 | -79.9 | 0 | 0 | 0 | 114.3 | H47 T55 V59 Q89 C91 | H47-Y57 HydrophobicContact CB-CD1 4.5Å; H47-Y57 AromaticContact CD2-CD1 3.93Å; H47-Y57 PolarHBondContact CE1-O 3.41Å; H47-Y57 PolarHBondContact ND1-O 2.85Å; H47-Y57 VanDerWaalsContact ND1-O 3.14Å; T55-Y57 HydrophobicContact CG2-CD1 4.26Å; T55-Y57 HydrophobicContact CG2-CE1 3.8Å; T55-Y57 HydrophobicContact CG2-CE2 4.09Å; T55-Y57 WeakPolarHBondContact O-CD2 3.02Å; T55-Y57 WeakPolarHBondContact O-CE2 3.33Å; T55-Y57 PolarHBondContact O-N 2.97Å; Y57-V59 VanDerWaalsContact C-N 3.34Å; Y57-Q89 HydrophobicContact CD1-CB 4.16Å; Y57-Q89 WeakPolarHBondContact CD1-O 3.35Å; Y57-Q89 HydrophobicContact CE1-CB 3.61Å; Y57-Q89 HydrophobicContact CE1-CG 4.2Å; Y57-Q89 HydrophobicContact CE2-CB 4.25Å; Y57-Q89 HydrophobicContact CE2-CG 4.41Å; Y57-C91 WeakPolarHBondContact O-CB 3.14Å |
| 58 | C | 86.2 | Confident | 82.2 | Confident | 38 Ų | 38 | 71.6 Ų | 71.6 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1.4 | 176.6 | -75.6 | 0 | 0 | 0 | 0 | 115.6 | I56 R73 L74 C91 | I56-C58 PolarHBondContact O-N 3.08Å; I56-C58 VanDerWaalsContact O-N 3.15Å; C58-R73 WeakPolarHBondContact O-CA 3.34Å; C58-L74 PolarHBondContact O-N 2.04Å; C58-C91 WeakPolarHBondContact CA-SG 3.21Å; C58-C91 HydrophobicContact CB-CB 3.94Å; C58-C91 WeakPolarHBondContact CB-SG 3.49Å; C58-C91 WeakPolarHBondContact SG-CA 3.41Å; C58-C91 WeakPolarHBondContact SG-CB 3.31Å; C58-C91 PolarHBondContact SG-O 2.77Å; C58-C91 CovalentContact SG-SG 2.05Å; C58-C91 PolarHBondContact SG-SG 2.81Å |
| 59 | V | 87.1 | Confident | 82.3 | Confident | 37 Ų | 37 | 72.8 Ų | 72.8 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130 | 171.3 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | H47 P48 I56 Y57 C71 | H47-V59 PolarHBondContact ND1-O 3.17Å; P48-V59 WeakPolarHBondContact CD-O 3.49Å; P48-V59 HydrophobicContact CG-CB 3.95Å; P48-V59 HydrophobicContact CG-CG1 3.81Å; I56-V59 HydrophobicContact CG2-CB 4.32Å; I56-V59 HydrophobicContact CG2-CG2 3.92Å; I56-V59 PolarHBondContact O-N 2.84Å; I56-V59 VanDerWaalsContact O-N 3.16Å; Y57-V59 VanDerWaalsContact C-N 3.34Å; V59-C71 HydrophobicContact CG1-CB 4.12Å |
| 60 | R | 89.4 | Confident | 82.6 | Confident | 97 Ų | 97 | 70.4 Ų | 70.4 | 37% | 0.366 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.1 | 172.4 | -170.2 | 164.6 | 76.6 | 147.9 | -3.3 | 109 | C71 Y72 L74 | R60-C71 WeakPolarHBondContact O-CA 3.2Å; R60-Y72 HydrophobicContact CB-CE2 4.22Å; R60-Y72 PolarHBondContact N-O 2.94Å; R60-Y72 PolarHBondContact NE-OH 3.14Å; R60-Y72 PolarHBondContact NH2-OH 3.33Å; R60-Y72 PolarHBondContact O-N 3.48Å; R60-L74 HydrophobicContact CB-CD2 4.16Å; R60-L74 HydrophobicContact CB-CG 4.39Å |
| 61 | C | 88.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 142.3 | 173.6 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | S45 W46 V69 N70 C71 | S45-C61 CarbonylContact C-O 3.54Å; S45-C61 WeakPolarHBondContact CA-O 3.08Å; W46-C61 HydrophobicContact CD2-CB 3.9Å; W46-C61 VanDerWaalsContact CE2-CB 3.48Å; W46-C61 HydrophobicContact CE3-CB 4.4Å; W46-C61 HydrophobicContact CG-CB 4.41Å; W46-C61 HydrophobicContact CH2-CB 4.19Å; W46-C61 HydrophobicContact CZ2-CB 3.64Å; W46-C61 PolarHBondContact N-O 3.37Å; W46-C61 PolarHBondContact O-N 3.25Å; C61-V69 HydrophobicContact CB-CG1 4Å; C61-N70 CarbonylContact C-O 3.54Å; C61-N70 VanDerWaalsContact CA-O 3.32Å; C61-N70 WeakPolarHBondContact CA-O 3.08Å; C61-C71 HydrophobicContact CB-CB 4.12Å; C61-C71 WeakPolarHBondContact CB-SG 3.34Å; C61-C71 WeakPolarHBondContact SG-CB 3.05Å; C61-C71 CovalentContact SG-SG 2.04Å; C61-C71 PolarHBondContact SG-SG 3.47Å |
| 62 | T | 92.3 | Very high | 84.1 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 18% | 0.184 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.4 | 178.4 | 49.6 | 0 | 0 | 0 | 0 | 109.7 | Q44 T64 N70 | Q44-T62 CarbonylContact O-C 3.6Å; Q44-T62 WeakPolarHBondContact O-CA 3.24Å; T62-T64 PolarHBondContact O-N 3.28Å; T62-N70 PolarHBondContact N-O 3.46Å; T62-N70 PolarHBondContact O-N 3.4Å; T62-N70 PolarHBondContact OG1-O 2.95Å |
| 63 | C | 90.4 | Very high | 85.1 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.02 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 119.8 | 172.3 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | C33 T41 G43 Q44 W46 | C33-C63 HydrophobicContact CB-CB 3.68Å; C33-C63 WeakPolarHBondContact CB-SG 3.11Å; C33-C63 PolarHBondContact N-SG 2.91Å; C33-C63 VanDerWaalsContact N-SG 3.44Å; C33-C63 WeakPolarHBondContact SG-CA 2.96Å; C33-C63 WeakPolarHBondContact SG-CB 2.99Å; C33-C63 CovalentContact SG-SG 2.03Å; C33-C63 PolarHBondContact SG-SG 2.82Å; T41-C63 VanDerWaalsContact O-CB 3.25Å; T41-C63 WeakPolarHBondContact O-CB 3.41Å; G43-C63 PolarHBondContact N-O 3.35Å; Q44-C63 PolarHBondContact O-N 2.91Å; W46-C63 HydrophobicContact CH2-CB 4.26Å; W46-C63 HydrophobicContact CZ3-CB 3.94Å |
| 64 | T | 88.7 | Confident | 86 | Confident | 43 Ų | 43 | 65.2 Ų | 65.2 | 26% | 0.264 | 33% | 0.328 | S | S | . | . | trans | -77.9 | 158.3 | 178.1 | 59.6 | 0 | 0 | 0 | 0 | 111.1 | T62 I66 G67 H68 N70 | T62-T64 PolarHBondContact O-N 3.28Å; T64-I66 PolarHBondContact O-N 3.13Å; T64-G67 PolarHBondContact O-N 3.28Å; T64-H68 WeakPolarHBondContact CB-O 3.45Å; T64-H68 WeakPolarHBondContact CG2-O 3.4Å; T64-H68 PolarHBondContact N-O 3.29Å; T64-H68 WeakPolarHBondContact OG1-CA 3.06Å; T64-H68 WeakPolarHBondContact OG1-CB 3.42Å; T64-H68 PolarHBondContact OG1-N 2.89Å; T64-H68 PolarHBondContact OG1-O 3.03Å; T64-N70 HydrophobicContact CG2-CB 4.13Å | ||
| 65 | E | 86.1 | Confident | 86.4 | Confident | 145 Ų | 145 | 75.9 Ų | 75.9 | 68% | 0.678 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -17.7 | 174.1 | -61.2 | -59.7 | 149.5 | 0 | 0 | 113.9 | P42 | P42-E65 WeakPolarHBondContact CB-OE2 3.34Š|
| 66 | I | 83.6 | Confident | 86.5 | Confident | 130 Ų | 130 | 76 Ų | 76 | 67% | 0.667 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -2 | -179.4 | -42.8 | 176.6 | 0 | 0 | 0 | 111.2 | K31 T64 | K31-I66 VanDerWaalsContact CD-O 3.27Å; K31-I66 WeakPolarHBondContact CD-O 3.49Å; T64-I66 PolarHBondContact O-N 3.13Å |
| 67 | G | 80.5 | Confident | 86.5 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 26% | 0.258 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 84.5 | 16.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | C33 T64 | C33-G67 PolarHBondContact SG-O 3.2Å; T64-G67 PolarHBondContact O-N 3.28Å |
| 68 | H | 85.3 | Confident | 85.8 | Confident | 130 Ų | 130 | 86.2 Ų | 86.2 | 60% | 0.602 | 41% | 0.413 | S | S | * | . | trans | -101.5 | 138.6 | 177.3 | -169.7 | -87.2 | 0 | 0 | 0 | 111.6 | C33 T64 N70 | C33-H68 VanDerWaalsContact SG-C 3.55Å; T64-H68 WeakPolarHBondContact CB-O 3.45Å; T64-H68 WeakPolarHBondContact CG2-O 3.4Å; T64-H68 PolarHBondContact N-O 3.29Å; T64-H68 WeakPolarHBondContact OG1-CA 3.06Å; T64-H68 WeakPolarHBondContact OG1-CB 3.42Å; T64-H68 PolarHBondContact OG1-N 2.89Å; T64-H68 PolarHBondContact OG1-O 3.03Å; H68-N70 PolarHBondContact O-N 3.48Å | ||
| 69 | V | 90.7 | Very high | 85.1 | Confident | 31 Ų | 31 | 87.7 Ų | 87.7 | 19% | 0.188 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 116 | 173.6 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | C33 F35 W46 C61 C71 | C33-V69 HydrophobicContact CB-CG2 3.64Å; F35-V69 HydrophobicContact CB-CG2 4.32Å; F35-V69 HydrophobicContact CD2-CG1 3.99Å; F35-V69 HydrophobicContact CD2-CG2 4.46Å; W46-V69 HydrophobicContact CH2-CB 4.42Å; W46-V69 HydrophobicContact CH2-CG1 3.78Å; W46-V69 HydrophobicContact CH2-CG2 4.01Å; W46-V69 HydrophobicContact CZ2-CB 4.5Å; W46-V69 HydrophobicContact CZ2-CG1 3.57Å; W46-V69 HydrophobicContact CZ2-CG2 4.12Å; C61-V69 HydrophobicContact CB-CG1 4Å; V69-C71 VanDerWaalsContact CG1-SG 3.56Å |
| 70 | N | 90.2 | Very high | 84.1 | Confident | 83 Ų | 83 | 94.7 Ų | 94.7 | 44% | 0.444 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 115.2 | 172 | -176 | 19.5 | 0 | 0 | 0 | 109.9 | C61 T62 T64 H68 | C61-N70 CarbonylContact C-O 3.54Å; C61-N70 VanDerWaalsContact CA-O 3.32Å; C61-N70 WeakPolarHBondContact CA-O 3.08Å; T62-N70 PolarHBondContact N-O 3.46Å; T62-N70 PolarHBondContact O-N 3.4Å; T62-N70 PolarHBondContact OG1-O 2.95Å; T64-N70 HydrophobicContact CG2-CB 4.13Å; H68-N70 PolarHBondContact O-N 3.48Å |
| 71 | C | 90.9 | Very high | 83.2 | Confident | 54 Ų | 54 | 92.1 Ų | 92.1 | 37% | 0.365 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 138.1 | 178.6 | -58.1 | 0 | 0 | 0 | 0 | 111 | V59 R60 C61 V69 | V59-C71 HydrophobicContact CG1-CB 4.12Å; R60-C71 WeakPolarHBondContact O-CA 3.2Å; C61-C71 HydrophobicContact CB-CB 4.12Å; C61-C71 WeakPolarHBondContact CB-SG 3.34Å; C61-C71 WeakPolarHBondContact SG-CB 3.05Å; C61-C71 CovalentContact SG-SG 2.04Å; C61-C71 PolarHBondContact SG-SG 3.47Å; V69-C71 VanDerWaalsContact CG1-SG 3.56Å |
| 72 | Y | 85.9 | Confident | 82.1 | Confident | 85 Ų | 85 | 98.4 Ų | 98.4 | 33% | 0.333 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 155.2 | 175.1 | 54.4 | -86.8 | 0 | 0 | 0 | 111.1 | R60 L74 | R60-Y72 HydrophobicContact CB-CE2 4.22Å; R60-Y72 PolarHBondContact N-O 2.94Å; R60-Y72 PolarHBondContact NE-OH 3.14Å; R60-Y72 PolarHBondContact NH2-OH 3.33Å; R60-Y72 PolarHBondContact O-N 3.48Å; Y72-L74 HydrophobicContact CD2-CD2 4.4Å; Y72-L74 HydrophobicContact CE2-CD2 3.95Å |
| 73 | R | 86 | Confident | 80.3 | Confident | 204 Ų | 204 | 104.1 Ų | 104.1 | 77% | 0.77 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 131.5 | 178.5 | -163.7 | 176.9 | -169.9 | 171.9 | 4.3 | 110.3 | C58 | C58-R73 WeakPolarHBondContact O-CA 3.34Å |
| 74 | L | 83 | Confident | 79.4 | Confident | 54 Ų | 54 | 107.3 Ų | 107.3 | 28% | 0.283 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 131.4 | 172.1 | -60.4 | 177.9 | 0 | 0 | 0 | 109.3 | C58 R60 Y72 C91 | C58-L74 PolarHBondContact O-N 2.04Å; R60-L74 HydrophobicContact CB-CD2 4.16Å; R60-L74 HydrophobicContact CB-CG 4.39Å; Y72-L74 HydrophobicContact CD2-CD2 4.4Å; Y72-L74 HydrophobicContact CE2-CD2 3.95Å; L74-C91 HydrophobicContact CB-CB 4.5Å; L74-C91 HydrophobicContact CD1-CB 4.11Å |
| 75 | R | 84.8 | Confident | 78.8 | Confident | 239 Ų | 239 | 107.6 Ų | 107.6 | 90% | 0.902 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -100.8 | 130 | 172.7 | -68.4 | -168.1 | 179.1 | 112.1 | -1.7 | 109.1 | ||
| 76 | C | 81.6 | Confident | 77.9 | Confident | 55 Ų | 55 | 106 Ų | 106 | 37% | 0.372 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 141.6 | 179.7 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | C92 | C76-C92 WeakPolarHBondContact CA-SG 3.46Å; C76-C92 HydrophobicContact CB-CB 3.79Å; C76-C92 WeakPolarHBondContact CB-SG 2.95Å; C76-C92 WeakPolarHBondContact SG-CA 3.02Å; C76-C92 WeakPolarHBondContact SG-CB 2.72Å; C76-C92 CovalentContact SG-SG 2.05Å; C76-C92 PolarHBondContact SG-SG 2.95Å |
| 77 | P | 80.4 | Confident | 77.3 | Confident | 96 Ų | 96 | 104 Ų | 104 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 151.2 | 172.6 | 28.4 | -33.4 | 0 | 0 | 0 | 110.4 | L79 | P77-L79 PolarHBondContact O-N 3.14Š|
| 78 | R | 69.4 | Low | 76.7 | Confident | 232 Ų | 232 | 107.7 Ų | 107.7 | 88% | 0.875 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 125.6 | 175.9 | -67.7 | -170.9 | -179.8 | -178.7 | 1.1 | 109.8 | ||
| 79 | L | 72.4 | Confident | 76.2 | Confident | 69 Ų | 69 | 108.4 Ų | 108.4 | 36% | 0.361 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -99.3 | 139.1 | 176.8 | -58.7 | 179.1 | 0 | 0 | 0 | 110.3 | P77 P84 P93 | P77-L79 PolarHBondContact O-N 3.14Å; L79-P84 HydrophobicContact CD1-CB 4.19Å; L79-P93 HydrophobicContact CD1-CB 4.04Å; L79-P93 HydrophobicContact CD1-CG 3.91Å; L79-P93 WeakPolarHBondContact CD1-O 2.9Å |
| 80 | H | 65.7 | Low | 75.6 | Confident | 183 Ų | 183 | 112.2 Ų | 112.2 | 85% | 0.847 | 56% | 0.556 | S | S | * | * | trans | -111.8 | 56.5 | 177.3 | -59.7 | 94.1 | 0 | 0 | 0 | 110.1 | ||||
| 81 | C | 70.3 | Confident | 75.3 | Confident | 44 Ų | 44 | 108.9 Ų | 108.9 | 30% | 0.297 | 54% | 0.539 | S | S | . | . | trans | -132.4 | 151.4 | 178.3 | 60.2 | 0 | 0 | 0 | 0 | 111 | Q83 C95 | C81-Q83 VanDerWaalsContact C-N 3.34Å; C81-Q83 PolarHBondContact O-N 3.03Å; C81-C95 HydrophobicContact CB-CB 3.76Å; C81-C95 WeakPolarHBondContact CB-SG 3.44Å; C81-C95 WeakPolarHBondContact SG-CB 3.36Å; C81-C95 CovalentContact SG-SG 2.04Å; C81-C95 PolarHBondContact SG-SG 3.26Å | ||
| 82 | S | 65.2 | Low | 75 | Confident | 132 Ų | 132 | 108.1 Ų | 108.1 | 92% | 0.923 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -71.6 | -25.1 | -173 | 46.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 83 | Q | 55.4 | Low | 74.7 | Confident | 150 Ų | 150 | 106 Ų | 106 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | trans | -142.2 | 86.6 | -179.2 | -163.2 | 170.8 | -23.1 | 0 | 0 | 111.9 | C81 | C81-Q83 VanDerWaalsContact C-N 3.34Å; C81-Q83 PolarHBondContact O-N 3.03Å | ||
| 84 | P | 70.4 | Confident | 74.3 | Confident | 70 Ų | 70 | 100.4 Ų | 100.4 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 135.8 | 171.7 | 26.9 | -31.3 | 0 | 0 | 0 | 110.9 | L79 P93 | L79-P84 HydrophobicContact CD1-CB 4.19Å; P84-P93 HydrophobicContact CB-CB 3.87Å |
| 85 | V | 76.3 | Confident | 73.8 | Confident | 49 Ų | 49 | 100.3 Ų | 100.3 | 30% | 0.297 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.6 | 178.9 | 178 | 0 | 0 | 0 | 0 | 110.1 | P93 R94 V96 | V85-P93 WeakPolarHBondContact O-CA 3.3Å; V85-R94 PolarHBondContact N-O 2.8Å; V85-R94 PolarHBondContact O-N 3.24Å; V85-V96 HydrophobicContact CB-CG2 4.11Å; V85-V96 HydrophobicContact CG2-CG2 3.49Å; V85-V96 VanDerWaalsContact CG2-CG2 3.49Å |
| 86 | M | 67.9 | Low | 72.9 | Confident | 112 Ų | 112 | 93.3 Ų | 93.3 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -91.4 | 121.6 | 173.7 | -66.2 | -66.2 | -69 | 0 | 0 | 109.5 | P93 | M86-P93 HydrophobicContact SD-CB 3.59Å; M86-P93 VanDerWaalsContact SD-CB 3.59Å; M86-P93 HydrophobicContact SD-CG 4.05Å |
| 87 | E | 70.5 | Confident | 71.6 | Confident | 86 Ų | 86 | 96.1 Ų | 96.1 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 141.1 | 170.6 | -159 | 78.4 | -74.7 | 0 | 0 | 109.8 | Q89 Q90 R94 | E87-Q89 PolarHBondContact O-N 3.01Å; E87-Q90 HydrophobicContact CB-CB 4.16Å; E87-Q90 PolarHBondContact O-N 2.89Å; E87-R94 IonicContact OE1-CZ 2.64Å; E87-R94 IonicContact OE1-NH2 3.75Å; E87-R94 PolarHBondContact OE1-NH2 3.15Å; E87-R94 IonicContact OE2-CZ 2.66Å; E87-R94 IonicContact OE2-NE 2.73Å; E87-R94 PolarHBondContact OE2-NE 2.93Å; E87-R94 IonicContact OE2-NH1 2.85Å; E87-R94 PolarHBondContact OE2-NH1 2.8Å; E87-R94 IonicContact OE2-NH2 2.81Å; E87-R94 PolarHBondContact OE2-NH2 3.23Å |
| 88 | P | 67.5 | Low | 70.3 | Confident | 103 Ų | 103 | 97 Ų | 97 | 67% | 0.669 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 136.9 | 162.2 | -22.6 | 32.7 | 0 | 0 | 0 | 110.4 | ||
| 89 | Q | 76.1 | Confident | 69.4 | Low | 145 Ų | 145 | 92.9 Ų | 92.9 | 68% | 0.678 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 14.1 | 178.6 | -41.2 | -177.1 | 15.3 | 0 | 0 | 117.4 | Y57 E87 | Y57-Q89 HydrophobicContact CD1-CB 4.16Å; Y57-Q89 WeakPolarHBondContact CD1-O 3.35Å; Y57-Q89 HydrophobicContact CE1-CB 3.61Å; Y57-Q89 HydrophobicContact CE1-CG 4.2Å; Y57-Q89 HydrophobicContact CE2-CB 4.25Å; Y57-Q89 HydrophobicContact CE2-CG 4.41Å; E87-Q89 PolarHBondContact O-N 3.01Å |
| 90 | Q | 78.6 | Confident | 67.9 | Low | 112 Ų | 112 | 95.6 Ų | 95.6 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | trans | -127.8 | 141 | 177.5 | -135.8 | 144.4 | 39.4 | 0 | 0 | 111.6 | E87 | E87-Q90 HydrophobicContact CB-CB 4.16Å; E87-Q90 PolarHBondContact O-N 2.89Å | ||
| 91 | C | 84.1 | Confident | 67.1 | Low | 13 Ų | 13 | 92.3 Ų | 92.3 | 9% | 0.088 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -71.5 | -44.3 | 179.2 | 176.7 | 0 | 0 | 0 | 0 | 112.5 | Y57 C58 L74 | Y57-C91 WeakPolarHBondContact O-CB 3.14Å; C58-C91 WeakPolarHBondContact CA-SG 3.21Å; C58-C91 HydrophobicContact CB-CB 3.94Å; C58-C91 WeakPolarHBondContact CB-SG 3.49Å; C58-C91 WeakPolarHBondContact SG-CA 3.41Å; C58-C91 WeakPolarHBondContact SG-CB 3.31Å; C58-C91 PolarHBondContact SG-O 2.77Å; C58-C91 CovalentContact SG-SG 2.05Å; C58-C91 PolarHBondContact SG-SG 2.81Å; L74-C91 HydrophobicContact CB-CB 4.5Å; L74-C91 HydrophobicContact CD1-CB 4.11Å |
| 92 | C | 83.9 | Confident | 66.1 | Low | 37 Ų | 37 | 96.5 Ų | 96.5 | 25% | 0.25 | 54% | 0.542 | C | S | . | . | S | Bend | trans | -101.8 | 138.6 | -167.7 | -64.7 | 0 | 0 | 0 | 0 | 112.3 | C76 | C76-C92 WeakPolarHBondContact CA-SG 3.46Å; C76-C92 HydrophobicContact CB-CB 3.79Å; C76-C92 WeakPolarHBondContact CB-SG 2.95Å; C76-C92 WeakPolarHBondContact SG-CA 3.02Å; C76-C92 WeakPolarHBondContact SG-CB 2.72Å; C76-C92 CovalentContact SG-SG 2.05Å; C76-C92 PolarHBondContact SG-SG 2.95Å |
| 93 | P | 78.7 | Confident | 65.2 | Low | 40 Ų | 40 | 93.5 Ų | 93.5 | 26% | 0.26 | 53% | 0.532 | S | S | . | . | trans | -63.7 | 157.2 | 172 | 23.9 | -29.5 | 0 | 0 | 0 | 110.3 | L79 P84 V85 M86 | L79-P93 HydrophobicContact CD1-CB 4.04Å; L79-P93 HydrophobicContact CD1-CG 3.91Å; L79-P93 WeakPolarHBondContact CD1-O 2.9Å; P84-P93 HydrophobicContact CB-CB 3.87Å; V85-P93 WeakPolarHBondContact O-CA 3.3Å; M86-P93 HydrophobicContact SD-CB 3.59Å; M86-P93 VanDerWaalsContact SD-CB 3.59Å; M86-P93 HydrophobicContact SD-CG 4.05Å | ||
| 94 | R | 77.2 | Confident | 64.7 | Low | 88 Ų | 88 | 93.8 Ų | 93.8 | 33% | 0.332 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 149 | 171.8 | 55.4 | -171.6 | 154.6 | 76.4 | 36.2 | 109.9 | V85 E87 | V85-R94 PolarHBondContact N-O 2.8Å; V85-R94 PolarHBondContact O-N 3.24Å; E87-R94 IonicContact OE1-CZ 2.64Å; E87-R94 IonicContact OE1-NH2 3.75Å; E87-R94 PolarHBondContact OE1-NH2 3.15Å; E87-R94 IonicContact OE2-CZ 2.66Å; E87-R94 IonicContact OE2-NE 2.73Å; E87-R94 PolarHBondContact OE2-NE 2.93Å; E87-R94 IonicContact OE2-NH1 2.85Å; E87-R94 PolarHBondContact OE2-NH1 2.8Å; E87-R94 IonicContact OE2-NH2 2.81Å; E87-R94 PolarHBondContact OE2-NH2 3.23Å |
| 95 | C | 72.9 | Confident | 63.4 | Low | 51 Ų | 51 | 102.3 Ų | 102.3 | 35% | 0.345 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.9 | 135.7 | 169 | -57.4 | 0 | 0 | 0 | 0 | 108 | C81 D97 | C81-C95 HydrophobicContact CB-CB 3.76Å; C81-C95 WeakPolarHBondContact CB-SG 3.44Å; C81-C95 WeakPolarHBondContact SG-CB 3.36Å; C81-C95 CovalentContact SG-SG 2.04Å; C81-C95 PolarHBondContact SG-SG 3.26Å; C95-D97 PolarHBondContact O-N 2.84Å |
| 96 | V | 67.2 | Low | 61.8 | Low | 93 Ų | 93 | 103 Ų | 103 | 56% | 0.564 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 117.3 | 169.4 | -177.8 | 0 | 0 | 0 | 0 | 106.8 | V85 P98 | V85-V96 HydrophobicContact CB-CG2 4.11Å; V85-V96 HydrophobicContact CG2-CG2 3.49Å; V85-V96 VanDerWaalsContact CG2-CG2 3.49Å; V96-P98 WeakPolarHBondContact O-CD 3.39Å |
| 97 | D | 53.3 | Low | 61 | Low | 113 Ų | 113 | 103.5 Ų | 103.5 | 60% | 0.604 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 123.4 | 171.7 | -152.5 | -32.6 | 0 | 0 | 0 | 108 | C95 H99 | C95-D97 PolarHBondContact O-N 2.84Å; D97-H99 PolarHBondContact O-N 2.71Å; D97-H99 PolarHBondContact OD1-N 2.82Å |
| 98 | P | 52.4 | Low | 60.2 | Low | 114 Ų | 114 | 104.6 Ų | 104.6 | 74% | 0.74 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -60.9 | -13.7 | 176.4 | -21.5 | 32.9 | 0 | 0 | 0 | 113.3 | V96 | V96-P98 WeakPolarHBondContact O-CD 3.39Š|
| 99 | H | 51.4 | Low | 60.1 | Low | 147 Ų | 147 | 107 Ų | 107 | 68% | 0.681 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -113.5 | 75 | 179.1 | -61.1 | -66.6 | 0 | 0 | 0 | 112.3 | D97 | D97-H99 PolarHBondContact O-N 2.71Å; D97-H99 PolarHBondContact OD1-N 2.82Å |
| 100 | L | 41.8 | Very low | 60 | Low | 126 Ų | 126 | 103 Ų | 103 | 66% | 0.66 | 58% | 0.578 | S | S | * | * | trans | 75.2 | 128.6 | 151.7 | -154.5 | 70.6 | 0 | 0 | 0 | 119.5 | ||||
| 101 | P | 47.8 | Very low | 59.9 | Low | 113 Ų | 113 | 97.8 Ų | 97.8 | 73% | 0.734 | 55% | 0.554 | S | S | * | * | trans | -73.3 | 125.5 | 158 | -4 | 20.1 | 0 | 0 | 0 | 110.9 | G103 | P101-G103 PolarHBondContact O-N 2.83Š| ||
| 102 | S | 48.7 | Very low | 59.6 | Low | 132 Ų | 132 | 104.3 Ų | 104.3 | 92% | 0.923 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 105.5 | 172.1 | -55 | 0 | 0 | 0 | 0 | 111.4 | ||
| 103 | G | 47.7 | Very low | 58.9 | Low | 70 Ų | 70 | 104.1 Ų | 104.1 | 72% | 0.722 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.3 | -25.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 119 | P101 | P101-G103 PolarHBondContact O-N 2.83Š|
| 104 | I | 43.7 | Very low | 58.2 | Low | 155 Ų | 155 | 107.8 Ų | 107.8 | 80% | 0.795 | 60% | 0.597 | S | S | * | * | trans | -142.3 | 88.1 | 179.9 | -52.8 | 178.2 | 0 | 0 | 0 | 109.2 | A106 | I104-A106 PolarHBondContact O-N 3.47Å; I104-A106 VanDerWaalsContact O-N 3.1Å | ||
| 105 | R | 44.6 | Very low | 57.7 | Low | 250 Ų | 250 | 113.1 Ų | 113.1 | 94% | 0.943 | 63% | 0.626 | S | S | * | * | trans | -78 | 89.4 | 172.2 | -174.1 | 179.8 | -91.6 | -176.4 | -6.5 | 108.7 | ||||
| 106 | A | 42.1 | Very low | 57.7 | Low | 64 Ų | 64 | 113.9 Ų | 113.9 | 53% | 0.529 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -78.7 | 147.3 | 151 | 0 | 0 | 0 | 0 | 0 | 108.2 | I104 L108 | I104-A106 PolarHBondContact O-N 3.47Å; I104-A106 VanDerWaalsContact O-N 3.1Å; A106-L108 PolarHBondContact O-N 3.09Å; A106-L108 VanDerWaalsContact O-N 3.11Å |
| 107 | P | 50.1 | Low | 58.2 | Low | 122 Ų | 122 | 113 Ų | 113 | 79% | 0.792 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 121.1 | 170 | -13.4 | 25 | 0 | 0 | 0 | 108.3 | K109 | P107-K109 PolarHBondContact O-N 2.71Š|
| 108 | L | 55.2 | Low | 59.2 | Low | 109 Ų | 109 | 109.1 Ų | 109.1 | 57% | 0.571 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 121.7 | 175.2 | -70.8 | 160.9 | 0 | 0 | 0 | 107.9 | A106 S110 H120 | A106-L108 PolarHBondContact O-N 3.09Å; A106-L108 VanDerWaalsContact O-N 3.11Å; L108-S110 PolarHBondContact O-N 2.99Å; L108-H120 HydrophobicContact CB-CB 3.81Å; L108-H120 HydrophobicContact CD1-CB 4.35Å; L108-H120 HydrophobicContact CD2-CB 4.49Å; L108-H120 HydrophobicContact CG-CB 4.45Å |
| 109 | K | 65.8 | Low | 60.1 | Low | 154 Ų | 154 | 110.6 Ų | 110.6 | 67% | 0.67 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 130 | -178.4 | -64.7 | -179.9 | -179.2 | 178.4 | 0 | 109.6 | P107 G146 | P107-K109 PolarHBondContact O-N 2.71Å; K109-G146 PolarHBondContact O-N 3.41Å |
| 110 | S | 72.9 | Confident | 60.9 | Low | 60 Ų | 60 | 106.6 Ų | 106.6 | 42% | 0.42 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -76.2 | 154.8 | 170.2 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | L108 T117 Y118 | L108-S110 PolarHBondContact O-N 2.99Å; S110-T117 WeakPolarHBondContact OG-CG2 3.09Å; S110-Y118 CarbonylContact C-O 3.55Å; S110-Y118 VanDerWaalsContact CA-O 3.29Å; S110-Y118 WeakPolarHBondContact CA-O 3.48Å; S110-Y118 WeakPolarHBondContact CB-O 3.47Å |
| 111 | C | 77.4 | Confident | 61.9 | Low | 2 Ų | 2 | 102.9 Ų | 102.9 | 1% | 0.014 | 57% | 0.571 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 136.6 | 174.4 | -51.4 | 0 | 0 | 0 | 0 | 109 | T117 Y118 C143 G146 H147 T148 | C111-T117 CarbonylContact O-C 3.57Å; C111-T117 WeakPolarHBondContact O-CA 3.3Å; C111-Y118 PolarHBondContact N-O 2.95Å; C111-Y118 PolarHBondContact O-N 2.86Å; C111-C143 HydrophobicContact CB-CB 3.7Å; C111-C143 WeakPolarHBondContact CB-SG 3.33Å; C111-C143 PolarHBondContact N-SG 2.98Å; C111-C143 WeakPolarHBondContact SG-CA 3.47Å; C111-C143 WeakPolarHBondContact SG-CB 3.4Å; C111-C143 CovalentContact SG-SG 2.03Å; C111-C143 PolarHBondContact SG-SG 3.21Å; C111-G146 VanDerWaalsContact SG-CA 3.58Å; C111-H147 VanDerWaalsContact SG-C 3.55Å; C111-H147 PolarHBondContact SG-N 2.87Å; C111-H147 VanDerWaalsContact SG-N 3.44Å; C111-H147 PolarHBondContact SG-O 2.92Å; C111-H147 VanDerWaalsContact SG-O 3.4Å; C111-T148 WeakPolarHBondContact CB-OG1 3.45Å |
| 112 | Q | 77.1 | Confident | 62.8 | Low | 151 Ų | 151 | 101.2 Ų | 101.2 | 71% | 0.706 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107 | 127.6 | 171.6 | -70.1 | -163.6 | -6.8 | 0 | 0 | 109.9 | T116 T117 | Q112-T116 WeakPolarHBondContact CA-O 3.46Å; Q112-T117 HydrophobicContact CG-CG2 4.47Å |
| 113 | L | 69.7 | Low | 64 | Low | 32 Ų | 32 | 98.3 Ų | 98.3 | 17% | 0.168 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 128 | 177.2 | -174.9 | 68.4 | 0 | 0 | 0 | 109.8 | E115 T116 Y118 F124 A126 L129 T148 | L113-E115 VanDerWaalsContact C-N 3.32Å; L113-E115 PolarHBondContact O-N 2.8Å; L113-T116 PolarHBondContact N-O 2.83Å; L113-T116 WeakPolarHBondContact O-CB 3.33Å; L113-T116 PolarHBondContact O-N 2.73Å; L113-Y118 HydrophobicContact CB-CD2 4.25Å; L113-Y118 HydrophobicContact CB-CE2 3.95Å; L113-F124 HydrophobicContact CD2-CE2 3.36Å; L113-F124 HydrophobicContact CD2-CZ 3.68Å; L113-A126 HydrophobicContact CD2-CB 4.39Å; L113-L129 HydrophobicContact CD1-CD1 3.94Å; L113-L129 HydrophobicContact CD1-CD2 4.14Å; L113-L129 HydrophobicContact CD2-CD1 3.41Å; L113-L129 VanDerWaalsContact CD2-CD1 3.41Å; L113-L129 HydrophobicContact CG-CD1 4.13Å; L113-T148 HydrophobicContact CD2-CG2 4.11Å |
| 114 | N | 64 | Low | 65.3 | Low | 117 Ų | 117 | 95.4 Ų | 95.4 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 53.6 | -177.6 | -63 | -5.9 | 0 | 0 | 0 | 112.6 | T116 | N114-T116 PolarHBondContact O-N 2.82Å; N114-T116 PolarHBondContact O-OG1 2.86Å |
| 115 | E | 66.6 | Low | 66.6 | Low | 200 Ų | 200 | 89.1 Ų | 89.1 | 94% | 0.935 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 1.1 | 179.9 | -53.6 | -176.1 | 165.3 | 0 | 0 | 115.9 | L113 | L113-E115 VanDerWaalsContact C-N 3.32Å; L113-E115 PolarHBondContact O-N 2.8Å |
| 116 | T | 72.6 | Confident | 67.8 | Low | 68 Ų | 68 | 77.7 Ų | 77.7 | 42% | 0.417 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.5 | 178.7 | -44.2 | 0 | 0 | 0 | 0 | 109.8 | Q112 L113 N114 Y118 | Q112-T116 WeakPolarHBondContact CA-O 3.46Å; L113-T116 PolarHBondContact N-O 2.83Å; L113-T116 WeakPolarHBondContact O-CB 3.33Å; L113-T116 PolarHBondContact O-N 2.73Å; N114-T116 PolarHBondContact O-N 2.82Å; N114-T116 PolarHBondContact O-OG1 2.86Å; T116-Y118 HydrophobicContact CG2-CE1 4.09Å; T116-Y118 HydrophobicContact CG2-CE2 4.05Å |
| 117 | T | 76.9 | Confident | 68.6 | Low | 73 Ų | 73 | 80.1 Ų | 80.1 | 45% | 0.448 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 113.8 | 178.5 | -59.7 | 0 | 0 | 0 | 0 | 109.8 | S110 C111 Q112 | S110-T117 WeakPolarHBondContact OG-CG2 3.09Å; C111-T117 CarbonylContact O-C 3.57Å; C111-T117 WeakPolarHBondContact O-CA 3.3Å; Q112-T117 HydrophobicContact CG-CG2 4.47Å |
| 118 | Y | 74.4 | Confident | 69 | Low | 32 Ų | 32 | 82.9 Ų | 82.9 | 13% | 0.125 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 134.9 | 179.7 | -60.2 | -80.7 | 0 | 0 | 0 | 110.8 | S110 C111 L113 T116 E122 F124 C143 | S110-Y118 CarbonylContact C-O 3.55Å; S110-Y118 VanDerWaalsContact CA-O 3.29Å; S110-Y118 WeakPolarHBondContact CA-O 3.48Å; S110-Y118 WeakPolarHBondContact CB-O 3.47Å; C111-Y118 PolarHBondContact N-O 2.95Å; C111-Y118 PolarHBondContact O-N 2.86Å; L113-Y118 HydrophobicContact CB-CD2 4.25Å; L113-Y118 HydrophobicContact CB-CE2 3.95Å; T116-Y118 HydrophobicContact CG2-CE1 4.09Å; T116-Y118 HydrophobicContact CG2-CE2 4.05Å; Y118-E122 WeakPolarHBondContact CA-OE2 3.33Å; Y118-E122 HydrophobicContact CD1-CG 4.2Å; Y118-F124 HydrophobicContact CD1-CB 4.02Å; Y118-F124 AromaticContact CD1-CD1 3.19Å; Y118-F124 HydrophobicContact CD1-CD1 3.19Å; Y118-F124 HydrophobicContact CD1-CD2 4.33Å; Y118-F124 AromaticContact CD1-CE1 3.63Å; Y118-F124 HydrophobicContact CD1-CE1 3.63Å; Y118-F124 AromaticContact CD1-CG 3.59Å; Y118-F124 HydrophobicContact CD1-CG 3.59Å; Y118-F124 HydrophobicContact CD1-CZ 4.34Å; Y118-F124 HydrophobicContact CD2-CD1 4.04Å; Y118-F124 AromaticContact CD2-CE1 3.62Å; Y118-F124 HydrophobicContact CD2-CE1 3.62Å; Y118-F124 HydrophobicContact CD2-CE2 4.2Å; Y118-F124 HydrophobicContact CD2-CG 4.48Å; Y118-F124 AromaticContact CD2-CZ 3.69Å; Y118-F124 HydrophobicContact CD2-CZ 3.69Å; Y118-F124 HydrophobicContact CE1-CB 3.47Å; Y118-F124 VanDerWaalsContact CE1-CB 3.47Å; Y118-F124 AromaticContact CE1-CD1 3.4Å; Y118-F124 HydrophobicContact CE1-CD1 3.4Å; Y118-F124 VanDerWaalsContact CE1-CD1 3.4Å; Y118-F124 AromaticContact CE1-CD2 3.72Å; Y118-F124 HydrophobicContact CE1-CD2 3.72Å; Y118-F124 HydrophobicContact CE1-CE1 4.01Å; Y118-F124 HydrophobicContact CE1-CE2 4.29Å; Y118-F124 AromaticContact CE1-CG 3.22Å; Y118-F124 HydrophobicContact CE1-CG 3.22Å; Y118-F124 HydrophobicContact CE1-CZ 4.4Å; Y118-F124 HydrophobicContact CE2-CD1 4.22Å; Y118-F124 AromaticContact CE2-CD2 3.98Å; Y118-F124 HydrophobicContact CE2-CD2 3.98Å; Y118-F124 HydrophobicContact CE2-CE1 4.01Å; Y118-F124 AromaticContact CE2-CE2 3.77Å; Y118-F124 HydrophobicContact CE2-CE2 3.77Å; Y118-F124 HydrophobicContact CE2-CG 4.2Å; Y118-F124 AromaticContact CE2-CZ 3.76Å; Y118-F124 HydrophobicContact CE2-CZ 3.76Å; Y118-F124 AromaticContact CG-CD1 3.52Å; Y118-F124 HydrophobicContact CG-CD1 3.52Å; Y118-F124 AromaticContact CG-CE1 3.39Å; Y118-F124 HydrophobicContact CG-CE1 3.39Å; Y118-F124 HydrophobicContact CG-CG 4.19Å; Y118-F124 AromaticContact CG-CZ 3.98Å; Y118-F124 HydrophobicContact CG-CZ 3.98Å; Y118-F124 AromaticContact CZ-CD1 3.9Å; Y118-F124 AromaticContact CZ-CD2 3.49Å; Y118-F124 VanDerWaalsContact CZ-CD2 3.49Å; Y118-F124 AromaticContact CZ-CE2 3.79Å; Y118-F124 AromaticContact CZ-CG 3.55Å; Y118-C143 PolarHBondContact O-SG 2.9Å |
| 119 | Q | 71.3 | Confident | 69.2 | Low | 146 Ų | 146 | 81.1 Ų | 81.1 | 68% | 0.682 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 155.1 | 177.7 | -58.8 | -166.9 | 9.5 | 0 | 0 | 111.3 | G121 E122 C143 | Q119-G121 PolarHBondContact O-N 3.33Å; Q119-E122 PolarHBondContact N-OE2 3.3Å; Q119-E122 WeakPolarHBondContact O-CB 3.42Å; Q119-E122 PolarHBondContact O-N 3.13Å; Q119-C143 WeakPolarHBondContact O-CB 3.22Å |
| 120 | H | 67.7 | Low | 68.9 | Low | 62 Ų | 62 | 75.6 Ų | 75.6 | 29% | 0.287 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 127.6 | 172.5 | 171.8 | 105.6 | 0 | 0 | 0 | 109.9 | L108 E145 | L108-H120 HydrophobicContact CB-CB 3.81Å; L108-H120 HydrophobicContact CD1-CB 4.35Å; L108-H120 HydrophobicContact CD2-CB 4.49Å; L108-H120 HydrophobicContact CG-CB 4.45Å; H120-E145 VanDerWaalsContact CE1-CG 3.49Å; H120-E145 WeakPolarHBondContact CE1-CG 2.91Å; H120-E145 WeakPolarHBondContact ND1-CG 3.27Å; H120-E145 PolarHBondContact ND1-N 2.71Å |
| 121 | G | 64 | Low | 68 | Low | 48 Ų | 48 | 78.2 Ų | 78.2 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q119 C143 | Q119-G121 PolarHBondContact O-N 3.33Å; G121-C143 PolarHBondContact N-O 2.78Å |
| 122 | E | 67.4 | Low | 67 | Low | 79 Ų | 79 | 81.6 Ų | 81.6 | 37% | 0.369 | 43% | 0.431 | S | S | . | . | trans | -72.8 | 142.4 | -179.7 | -164.7 | 169.7 | 168.6 | 0 | 0 | 111.5 | Y118 Q119 S142 C143 | Y118-E122 WeakPolarHBondContact CA-OE2 3.33Å; Y118-E122 HydrophobicContact CD1-CG 4.2Å; Q119-E122 PolarHBondContact N-OE2 3.3Å; Q119-E122 WeakPolarHBondContact O-CB 3.42Å; Q119-E122 PolarHBondContact O-N 3.13Å; E122-S142 CarbonylContact O-C 3.59Å; E122-S142 VanDerWaalsContact O-CA 3.3Å; E122-S142 WeakPolarHBondContact O-CA 3.35Å; E122-C143 PolarHBondContact O-N 3.33Å | ||
| 123 | I | 72.1 | Confident | 66 | Low | 71 Ų | 71 | 85.3 Ų | 85.3 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.1 | 179.3 | -56.6 | 171.3 | 0 | 0 | 0 | 107.5 | L140 C141 | I123-L140 HydrophobicContact CG2-CD1 3.59Å; I123-L140 HydrophobicContact CG2-CD2 4.13Å; I123-L140 HydrophobicContact CG2-CG 3.84Å; I123-C141 CarbonylContact C-O 3.46Å; I123-C141 VanDerWaalsContact CA-O 3.27Å; I123-C141 WeakPolarHBondContact CA-O 3.48Å; I123-C141 WeakPolarHBondContact CG2-O 3.34Å |
| 124 | F | 75.3 | Confident | 65.5 | Low | 8 Ų | 8 | 88.5 Ų | 88.5 | 4% | 0.035 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 153.3 | -175.2 | 57.8 | -89.4 | 0 | 0 | 0 | 111.2 | L113 Y118 A126 C141 T148 | L113-F124 HydrophobicContact CD2-CE2 3.36Å; L113-F124 HydrophobicContact CD2-CZ 3.68Å; Y118-F124 HydrophobicContact CD1-CB 4.02Å; Y118-F124 AromaticContact CD1-CD1 3.19Å; Y118-F124 HydrophobicContact CD1-CD1 3.19Å; Y118-F124 HydrophobicContact CD1-CD2 4.33Å; Y118-F124 AromaticContact CD1-CE1 3.63Å; Y118-F124 HydrophobicContact CD1-CE1 3.63Å; Y118-F124 AromaticContact CD1-CG 3.59Å; Y118-F124 HydrophobicContact CD1-CG 3.59Å; Y118-F124 HydrophobicContact CD1-CZ 4.34Å; Y118-F124 HydrophobicContact CD2-CD1 4.04Å; Y118-F124 AromaticContact CD2-CE1 3.62Å; Y118-F124 HydrophobicContact CD2-CE1 3.62Å; Y118-F124 HydrophobicContact CD2-CE2 4.2Å; Y118-F124 HydrophobicContact CD2-CG 4.48Å; Y118-F124 AromaticContact CD2-CZ 3.69Å; Y118-F124 HydrophobicContact CD2-CZ 3.69Å; Y118-F124 HydrophobicContact CE1-CB 3.47Å; Y118-F124 VanDerWaalsContact CE1-CB 3.47Å; Y118-F124 AromaticContact CE1-CD1 3.4Å; Y118-F124 HydrophobicContact CE1-CD1 3.4Å; Y118-F124 VanDerWaalsContact CE1-CD1 3.4Å; Y118-F124 AromaticContact CE1-CD2 3.72Å; Y118-F124 HydrophobicContact CE1-CD2 3.72Å; Y118-F124 HydrophobicContact CE1-CE1 4.01Å; Y118-F124 HydrophobicContact CE1-CE2 4.29Å; Y118-F124 AromaticContact CE1-CG 3.22Å; Y118-F124 HydrophobicContact CE1-CG 3.22Å; Y118-F124 HydrophobicContact CE1-CZ 4.4Å; Y118-F124 HydrophobicContact CE2-CD1 4.22Å; Y118-F124 AromaticContact CE2-CD2 3.98Å; Y118-F124 HydrophobicContact CE2-CD2 3.98Å; Y118-F124 HydrophobicContact CE2-CE1 4.01Å; Y118-F124 AromaticContact CE2-CE2 3.77Å; Y118-F124 HydrophobicContact CE2-CE2 3.77Å; Y118-F124 HydrophobicContact CE2-CG 4.2Å; Y118-F124 AromaticContact CE2-CZ 3.76Å; Y118-F124 HydrophobicContact CE2-CZ 3.76Å; Y118-F124 AromaticContact CG-CD1 3.52Å; Y118-F124 HydrophobicContact CG-CD1 3.52Å; Y118-F124 AromaticContact CG-CE1 3.39Å; Y118-F124 HydrophobicContact CG-CE1 3.39Å; Y118-F124 HydrophobicContact CG-CG 4.19Å; Y118-F124 AromaticContact CG-CZ 3.98Å; Y118-F124 HydrophobicContact CG-CZ 3.98Å; Y118-F124 AromaticContact CZ-CD1 3.9Å; Y118-F124 AromaticContact CZ-CD2 3.49Å; Y118-F124 VanDerWaalsContact CZ-CD2 3.49Å; Y118-F124 AromaticContact CZ-CE2 3.79Å; Y118-F124 AromaticContact CZ-CG 3.55Å; F124-A126 HydrophobicContact CD2-CB 4.42Å; F124-A126 HydrophobicContact CE2-CB 4.28Å; F124-C141 HydrophobicContact CD1-CB 4.41Å; F124-C141 HydrophobicContact CD2-CB 3.81Å; F124-C141 HydrophobicContact CE1-CB 3.99Å; F124-C141 HydrophobicContact CE2-CB 3.29Å; F124-C141 HydrophobicContact CG-CB 4.34Å; F124-C141 HydrophobicContact CZ-CB 3.41Å; F124-C141 VanDerWaalsContact CZ-CB 3.41Å; F124-C141 PolarHBondContact N-O 2.76Å; F124-C141 PolarHBondContact O-N 3.11Å; F124-T148 HydrophobicContact CE1-CG2 4.44Å; F124-T148 HydrophobicContact CZ-CG2 3.67Å |
| 125 | S | 72.3 | Confident | 65.4 | Low | 24 Ų | 24 | 89.4 Ų | 89.4 | 17% | 0.168 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 137 | 173.5 | 59.9 | 0 | 0 | 0 | 0 | 110.9 | Q127 V139 | S125-Q127 PolarHBondContact OG-OE1 2.79Å; S125-V139 WeakPolarHBondContact CA-O 3.29Å |
| 126 | A | 69.3 | Low | 65.3 | Low | 9 Ų | 9 | 82.7 Ų | 82.7 | 7% | 0.074 | 44% | 0.441 | C | S | . | . | trans | -130.1 | 87.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L113 F124 E128 L129 V139 | L113-A126 HydrophobicContact CD2-CB 4.39Å; F124-A126 HydrophobicContact CD2-CB 4.42Å; F124-A126 HydrophobicContact CE2-CB 4.28Å; A126-E128 PolarHBondContact O-N 3.08Å; A126-L129 HydrophobicContact CB-CD1 3.53Å; A126-L129 HydrophobicContact CB-CG 4.08Å; A126-V139 HydrophobicContact CB-CG1 4.43Å; A126-V139 PolarHBondContact N-O 3.41Å; A126-V139 VanDerWaalsContact N-O 3.11Å; A126-V139 VanDerWaalsContact O-CB 3.26Å; A126-V139 WeakPolarHBondContact O-CB 3.32Å | ||
| 127 | Q | 59.4 | Low | 65 | Low | 115 Ų | 115 | 81.2 Ų | 81.2 | 54% | 0.537 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 1 | -165.6 | -96.5 | 67.1 | 20.6 | 0 | 0 | 117.4 | S125 | S125-Q127 PolarHBondContact OG-OE1 2.79Š|
| 128 | E | 56.6 | Low | 64.8 | Low | 181 Ų | 181 | 78.2 Ų | 78.2 | 85% | 0.846 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.3 | 7.3 | -172.6 | -60.4 | -168.7 | -177.1 | 0 | 0 | 115.8 | A126 | A126-E128 PolarHBondContact O-N 3.08Š|
| 129 | L | 60.5 | Low | 64.8 | Low | 71 Ų | 71 | 76.8 Ų | 76.8 | 37% | 0.372 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -83.2 | -24.5 | -176.9 | -66.8 | 173.6 | 0 | 0 | 0 | 114.5 | L113 A126 | L113-L129 HydrophobicContact CD1-CD1 3.94Å; L113-L129 HydrophobicContact CD1-CD2 4.14Å; L113-L129 HydrophobicContact CD2-CD1 3.41Å; L113-L129 VanDerWaalsContact CD2-CD1 3.41Å; L113-L129 HydrophobicContact CG-CD1 4.13Å; A126-L129 HydrophobicContact CB-CD1 3.53Å; A126-L129 HydrophobicContact CB-CG 4.08Å |
| 130 | I | 58.4 | Low | 65 | Low | 39 Ų | 39 | 71.3 Ų | 71.3 | 20% | 0.2 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -132.7 | 122.5 | 179.8 | -50.8 | 173.5 | 0 | 0 | 0 | 106.9 | T132 V139 C150 L152 | I130-T132 PolarHBondContact O-N 2.88Å; I130-T132 VanDerWaalsContact O-N 3.08Å; I130-V139 HydrophobicContact CB-CG2 3.82Å; I130-V139 HydrophobicContact CD1-CG1 4.15Å; I130-V139 HydrophobicContact CD1-CG2 4.38Å; I130-V139 HydrophobicContact CG1-CG1 4.37Å; I130-V139 HydrophobicContact CG1-CG2 4.23Å; I130-C150 HydrophobicContact CD1-CB 4.32Å; I130-L152 HydrophobicContact CB-CD2 4.25Å; I130-L152 HydrophobicContact CB-CG 4.27Å; I130-L152 HydrophobicContact CD1-CG 4.41Å; I130-L152 HydrophobicContact CG2-CD1 3.7Å; I130-L152 HydrophobicContact CG2-CD2 4.16Å; I130-L152 HydrophobicContact CG2-CG 3.82Å |
| 131 | P | 54.7 | Low | 65.4 | Low | 114 Ų | 114 | 68.4 Ų | 68.4 | 74% | 0.74 | 37% | 0.368 | S | S | * | . | trans | -59.9 | 116.2 | 176.3 | -20.9 | 31.1 | 0 | 0 | 0 | 110.3 | R133 | P131-R133 PolarHBondContact O-N 2.04Š| ||
| 132 | T | 55.8 | Low | 66 | Low | 74 Ų | 74 | 66.8 Ų | 66.8 | 45% | 0.454 | 35% | 0.349 | S | S | . | . | trans | -66.3 | 124.9 | 175.2 | 50.5 | 0 | 0 | 0 | 0 | 109.1 | I130 Q137 L152 | I130-T132 PolarHBondContact O-N 2.88Å; I130-T132 VanDerWaalsContact O-N 3.08Å; T132-Q137 HydrophobicContact CG2-CB 4.22Å; T132-Q137 VanDerWaalsContact CG2-O 3.24Å; T132-Q137 WeakPolarHBondContact CG2-O 2.99Å; T132-L152 HydrophobicContact CG2-CD2 4.05Å | ||
| 133 | R | 57 | Low | 66.3 | Low | 229 Ų | 229 | 63 Ų | 63 | 86% | 0.864 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -87.6 | -19.5 | 178.5 | -68.8 | -148.6 | 179.5 | -160.5 | 1.7 | 113.1 | P131 | P131-R133 PolarHBondContact O-N 2.04Š|
| 134 | L | 58.4 | Low | 66.3 | Low | 98 Ų | 98 | 63 Ų | 63 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -129.9 | 149.3 | 178.1 | -59.3 | 170.1 | 0 | 0 | 0 | 109.4 | N136 Q137 | L134-N136 WeakPolarHBondContact CB-OD1 3.4Å; L134-N136 PolarHBondContact O-N 3.22Å; L134-Q137 HydrophobicContact CB-CG 4.02Å; L134-Q137 WeakPolarHBondContact O-CB 3.16Å; L134-Q137 PolarHBondContact O-N 3.24Å |
| 135 | S | 62.1 | Low | 65.8 | Low | 136 Ų | 136 | 68 Ų | 68 | 95% | 0.951 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -18.6 | -177.4 | 52.5 | 0 | 0 | 0 | 0 | 114 | Q137 | S135-Q137 VanDerWaalsContact C-N 3.33Š|
| 136 | N | 65.8 | Low | 65.4 | Low | 59 Ų | 59 | 68.3 Ų | 68.3 | 32% | 0.316 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 16.8 | 176.5 | 67.4 | -23.7 | 0 | 0 | 0 | 112.9 | L134 T154 C155 | L134-N136 WeakPolarHBondContact CB-OD1 3.4Å; L134-N136 PolarHBondContact O-N 3.22Å; N136-T154 WeakPolarHBondContact ND2-CG2 3.44Å; N136-T154 CarbonylContact O-C 3.6Å; N136-T154 WeakPolarHBondContact O-CA 3.28Å; N136-C155 PolarHBondContact O-N 3.2Å |
| 137 | Q | 65.6 | Low | 65.1 | Low | 38 Ų | 38 | 73.3 Ų | 73.3 | 18% | 0.178 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 138.1 | 179.4 | -68.9 | 177 | -22.5 | 0 | 0 | 111.6 | T132 L134 S135 L152 M153 | T132-Q137 HydrophobicContact CG2-CB 4.22Å; T132-Q137 VanDerWaalsContact CG2-O 3.24Å; T132-Q137 WeakPolarHBondContact CG2-O 2.99Å; L134-Q137 HydrophobicContact CB-CG 4.02Å; L134-Q137 WeakPolarHBondContact O-CB 3.16Å; L134-Q137 PolarHBondContact O-N 3.24Å; S135-Q137 VanDerWaalsContact C-N 3.33Å; Q137-L152 HydrophobicContact CB-CD2 4.36Å; Q137-M153 CarbonylContact C-O 3.57Å; Q137-M153 VanDerWaalsContact CA-O 3.29Å; Q137-M153 WeakPolarHBondContact CA-O 3.33Å |
| 138 | C | 72.6 | Confident | 65.7 | Low | 10 Ų | 10 | 70.1 Ų | 70.1 | 7% | 0.068 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 154.9 | 175.9 | 65.3 | 0 | 0 | 0 | 0 | 109.8 | L152 M153 C155 C170 | C138-L152 CarbonylContact O-C 3.43Å; C138-L152 WeakPolarHBondContact O-CA 3.49Å; C138-M153 PolarHBondContact N-O 2.74Å; C138-M153 PolarHBondContact O-N 2.96Å; C138-C155 PolarHBondContact SG-SG 2.78Å; C138-C170 HydrophobicContact CB-CB 4.1Å; C138-C170 VanDerWaalsContact CB-O 3.22Å; C138-C170 WeakPolarHBondContact CB-O 3.35Å; C138-C170 WeakPolarHBondContact CB-SG 3.33Å; C138-C170 VanDerWaalsContact SG-C 3.5Å; C138-C170 WeakPolarHBondContact SG-CB 3.31Å; C138-C170 PolarHBondContact SG-O 2.82Å; C138-C170 CovalentContact SG-SG 2.01Å; C138-C170 PolarHBondContact SG-SG 3.06Å |
| 139 | V | 75.1 | Confident | 66.5 | Low | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122.5 | 178.7 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | S125 A126 I130 C150 G151 L152 | S125-V139 WeakPolarHBondContact CA-O 3.29Å; A126-V139 HydrophobicContact CB-CG1 4.43Å; A126-V139 PolarHBondContact N-O 3.41Å; A126-V139 VanDerWaalsContact N-O 3.11Å; A126-V139 VanDerWaalsContact O-CB 3.26Å; A126-V139 WeakPolarHBondContact O-CB 3.32Å; I130-V139 HydrophobicContact CB-CG2 3.82Å; I130-V139 HydrophobicContact CD1-CG1 4.15Å; I130-V139 HydrophobicContact CD1-CG2 4.38Å; I130-V139 HydrophobicContact CG1-CG1 4.37Å; I130-V139 HydrophobicContact CG1-CG2 4.23Å; V139-C150 HydrophobicContact CG1-CB 4.08Å; V139-G151 WeakPolarHBondContact CA-O 3.02Å; V139-L152 HydrophobicContact CG2-CD2 3.67Å |
| 140 | L | 75.9 | Confident | 67.1 | Low | 32 Ų | 32 | 64.9 Ų | 64.9 | 17% | 0.168 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.7 | 175.4 | -168.7 | 67.5 | 0 | 0 | 0 | 109.6 | I123 C150 G151 M153 C170 F226 | I123-L140 HydrophobicContact CG2-CD1 3.59Å; I123-L140 HydrophobicContact CG2-CD2 4.13Å; I123-L140 HydrophobicContact CG2-CG 3.84Å; L140-C150 CarbonylContact O-C 3.6Å; L140-C150 WeakPolarHBondContact O-CA 3.27Å; L140-G151 PolarHBondContact N-O 2.87Å; L140-G151 PolarHBondContact O-N 2.93Å; L140-M153 HydrophobicContact CD2-SD 4.34Å; L140-C170 HydrophobicContact CD1-CB 4.31Å; L140-F226 HydrophobicContact CD2-CE2 4.31Å |
| 141 | C | 75.1 | Confident | 67.7 | Low | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 149.6 | -177.8 | -62 | 0 | 0 | 0 | 0 | 111.7 | I123 F124 T148 Y149 C150 | I123-C141 CarbonylContact C-O 3.46Å; I123-C141 VanDerWaalsContact CA-O 3.27Å; I123-C141 WeakPolarHBondContact CA-O 3.48Å; I123-C141 WeakPolarHBondContact CG2-O 3.34Å; F124-C141 HydrophobicContact CD1-CB 4.41Å; F124-C141 HydrophobicContact CD2-CB 3.81Å; F124-C141 HydrophobicContact CE1-CB 3.99Å; F124-C141 HydrophobicContact CE2-CB 3.29Å; F124-C141 HydrophobicContact CG-CB 4.34Å; F124-C141 HydrophobicContact CZ-CB 3.41Å; F124-C141 VanDerWaalsContact CZ-CB 3.41Å; F124-C141 PolarHBondContact N-O 2.76Å; F124-C141 PolarHBondContact O-N 3.11Å; C141-T148 HydrophobicContact CB-CG2 4.03Å; C141-Y149 CarbonylContact C-O 3.53Å; C141-Y149 WeakPolarHBondContact CA-O 3.48Å; C141-C150 HydrophobicContact CB-CB 4.14Å; C141-C150 WeakPolarHBondContact CB-SG 3.34Å; C141-C150 WeakPolarHBondContact SG-CB 3.27Å; C141-C150 CovalentContact SG-SG 2.04Å; C141-C150 PolarHBondContact SG-SG 3.41Å |
| 142 | S | 75.6 | Confident | 68.2 | Low | 13 Ų | 13 | 61.6 Ų | 61.6 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136.5 | 173.3 | 179 | 0 | 0 | 0 | 0 | 110.8 | E122 T148 Y149 | E122-S142 CarbonylContact O-C 3.59Å; E122-S142 VanDerWaalsContact O-CA 3.3Å; E122-S142 WeakPolarHBondContact O-CA 3.35Å; S142-T148 WeakPolarHBondContact O-CA 3.44Å; S142-Y149 PolarHBondContact N-O 2.91Å; S142-Y149 PolarHBondContact O-N 2.85Å |
| 143 | C | 75.1 | Confident | 68.6 | Low | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 118.4 | 174.2 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | C111 Y118 Q119 G121 E122 | C111-C143 HydrophobicContact CB-CB 3.7Å; C111-C143 WeakPolarHBondContact CB-SG 3.33Å; C111-C143 PolarHBondContact N-SG 2.98Å; C111-C143 WeakPolarHBondContact SG-CA 3.47Å; C111-C143 WeakPolarHBondContact SG-CB 3.4Å; C111-C143 CovalentContact SG-SG 2.03Å; C111-C143 PolarHBondContact SG-SG 3.21Å; Y118-C143 PolarHBondContact O-SG 2.9Å; Q119-C143 WeakPolarHBondContact O-CB 3.22Å; G121-C143 PolarHBondContact N-O 2.78Å; E122-C143 PolarHBondContact O-N 3.33Å |
| 144 | I | 72.4 | Confident | 69.3 | Low | 72 Ų | 72 | 52.2 Ų | 52.2 | 37% | 0.369 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 110.3 | 175.8 | -53 | 170.7 | 0 | 0 | 0 | 108.5 | G146 H147 Y149 | I144-G146 PolarHBondContact O-N 2.87Å; I144-H147 PolarHBondContact N-O 3.08Å; I144-H147 WeakPolarHBondContact O-CB 3.43Å; I144-H147 PolarHBondContact O-N 3.13Å; I144-Y149 HydrophobicContact CB-CD2 4.04Å; I144-Y149 HydrophobicContact CB-CE2 3.69Å; I144-Y149 HydrophobicContact CD1-CD2 4.04Å; I144-Y149 HydrophobicContact CD1-CE2 4.24Å; I144-Y149 HydrophobicContact CG1-CD2 4.13Å; I144-Y149 HydrophobicContact CG1-CE2 4.26Å |
| 145 | E | 65 | Low | 69.9 | Low | 113 Ų | 113 | 48.4 Ų | 48.4 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 43.3 | 174 | -57.5 | -173.8 | 158.6 | 0 | 0 | 113.4 | H120 H147 | H120-E145 VanDerWaalsContact CE1-CG 3.49Å; H120-E145 WeakPolarHBondContact CE1-CG 2.91Å; H120-E145 WeakPolarHBondContact ND1-CG 3.27Å; H120-E145 PolarHBondContact ND1-N 2.71Å; E145-H147 VanDerWaalsContact C-N 3.26Å; E145-H147 PolarHBondContact O-N 3.02Å; E145-H147 PolarHBondContact O-ND1 2.86Å |
| 146 | G | 63.4 | Low | 70.4 | Confident | 30 Ų | 30 | 46 Ų | 46 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 4.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K109 C111 I144 | K109-G146 PolarHBondContact O-N 3.41Å; C111-G146 VanDerWaalsContact SG-CA 3.58Å; I144-G146 PolarHBondContact O-N 2.87Å |
| 147 | H | 63.6 | Low | 70.4 | Confident | 113 Ų | 113 | 51.3 Ų | 51.3 | 52% | 0.523 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.6 | 175.2 | -54 | 86.8 | 0 | 0 | 0 | 110.5 | C111 I144 E145 Y149 | C111-H147 VanDerWaalsContact SG-C 3.55Å; C111-H147 PolarHBondContact SG-N 2.87Å; C111-H147 VanDerWaalsContact SG-N 3.44Å; C111-H147 PolarHBondContact SG-O 2.92Å; C111-H147 VanDerWaalsContact SG-O 3.4Å; I144-H147 PolarHBondContact N-O 3.08Å; I144-H147 WeakPolarHBondContact O-CB 3.43Å; I144-H147 PolarHBondContact O-N 3.13Å; E145-H147 VanDerWaalsContact C-N 3.26Å; E145-H147 PolarHBondContact O-N 3.02Å; E145-H147 PolarHBondContact O-ND1 2.86Å; H147-Y149 HydrophobicContact CB-CE2 3.69Å; H147-Y149 WeakPolarHBondContact O-CD2 3.07Å; H147-Y149 WeakPolarHBondContact O-CE2 3.43Å |
| 148 | T | 71.1 | Confident | 70.3 | Confident | 48 Ų | 48 | 51.6 Ų | 51.6 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 125.5 | 177.1 | -49.8 | 0 | 0 | 0 | 0 | 110.3 | C111 L113 F124 C141 S142 | C111-T148 WeakPolarHBondContact CB-OG1 3.45Å; L113-T148 HydrophobicContact CD2-CG2 4.11Å; F124-T148 HydrophobicContact CE1-CG2 4.44Å; F124-T148 HydrophobicContact CZ-CG2 3.67Å; C141-T148 HydrophobicContact CB-CG2 4.03Å; S142-T148 WeakPolarHBondContact O-CA 3.44Å |
| 149 | Y | 73.6 | Confident | 69.9 | Low | 110 Ų | 110 | 57.3 Ų | 57.3 | 43% | 0.431 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 111.7 | 177.2 | -62.1 | -92.2 | 0 | 0 | 0 | 109 | C141 S142 I144 H147 | C141-Y149 CarbonylContact C-O 3.53Å; C141-Y149 WeakPolarHBondContact CA-O 3.48Å; S142-Y149 PolarHBondContact N-O 2.91Å; S142-Y149 PolarHBondContact O-N 2.85Å; I144-Y149 HydrophobicContact CB-CD2 4.04Å; I144-Y149 HydrophobicContact CB-CE2 3.69Å; I144-Y149 HydrophobicContact CD1-CD2 4.04Å; I144-Y149 HydrophobicContact CD1-CE2 4.24Å; I144-Y149 HydrophobicContact CG1-CD2 4.13Å; I144-Y149 HydrophobicContact CG1-CE2 4.26Å; H147-Y149 HydrophobicContact CB-CE2 3.69Å; H147-Y149 WeakPolarHBondContact O-CD2 3.07Å; H147-Y149 WeakPolarHBondContact O-CE2 3.43Å |
| 150 | C | 73.4 | Confident | 69.7 | Low | 33 Ų | 33 | 58.9 Ų | 58.9 | 22% | 0.223 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 146.2 | 179.8 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | I130 V139 L140 C141 | I130-C150 HydrophobicContact CD1-CB 4.32Å; V139-C150 HydrophobicContact CG1-CB 4.08Å; L140-C150 CarbonylContact O-C 3.6Å; L140-C150 WeakPolarHBondContact O-CA 3.27Å; C141-C150 HydrophobicContact CB-CB 4.14Å; C141-C150 WeakPolarHBondContact CB-SG 3.34Å; C141-C150 WeakPolarHBondContact SG-CB 3.27Å; C141-C150 CovalentContact SG-SG 2.04Å; C141-C150 PolarHBondContact SG-SG 3.41Å |
| 151 | G | 70.5 | Confident | 69.2 | Low | 25 Ų | 25 | 63.7 Ų | 63.7 | 26% | 0.258 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 157.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V139 L140 | V139-G151 WeakPolarHBondContact CA-O 3.02Å; L140-G151 PolarHBondContact N-O 2.87Å; L140-G151 PolarHBondContact O-N 2.93Å |
| 152 | L | 64.8 | Low | 68.5 | Low | 59 Ų | 59 | 69 Ų | 69 | 31% | 0.309 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.3 | 168.8 | -74.8 | 168.6 | 0 | 0 | 0 | 109.2 | I130 T132 Q137 C138 V139 | I130-L152 HydrophobicContact CB-CD2 4.25Å; I130-L152 HydrophobicContact CB-CG 4.27Å; I130-L152 HydrophobicContact CD1-CG 4.41Å; I130-L152 HydrophobicContact CG2-CD1 3.7Å; I130-L152 HydrophobicContact CG2-CD2 4.16Å; I130-L152 HydrophobicContact CG2-CG 3.82Å; T132-L152 HydrophobicContact CG2-CD2 4.05Å; Q137-L152 HydrophobicContact CB-CD2 4.36Å; C138-L152 CarbonylContact O-C 3.43Å; C138-L152 WeakPolarHBondContact O-CA 3.49Å; V139-L152 HydrophobicContact CG2-CD2 3.67Å |
| 153 | M | 63.6 | Low | 68 | Low | 30 Ų | 30 | 70.5 Ų | 70.5 | 15% | 0.148 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.6 | 172.2 | 179.5 | 169 | 179 | 0 | 0 | 108.5 | Q137 C138 L140 Y225 | Q137-M153 CarbonylContact C-O 3.57Å; Q137-M153 VanDerWaalsContact CA-O 3.29Å; Q137-M153 WeakPolarHBondContact CA-O 3.33Å; C138-M153 PolarHBondContact N-O 2.74Å; C138-M153 PolarHBondContact O-N 2.96Å; L140-M153 HydrophobicContact CD2-SD 4.34Å; M153-Y225 HydrophobicContact CE-CD1 3.37Å; M153-Y225 HydrophobicContact CE-CD2 3.98Å; M153-Y225 HydrophobicContact CE-CE1 3.21Å; M153-Y225 HydrophobicContact CE-CE2 3.86Å; M153-Y225 HydrophobicContact CE-CG 3.76Å; M153-Y225 VanDerWaalsContact CE-CZ 3.47Å; M153-Y225 HydrophobicContact SD-CD1 4.47Å |
| 154 | T | 71.7 | Confident | 67.4 | Low | 75 Ų | 75 | 74.2 Ų | 74.2 | 46% | 0.46 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 120.4 | 172.9 | -54.1 | 0 | 0 | 0 | 0 | 108.2 | N136 | N136-T154 WeakPolarHBondContact ND2-CG2 3.44Å; N136-T154 CarbonylContact O-C 3.6Å; N136-T154 WeakPolarHBondContact O-CA 3.28Å |
| 155 | C | 71.5 | Confident | 66.9 | Low | 19 Ų | 19 | 75.3 Ų | 75.3 | 13% | 0.128 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 135.3 | 179.9 | -69 | 0 | 0 | 0 | 0 | 111 | N136 C138 C170 C171 | N136-C155 PolarHBondContact O-N 3.2Å; C138-C155 PolarHBondContact SG-SG 2.78Å; C155-C170 PolarHBondContact SG-O 3.19Å; C155-C171 WeakPolarHBondContact CA-SG 3.43Å; C155-C171 HydrophobicContact CB-CB 3.73Å; C155-C171 WeakPolarHBondContact CB-SG 3.2Å; C155-C171 WeakPolarHBondContact SG-CA 3.41Å; C155-C171 WeakPolarHBondContact SG-CB 3.39Å; C155-C171 CovalentContact SG-SG 2.05Å; C155-C171 PolarHBondContact SG-SG 2.74Å |
| 156 | P | 72.1 | Confident | 66.6 | Low | 86 Ų | 86 | 73.7 Ų | 73.7 | 56% | 0.558 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 145.1 | 171.5 | 27.6 | -32.3 | 0 | 0 | 0 | 110.1 | P158 | P156-P158 WeakPolarHBondContact O-CD 3.45Š|
| 157 | E | 65.7 | Low | 66 | Low | 170 Ų | 170 | 77.5 Ų | 77.5 | 79% | 0.794 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 122.6 | 176 | -72 | -175 | 172.3 | 0 | 0 | 110 | S159 | E157-S159 PolarHBondContact O-N 2.87Š|
| 158 | P | 64.9 | Low | 65.7 | Low | 44 Ų | 44 | 78.9 Ų | 78.9 | 29% | 0.286 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 122.1 | -179.4 | 26.3 | -32.3 | 0 | 0 | 0 | 110.2 | P156 C160 P163 | P156-P158 WeakPolarHBondContact O-CD 3.45Å; P158-C160 PolarHBondContact O-N 3.49Å; P158-P163 HydrophobicContact CB-CB 3.74Å; P158-P163 HydrophobicContact CB-CG 4.32Å; P158-P163 HydrophobicContact CG-CB 3.41Å; P158-P163 VanDerWaalsContact CG-CB 3.41Å; P158-P163 HydrophobicContact CG-CG 3.55Å |
| 159 | S | 62.9 | Low | 65.4 | Low | 130 Ų | 130 | 78.1 Ų | 78.1 | 91% | 0.909 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -77 | 47.1 | 176.1 | -47.3 | 0 | 0 | 0 | 0 | 112.2 | E157 | E157-S159 PolarHBondContact O-N 2.87Š|
| 160 | C | 72.1 | Confident | 65.3 | Low | 33 Ų | 33 | 74 Ų | 74 | 22% | 0.223 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -141 | 154.7 | 178.3 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | P158 T162 C174 | P158-C160 PolarHBondContact O-N 3.49Å; C160-T162 VanDerWaalsContact C-N 3.3Å; C160-T162 PolarHBondContact O-N 2.95Å; C160-C174 HydrophobicContact CB-CB 3.72Å; C160-C174 WeakPolarHBondContact CB-SG 3.12Å; C160-C174 WeakPolarHBondContact SG-CB 3.37Å; C160-C174 CovalentContact SG-SG 2.03Å; C160-C174 PolarHBondContact SG-SG 2.74Å |
| 161 | P | 65.3 | Low | 65.4 | Low | 133 Ų | 133 | 73.6 Ų | 73.6 | 86% | 0.864 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -66.8 | -27.9 | -173.7 | -19.2 | 31.6 | 0 | 0 | 0 | 114.1 | ||
| 162 | T | 60.5 | Low | 65.7 | Low | 113 Ų | 113 | 77.4 Ų | 77.4 | 69% | 0.693 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -142.6 | 86.7 | -177.5 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | C160 | C160-T162 VanDerWaalsContact C-N 3.3Å; C160-T162 PolarHBondContact O-N 2.95Å |
| 163 | P | 64.4 | Low | 66 | Low | 45 Ų | 45 | 77.1 Ų | 77.1 | 29% | 0.292 | 46% | 0.455 | S | S | . | . | trans | -77.1 | 145 | 173 | 33.1 | -36.2 | 0 | 0 | 0 | 111.3 | P158 Q172 | P158-P163 HydrophobicContact CB-CB 3.74Å; P158-P163 HydrophobicContact CB-CG 4.32Å; P158-P163 HydrophobicContact CG-CB 3.41Å; P158-P163 VanDerWaalsContact CG-CB 3.41Å; P158-P163 HydrophobicContact CG-CG 3.55Å; P163-Q172 HydrophobicContact CB-CB 3.91Å | ||
| 164 | F | 63 | Low | 66.4 | Low | 77 Ų | 77 | 78.1 Ų | 78.1 | 34% | 0.338 | 47% | 0.465 | S | S | . | . | B | Isolated β-bridge | trans | -130.5 | 146.5 | 178.5 | 71.2 | -80.4 | 0 | 0 | 0 | 112.2 | L166 T173 K175 | F164-L166 HydrophobicContact CE2-CD2 3.95Å; F164-L166 HydrophobicContact CE2-CG 3.84Å; F164-L166 HydrophobicContact CZ-CG 4.46Å; F164-T173 VanDerWaalsContact CD1-O 3.31Å; F164-T173 WeakPolarHBondContact CD1-O 3.37Å; F164-T173 PolarHBondContact N-O 2.83Å; F164-T173 PolarHBondContact O-N 2.58Å; F164-K175 HydrophobicContact CD1-CB 4.35Å; F164-K175 HydrophobicContact CE1-CB 3.62Å; F164-K175 HydrophobicContact CE1-CG 4.35Å; F164-K175 HydrophobicContact CZ-CB 4.41Å |
| 165 | P | 61.4 | Low | 66.3 | Low | 95 Ų | 95 | 82.6 Ų | 82.6 | 62% | 0.617 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 130.7 | 174.7 | 30.2 | -31.8 | 0 | 0 | 0 | 110.9 | ||
| 166 | L | 58.2 | Low | 65.4 | Low | 79 Ų | 79 | 88.9 Ų | 88.9 | 41% | 0.414 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 148.2 | 167 | -76.2 | 148.9 | 0 | 0 | 0 | 109.7 | F164 D168 S169 T173 | F164-L166 HydrophobicContact CE2-CD2 3.95Å; F164-L166 HydrophobicContact CE2-CG 3.84Å; F164-L166 HydrophobicContact CZ-CG 4.46Å; L166-D168 PolarHBondContact O-N 2.93Å; L166-S169 WeakPolarHBondContact CA-OG 3.46Å; L166-S169 WeakPolarHBondContact CB-OG 3.47Å; L166-S169 PolarHBondContact N-OG 2.85Å; L166-S169 VanDerWaalsContact N-OG 3.09Å; L166-S169 PolarHBondContact O-N 3.26Å; L166-S169 VanDerWaalsContact O-N 3.17Å; L166-S169 PolarHBondContact O-OG 3.39Å; L166-T173 HydrophobicContact CD1-CG2 4.08Å; L166-T173 WeakPolarHBondContact CD1-OG1 3.27Å |
| 167 | P | 51.7 | Low | 63.9 | Low | 111 Ų | 111 | 96.5 Ų | 96.5 | 72% | 0.721 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 135.8 | 166.1 | -16.8 | 29.2 | 0 | 0 | 0 | 109.4 | S169 | P167-S169 PolarHBondContact O-N 2.76Š|
| 168 | D | 56.6 | Low | 62.8 | Low | 142 Ų | 142 | 94.6 Ų | 94.6 | 76% | 0.759 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 4.9 | -178.4 | -46.2 | -40.7 | 0 | 0 | 0 | 116.6 | L166 | L166-D168 PolarHBondContact O-N 2.93Š|
| 169 | S | 65.1 | Low | 61.4 | Low | 32 Ų | 32 | 97.5 Ų | 97.5 | 22% | 0.224 | 55% | 0.549 | C | S | . | . | trans | -97.2 | 128.8 | 175.2 | 73.9 | 0 | 0 | 0 | 0 | 112.1 | L166 P167 C171 | L166-S169 WeakPolarHBondContact CA-OG 3.46Å; L166-S169 WeakPolarHBondContact CB-OG 3.47Å; L166-S169 PolarHBondContact N-OG 2.85Å; L166-S169 VanDerWaalsContact N-OG 3.09Å; L166-S169 PolarHBondContact O-N 3.26Å; L166-S169 VanDerWaalsContact O-N 3.17Å; L166-S169 PolarHBondContact O-OG 3.39Å; P167-S169 PolarHBondContact O-N 2.76Å; S169-C171 VanDerWaalsContact C-N 3.34Å; S169-C171 PolarHBondContact OG-O 2.88Å | ||
| 170 | C | 72.9 | Confident | 59.8 | Low | 22 Ų | 22 | 100.7 Ų | 100.7 | 15% | 0.149 | 55% | 0.55 | C | S | . | . | S | Bend | trans | -70.1 | -32.9 | 176.2 | -154.3 | 0 | 0 | 0 | 0 | 111.6 | C138 L140 C155 | C138-C170 HydrophobicContact CB-CB 4.1Å; C138-C170 VanDerWaalsContact CB-O 3.22Å; C138-C170 WeakPolarHBondContact CB-O 3.35Å; C138-C170 WeakPolarHBondContact CB-SG 3.33Å; C138-C170 VanDerWaalsContact SG-C 3.5Å; C138-C170 WeakPolarHBondContact SG-CB 3.31Å; C138-C170 PolarHBondContact SG-O 2.82Å; C138-C170 CovalentContact SG-SG 2.01Å; C138-C170 PolarHBondContact SG-SG 3.06Å; L140-C170 HydrophobicContact CD1-CB 4.31Å; C155-C170 PolarHBondContact SG-O 3.19Å |
| 171 | C | 75.2 | Confident | 57.7 | Low | 26 Ų | 26 | 104.2 Ų | 104.2 | 18% | 0.176 | 58% | 0.575 | C | S | . | * | S | Bend | trans | -120.4 | 150.2 | -174.5 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | C155 S169 | C155-C171 WeakPolarHBondContact CA-SG 3.43Å; C155-C171 HydrophobicContact CB-CB 3.73Å; C155-C171 WeakPolarHBondContact CB-SG 3.2Å; C155-C171 WeakPolarHBondContact SG-CA 3.41Å; C155-C171 WeakPolarHBondContact SG-CB 3.39Å; C155-C171 CovalentContact SG-SG 2.05Å; C155-C171 PolarHBondContact SG-SG 2.74Å; S169-C171 VanDerWaalsContact C-N 3.34Å; S169-C171 PolarHBondContact OG-O 2.88Å |
| 172 | Q | 76.4 | Confident | 55.8 | Low | 105 Ų | 105 | 102.1 Ų | 102.1 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | trans | -69.9 | 145.3 | 179 | -57.6 | 175.2 | -22.9 | 0 | 0 | 111.1 | P163 | P163-Q172 HydrophobicContact CB-CB 3.91Š| ||
| 173 | T | 70.7 | Confident | 54.3 | Low | 52 Ų | 52 | 102.6 Ų | 102.6 | 32% | 0.319 | 57% | 0.566 | S | S | . | * | B | Isolated β-bridge | trans | -123.4 | 156.7 | 179.7 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | F164 L166 | F164-T173 VanDerWaalsContact CD1-O 3.31Å; F164-T173 WeakPolarHBondContact CD1-O 3.37Å; F164-T173 PolarHBondContact N-O 2.83Å; F164-T173 PolarHBondContact O-N 2.58Å; L166-T173 HydrophobicContact CD1-CG2 4.08Å; L166-T173 WeakPolarHBondContact CD1-OG1 3.27Å |
| 174 | C | 73.3 | Confident | 52.7 | Low | 51 Ų | 51 | 109.2 Ų | 109.2 | 35% | 0.345 | 59% | 0.593 | S | S | . | * | trans | -94.7 | 143.1 | 176.5 | -56.1 | 0 | 0 | 0 | 0 | 109.4 | C160 D176 | C160-C174 HydrophobicContact CB-CB 3.72Å; C160-C174 WeakPolarHBondContact CB-SG 3.12Å; C160-C174 WeakPolarHBondContact SG-CB 3.37Å; C160-C174 CovalentContact SG-SG 2.03Å; C160-C174 PolarHBondContact SG-SG 2.74Å; C174-D176 PolarHBondContact O-N 2.81Å | ||
| 175 | K | 69.3 | Low | 50.9 | Low | 170 Ų | 170 | 112.2 Ų | 112.2 | 74% | 0.739 | 61% | 0.613 | S | S | * | * | trans | -83.6 | 115.8 | 175.8 | -164.9 | 170.3 | -178.9 | 174.7 | 0 | 108.4 | F164 R177 | F164-K175 HydrophobicContact CD1-CB 4.35Å; F164-K175 HydrophobicContact CE1-CB 3.62Å; F164-K175 HydrophobicContact CE1-CG 4.35Å; F164-K175 HydrophobicContact CZ-CB 4.41Å; K175-R177 PolarHBondContact O-N 2.84Å; K175-R177 VanDerWaalsContact O-N 3.13Å | ||
| 176 | D | 50.8 | Low | 49.3 | Very low | 150 Ų | 150 | 113.8 Ų | 113.8 | 80% | 0.802 | 62% | 0.615 | S | S | * | * | trans | -63.6 | 113.2 | 171.2 | -72.1 | -27.6 | 0 | 0 | 0 | 109.2 | C174 T178 | C174-D176 PolarHBondContact O-N 2.81Å; D176-T178 PolarHBondContact O-N 2.81Å | ||
| 177 | R | 41.3 | Very low | 47.7 | Very low | 247 Ų | 247 | 114.7 Ų | 114.7 | 93% | 0.932 | 62% | 0.624 | S | S | * | * | trans | -75 | 117.1 | 165.5 | -86.4 | -172.9 | 165.9 | -171.7 | -3.4 | 107.7 | K175 | K175-R177 PolarHBondContact O-N 2.84Å; K175-R177 VanDerWaalsContact O-N 3.13Å | ||
| 178 | T | 41.8 | Very low | 46.7 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 80% | 0.798 | 63% | 0.629 | S | S | * | * | trans | -80.9 | 133.9 | 171.8 | -1.4 | 0 | 0 | 0 | 0 | 110.4 | D176 | D176-T178 PolarHBondContact O-N 2.81Š| ||
| 179 | S | 36.4 | Very low | 45.2 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 73% | 0.734 | 63% | 0.625 | S | S | * | * | trans | 102.2 | 139.9 | 152 | -38 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 180 | E | 29.5 | Very low | 43.4 | Very low | 197 Ų | 197 | 122.4 Ų | 122.4 | 92% | 0.921 | 65% | 0.65 | S | S | * | * | trans | 84 | 130.7 | 172.8 | -58.2 | -178.6 | 173.6 | 0 | 0 | 115.1 | ||||
| 181 | S | 27.2 | Very low | 41.3 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | cis | -167.5 | 151.4 | 14.1 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 182 | S | 26.4 | Very low | 39 | Very low | 90 Ų | 90 | 131.7 Ų | 131.7 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | trans | 57.5 | 116.4 | 141 | 59.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 183 | T | 27.9 | Very low | 36.6 | Very low | 123 Ų | 123 | 136 Ų | 136 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | 25.2 | 139.1 | 119.8 | 6.7 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 184 | E | 31.2 | Very low | 34.4 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | 76.3 | 144.3 | 156.9 | -61.6 | -179.6 | -171.8 | 0 | 0 | 117 | ||||
| 185 | D | 26.2 | Very low | 32.2 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | cis | -172.1 | 170.6 | -18.3 | -169 | 7.2 | 0 | 0 | 0 | 105.2 | ||||
| 186 | L | 28 | Very low | 30.2 | Very low | 127 Ų | 127 | 148 Ų | 148 | 67% | 0.665 | 77% | 0.771 | S | S | * | * | trans | 90.9 | 109.9 | 157.1 | -102.5 | 77.7 | 0 | 0 | 0 | 122.2 | ||||
| 187 | T | 24.8 | Very low | 29.6 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 61% | 0.607 | 77% | 0.765 | S | S | * | * | 83.7 | 104.4 | 129.3 | 45.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 188 | Q | 29.1 | Very low | 28.7 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | 89.9 | 132.1 | 101.2 | -79.4 | -175.6 | -24.5 | 0 | 0 | 110.9 | |||||
| 189 | V | 25.2 | Very low | 28.5 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | -163.9 | 128.5 | 58.1 | 167.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 190 | Q | 28.1 | Very low | 28.2 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 31.2 | 128.4 | 139.3 | -54 | 170.4 | -22.1 | 0 | 0 | 121.9 | ||||
| 191 | H | 28.9 | Very low | 28.2 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | -175.7 | 115.2 | 93.1 | -121.1 | 69.1 | 0 | 0 | 0 | 108.3 | |||||
| 192 | G | 25.8 | Very low | 28.4 | Very low | 66 Ų | 66 | 140.9 Ų | 140.9 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | 78.6 | 103.6 | 103.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 193 | E | 26.3 | Very low | 28.5 | Very low | 194 Ų | 194 | 146 Ų | 146 | 91% | 0.907 | 78% | 0.776 | S | S | * | * | -163.9 | 149.4 | 83.2 | -152.2 | 130.4 | 123.8 | 0 | 0 | 113 | |||||
| 194 | R | 25.8 | Very low | 28.5 | Very low | 227 Ų | 227 | 150.7 Ų | 150.7 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -42.3 | 135 | -174.3 | -67.2 | 161.2 | 173.2 | 156.6 | -2.3 | 116.1 | ||||
| 195 | Q | 25.6 | Very low | 28.3 | Very low | 167 Ų | 167 | 153.8 Ų | 153.8 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | 48 | 124.3 | 78.4 | -80.6 | 178.5 | -59.5 | 0 | 0 | 113.2 | |||||
| 196 | D | 27.6 | Very low | 28.2 | Very low | 133 Ų | 133 | 150.6 Ų | 150.6 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | cis | -172.3 | -176 | 46.9 | -125.9 | 5.1 | 0 | 0 | 0 | 112.3 | ||||
| 197 | P | 37.5 | Very low | 28.5 | Very low | 103 Ų | 103 | 150.8 Ų | 150.8 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | -129.1 | 179.7 | -121.4 | 34.3 | -11.4 | 0 | 0 | 0 | 115.1 | |||||
| 198 | C | 23.6 | Very low | 28.5 | Very low | 128 Ų | 128 | 151.2 Ų | 151.2 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -130.8 | 134.6 | 155.9 | -75.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 199 | P | 36.5 | Very low | 28.4 | Very low | 133 Ų | 133 | 149 Ų | 149 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -93.8 | 158.1 | -172.9 | 32.6 | -25.3 | 0 | 0 | 0 | 114.6 | ||||
| 200 | E | 31.8 | Very low | 28.8 | Very low | 186 Ų | 186 | 149.4 Ų | 149.4 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -74.7 | 156.7 | 170.6 | -82 | -145.6 | 143.3 | 0 | 0 | 114.1 | ||||
| 201 | D | 28.6 | Very low | 28.8 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | -164.9 | 137.5 | 142 | -108.9 | -32.8 | 0 | 0 | 0 | 107.4 | ||||
| 202 | G | 31.3 | Very low | 28.8 | Very low | 59 Ų | 59 | 143.6 Ų | 143.6 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | cis | 166.2 | 148.6 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 203 | K | 28.1 | Very low | 28.9 | Very low | 197 Ų | 197 | 147 Ų | 147 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | 72.3 | 141.2 | 150.1 | -108.5 | 170.6 | -179.4 | 162.2 | 0 | 119.1 | ||||
| 204 | R | 29.6 | Very low | 28.9 | Very low | 222 Ų | 222 | 143.3 Ų | 143.3 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | cis | -158.3 | 137.6 | 27.1 | -63.6 | 176.5 | -173.5 | -170 | 0 | 108.7 | ||||
| 205 | R | 25.2 | Very low | 29.3 | Very low | 250 Ų | 250 | 140.4 Ų | 140.4 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | 80.3 | 98.5 | 75.9 | -155.2 | -174 | -110 | -152.2 | -0.3 | 117.4 | |||||
| 206 | G | 25.5 | Very low | 29.4 | Very low | 73 Ų | 73 | 137.7 Ų | 137.7 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | 67.7 | 160.8 | 138.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 207 | P | 33.4 | Very low | 29.3 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | cis | -136.6 | 163.2 | 22.2 | 36.9 | -16.3 | 0 | 0 | 0 | 118.5 | ||||
| 208 | S | 24.2 | Very low | 29.4 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | trans | -69.8 | 161.8 | 164.8 | 40.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 209 | T | 28.2 | Very low | 30.1 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | cis | -178.4 | -174 | 47.6 | -21.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 210 | P | 34 | Very low | 29.9 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | cis | -128.7 | 174 | -10.4 | 39.6 | -20.3 | 0 | 0 | 0 | 115.5 | ||||
| 211 | A | 27.1 | Very low | 30 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -80.1 | 166 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 212 | P | 29.9 | Very low | 30.2 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -115.6 | 139.2 | 139.6 | 34.6 | -24.6 | 0 | 0 | 0 | 111.6 | ||||
| 213 | T | 27.3 | Very low | 30.2 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | trans | -71.8 | 126.3 | 179.6 | -43.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 214 | S | 26.4 | Very low | 30.7 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -147.2 | 129.5 | 140.3 | 71.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 215 | L | 34.4 | Very low | 31.3 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -84 | 122.6 | -175.3 | -150.7 | 83 | 0 | 0 | 0 | 108 | ||||
| 216 | S | 26.3 | Very low | 31.8 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | 169.6 | 134.1 | 140.9 | 38.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 217 | S | 27 | Very low | 32.3 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | trans | 80.6 | 107.9 | 164.1 | -59.2 | 0 | 0 | 0 | 0 | 119.2 | L219 | S217-L219 PolarHBondContact O-N 2.77Š| ||
| 218 | P | 39.3 | Very low | 32.5 | Very low | 134 Ų | 134 | 132 Ų | 132 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | trans | -80.7 | 98.9 | 156.3 | 32.2 | -23.7 | 0 | 0 | 0 | 108 | ||||
| 219 | L | 37.4 | Very low | 32.9 | Very low | 162 Ų | 162 | 136 Ų | 136 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -121.7 | 118.8 | 171.2 | -83.5 | 159.3 | 0 | 0 | 0 | 107.6 | S217 | S217-L219 PolarHBondContact O-N 2.77Š| ||
| 220 | G | 33.1 | Very low | 33.2 | Very low | 57 Ų | 57 | 132.9 Ų | 132.9 | 59% | 0.588 | 75% | 0.751 | S | S | * | * | cis | -177 | 118.7 | 0.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | I222 | G220-I222 PolarHBondContact O-N 3.28Š| ||
| 221 | F | 33.5 | Very low | 33.5 | Very low | 208 Ų | 208 | 134.6 Ų | 134.6 | 91% | 0.912 | 76% | 0.759 | S | S | * | * | trans | -51.1 | 111.5 | 167.8 | -81.1 | -105.8 | 0 | 0 | 0 | 107.7 | P223 | F221-P223 WeakPolarHBondContact O-CD 3.39Å; F221-P223 VanDerWaalsContact O-N 3.11Å | ||
| 222 | I | 32.3 | Very low | 34.3 | Very low | 135 Ų | 135 | 134 Ų | 134 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | trans | -62.2 | 113.7 | 161.1 | -59.8 | 170.8 | 0 | 0 | 0 | 104.8 | G220 R224 | G220-I222 PolarHBondContact O-N 3.28Å; I222-R224 PolarHBondContact O-N 3.22Å | ||
| 223 | P | 31.4 | Very low | 34.5 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 48% | 0.481 | 76% | 0.756 | S | S | . | * | trans | -59.5 | 135 | 178 | -21.9 | 35.6 | 0 | 0 | 0 | 108.2 | F221 Y225 | F221-P223 WeakPolarHBondContact O-CD 3.39Å; F221-P223 VanDerWaalsContact O-N 3.11Å; P223-Y225 HydrophobicContact CB-CD2 3.68Å; P223-Y225 HydrophobicContact CB-CE2 4.38Å; P223-Y225 PolarHBondContact O-N 3.21Å | ||
| 224 | R | 38.9 | Very low | 35 | Very low | 209 Ų | 209 | 131.9 Ų | 131.9 | 79% | 0.789 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -60.3 | 8.6 | -178.1 | -65 | -176.7 | -177.6 | 176.6 | 2.2 | 114.8 | I222 F226 R227 | I222-R224 PolarHBondContact O-N 3.22Å; R224-F226 PolarHBondContact O-N 3.19Å; R224-R227 PolarHBondContact O-N 2.98Å |
| 225 | Y | 42.2 | Very low | 35.2 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 58% | 0.58 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -72.3 | -7.3 | -176.1 | -73.3 | -72.1 | 0 | 0 | 0 | 114.9 | M153 P223 | M153-Y225 HydrophobicContact CE-CD1 3.37Å; M153-Y225 HydrophobicContact CE-CD2 3.98Å; M153-Y225 HydrophobicContact CE-CE1 3.21Å; M153-Y225 HydrophobicContact CE-CE2 3.86Å; M153-Y225 HydrophobicContact CE-CG 3.76Å; M153-Y225 VanDerWaalsContact CE-CZ 3.47Å; M153-Y225 HydrophobicContact SD-CD1 4.47Å; P223-Y225 HydrophobicContact CB-CD2 3.68Å; P223-Y225 HydrophobicContact CB-CE2 4.38Å; P223-Y225 PolarHBondContact O-N 3.21Å |
| 226 | F | 35.2 | Very low | 35.2 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 55% | 0.553 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -108.7 | 20.3 | 171.4 | -79.7 | -80.8 | 0 | 0 | 0 | 114 | L140 R224 | L140-F226 HydrophobicContact CD2-CE2 4.31Å; R224-F226 PolarHBondContact O-N 3.19Å |
| 227 | R | 35.8 | Very low | 35.5 | Very low | 198 Ų | 198 | 131.6 Ų | 131.6 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -92.6 | 116.2 | 164.2 | -81.2 | -174.4 | 180 | -178.9 | 0.3 | 109.7 | R224 M229 | R224-R227 PolarHBondContact O-N 2.98Å; R227-M229 PolarHBondContact O-N 3.05Å |
| 228 | P | 39.4 | Very low | 36.1 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -76.7 | 97.1 | 176.2 | 30.1 | -29.9 | 0 | 0 | 0 | 109.2 | ||||
| 229 | M | 31.4 | Very low | 35.9 | Very low | 192 Ų | 192 | 131 Ų | 131 | 95% | 0.946 | 71% | 0.708 | S | S | * | * | trans | -162.7 | 125.6 | 151.8 | -116.5 | 176.3 | 179.1 | 0 | 0 | 110.7 | R227 | R227-M229 PolarHBondContact O-N 3.05Š| ||
| 230 | G | 34.2 | Very low | 35.8 | Very low | 65 Ų | 65 | 130 Ų | 130 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 100.4 | 101.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 231 | T | 41.3 | Very low | 35.8 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 94% | 0.939 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 40.3 | 100 | 151.5 | 50.1 | 0 | 0 | 0 | 0 | 117.8 | ||
| 232 | G | 43.2 | Very low | 36.1 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 81% | 0.814 | 70% | 0.703 | S | S | * | * | trans | 122.3 | 4.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 233 | S | 33.6 | Very low | 36.6 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | -110.7 | 103 | 175.1 | -164.4 | 0 | 0 | 0 | 0 | 112 | T235 | S233-T235 PolarHBondContact O-N 3.38Š| ||
| 234 | T | 37.5 | Very low | 37.6 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | trans | -82.7 | 97.6 | 172.3 | 1.2 | 0 | 0 | 0 | 0 | 109.3 | I236 | T234-I236 PolarHBondContact O-N 3.01Å; T234-I236 VanDerWaalsContact O-N 3.15Å | ||
| 235 | T | 32.6 | Very low | 38.2 | Very low | 117 Ų | 117 | 137 Ų | 137 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | trans | -72.7 | 102.8 | 169.5 | -51.9 | 0 | 0 | 0 | 0 | 109 | S233 | S233-T235 PolarHBondContact O-N 3.38Š| ||
| 236 | I | 34.2 | Very low | 39.4 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 57% | 0.569 | 72% | 0.718 | S | S | * | * | trans | -85.9 | 119.8 | 175.4 | -54.7 | 176.4 | 0 | 0 | 0 | 108.7 | T234 I238 | T234-I236 PolarHBondContact O-N 3.01Å; T234-I236 VanDerWaalsContact O-N 3.15Å; I236-I238 HydrophobicContact CB-CG1 4.34Å; I236-I238 HydrophobicContact CG2-CD1 4.33Å; I236-I238 HydrophobicContact CG2-CG1 3.6Å; I236-I238 PolarHBondContact O-N 3.27Å; I236-I238 VanDerWaalsContact O-N 3.13Å | ||
| 237 | K | 32.8 | Very low | 41 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | trans | -80.2 | 84.6 | 171.2 | -174.7 | 175.1 | 178.1 | 178.2 | 0 | 109.2 | I239 | K237-I239 HydrophobicContact CD-CD1 4.34Å; K237-I239 HydrophobicContact CG-CD1 4.28Å; K237-I239 HydrophobicContact CG-CG1 4.09Å; K237-I239 PolarHBondContact O-N 3.4Å; K237-I239 VanDerWaalsContact O-N 3.13Å | ||
| 238 | I | 38.9 | Very low | 42.9 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 50% | 0.503 | 68% | 0.678 | S | S | . | * | trans | -83.3 | 85.3 | 171.8 | -46.4 | -178.7 | 0 | 0 | 0 | 108.5 | I236 L240 | I236-I238 HydrophobicContact CB-CG1 4.34Å; I236-I238 HydrophobicContact CG2-CD1 4.33Å; I236-I238 HydrophobicContact CG2-CG1 3.6Å; I236-I238 PolarHBondContact O-N 3.27Å; I236-I238 VanDerWaalsContact O-N 3.13Å; I238-L240 HydrophobicContact CG2-CD1 3.58Å; I238-L240 HydrophobicContact CG2-CG 4.15Å; I238-L240 PolarHBondContact O-N 3.21Å | ||
| 239 | I | 34.4 | Very low | 44.9 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 59% | 0.585 | 66% | 0.664 | S | S | * | * | trans | -79.3 | 102.2 | 158.5 | -64 | 176.6 | 0 | 0 | 0 | 105.6 | K237 K241 | K237-I239 HydrophobicContact CD-CD1 4.34Å; K237-I239 HydrophobicContact CG-CD1 4.28Å; K237-I239 HydrophobicContact CG-CG1 4.09Å; K237-I239 PolarHBondContact O-N 3.4Å; K237-I239 VanDerWaalsContact O-N 3.13Å; I239-K241 PolarHBondContact O-N 3.06Å | ||
| 240 | L | 35.1 | Very low | 46.9 | Very low | 141 Ų | 141 | 115 Ų | 115 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | trans | -67.8 | 87.1 | 167 | -83.9 | 100.1 | 0 | 0 | 0 | 108.7 | I238 | I238-L240 HydrophobicContact CG2-CD1 3.58Å; I238-L240 HydrophobicContact CG2-CG 4.15Å; I238-L240 PolarHBondContact O-N 3.21Å | ||
| 241 | K | 34.1 | Very low | 48.9 | Very low | 186 Ų | 186 | 116.3 Ų | 116.3 | 81% | 0.809 | 62% | 0.618 | S | S | * | * | trans | -169.1 | 132.6 | 146.9 | -109.7 | 164.5 | -179.5 | 179.3 | 0 | 111.6 | I239 | I239-K241 PolarHBondContact O-N 3.06Š| ||
| 242 | E | 39.1 | Very low | 50.3 | Low | 147 Ų | 147 | 112.5 Ų | 112.5 | 69% | 0.687 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 86.6 | 105.6 | 177.9 | -87.3 | 159.8 | -167.6 | 0 | 0 | 117.7 | H244 K373 | E242-H244 PolarHBondContact O-N 3.37Å; E242-K373 IonicContact OE1-NZ 3.9Å; E242-K373 PolarHBondContact OE1-NZ 2.93Å; E242-K373 IonicContact OE2-NZ 2.64Å; E242-K373 PolarHBondContact OE2-NZ 2.93Å |
| 243 | K | 43.4 | Very low | 51.5 | Low | 202 Ų | 202 | 114.1 Ų | 114.1 | 88% | 0.878 | 60% | 0.595 | S | S | * | * | trans | 4.3 | 103 | 169.5 | -68.8 | -177.3 | 176.8 | -178.2 | 0 | 114.4 | K245 | K243-K245 PolarHBondContact O-N 3.15Š| ||
| 244 | H | 52.2 | Low | 53.1 | Low | 169 Ų | 169 | 114.1 Ų | 114.1 | 78% | 0.782 | 59% | 0.591 | S | S | * | * | trans | -46.9 | 95.2 | -175.8 | -59.2 | -79.7 | 0 | 0 | 0 | 113.3 | E242 | E242-H244 PolarHBondContact O-N 3.37Š| ||
| 245 | K | 51.9 | Low | 54.4 | Low | 127 Ų | 127 | 109.6 Ų | 109.6 | 55% | 0.552 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 135.7 | 162 | -65.7 | -173.2 | 176.6 | -179.6 | 0 | 108.7 | K243 H257 D280 | K243-K245 PolarHBondContact O-N 3.15Å; K245-H257 HydrophobicContact CB-CB 3.95Å; K245-H257 HydrophobicContact CD-CB 4.3Å; K245-H257 WeakPolarHBondContact CD-CD2 3.43Å; K245-H257 WeakPolarHBondContact CD-NE2 3.21Å; K245-H257 PolarHBondContact NZ-NE2 2.79Å; K245-D280 WeakPolarHBondContact CA-OD1 3.44Å; K245-D280 WeakPolarHBondContact CB-OD1 3.18Å |
| 246 | K | 67.3 | Low | 55.9 | Low | 150 Ų | 150 | 106.9 Ų | 106.9 | 65% | 0.652 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 145.2 | -174.2 | -60.8 | 174.6 | -175.4 | 175.3 | 0 | 110.5 | D280 G281 | K246-D280 PolarHBondContact N-OD1 3.4Å; K246-D280 CarbonylContact O-C 3.54Å; K246-G281 PolarHBondContact O-N 2.74Å |
| 247 | A | 68.8 | Low | 57.6 | Low | 55 Ų | 55 | 104.9 Ų | 104.9 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 152.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T254 Y255 | A247-T254 HydrophobicContact CB-CG2 3.76Å; A247-Y255 CarbonylContact C-O 3.59Å; A247-Y255 WeakPolarHBondContact CA-O 3.4Å; A247-Y255 WeakPolarHBondContact CB-O 3.48Å |
| 248 | C | 74.6 | Confident | 59.1 | Low | 1 Ų | 1 | 99.6 Ų | 99.6 | 1% | 0.007 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 150.9 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | T254 Y255 W261 C278 G281 Y282 Q283 | C248-T254 CarbonylContact O-C 3.55Å; C248-T254 WeakPolarHBondContact O-CA 3.41Å; C248-Y255 PolarHBondContact N-O 3.45Å; C248-Y255 PolarHBondContact O-N 2.84Å; C248-W261 HydrophobicContact CB-CH2 4.19Å; C248-C278 HydrophobicContact CB-CB 3.68Å; C248-C278 WeakPolarHBondContact CB-SG 3.49Å; C248-C278 PolarHBondContact N-SG 2.87Å; C248-C278 WeakPolarHBondContact SG-CA 3.25Å; C248-C278 WeakPolarHBondContact SG-CB 3.43Å; C248-C278 CovalentContact SG-SG 2.04Å; C248-C278 PolarHBondContact SG-SG 3.07Å; C248-G281 VanDerWaalsContact SG-CA 3.6Å; C248-Y282 PolarHBondContact SG-O 3.47Å; C248-Q283 HydrophobicContact CB-CG 3.73Å |
| 249 | T | 81.4 | Confident | 60 | Low | 85 Ų | 85 | 98.7 Ų | 98.7 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 118.2 | 177.9 | -55.4 | 0 | 0 | 0 | 0 | 111 | K253 Q283 | T249-K253 CarbonylContact C-O 3.53Å; T249-K253 WeakPolarHBondContact CA-O 3.45Å; T249-Q283 PolarHBondContact O-NE2 2.82Å |
| 250 | H | 73.3 | Confident | 61.9 | Low | 37 Ų | 37 | 97 Ų | 97 | 17% | 0.171 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 121.2 | 178.4 | -179.6 | -85 | 0 | 0 | 0 | 110.2 | G252 K253 Y255 W261 P263 Q283 | H250-G252 VanDerWaalsContact C-N 3.28Å; H250-G252 PolarHBondContact O-N 3.34Å; H250-K253 PolarHBondContact N-O 3.23Å; H250-K253 PolarHBondContact O-N 3.48Å; H250-Y255 HydrophobicContact CB-CD2 4.38Å; H250-Y255 HydrophobicContact CB-CE2 3.89Å; H250-W261 HydrophobicContact CB-CZ2 4.18Å; H250-W261 AromaticContact CG-NE1 3.88Å; H250-P263 WeakPolarHBondContact CE1-CB 3.31Å; H250-Q283 PolarHBondContact CD2-OE1 2.84Å |
| 251 | N | 76.2 | Confident | 64 | Low | 92 Ų | 92 | 91 Ų | 91 | 49% | 0.492 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 46.2 | -179.2 | -68 | -13.3 | 0 | 0 | 0 | 114 | K253 T264 | N251-K253 PolarHBondContact O-N 2.89Å; N251-T264 PolarHBondContact ND2-O 3.04Å |
| 252 | G | 72.8 | Confident | 66.1 | Low | 74 Ų | 74 | 86.4 Ų | 86.4 | 76% | 0.763 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 0.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | H250 | H250-G252 VanDerWaalsContact C-N 3.28Å; H250-G252 PolarHBondContact O-N 3.34Å |
| 253 | K | 67.4 | Low | 68.2 | Low | 112 Ų | 112 | 79.6 Ų | 79.6 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134.9 | 171.6 | -64.4 | -178.2 | -179.8 | 179.4 | 0 | 110.1 | T249 H250 N251 Y255 | T249-K253 CarbonylContact C-O 3.53Å; T249-K253 WeakPolarHBondContact CA-O 3.45Å; H250-K253 PolarHBondContact N-O 3.23Å; H250-K253 PolarHBondContact O-N 3.48Å; N251-K253 PolarHBondContact O-N 2.89Å; K253-Y255 HydrophobicContact CB-CE2 3.68Å; K253-Y255 WeakPolarHBondContact O-CE2 3.49Å |
| 254 | T | 66.7 | Low | 70 | Confident | 97 Ų | 97 | 72 Ų | 72 | 60% | 0.595 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 132.6 | 177.1 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | A247 C248 | A247-T254 HydrophobicContact CB-CG2 3.76Å; C248-T254 CarbonylContact O-C 3.55Å; C248-T254 WeakPolarHBondContact O-CA 3.41Å |
| 255 | Y | 66.1 | Low | 71.2 | Confident | 26 Ų | 26 | 66.4 Ų | 66.4 | 10% | 0.102 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.9 | -178.7 | -61.5 | -86.2 | 0 | 0 | 0 | 109.9 | A247 C248 H250 K253 E259 W261 | A247-Y255 CarbonylContact C-O 3.59Å; A247-Y255 WeakPolarHBondContact CA-O 3.4Å; A247-Y255 WeakPolarHBondContact CB-O 3.48Å; C248-Y255 PolarHBondContact N-O 3.45Å; C248-Y255 PolarHBondContact O-N 2.84Å; H250-Y255 HydrophobicContact CB-CD2 4.38Å; H250-Y255 HydrophobicContact CB-CE2 3.89Å; K253-Y255 HydrophobicContact CB-CE2 3.68Å; K253-Y255 WeakPolarHBondContact O-CE2 3.49Å; Y255-E259 WeakPolarHBondContact CA-OE2 3.28Å; Y255-E259 HydrophobicContact CD1-CB 4.45Å; Y255-W261 HydrophobicContact CD1-CB 4.16Å; Y255-W261 AromaticContact CD1-CD2 3.57Å; Y255-W261 HydrophobicContact CD1-CD2 3.57Å; Y255-W261 AromaticContact CD1-CE3 3.35Å; Y255-W261 HydrophobicContact CD1-CE3 3.35Å; Y255-W261 AromaticContact CD1-CG 3.94Å; Y255-W261 HydrophobicContact CD1-CG 3.94Å; Y255-W261 AromaticContact CD1-CZ3 3.96Å; Y255-W261 HydrophobicContact CD1-CZ3 3.96Å; Y255-W261 AromaticContact CD2-CD2 3.92Å; Y255-W261 HydrophobicContact CD2-CD2 3.92Å; Y255-W261 AromaticContact CD2-CE2 3.81Å; Y255-W261 HydrophobicContact CD2-CE3 4.05Å; Y255-W261 HydrophobicContact CD2-CH2 4.04Å; Y255-W261 AromaticContact CD2-CZ2 3.9Å; Y255-W261 HydrophobicContact CD2-CZ2 3.9Å; Y255-W261 HydrophobicContact CD2-CZ3 4.09Å; Y255-W261 HydrophobicContact CE1-CB 3.46Å; Y255-W261 VanDerWaalsContact CE1-CB 3.46Å; Y255-W261 AromaticContact CE1-CD1 3.96Å; Y255-W261 AromaticContact CE1-CD2 3.48Å; Y255-W261 HydrophobicContact CE1-CD2 3.48Å; Y255-W261 VanDerWaalsContact CE1-CD2 3.48Å; Y255-W261 AromaticContact CE1-CE3 3.78Å; Y255-W261 HydrophobicContact CE1-CE3 3.78Å; Y255-W261 AromaticContact CE1-CG 3.34Å; Y255-W261 HydrophobicContact CE1-CG 3.34Å; Y255-W261 AromaticContact CE2-CD2 3.88Å; Y255-W261 HydrophobicContact CE2-CD2 3.88Å; Y255-W261 AromaticContact CE2-CE2 3.72Å; Y255-W261 HydrophobicContact CE2-CE3 4.44Å; Y255-W261 HydrophobicContact CE2-CG 4.11Å; Y255-W261 HydrophobicContact CE2-CZ2 4.19Å; Y255-W261 AromaticContact CE2-NE1 3.82Å; Y255-W261 AromaticContact CG-CD2 3.77Å; Y255-W261 HydrophobicContact CG-CD2 3.77Å; Y255-W261 AromaticContact CG-CE3 3.48Å; Y255-W261 HydrophobicContact CG-CE3 3.48Å; Y255-W261 VanDerWaalsContact CG-CE3 3.48Å; Y255-W261 HydrophobicContact CG-CG 4.5Å; Y255-W261 HydrophobicContact CG-CH2 4.01Å; Y255-W261 HydrophobicContact CG-CZ2 4.25Å; Y255-W261 AromaticContact CG-CZ3 3.6Å; Y255-W261 HydrophobicContact CG-CZ3 3.6Å; Y255-W261 AromaticContact CZ-CD1 3.54Å; Y255-W261 AromaticContact CZ-CD2 3.62Å; Y255-W261 AromaticContact CZ-CE2 3.88Å; Y255-W261 AromaticContact CZ-CG 3.42Å; Y255-W261 VanDerWaalsContact CZ-CG 3.42Å; Y255-W261 AromaticContact CZ-NE1 3.8Å |
| 256 | S | 63.1 | Low | 71.8 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 42% | 0.42 | 40% | 0.396 | S | S | . | . | trans | -74.4 | 157.4 | 176.7 | 75.7 | 0 | 0 | 0 | 0 | 111.6 | G258 E259 C278 | S256-G258 PolarHBondContact O-N 3.39Å; S256-E259 WeakPolarHBondContact CB-OE1 3.04Å; S256-E259 PolarHBondContact N-OE1 2.88Å; S256-E259 PolarHBondContact N-OE2 2.77Å; S256-E259 WeakPolarHBondContact O-CB 3.5Å; S256-E259 PolarHBondContact O-N 2.98Å; S256-E259 VanDerWaalsContact OG-CG 3.28Å; S256-E259 WeakPolarHBondContact OG-CG 3.44Å; S256-E259 PolarHBondContact OG-OE1 2.83Å; S256-C278 VanDerWaalsContact O-CB 3.29Å; S256-C278 WeakPolarHBondContact O-CB 3.03Å | ||
| 257 | H | 69.1 | Low | 71.9 | Confident | 70 Ų | 70 | 66.1 Ų | 66.1 | 32% | 0.324 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 124.9 | 177.5 | 173 | 91.8 | 0 | 0 | 0 | 110.7 | K245 D280 | K245-H257 HydrophobicContact CB-CB 3.95Å; K245-H257 HydrophobicContact CD-CB 4.3Å; K245-H257 WeakPolarHBondContact CD-CD2 3.43Å; K245-H257 WeakPolarHBondContact CD-NE2 3.21Å; K245-H257 PolarHBondContact NZ-NE2 2.79Å; H257-D280 WeakPolarHBondContact ND1-CA 3.29Å; H257-D280 PolarHBondContact ND1-N 2.85Å |
| 258 | G | 64.6 | Low | 71.7 | Confident | 48 Ų | 48 | 71.8 Ų | 71.8 | 50% | 0.495 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | -8.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S256 C278 | S256-G258 PolarHBondContact O-N 3.39Å; G258-C278 PolarHBondContact N-O 2.75Å |
| 259 | E | 57.9 | Low | 71.7 | Confident | 79 Ų | 79 | 73 Ų | 73 | 37% | 0.369 | 43% | 0.425 | S | S | . | . | trans | -70.7 | 144.8 | 174.3 | -79.9 | 175.1 | -162.2 | 0 | 0 | 112.1 | Y255 S256 W261 T277 C278 | Y255-E259 WeakPolarHBondContact CA-OE2 3.28Å; Y255-E259 HydrophobicContact CD1-CB 4.45Å; S256-E259 WeakPolarHBondContact CB-OE1 3.04Å; S256-E259 PolarHBondContact N-OE1 2.88Å; S256-E259 PolarHBondContact N-OE2 2.77Å; S256-E259 WeakPolarHBondContact O-CB 3.5Å; S256-E259 PolarHBondContact O-N 2.98Å; S256-E259 VanDerWaalsContact OG-CG 3.28Å; S256-E259 WeakPolarHBondContact OG-CG 3.44Å; S256-E259 PolarHBondContact OG-OE1 2.83Å; E259-W261 WeakPolarHBondContact O-CZ3 3.44Å; E259-T277 CarbonylContact O-C 3.48Å; E259-T277 VanDerWaalsContact O-CA 3.3Å; E259-T277 WeakPolarHBondContact O-CA 3.4Å; E259-C278 PolarHBondContact O-N 2.84Å | ||
| 260 | V | 74.4 | Confident | 71.3 | Confident | 80 Ų | 80 | 73.2 Ų | 73.2 | 49% | 0.485 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.7 | -178.4 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | L275 C276 T277 | V260-L275 HydrophobicContact CG1-CD1 3.33Å; V260-L275 HydrophobicContact CG1-CD2 3.92Å; V260-L275 HydrophobicContact CG1-CG 3.5Å; V260-C276 CarbonylContact C-O 3.55Å; V260-C276 WeakPolarHBondContact CA-O 3.01Å; V260-C276 WeakPolarHBondContact CG1-O 3.04Å; V260-T277 HydrophobicContact CG2-CG2 4Å |
| 261 | W | 79.7 | Confident | 71.2 | Confident | 15 Ų | 15 | 74.7 Ų | 74.7 | 6% | 0.057 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 158.7 | -179.1 | 69.6 | 97.5 | 0 | 0 | 0 | 113.7 | C248 H250 Y255 E259 C276 C278 Q283 | C248-W261 HydrophobicContact CB-CH2 4.19Å; H250-W261 HydrophobicContact CB-CZ2 4.18Å; H250-W261 AromaticContact CG-NE1 3.88Å; Y255-W261 HydrophobicContact CD1-CB 4.16Å; Y255-W261 AromaticContact CD1-CD2 3.57Å; Y255-W261 HydrophobicContact CD1-CD2 3.57Å; Y255-W261 AromaticContact CD1-CE3 3.35Å; Y255-W261 HydrophobicContact CD1-CE3 3.35Å; Y255-W261 AromaticContact CD1-CG 3.94Å; Y255-W261 HydrophobicContact CD1-CG 3.94Å; Y255-W261 AromaticContact CD1-CZ3 3.96Å; Y255-W261 HydrophobicContact CD1-CZ3 3.96Å; Y255-W261 AromaticContact CD2-CD2 3.92Å; Y255-W261 HydrophobicContact CD2-CD2 3.92Å; Y255-W261 AromaticContact CD2-CE2 3.81Å; Y255-W261 HydrophobicContact CD2-CE3 4.05Å; Y255-W261 HydrophobicContact CD2-CH2 4.04Å; Y255-W261 AromaticContact CD2-CZ2 3.9Å; Y255-W261 HydrophobicContact CD2-CZ2 3.9Å; Y255-W261 HydrophobicContact CD2-CZ3 4.09Å; Y255-W261 HydrophobicContact CE1-CB 3.46Å; Y255-W261 VanDerWaalsContact CE1-CB 3.46Å; Y255-W261 AromaticContact CE1-CD1 3.96Å; Y255-W261 AromaticContact CE1-CD2 3.48Å; Y255-W261 HydrophobicContact CE1-CD2 3.48Å; Y255-W261 VanDerWaalsContact CE1-CD2 3.48Å; Y255-W261 AromaticContact CE1-CE3 3.78Å; Y255-W261 HydrophobicContact CE1-CE3 3.78Å; Y255-W261 AromaticContact CE1-CG 3.34Å; Y255-W261 HydrophobicContact CE1-CG 3.34Å; Y255-W261 AromaticContact CE2-CD2 3.88Å; Y255-W261 HydrophobicContact CE2-CD2 3.88Å; Y255-W261 AromaticContact CE2-CE2 3.72Å; Y255-W261 HydrophobicContact CE2-CE3 4.44Å; Y255-W261 HydrophobicContact CE2-CG 4.11Å; Y255-W261 HydrophobicContact CE2-CZ2 4.19Å; Y255-W261 AromaticContact CE2-NE1 3.82Å; Y255-W261 AromaticContact CG-CD2 3.77Å; Y255-W261 HydrophobicContact CG-CD2 3.77Å; Y255-W261 AromaticContact CG-CE3 3.48Å; Y255-W261 HydrophobicContact CG-CE3 3.48Å; Y255-W261 VanDerWaalsContact CG-CE3 3.48Å; Y255-W261 HydrophobicContact CG-CG 4.5Å; Y255-W261 HydrophobicContact CG-CH2 4.01Å; Y255-W261 HydrophobicContact CG-CZ2 4.25Å; Y255-W261 AromaticContact CG-CZ3 3.6Å; Y255-W261 HydrophobicContact CG-CZ3 3.6Å; Y255-W261 AromaticContact CZ-CD1 3.54Å; Y255-W261 AromaticContact CZ-CD2 3.62Å; Y255-W261 AromaticContact CZ-CE2 3.88Å; Y255-W261 AromaticContact CZ-CG 3.42Å; Y255-W261 VanDerWaalsContact CZ-CG 3.42Å; Y255-W261 AromaticContact CZ-NE1 3.8Å; E259-W261 WeakPolarHBondContact O-CZ3 3.44Å; W261-C276 HydrophobicContact CD2-CB 3.83Å; W261-C276 HydrophobicContact CE3-CB 4.33Å; W261-C276 HydrophobicContact CG-CB 4.32Å; W261-C276 HydrophobicContact CH2-CB 4.09Å; W261-C276 HydrophobicContact CZ2-CB 3.54Å; W261-C276 HydrophobicContact CZ3-CB 4.45Å; W261-C276 PolarHBondContact N-O 3.43Å; W261-C276 PolarHBondContact O-N 2.05Å; W261-C278 HydrophobicContact CH2-CB 4.05Å; W261-C278 HydrophobicContact CZ3-CB 3.76Å; W261-C278 VanDerWaalsContact CZ3-N 3.33Å; W261-Q283 HydrophobicContact CH2-CG 4.07Å; W261-Q283 HydrophobicContact CZ2-CG 4.04Å |
| 262 | H | 78.3 | Confident | 71.1 | Confident | 88 Ų | 88 | 72 Ų | 72 | 41% | 0.407 | 42% | 0.423 | S | S | . | . | trans | -91.7 | 123.8 | 165.2 | -59.6 | 91.8 | 0 | 0 | 0 | 108.7 | P272 I274 | H262-P272 PolarHBondContact CD2-O 2.86Å; H262-P272 VanDerWaalsContact CD2-O 3.28Å; H262-P272 PolarHBondContact NE2-O 3.06Å; H262-I274 WeakPolarHBondContact CA-O 3.03Å; H262-I274 PolarHBondContact CD2-O 2.89Å | ||
| 263 | P | 82.3 | Confident | 71.4 | Confident | 4 Ų | 4 | 70 Ų | 70 | 3% | 0.026 | 40% | 0.397 | C | S | . | . | trans | -66 | 143.4 | 179.6 | 27.2 | -32.5 | 0 | 0 | 0 | 110.3 | H250 M271 I274 | H250-P263 WeakPolarHBondContact CE1-CB 3.31Å; P263-M271 HydrophobicContact CB-CE 4.08Å; P263-M271 HydrophobicContact CG-CB 4.42Å; P263-M271 HydrophobicContact CG-CE 3.59Å; P263-M271 PolarHBondContact O-N 3.48Å; P263-I274 WeakPolarHBondContact CD-O 3.47Å; P263-I274 HydrophobicContact CG-CB 3.8Å; P263-I274 HydrophobicContact CG-CG2 3.57Å | ||
| 264 | T | 81.5 | Confident | 71.9 | Confident | 42 Ų | 42 | 66.7 Ų | 66.7 | 26% | 0.258 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.6 | 176.7 | 40.8 | 0 | 0 | 0 | 0 | 108.3 | N251 G269 P270 | N251-T264 PolarHBondContact ND2-O 3.04Å; T264-G269 WeakPolarHBondContact CA-O 3.29Å; T264-P270 HydrophobicContact CG2-CB 3.89Å |
| 265 | V | 77.2 | Confident | 72.6 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 32% | 0.315 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 131.7 | 174.3 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | S267 F268 G269 M271 | V265-S267 PolarHBondContact O-N 2.64Å; V265-F268 HydrophobicContact CB-CB 4.27Å; V265-F268 HydrophobicContact CG1-CD2 3.98Å; V265-F268 PolarHBondContact O-N 3.05Å; V265-G269 PolarHBondContact N-O 3.18Å; V265-G269 PolarHBondContact O-N 2.85Å; V265-M271 HydrophobicContact CG2-CE 3.49Å; V265-M271 VanDerWaalsContact CG2-CE 3.49Å; V265-M271 HydrophobicContact CG2-CG 4.13Å; V265-M271 HydrophobicContact CG2-SD 3.68Å |
| 266 | L | 65.9 | Low | 73.2 | Confident | 175 Ų | 175 | 63 Ų | 63 | 92% | 0.916 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -28.3 | -170.2 | -71.5 | 163 | 0 | 0 | 0 | 114.3 | ||
| 267 | S | 69.4 | Low | 73.7 | Confident | 96 Ų | 96 | 61.7 Ų | 61.7 | 67% | 0.671 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -13.4 | -180 | 39.9 | 0 | 0 | 0 | 0 | 115.5 | V265 | V265-S267 PolarHBondContact O-N 2.64Š|
| 268 | F | 64.6 | Low | 74.1 | Confident | 174 Ų | 174 | 58.3 Ų | 58.3 | 76% | 0.763 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.6 | -2.8 | -172.9 | -64.2 | -82.8 | 0 | 0 | 0 | 114 | V265 | V265-F268 HydrophobicContact CB-CB 4.27Å; V265-F268 HydrophobicContact CG1-CD2 3.98Å; V265-F268 PolarHBondContact O-N 3.05Å |
| 269 | G | 73.1 | Confident | 74.7 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.7 | -163.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T264 V265 M271 | T264-G269 WeakPolarHBondContact CA-O 3.29Å; V265-G269 PolarHBondContact N-O 3.18Å; V265-G269 PolarHBondContact O-N 2.85Å; G269-M271 PolarHBondContact O-N 2.88Å |
| 270 | P | 72.8 | Confident | 75.5 | Confident | 89 Ų | 89 | 59.3 Ų | 59.3 | 58% | 0.578 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 133.1 | 178.8 | 26.7 | -32.1 | 0 | 0 | 0 | 110.4 | T264 P272 | T264-P270 HydrophobicContact CG2-CB 3.89Å; P270-P272 WeakPolarHBondContact O-CD 3.24Å |
| 271 | M | 72.5 | Confident | 75.5 | Confident | 68 Ų | 68 | 57 Ų | 57 | 34% | 0.335 | 33% | 0.328 | S | S | . | . | trans | -90.9 | 94.8 | 174.5 | -66 | -166.6 | -69.5 | 0 | 0 | 109.3 | P263 V265 G269 C273 I274 | P263-M271 HydrophobicContact CB-CE 4.08Å; P263-M271 HydrophobicContact CG-CB 4.42Å; P263-M271 HydrophobicContact CG-CE 3.59Å; P263-M271 PolarHBondContact O-N 3.48Å; V265-M271 HydrophobicContact CG2-CE 3.49Å; V265-M271 VanDerWaalsContact CG2-CE 3.49Å; V265-M271 HydrophobicContact CG2-CG 4.13Å; V265-M271 HydrophobicContact CG2-SD 3.68Å; G269-M271 PolarHBondContact O-N 2.88Å; M271-C273 PolarHBondContact O-N 2.98Å; M271-C273 VanDerWaalsContact O-N 3.08Å; M271-I274 HydrophobicContact CB-CB 4.32Å; M271-I274 HydrophobicContact CB-CG1 4.22Å; M271-I274 HydrophobicContact CE-CG1 4.31Å; M271-I274 PolarHBondContact O-N 3.45Å; M271-I274 HydrophobicContact SD-CG1 4.47Å | ||
| 272 | P | 73.8 | Confident | 75.5 | Confident | 35 Ų | 35 | 63.9 Ų | 63.9 | 23% | 0.227 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -16 | -172.7 | 30.6 | -38.8 | 0 | 0 | 0 | 113 | H262 P270 G304 C306 | H262-P272 PolarHBondContact CD2-O 2.86Å; H262-P272 VanDerWaalsContact CD2-O 3.28Å; H262-P272 PolarHBondContact NE2-O 3.06Å; P270-P272 WeakPolarHBondContact O-CD 3.24Å; P272-G304 WeakPolarHBondContact CB-O 2.96Å; P272-C306 HydrophobicContact CB-CB 4.43Å; P272-C306 WeakPolarHBondContact O-CB 3.07Å |
| 273 | C | 78.4 | Confident | 75.6 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 21% | 0.209 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 5.5 | 179.9 | -68.7 | 0 | 0 | 0 | 0 | 114.7 | M271 R287 V288 C306 | M271-C273 PolarHBondContact O-N 2.98Å; M271-C273 VanDerWaalsContact O-N 3.08Å; C273-R287 CarbonylContact O-C 3.51Å; C273-R287 WeakPolarHBondContact O-CA 3.26Å; C273-V288 PolarHBondContact O-N 3.46Å; C273-C306 WeakPolarHBondContact CA-SG 2.99Å; C273-C306 HydrophobicContact CB-CB 3.96Å; C273-C306 WeakPolarHBondContact CB-SG 3.38Å; C273-C306 WeakPolarHBondContact SG-CA 3.31Å; C273-C306 WeakPolarHBondContact SG-CB 3.22Å; C273-C306 CovalentContact SG-SG 2.04Å; C273-C306 PolarHBondContact SG-SG 2.05Å |
| 274 | I | 79.1 | Confident | 75.6 | Confident | 44 Ų | 44 | 66 Ų | 66 | 23% | 0.226 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.8 | 173.1 | -57.4 | -63.7 | 0 | 0 | 0 | 107.4 | H262 P263 M271 C285 R287 | H262-I274 WeakPolarHBondContact CA-O 3.03Å; H262-I274 PolarHBondContact CD2-O 2.89Å; P263-I274 WeakPolarHBondContact CD-O 3.47Å; P263-I274 HydrophobicContact CG-CB 3.8Å; P263-I274 HydrophobicContact CG-CG2 3.57Å; M271-I274 HydrophobicContact CB-CB 4.32Å; M271-I274 HydrophobicContact CB-CG1 4.22Å; M271-I274 HydrophobicContact CE-CG1 4.31Å; M271-I274 PolarHBondContact O-N 3.45Å; M271-I274 HydrophobicContact SD-CG1 4.47Å; I274-C285 HydrophobicContact CG2-CB 4.35Å; I274-R287 HydrophobicContact CD1-CB 4.15Å; I274-R287 HydrophobicContact CD1-CG 4.21Å |
| 275 | L | 80.2 | Confident | 75.5 | Confident | 43 Ų | 43 | 66.9 Ų | 66.9 | 23% | 0.225 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121 | 179.6 | -167.5 | 67.7 | 0 | 0 | 0 | 108.8 | V260 C285 H286 V288 | V260-L275 HydrophobicContact CG1-CD1 3.33Å; V260-L275 HydrophobicContact CG1-CD2 3.92Å; V260-L275 HydrophobicContact CG1-CG 3.5Å; L275-C285 WeakPolarHBondContact O-CA 3.45Å; L275-H286 PolarHBondContact N-O 3.42Å; L275-H286 PolarHBondContact O-N 3.31Å; L275-H286 PolarHBondContact O-ND1 3.28Å; L275-V288 HydrophobicContact CB-CG2 4.14Å |
| 276 | C | 78.9 | Confident | 75.6 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.007 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.4 | 179.8 | -65.3 | 0 | 0 | 0 | 0 | 110.4 | V260 W261 D284 C285 | V260-C276 CarbonylContact C-O 3.55Å; V260-C276 WeakPolarHBondContact CA-O 3.01Å; V260-C276 WeakPolarHBondContact CG1-O 3.04Å; W261-C276 HydrophobicContact CD2-CB 3.83Å; W261-C276 HydrophobicContact CE3-CB 4.33Å; W261-C276 HydrophobicContact CG-CB 4.32Å; W261-C276 HydrophobicContact CH2-CB 4.09Å; W261-C276 HydrophobicContact CZ2-CB 3.54Å; W261-C276 HydrophobicContact CZ3-CB 4.45Å; W261-C276 PolarHBondContact N-O 3.43Å; W261-C276 PolarHBondContact O-N 2.05Å; C276-D284 CarbonylContact C-O 3.53Å; C276-D284 VanDerWaalsContact CA-O 3.3Å; C276-D284 WeakPolarHBondContact CA-O 3.09Å; C276-C285 HydrophobicContact CB-CB 4.11Å; C276-C285 WeakPolarHBondContact CB-SG 3.01Å; C276-C285 WeakPolarHBondContact SG-CB 3.35Å; C276-C285 CovalentContact SG-SG 2.04Å; C276-C285 PolarHBondContact SG-SG 3.45Å |
| 277 | T | 73.6 | Confident | 75.8 | Confident | 33 Ų | 33 | 69.5 Ų | 69.5 | 20% | 0.202 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.5 | 176.2 | -54.4 | 0 | 0 | 0 | 0 | 109.9 | E259 V260 V279 D284 | E259-T277 CarbonylContact O-C 3.48Å; E259-T277 VanDerWaalsContact O-CA 3.3Å; E259-T277 WeakPolarHBondContact O-CA 3.4Å; V260-T277 HydrophobicContact CG2-CG2 4Å; T277-V279 HydrophobicContact CG2-CG2 4.3Å; T277-D284 PolarHBondContact N-O 3.13Å; T277-D284 PolarHBondContact O-N 2.91Å |
| 278 | C | 77 | Confident | 76 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 113.4 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 111 | C248 S256 G258 E259 W261 | C248-C278 HydrophobicContact CB-CB 3.68Å; C248-C278 WeakPolarHBondContact CB-SG 3.49Å; C248-C278 PolarHBondContact N-SG 2.87Å; C248-C278 WeakPolarHBondContact SG-CA 3.25Å; C248-C278 WeakPolarHBondContact SG-CB 3.43Å; C248-C278 CovalentContact SG-SG 2.04Å; C248-C278 PolarHBondContact SG-SG 3.07Å; S256-C278 VanDerWaalsContact O-CB 3.29Å; S256-C278 WeakPolarHBondContact O-CB 3.03Å; G258-C278 PolarHBondContact N-O 2.75Å; E259-C278 PolarHBondContact O-N 2.84Å; W261-C278 HydrophobicContact CH2-CB 4.05Å; W261-C278 HydrophobicContact CZ3-CB 3.76Å; W261-C278 VanDerWaalsContact CZ3-N 3.33Å |
| 279 | V | 77.3 | Confident | 76.6 | Confident | 69 Ų | 69 | 64.9 Ų | 64.9 | 42% | 0.418 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 86 | 178.2 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | T277 G281 Y282 D284 | T277-V279 HydrophobicContact CG2-CG2 4.3Å; V279-G281 PolarHBondContact O-N 2.78Å; V279-Y282 PolarHBondContact N-O 3.25Å; V279-Y282 WeakPolarHBondContact O-CB 3.39Å; V279-Y282 PolarHBondContact O-N 3.08Å; V279-D284 HydrophobicContact CG2-CB 4.34Å |
| 280 | D | 75.4 | Confident | 76.7 | Confident | 79 Ų | 79 | 65.5 Ų | 65.5 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 49.4 | 170.2 | -165.7 | 20.7 | 0 | 0 | 0 | 112.2 | K245 K246 H257 Y282 | K245-D280 WeakPolarHBondContact CA-OD1 3.44Å; K245-D280 WeakPolarHBondContact CB-OD1 3.18Å; K246-D280 PolarHBondContact N-OD1 3.4Å; K246-D280 CarbonylContact O-C 3.54Å; H257-D280 WeakPolarHBondContact ND1-CA 3.29Å; H257-D280 PolarHBondContact ND1-N 2.85Å; D280-Y282 VanDerWaalsContact C-N 3.26Å; D280-Y282 PolarHBondContact O-N 3.24Å |
| 281 | G | 74.2 | Confident | 77 | Confident | 32 Ų | 32 | 64.8 Ų | 64.8 | 33% | 0.33 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -11.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K246 C248 V279 | K246-G281 PolarHBondContact O-N 2.74Å; C248-G281 VanDerWaalsContact SG-CA 3.6Å; V279-G281 PolarHBondContact O-N 2.78Å |
| 282 | Y | 80.2 | Confident | 77.1 | Confident | 159 Ų | 159 | 68.1 Ų | 68.1 | 62% | 0.624 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 134.2 | 173.7 | -176.9 | -101.1 | 0 | 0 | 0 | 111.6 | C248 V279 D280 D284 | C248-Y282 PolarHBondContact SG-O 3.47Å; V279-Y282 PolarHBondContact N-O 3.25Å; V279-Y282 WeakPolarHBondContact O-CB 3.39Å; V279-Y282 PolarHBondContact O-N 3.08Å; D280-Y282 VanDerWaalsContact C-N 3.26Å; D280-Y282 PolarHBondContact O-N 3.24Å; Y282-D284 HydrophobicContact CD1-CB 4.2Å; Y282-D284 HydrophobicContact CE1-CB 4.06Å |
| 283 | Q | 80.3 | Confident | 77.1 | Confident | 61 Ų | 61 | 74.5 Ų | 74.5 | 29% | 0.285 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 109.8 | 175.7 | -66.6 | 175.3 | 55.5 | 0 | 0 | 109.2 | C248 T249 H250 W261 | C248-Q283 HydrophobicContact CB-CG 3.73Å; T249-Q283 PolarHBondContact O-NE2 2.82Å; H250-Q283 PolarHBondContact CD2-OE1 2.84Å; W261-Q283 HydrophobicContact CH2-CG 4.07Å; W261-Q283 HydrophobicContact CZ2-CG 4.04Å |
| 284 | D | 81.6 | Confident | 76.7 | Confident | 76 Ų | 76 | 75.4 Ų | 75.4 | 41% | 0.406 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 106.2 | 176 | -175.9 | 35.2 | 0 | 0 | 0 | 109.7 | C276 T277 V279 Y282 | C276-D284 CarbonylContact C-O 3.53Å; C276-D284 VanDerWaalsContact CA-O 3.3Å; C276-D284 WeakPolarHBondContact CA-O 3.09Å; T277-D284 PolarHBondContact N-O 3.13Å; T277-D284 PolarHBondContact O-N 2.91Å; V279-D284 HydrophobicContact CG2-CB 4.34Å; Y282-D284 HydrophobicContact CD1-CB 4.2Å; Y282-D284 HydrophobicContact CE1-CB 4.06Å |
| 285 | C | 80.8 | Confident | 76.4 | Confident | 60 Ų | 60 | 78.8 Ų | 78.8 | 41% | 0.405 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.1 | -175.9 | -60.4 | 0 | 0 | 0 | 0 | 111 | I274 L275 C276 | I274-C285 HydrophobicContact CG2-CB 4.35Å; L275-C285 WeakPolarHBondContact O-CA 3.45Å; C276-C285 HydrophobicContact CB-CB 4.11Å; C276-C285 WeakPolarHBondContact CB-SG 3.01Å; C276-C285 WeakPolarHBondContact SG-CB 3.35Å; C276-C285 CovalentContact SG-SG 2.04Å; C276-C285 PolarHBondContact SG-SG 3.45Å |
| 286 | H | 78 | Confident | 76.3 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 43% | 0.426 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 158.3 | 176 | 61.9 | -81.6 | 0 | 0 | 0 | 111.5 | L275 | L275-H286 PolarHBondContact N-O 3.42Å; L275-H286 PolarHBondContact O-N 3.31Å; L275-H286 PolarHBondContact O-ND1 3.28Å |
| 287 | R | 70.2 | Confident | 76.3 | Confident | 189 Ų | 189 | 84.6 Ų | 84.6 | 71% | 0.713 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 132.1 | 176.3 | -171.6 | 178.2 | -176.7 | 125.8 | -1.8 | 109.8 | C273 I274 T289 | C273-R287 CarbonylContact O-C 3.51Å; C273-R287 WeakPolarHBondContact O-CA 3.26Å; I274-R287 HydrophobicContact CD1-CB 4.15Å; I274-R287 HydrophobicContact CD1-CG 4.21Å; R287-T289 PolarHBondContact O-N 2.04Å |
| 288 | V | 74.7 | Confident | 76.6 | Confident | 44 Ų | 44 | 90.1 Ų | 90.1 | 27% | 0.267 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 119 | 171 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | C273 L275 C306 | C273-V288 PolarHBondContact O-N 3.46Å; L275-V288 HydrophobicContact CB-CG2 4.14Å; V288-C306 HydrophobicContact CB-CB 4.43Å; V288-C306 HydrophobicContact CG1-CB 4.24Å |
| 289 | T | 76.5 | Confident | 76.9 | Confident | 130 Ų | 130 | 91.7 Ų | 91.7 | 80% | 0.798 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -91 | 120.3 | 175.6 | -57.5 | 0 | 0 | 0 | 0 | 109.3 | R287 | R287-T289 PolarHBondContact O-N 2.04Š|
| 290 | C | 74.9 | Confident | 77 | Confident | 41 Ų | 41 | 94.2 Ų | 94.2 | 28% | 0.277 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 150 | 178.4 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | C307 | C290-C307 WeakPolarHBondContact CA-SG 3.07Å; C290-C307 HydrophobicContact CB-CB 3.88Å; C290-C307 WeakPolarHBondContact CB-SG 3.05Å; C290-C307 WeakPolarHBondContact SG-CA 3.4Å; C290-C307 WeakPolarHBondContact SG-CB 3.26Å; C290-C307 CovalentContact SG-SG 2.05Å; C290-C307 PolarHBondContact SG-SG 3.15Å |
| 291 | P | 78.5 | Confident | 77.5 | Confident | 73 Ų | 73 | 96.4 Ų | 96.4 | 47% | 0.474 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 143.8 | 175 | 27.3 | -33.5 | 0 | 0 | 0 | 110.5 | Y294 | P291-Y294 HydrophobicContact CG-CD1 4.36Å; P291-Y294 HydrophobicContact CG-CE1 3.72Å; P291-Y294 HydrophobicContact CG-CE2 4.31Å; P291-Y294 WeakPolarHBondContact O-CE2 3.34Å |
| 292 | T | 75.2 | Confident | 77.8 | Confident | 138 Ų | 138 | 97.7 Ų | 97.7 | 85% | 0.847 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -80.7 | -23.1 | 176.1 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 293 | Q | 73.6 | Confident | 77.7 | Confident | 169 Ų | 169 | 94.9 Ų | 94.9 | 79% | 0.79 | 52% | 0.521 | S | S | * | . | trans | -118.2 | 133.1 | 179 | -60.2 | -174.5 | 53.2 | 0 | 0 | 109.8 | ||||
| 294 | Y | 70.5 | Confident | 77.3 | Confident | 51 Ų | 51 | 95 Ų | 95 | 20% | 0.2 | 54% | 0.54 | C | S | . | . | trans | -118.7 | 150.7 | -179.7 | -73.6 | -89.1 | 0 | 0 | 0 | 109.8 | P291 C296 P299 C307 K308 | P291-Y294 HydrophobicContact CG-CD1 4.36Å; P291-Y294 HydrophobicContact CG-CE1 3.72Å; P291-Y294 HydrophobicContact CG-CE2 4.31Å; P291-Y294 WeakPolarHBondContact O-CE2 3.34Å; Y294-C296 PolarHBondContact O-N 3.13Å; Y294-P299 HydrophobicContact CD1-CB 4.11Å; Y294-P299 HydrophobicContact CD2-CB 3.9Å; Y294-P299 HydrophobicContact CD2-CG 3.84Å; Y294-P299 HydrophobicContact CG-CB 3.65Å; Y294-P299 HydrophobicContact CG-CG 3.98Å; Y294-C307 WeakPolarHBondContact OH-CB 3.33Å; Y294-K308 HydrophobicContact CE1-CB 4.02Å; Y294-K308 WeakPolarHBondContact CE1-O 3.19Å; Y294-K308 HydrophobicContact CE2-CB 4.18Å; Y294-K308 HydrophobicContact CE2-CD 4.25Å; Y294-K308 PolarHBondContact OH-N 3.22Å | ||
| 295 | P | 73.1 | Confident | 77.1 | Confident | 115 Ų | 115 | 97.4 Ų | 97.4 | 75% | 0.747 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -71.3 | 3.1 | -175.8 | 28.6 | -34.9 | 0 | 0 | 0 | 114.6 | ||
| 296 | C | 77.3 | Confident | 77.1 | Confident | 38 Ų | 38 | 95.4 Ų | 95.4 | 26% | 0.257 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -129.2 | 153.7 | 177.5 | 61 | 0 | 0 | 0 | 0 | 110.7 | Y294 Q298 C310 | Y294-C296 PolarHBondContact O-N 3.13Å; C296-Q298 VanDerWaalsContact C-N 3.26Å; C296-Q298 PolarHBondContact O-N 2.05Å; C296-C310 HydrophobicContact CB-CB 3.6Å; C296-C310 WeakPolarHBondContact CB-SG 3.39Å; C296-C310 PolarHBondContact N-SG 3.31Å; C296-C310 VanDerWaalsContact N-SG 3.4Å; C296-C310 WeakPolarHBondContact SG-CA 3.09Å; C296-C310 WeakPolarHBondContact SG-CB 3.35Å; C296-C310 CovalentContact SG-SG 2.03Å; C296-C310 PolarHBondContact SG-SG 2.86Å |
| 297 | S | 79.7 | Confident | 77.3 | Confident | 128 Ų | 128 | 92.6 Ų | 92.6 | 90% | 0.895 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -64.9 | -28.9 | 179.6 | -48.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 298 | Q | 79 | Confident | 77.9 | Confident | 148 Ų | 148 | 88.4 Ų | 88.4 | 69% | 0.692 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -131.1 | 76.6 | -175.9 | -67.2 | -172.8 | -11.4 | 0 | 0 | 112.1 | C296 K300 | C296-Q298 VanDerWaalsContact C-N 3.26Å; C296-Q298 PolarHBondContact O-N 2.05Å; Q298-K300 PolarHBondContact O-N 3.43Å |
| 299 | P | 83.1 | Confident | 78.2 | Confident | 33 Ų | 33 | 90 Ų | 90 | 21% | 0.214 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -69 | 124 | 176 | 29.5 | -35 | 0 | 0 | 0 | 110.4 | Y294 K308 I309 | Y294-P299 HydrophobicContact CD1-CB 4.11Å; Y294-P299 HydrophobicContact CD2-CB 3.9Å; Y294-P299 HydrophobicContact CD2-CG 3.84Å; Y294-P299 HydrophobicContact CG-CB 3.65Å; Y294-P299 HydrophobicContact CG-CG 3.98Å; P299-K308 HydrophobicContact CB-CB 3.74Å; P299-K308 HydrophobicContact CB-CD 3.98Å; P299-K308 HydrophobicContact CG-CD 3.95Å; P299-I309 CarbonylContact C-O 3.53Å; P299-I309 WeakPolarHBondContact CA-O 3.12Å |
| 300 | K | 81.3 | Confident | 78.4 | Confident | 122 Ų | 122 | 85.8 Ų | 85.8 | 53% | 0.53 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 139.4 | -177.2 | -65.4 | -172.2 | -175.3 | 171.4 | 0 | 111.5 | Q298 K308 I309 P311 | Q298-K300 PolarHBondContact O-N 3.43Å; K300-K308 CarbonylContact O-C 3.43Å; K300-K308 VanDerWaalsContact O-CA 3.31Å; K300-K308 WeakPolarHBondContact O-CA 3.06Å; K300-I309 PolarHBondContact N-O 2.98Å; K300-I309 PolarHBondContact O-N 3.42Å; K300-P311 HydrophobicContact CD-CG 3.9Å; K300-P311 HydrophobicContact CG-CG 4.21Å |
| 301 | K | 84.6 | Confident | 78.5 | Confident | 126 Ų | 126 | 86.7 Ų | 86.7 | 55% | 0.548 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 118.2 | 175 | -179.6 | 60.8 | 168.3 | 172.9 | 0 | 109.3 | K305 C306 K308 | K301-K305 PolarHBondContact NZ-O 3.16Å; K301-C306 VanDerWaalsContact NZ-C 3.33Å; K301-C306 PolarHBondContact NZ-O 2.85Å; K301-K308 HydrophobicContact CB-CG 4.48Å |
| 302 | V | 81.4 | Confident | 77.9 | Confident | 59 Ų | 59 | 90.4 Ų | 90.4 | 36% | 0.358 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -103.2 | 142.7 | 178.7 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | K305 I309 | V302-K305 HydrophobicContact CB-CG 4.41Å; V302-K305 HydrophobicContact CG1-CG 4.4Å; V302-K305 PolarHBondContact O-N 2.58Å; V302-I309 HydrophobicContact CB-CD1 4.24Å; V302-I309 HydrophobicContact CB-CG1 4.44Å; V302-I309 HydrophobicContact CG2-CD1 3.47Å; V302-I309 VanDerWaalsContact CG2-CD1 3.47Å; V302-I309 HydrophobicContact CG2-CG1 3.62Å |
| 303 | A | 78.1 | Confident | 77 | Confident | 99 Ų | 99 | 92.8 Ų | 92.8 | 82% | 0.818 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 137 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K305 | A303-K305 PolarHBondContact O-N 2.66Š|
| 304 | G | 71.9 | Confident | 75.6 | Confident | 65 Ų | 65 | 93.8 Ų | 93.8 | 67% | 0.67 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | -3.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | P272 | P272-G304 WeakPolarHBondContact CB-O 2.96Š|
| 305 | K | 76 | Confident | 73.9 | Confident | 126 Ų | 126 | 96.2 Ų | 96.2 | 55% | 0.548 | 55% | 0.545 | S | S | . | . | trans | -103.1 | 142.4 | 173.8 | -60.9 | -64.3 | -174.9 | 177.9 | 0 | 110.8 | K301 V302 A303 | K301-K305 PolarHBondContact NZ-O 3.16Å; V302-K305 HydrophobicContact CB-CG 4.41Å; V302-K305 HydrophobicContact CG1-CG 4.4Å; V302-K305 PolarHBondContact O-N 2.58Å; A303-K305 PolarHBondContact O-N 2.66Å | ||
| 306 | C | 82.1 | Confident | 72.2 | Confident | 18 Ų | 18 | 98.3 Ų | 98.3 | 12% | 0.122 | 55% | 0.549 | C | S | . | . | S | Bend | trans | -71.9 | -46.7 | 175.6 | -177.9 | 0 | 0 | 0 | 0 | 112.4 | P272 C273 V288 K301 | P272-C306 HydrophobicContact CB-CB 4.43Å; P272-C306 WeakPolarHBondContact O-CB 3.07Å; C273-C306 WeakPolarHBondContact CA-SG 2.99Å; C273-C306 HydrophobicContact CB-CB 3.96Å; C273-C306 WeakPolarHBondContact CB-SG 3.38Å; C273-C306 WeakPolarHBondContact SG-CA 3.31Å; C273-C306 WeakPolarHBondContact SG-CB 3.22Å; C273-C306 CovalentContact SG-SG 2.04Å; C273-C306 PolarHBondContact SG-SG 2.05Å; V288-C306 HydrophobicContact CB-CB 4.43Å; V288-C306 HydrophobicContact CG1-CB 4.24Å; K301-C306 VanDerWaalsContact NZ-C 3.33Å; K301-C306 PolarHBondContact NZ-O 2.85Å |
| 307 | C | 81.4 | Confident | 70.6 | Confident | 32 Ų | 32 | 101.1 Ų | 101.1 | 22% | 0.216 | 58% | 0.576 | C | S | . | * | S | Bend | trans | -98.2 | 159.6 | -175.5 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | C290 Y294 | C290-C307 WeakPolarHBondContact CA-SG 3.07Å; C290-C307 HydrophobicContact CB-CB 3.88Å; C290-C307 WeakPolarHBondContact CB-SG 3.05Å; C290-C307 WeakPolarHBondContact SG-CA 3.4Å; C290-C307 WeakPolarHBondContact SG-CB 3.26Å; C290-C307 CovalentContact SG-SG 2.05Å; C290-C307 PolarHBondContact SG-SG 3.15Å; Y294-C307 WeakPolarHBondContact OH-CB 3.33Å |
| 308 | K | 82.9 | Confident | 68.6 | Low | 102 Ų | 102 | 102.4 Ų | 102.4 | 44% | 0.443 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.1 | 154.5 | 172.2 | -58.4 | 174.2 | 178.6 | -178.6 | 0 | 109.2 | Y294 P299 K300 K301 | Y294-K308 HydrophobicContact CE1-CB 4.02Å; Y294-K308 WeakPolarHBondContact CE1-O 3.19Å; Y294-K308 HydrophobicContact CE2-CB 4.18Å; Y294-K308 HydrophobicContact CE2-CD 4.25Å; Y294-K308 PolarHBondContact OH-N 3.22Å; P299-K308 HydrophobicContact CB-CB 3.74Å; P299-K308 HydrophobicContact CB-CD 3.98Å; P299-K308 HydrophobicContact CG-CD 3.95Å; K300-K308 CarbonylContact O-C 3.43Å; K300-K308 VanDerWaalsContact O-CA 3.31Å; K300-K308 WeakPolarHBondContact O-CA 3.06Å; K301-K308 HydrophobicContact CB-CG 4.48Å |
| 309 | I | 82.2 | Confident | 67.2 | Low | 78 Ų | 78 | 104 Ų | 104 | 40% | 0.4 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.1 | 154.4 | 174.6 | 68.3 | 169.8 | 0 | 0 | 0 | 109.5 | P299 K300 V302 P311 | P299-I309 CarbonylContact C-O 3.53Å; P299-I309 WeakPolarHBondContact CA-O 3.12Å; K300-I309 PolarHBondContact N-O 2.98Å; K300-I309 PolarHBondContact O-N 3.42Å; V302-I309 HydrophobicContact CB-CD1 4.24Å; V302-I309 HydrophobicContact CB-CG1 4.44Å; V302-I309 HydrophobicContact CG2-CD1 3.47Å; V302-I309 VanDerWaalsContact CG2-CD1 3.47Å; V302-I309 HydrophobicContact CG2-CG1 3.62Å; I309-P311 WeakPolarHBondContact O-CD 3.43Å |
| 310 | C | 78.8 | Confident | 65 | Low | 41 Ų | 41 | 108 Ų | 108 | 28% | 0.277 | 61% | 0.608 | S | S | . | * | trans | -89.3 | 113.5 | 170.4 | -67.5 | 0 | 0 | 0 | 0 | 107.8 | C296 E312 | C296-C310 HydrophobicContact CB-CB 3.6Å; C296-C310 WeakPolarHBondContact CB-SG 3.39Å; C296-C310 PolarHBondContact N-SG 3.31Å; C296-C310 VanDerWaalsContact N-SG 3.4Å; C296-C310 WeakPolarHBondContact SG-CA 3.09Å; C296-C310 WeakPolarHBondContact SG-CB 3.35Å; C296-C310 CovalentContact SG-SG 2.03Å; C296-C310 PolarHBondContact SG-SG 2.86Å; C310-E312 PolarHBondContact O-N 2.9Å | ||
| 311 | P | 78.9 | Confident | 63.6 | Low | 60 Ų | 60 | 110.7 Ų | 110.7 | 39% | 0.39 | 62% | 0.623 | S | S | . | * | trans | -61.4 | 134.2 | 173 | 26.5 | -32.7 | 0 | 0 | 0 | 109 | K300 I309 E313 | K300-P311 HydrophobicContact CD-CG 3.9Å; K300-P311 HydrophobicContact CG-CG 4.21Å; I309-P311 WeakPolarHBondContact O-CD 3.43Å; P311-E313 PolarHBondContact O-N 2.64Å | ||
| 312 | E | 64.6 | Low | 61.4 | Low | 150 Ų | 150 | 111.5 Ų | 111.5 | 70% | 0.701 | 64% | 0.638 | S | S | * | * | trans | -65.8 | 127.4 | 165.1 | -70.4 | 175.9 | -180 | 0 | 0 | 106.7 | C310 E314 | C310-E312 PolarHBondContact O-N 2.9Å; E312-E314 PolarHBondContact O-N 3.01Å | ||
| 313 | E | 56.8 | Low | 59.9 | Low | 189 Ų | 189 | 117.6 Ų | 117.6 | 88% | 0.883 | 66% | 0.66 | S | S | * | * | trans | -56.6 | 114.5 | 179.2 | -66.3 | -177.5 | 166 | 0 | 0 | 108.1 | P311 A315 | P311-E313 PolarHBondContact O-N 2.64Å; E313-A315 VanDerWaalsContact C-N 3.32Å; E313-A315 PolarHBondContact O-N 3.4Å | ||
| 314 | E | 43.7 | Very low | 57.8 | Low | 190 Ų | 190 | 118.1 Ų | 118.1 | 89% | 0.888 | 66% | 0.658 | S | S | * | * | trans | -58.4 | 103 | 165.7 | -72.4 | 170.9 | 169.5 | 0 | 0 | 105.5 | E312 D316 | E312-E314 PolarHBondContact O-N 3.01Å; E314-D316 PolarHBondContact O-N 3.12Å | ||
| 315 | A | 35.3 | Very low | 56.5 | Low | 102 Ų | 102 | 120.9 Ų | 120.9 | 84% | 0.843 | 66% | 0.662 | S | S | * | * | trans | -67.3 | 83.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | E313 | E313-A315 VanDerWaalsContact C-N 3.32Å; E313-A315 PolarHBondContact O-N 3.4Å | ||
| 316 | D | 36.6 | Very low | 54.8 | Low | 158 Ų | 158 | 124.4 Ų | 124.4 | 85% | 0.845 | 68% | 0.677 | S | S | * | * | trans | -69 | 133.4 | 157.7 | -133.2 | -19.1 | 0 | 0 | 0 | 107.5 | E314 D318 | E314-D316 PolarHBondContact O-N 3.12Å; D316-D318 PolarHBondContact O-N 3.37Å | ||
| 317 | A | 44.8 | Very low | 52.4 | Low | 98 Ų | 98 | 129.5 Ų | 129.5 | 81% | 0.81 | 71% | 0.712 | S | S | * | * | trans | -70.7 | 108.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 318 | D | 36.9 | Very low | 50.7 | Low | 155 Ų | 155 | 133.7 Ų | 133.7 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | trans | -158.9 | 135.2 | 139.8 | -139 | -9.7 | 0 | 0 | 0 | 112.7 | D316 | D316-D318 PolarHBondContact O-N 3.37Š| ||
| 319 | H | 49.1 | Very low | 49.1 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | trans | -72.2 | 127 | 176.6 | -85 | -88.7 | 0 | 0 | 0 | 110.1 | ||||
| 320 | S | 38.2 | Very low | 47.4 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -161.7 | 93.2 | 155.5 | -73.7 | 0 | 0 | 0 | 0 | 110 | V322 | S320-V322 PolarHBondContact O-N 3.06Š| ||
| 321 | E | 50.3 | Low | 46.4 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -68.3 | 121.9 | 159.9 | -69.3 | -169.7 | 157.1 | 0 | 0 | 109.3 | ||||
| 322 | V | 38.4 | Very low | 45.7 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -146.7 | 127.7 | 141.8 | -176.5 | 0 | 0 | 0 | 0 | 110 | S320 | S320-V322 PolarHBondContact O-N 3.06Š| ||
| 323 | F | 51.4 | Low | 46.1 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -49.3 | 134.9 | 179.2 | -86.3 | -111.6 | 0 | 0 | 0 | 116.5 | ||||
| 324 | S | 33.8 | Very low | 47.2 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | -155.6 | 100.2 | 137.5 | -95.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 325 | T | 43.3 | Very low | 48.9 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 52.6 | 114.9 | 138.4 | 59.7 | 0 | 0 | 0 | 0 | 120 | ||
| 326 | K | 40.8 | Very low | 51.2 | Low | 200 Ų | 200 | 116.6 Ų | 116.6 | 87% | 0.87 | 65% | 0.65 | S | S | * | * | trans | 72.1 | 84.3 | 161.5 | -66.1 | 178.8 | 178.5 | 175.7 | 0 | 115.3 | P328 | K326-P328 WeakPolarHBondContact O-CD 3.41Š| ||
| 327 | C | 32.7 | Very low | 53.3 | Low | 126 Ų | 126 | 111.4 Ų | 111.4 | 85% | 0.851 | 62% | 0.619 | S | S | * | * | trans | -61.9 | 124 | 149.6 | -61.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 328 | P | 44.1 | Very low | 55.1 | Low | 120 Ų | 120 | 108.1 Ų | 108.1 | 78% | 0.779 | 59% | 0.588 | S | S | * | * | trans | -60.3 | 143.4 | 160.2 | -11.6 | 27.3 | 0 | 0 | 0 | 107.9 | K326 | K326-P328 WeakPolarHBondContact O-CD 3.41Š| ||
| 329 | K | 50.9 | Low | 57.1 | Low | 200 Ų | 200 | 102.6 Ų | 102.6 | 87% | 0.87 | 56% | 0.559 | S | S | * | * | trans | -34.5 | 136.4 | -176.9 | -70.7 | 170.6 | 176.5 | 175.4 | 0 | 113 | ||||
| 330 | V | 46.5 | Very low | 58.1 | Low | 126 Ų | 126 | 98 Ų | 98 | 76% | 0.764 | 54% | 0.543 | S | S | * | . | trans | -31.5 | 119.4 | 168.7 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | G332 | V330-G332 PolarHBondContact O-N 2.88Å; V330-G332 VanDerWaalsContact O-N 3.14Å | ||
| 331 | P | 56.9 | Low | 59.1 | Low | 75 Ų | 75 | 95.3 Ų | 95.3 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 121.2 | 174.7 | 24.2 | -30 | 0 | 0 | 0 | 107.2 | H403 | P331-H403 HydrophobicContact CB-CB 4.48Å; P331-H403 HydrophobicContact CG-CB 4.43Å |
| 332 | G | 64.6 | Low | 59.2 | Low | 10 Ų | 10 | 93.3 Ų | 93.3 | 10% | 0.103 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 143 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V330 E404 | V330-G332 PolarHBondContact O-N 2.88Å; V330-G332 VanDerWaalsContact O-N 3.14Å; G332-E404 WeakPolarHBondContact O-CB 3.45Å; G332-E404 PolarHBondContact O-N 2.86Å |
| 333 | Q | 72.4 | Confident | 59.8 | Low | 103 Ų | 103 | 90 Ų | 90 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 143.4 | 175.7 | -162 | 170.3 | 10.6 | 0 | 0 | 110.2 | E359 T402 | Q333-E359 HydrophobicContact CB-CB 4.29Å; Q333-E359 VanDerWaalsContact CB-OE2 3.27Å; Q333-E359 WeakPolarHBondContact CB-OE2 3.38Å; Q333-E359 PolarHBondContact N-OE2 2.03Å; Q333-E359 VanDerWaalsContact O-CB 3.22Å; Q333-E359 WeakPolarHBondContact O-CB 3.41Å; Q333-E359 PolarHBondContact O-N 2.95Å; Q333-T402 WeakPolarHBondContact CG-O 3.48Å |
| 334 | V | 79.6 | Confident | 59.7 | Low | 1 Ų | 1 | 87.6 Ų | 87.6 | 1% | 0.006 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.4 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | L356 E357 G401 T402 E404 W407 | V334-L356 HydrophobicContact CG1-CD1 3.31Å; V334-L356 HydrophobicContact CG1-CG 4.18Å; V334-E357 CarbonylContact C-O 3.56Å; V334-E357 WeakPolarHBondContact CA-O 3.07Å; V334-G401 CarbonylContact O-C 3.5Å; V334-G401 VanDerWaalsContact O-CA 3.27Å; V334-G401 WeakPolarHBondContact O-CA 3.29Å; V334-T402 PolarHBondContact N-O 2.03Å; V334-T402 PolarHBondContact O-N 3.48Å; V334-T402 VanDerWaalsContact O-O 3.12Å; V334-E404 HydrophobicContact CG2-CB 3.93Å; V334-E404 HydrophobicContact CG2-CG 4.38Å; V334-W407 HydrophobicContact CB-CB 4.12Å; V334-W407 HydrophobicContact CB-CD2 4.38Å; V334-W407 HydrophobicContact CB-CG 4.06Å; V334-W407 HydrophobicContact CG1-CB 4.31Å; V334-W407 HydrophobicContact CG1-CD2 3.68Å; V334-W407 HydrophobicContact CG1-CE3 4.14Å; V334-W407 HydrophobicContact CG1-CG 3.71Å; V334-W407 HydrophobicContact CG2-CB 3.94Å; V334-W407 HydrophobicContact CG2-CG 4.04Å |
| 335 | S | 80.1 | Confident | 60.3 | Low | 19 Ų | 19 | 85.4 Ų | 85.4 | 13% | 0.133 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135.3 | -177.6 | -65.8 | 0 | 0 | 0 | 0 | 110.8 | Y337 E357 | S335-Y337 WeakPolarHBondContact CB-OH 3.1Å; S335-E357 PolarHBondContact N-O 3.37Å; S335-E357 PolarHBondContact O-N 2.86Å |
| 336 | V | 83.7 | Confident | 60.7 | Low | 19 Ų | 19 | 85.3 Ų | 85.3 | 12% | 0.115 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125 | 178.3 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | V355 L356 L399 T400 W407 | V336-V355 CarbonylContact C-O 3.54Å; V336-V355 VanDerWaalsContact CA-O 3.31Å; V336-V355 WeakPolarHBondContact CA-O 3.38Å; V336-L356 HydrophobicContact CG2-CD1 3.81Å; V336-L399 WeakPolarHBondContact O-CB 3.32Å; V336-L399 PolarHBondContact O-N 3.17Å; V336-T400 HydrophobicContact CB-CG2 4.01Å; V336-T400 HydrophobicContact CG2-CG2 4.1Å; V336-T400 PolarHBondContact N-O 3.24Å; V336-T400 PolarHBondContact O-N 2.98Å; V336-W407 HydrophobicContact CG2-CH2 3.61Å; V336-W407 HydrophobicContact CG2-CZ3 3.62Å |
| 337 | Y | 81.4 | Confident | 61.2 | Low | 49 Ų | 49 | 79 Ų | 79 | 19% | 0.192 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 153.6 | 178.5 | -49 | -100.4 | 0 | 0 | 0 | 111 | S335 F354 V355 E357 R397 L398 | S335-Y337 WeakPolarHBondContact CB-OH 3.1Å; Y337-F354 CarbonylContact O-C 3.55Å; Y337-F354 WeakPolarHBondContact O-CA 3.35Å; Y337-V355 HydrophobicContact CD2-CB 4.33Å; Y337-V355 PolarHBondContact N-O 2.8Å; Y337-V355 PolarHBondContact O-N 3.22Å; Y337-E357 HydrophobicContact CE2-CB 3.78Å; Y337-E357 PolarHBondContact OH-OE2 2.01Å; Y337-R397 CarbonylContact C-O 3.58Å; Y337-R397 VanDerWaalsContact CA-O 3.27Å; Y337-R397 WeakPolarHBondContact CA-O 3.35Å; Y337-L398 HydrophobicContact CD1-CB 4.06Å; Y337-L398 HydrophobicContact CD1-CD1 3.98Å; Y337-L398 HydrophobicContact CE1-CB 4.1Å; Y337-L398 HydrophobicContact CE1-CD1 3.66Å; Y337-L398 HydrophobicContact CE1-CG 4.47Å; Y337-L398 HydrophobicContact CE2-CD1 4.44Å; Y337-L398 HydrophobicContact CG-CD1 4.49Å |
| 338 | T | 81.8 | Confident | 62.1 | Low | 29 Ų | 29 | 78.3 Ų | 78.3 | 18% | 0.178 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145.8 | 171.1 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | V340 R353 F396 R397 L399 | T338-V340 PolarHBondContact O-N 2.94Å; T338-R353 WeakPolarHBondContact CA-O 3.16Å; T338-F396 VanDerWaalsContact C-CD1 3.42Å; T338-F396 CarbonylContact O-C 3.5Å; T338-F396 VanDerWaalsContact O-CA 3.28Å; T338-F396 WeakPolarHBondContact O-CA 2.99Å; T338-R397 HydrophobicContact CG2-CB 4.49Å; T338-R397 PolarHBondContact N-O 3.32Å; T338-R397 PolarHBondContact O-N 3.26Å; T338-L399 HydrophobicContact CG2-CD1 3.92Å; T338-L399 HydrophobicContact CG2-CD2 3.58Å; T338-L399 HydrophobicContact CG2-CG 3.61Å |
| 339 | L | 78.7 | Confident | 62.4 | Low | 39 Ų | 39 | 77.7 Ų | 77.7 | 20% | 0.204 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 132.9 | 172.3 | -171.7 | 77.7 | 0 | 0 | 0 | 110.2 | S341 R353 N395 F396 | L339-S341 PolarHBondContact O-N 2.84Å; L339-R353 HydrophobicContact CB-CB 4.05Å; L339-R353 PolarHBondContact N-O 3.11Å; L339-N395 HydrophobicContact CD1-CB 3.84Å; L339-F396 HydrophobicContact CB-CD1 4.12Å; L339-F396 HydrophobicContact CB-CE1 3.7Å; L339-F396 HydrophobicContact CB-CZ 4.17Å; L339-F396 HydrophobicContact CD1-CD1 4.39Å; L339-F396 HydrophobicContact CD1-CD2 4.14Å; L339-F396 HydrophobicContact CD1-CE1 3.93Å; L339-F396 HydrophobicContact CD1-CE2 3.67Å; L339-F396 HydrophobicContact CD1-CG 4.48Å; L339-F396 HydrophobicContact CD1-CZ 3.55Å; L339-F396 HydrophobicContact CG-CE1 4.45Å; L339-F396 HydrophobicContact CG-CZ 4.46Å; L339-F396 VanDerWaalsContact N-CD1 3.34Å |
| 340 | V | 70.3 | Confident | 63.1 | Low | 84 Ų | 84 | 69.7 Ų | 69.7 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | trans | -80.2 | 105.7 | 170.2 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | T338 P342 N395 R397 | T338-V340 PolarHBondContact O-N 2.94Å; V340-P342 WeakPolarHBondContact O-CD 3.45Å; V340-N395 PolarHBondContact N-O 2.98Å; V340-R397 HydrophobicContact CG2-CB 3.79Å | ||
| 341 | S | 59.3 | Low | 64.2 | Low | 61 Ų | 61 | 67.9 Ų | 67.9 | 43% | 0.427 | 42% | 0.422 | S | S | . | . | trans | -68.2 | 129.3 | 177.9 | -64.4 | 0 | 0 | 0 | 0 | 110.8 | L339 S343 | L339-S341 PolarHBondContact O-N 2.84Å; S341-S343 PolarHBondContact O-N 2.04Å | ||
| 342 | P | 53.4 | Low | 65.1 | Low | 137 Ų | 137 | 66.7 Ų | 66.7 | 89% | 0.89 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -70.9 | -14.1 | 178.6 | -18.4 | 30.3 | 0 | 0 | 0 | 114.7 | V340 | V340-P342 WeakPolarHBondContact O-CD 3.45Š|
| 343 | S | 49.7 | Very low | 65.9 | Low | 72 Ų | 72 | 68.5 Ų | 68.5 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | trans | -108.1 | 127.4 | -175.1 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | S341 A345 | S341-S343 PolarHBondContact O-N 2.04Å; S343-A345 PolarHBondContact O-N 2.81Å; S343-A345 PolarHBondContact OG-N 3.32Å; S343-A345 PolarHBondContact OG-O 2.88Å | ||
| 344 | P | 50.8 | Low | 66.4 | Low | 137 Ų | 137 | 66.2 Ų | 66.2 | 89% | 0.89 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -75.3 | -3.3 | 174.3 | 28.6 | -31.8 | 0 | 0 | 0 | 113.9 | ||
| 345 | A | 45.7 | Very low | 66.6 | Low | 64 Ų | 64 | 66.2 Ų | 66.2 | 53% | 0.529 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -105.2 | 117.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S343 S347 | S343-A345 PolarHBondContact O-N 2.81Å; S343-A345 PolarHBondContact OG-N 3.32Å; S343-A345 PolarHBondContact OG-O 2.88Å; A345-S347 PolarHBondContact O-N 2.73Å |
| 346 | P | 50.4 | Low | 66.8 | Low | 121 Ų | 121 | 65.5 Ų | 65.5 | 79% | 0.786 | 40% | 0.396 | S | S | * | . | trans | -73.1 | 108.1 | 175.4 | 27.7 | -30.3 | 0 | 0 | 0 | 109.4 | ||||
| 347 | S | 52.5 | Low | 66.8 | Low | 66 Ų | 66 | 66.8 Ų | 66.8 | 46% | 0.462 | 40% | 0.401 | S | S | . | . | trans | -76.4 | 148.1 | 167.3 | 71.3 | 0 | 0 | 0 | 0 | 109.1 | A345 D349 T350 | A345-S347 PolarHBondContact O-N 2.73Å; S347-D349 PolarHBondContact O-N 2.85Å; S347-T350 PolarHBondContact N-OG1 3.23Å; S347-T350 WeakPolarHBondContact O-CB 3.5Å; S347-T350 PolarHBondContact O-N 3.35Å; S347-T350 PolarHBondContact O-OG1 2.93Å; S347-T350 PolarHBondContact OG-OG1 2.96Å | ||
| 348 | P | 50.3 | Low | 66.8 | Low | 112 Ų | 112 | 66 Ų | 66 | 73% | 0.727 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -5.9 | 179.9 | 26.2 | -34.7 | 0 | 0 | 0 | 114.1 | ||
| 349 | D | 51.3 | Low | 66.7 | Low | 107 Ų | 107 | 70.1 Ų | 70.1 | 57% | 0.572 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 12.1 | 176.2 | -77.9 | -37.5 | 0 | 0 | 0 | 113.5 | S347 L351 K370 | S347-D349 PolarHBondContact O-N 2.85Å; D349-L351 PolarHBondContact O-N 3.02Å; D349-L351 VanDerWaalsContact O-N 3.12Å; D349-K370 WeakPolarHBondContact OD1-CE 3.32Å; D349-K370 IonicContact OD1-NZ 2.58Å; D349-K370 PolarHBondContact OD1-NZ 2.83Å |
| 350 | T | 64.9 | Low | 66.4 | Low | 33 Ų | 33 | 72.3 Ų | 72.3 | 20% | 0.202 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 116.3 | -179.9 | -52.3 | 0 | 0 | 0 | 0 | 110.4 | S347 H352 | S347-T350 PolarHBondContact N-OG1 3.23Å; S347-T350 WeakPolarHBondContact O-CB 3.5Å; S347-T350 PolarHBondContact O-N 3.35Å; S347-T350 PolarHBondContact O-OG1 2.93Å; S347-T350 PolarHBondContact OG-OG1 2.96Å; T350-H352 PolarHBondContact O-CD2 3.14Å |
| 351 | L | 70.1 | Confident | 66.8 | Low | 87 Ų | 87 | 70.6 Ų | 70.6 | 46% | 0.455 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 121.4 | 172.4 | -63.9 | 176 | 0 | 0 | 0 | 109.3 | D349 I368 W369 K370 V379 | D349-L351 PolarHBondContact O-N 3.02Å; D349-L351 VanDerWaalsContact O-N 3.12Å; L351-I368 HydrophobicContact CB-CG2 4.11Å; L351-I368 HydrophobicContact CD1-CG2 4.28Å; L351-I368 HydrophobicContact CD2-CG2 4.19Å; L351-I368 HydrophobicContact CG-CG2 4.43Å; L351-W369 CarbonylContact C-O 3.49Å; L351-W369 WeakPolarHBondContact CA-O 3Å; L351-K370 HydrophobicContact CD2-CB 4.08Å; L351-K370 HydrophobicContact CD2-CG 4.33Å; L351-V379 HydrophobicContact CD2-CG2 4.26Å |
| 352 | H | 76.4 | Confident | 67.8 | Low | 51 Ų | 51 | 72.5 Ų | 72.5 | 24% | 0.236 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.2 | 173.6 | -65.2 | -94.9 | 0 | 0 | 0 | 109.3 | T350 F354 I368 W369 F376 | T350-H352 PolarHBondContact O-CD2 3.14Å; H352-F354 HydrophobicContact CB-CE2 3.98Å; H352-I368 CarbonylContact O-C 3.6Å; H352-I368 WeakPolarHBondContact O-CA 3.15Å; H352-W369 HydrophobicContact CB-CB 4.4Å; H352-W369 PolarHBondContact N-O 3.28Å; H352-W369 PolarHBondContact O-N 3.23Å; H352-F376 HydrophobicContact CB-CE1 4.13Å; H352-F376 AromaticContact CD2-CE1 3.52Å; H352-F376 AromaticContact CG-CE1 3.67Å; H352-F376 AromaticContact NE2-CE1 3.87Å |
| 353 | R | 80.3 | Confident | 69 | Low | 47 Ų | 47 | 69.5 Ų | 69.5 | 18% | 0.177 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.9 | -179.2 | -67.4 | 176 | 62 | -151.5 | 5.9 | 109.6 | T338 L339 Y367 I368 E392 F396 | T338-R353 WeakPolarHBondContact CA-O 3.16Å; L339-R353 HydrophobicContact CB-CB 4.05Å; L339-R353 PolarHBondContact N-O 3.11Å; R353-Y367 WeakPolarHBondContact CA-O 3.42Å; R353-I368 HydrophobicContact CG-CG1 4.26Å; R353-I368 HydrophobicContact CG-CG2 4.43Å; R353-E392 IonicContact CZ-OE1 2.86Å; R353-E392 VanDerWaalsContact CZ-OE1 3.3Å; R353-E392 IonicContact CZ-OE2 3.2Å; R353-E392 IonicContact NH1-OE1 3.04Å; R353-E392 PolarHBondContact NH1-OE1 3.37Å; R353-E392 IonicContact NH1-OE2 2.85Å; R353-E392 VanDerWaalsContact NH2-CD 3.3Å; R353-E392 IonicContact NH2-OE1 3.3Å; R353-E392 PolarHBondContact NH2-OE1 3.41Å; R353-E392 IonicContact NH2-OE2 3.84Å; R353-E392 PolarHBondContact NH2-OE2 2.04Å; R353-F396 HydrophobicContact CB-CE1 4.12Å; R353-F396 HydrophobicContact CB-CZ 4.4Å |
| 354 | F | 83.7 | Confident | 70.6 | Confident | 55 Ų | 55 | 66 Ų | 66 | 24% | 0.241 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.8 | 172.6 | -59.9 | -82.5 | 0 | 0 | 0 | 109.2 | Y337 H352 I366 Y367 W369 L399 | Y337-F354 CarbonylContact O-C 3.55Å; Y337-F354 WeakPolarHBondContact O-CA 3.35Å; H352-F354 HydrophobicContact CB-CE2 3.98Å; F354-I366 CarbonylContact O-C 3.57Å; F354-I366 WeakPolarHBondContact O-CA 3.45Å; F354-Y367 PolarHBondContact N-O 3.09Å; F354-Y367 PolarHBondContact O-N 3.02Å; F354-W369 AromaticContact CD2-CD1 3.68Å; F354-L399 HydrophobicContact CD1-CD1 3.79Å; F354-L399 HydrophobicContact CE1-CD1 3.7Å |
| 355 | V | 84.1 | Confident | 72.2 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.9 | 179.5 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | V336 Y337 V364 E365 I366 F389 F396 | V336-V355 CarbonylContact C-O 3.54Å; V336-V355 VanDerWaalsContact CA-O 3.31Å; V336-V355 WeakPolarHBondContact CA-O 3.38Å; Y337-V355 HydrophobicContact CD2-CB 4.33Å; Y337-V355 PolarHBondContact N-O 2.8Å; Y337-V355 PolarHBondContact O-N 3.22Å; V355-V364 HydrophobicContact CG1-CB 3.87Å; V355-V364 HydrophobicContact CG1-CG1 4.32Å; V355-V364 HydrophobicContact CG1-CG2 4.29Å; V355-E365 CarbonylContact C-O 3.54Å; V355-E365 WeakPolarHBondContact CA-O 3.42Å; V355-I366 HydrophobicContact CG1-CG1 4.37Å; V355-I366 HydrophobicContact CG2-CG1 4.12Å; V355-I366 HydrophobicContact CG2-CG2 4.24Å; V355-F389 HydrophobicContact CB-CE2 4.43Å; V355-F389 HydrophobicContact CB-CZ 4.07Å; V355-F389 HydrophobicContact CG1-CE1 4.02Å; V355-F389 HydrophobicContact CG1-CE2 4.07Å; V355-F389 HydrophobicContact CG1-CZ 3.76Å; V355-F389 HydrophobicContact CG2-CE2 3.72Å; V355-F389 HydrophobicContact CG2-CZ 3.73Å; V355-F396 HydrophobicContact CG2-CD1 3.64Å; V355-F396 HydrophobicContact CG2-CE1 3.34Å; V355-F396 HydrophobicContact CG2-CE2 4.49Å; V355-F396 HydrophobicContact CG2-CG 4.37Å; V355-F396 HydrophobicContact CG2-CZ 3.81Å |
| 356 | L | 84.3 | Confident | 73.8 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 117.4 | 175.5 | -176.1 | 66.4 | 0 | 0 | 0 | 108.4 | V334 V336 H358 V364 E365 Y367 W407 | V334-L356 HydrophobicContact CG1-CD1 3.31Å; V334-L356 HydrophobicContact CG1-CG 4.18Å; V336-L356 HydrophobicContact CG2-CD1 3.81Å; L356-H358 WeakPolarHBondContact CD2-NE2 3.46Å; L356-V364 WeakPolarHBondContact O-CA 3.08Å; L356-E365 HydrophobicContact CB-CB 4.27Å; L356-E365 PolarHBondContact N-O 3.13Å; L356-E365 PolarHBondContact O-N 3.43Å; L356-Y367 HydrophobicContact CB-CD2 4.46Å; L356-Y367 HydrophobicContact CB-CE2 4.05Å; L356-Y367 HydrophobicContact CD2-CE2 4.15Å; L356-W407 HydrophobicContact CD1-CD2 4.26Å; L356-W407 HydrophobicContact CD1-CH2 3.68Å; L356-W407 HydrophobicContact CD1-CZ2 3.2Å; L356-W407 HydrophobicContact CD1-CZ3 4.36Å; L356-W407 HydrophobicContact CD2-CZ2 3.63Å; L356-W407 HydrophobicContact CG-CZ2 4.04Å |
| 357 | E | 83.7 | Confident | 75.2 | Confident | 47 Ų | 47 | 54.6 Ų | 54.6 | 22% | 0.22 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 117.9 | 177 | -173.3 | 172.5 | -170.2 | 0 | 0 | 109.8 | V334 S335 Y337 V364 K386 | V334-E357 CarbonylContact C-O 3.56Å; V334-E357 WeakPolarHBondContact CA-O 3.07Å; S335-E357 PolarHBondContact N-O 3.37Å; S335-E357 PolarHBondContact O-N 2.86Å; Y337-E357 HydrophobicContact CE2-CB 3.78Å; Y337-E357 PolarHBondContact OH-OE2 2.01Å; E357-V364 HydrophobicContact CB-CG1 3.99Å; E357-V364 HydrophobicContact CG-CG1 3.87Å; E357-K386 WeakPolarHBondContact OE1-CD 3.27Å; E357-K386 WeakPolarHBondContact OE1-CE 3.46Å; E357-K386 IonicContact OE1-NZ 2.83Å; E357-K386 PolarHBondContact OE1-NZ 2.89Å |
| 358 | H | 82.3 | Confident | 76.2 | Confident | 31 Ų | 31 | 52.1 Ų | 52.1 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.4 | 167.7 | -71.8 | -118.7 | 0 | 0 | 0 | 108.3 | L356 A360 S361 K386 E404 W407 | L356-H358 WeakPolarHBondContact CD2-NE2 3.46Å; H358-A360 VanDerWaalsContact C-N 3.27Å; H358-A360 PolarHBondContact O-N 3Å; H358-S361 PolarHBondContact O-N 2.78Å; H358-S361 VanDerWaalsContact O-N 3.13Å; H358-K386 WeakPolarHBondContact O-CE 3.3Å; H358-K386 PolarHBondContact O-NZ 2.81Å; H358-E404 IonicContact CE1-OE1 3.35Å; H358-E404 IonicContact ND1-OE1 3.23Å; H358-E404 PolarHBondContact ND1-OE1 3.44Å; H358-W407 AromaticContact CE1-CD1 3.74Å; H358-W407 AromaticContact NE2-CD1 3.92Å; H358-W407 AromaticContact NE2-NE1 3.77Å |
| 359 | E | 78.3 | Confident | 77.2 | Confident | 117 Ų | 117 | 50.3 Ų | 50.3 | 55% | 0.547 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -42.5 | 179.7 | -173.8 | 178.9 | -168.5 | 0 | 0 | 111.7 | Q333 S361 K386 | Q333-E359 HydrophobicContact CB-CB 4.29Å; Q333-E359 VanDerWaalsContact CB-OE2 3.27Å; Q333-E359 WeakPolarHBondContact CB-OE2 3.38Å; Q333-E359 PolarHBondContact N-OE2 2.03Å; Q333-E359 VanDerWaalsContact O-CB 3.22Å; Q333-E359 WeakPolarHBondContact O-CB 3.41Å; Q333-E359 PolarHBondContact O-N 2.95Å; E359-S361 VanDerWaalsContact C-N 3.28Å; E359-S361 PolarHBondContact O-N 3.18Å; E359-K386 PolarHBondContact O-NZ 2.97Å |
| 360 | A | 72.3 | Confident | 78.2 | Confident | 85 Ų | 85 | 48.2 Ų | 48.2 | 70% | 0.702 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -9.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | H358 | H358-A360 VanDerWaalsContact C-N 3.27Å; H358-A360 PolarHBondContact O-N 3Å |
| 361 | S | 78.4 | Confident | 78.1 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 33% | 0.329 | 25% | 0.252 | S | S | . | . | trans | -98.7 | 149.4 | -178.8 | -179 | 0 | 0 | 0 | 0 | 111.7 | H358 E359 Q363 K386 | H358-S361 PolarHBondContact O-N 2.78Å; H358-S361 VanDerWaalsContact O-N 3.13Å; E359-S361 VanDerWaalsContact C-N 3.28Å; E359-S361 PolarHBondContact O-N 3.18Å; S361-Q363 VanDerWaalsContact C-N 3.28Å; S361-Q363 PolarHBondContact OG-N 3.3Å; S361-Q363 VanDerWaalsContact OG-N 3.11Å; S361-Q363 PolarHBondContact OG-O 3.19Å; S361-Q363 VanDerWaalsContact OG-O 3.08Å; S361-K386 WeakPolarHBondContact O-CD 3.49Å; S361-K386 WeakPolarHBondContact O-CE 3.36Å; S361-K386 PolarHBondContact O-NZ 3Å | ||
| 362 | D | 81 | Confident | 77.7 | Confident | 101 Ų | 101 | 48.2 Ų | 48.2 | 54% | 0.54 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -85.7 | -3.7 | 170.2 | 79.9 | -20 | 0 | 0 | 0 | 113 | R385 K386 | D362-R385 WeakPolarHBondContact O-CA 3.47Å; D362-K386 PolarHBondContact O-N 3.5Å |
| 363 | Q | 78.9 | Confident | 76.9 | Confident | 74 Ų | 74 | 53 Ų | 53 | 35% | 0.346 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 147.8 | -176.7 | -77.2 | 165.3 | 39.5 | 0 | 0 | 112 | S361 V384 R385 | S361-Q363 VanDerWaalsContact C-N 3.28Å; S361-Q363 PolarHBondContact OG-N 3.3Å; S361-Q363 VanDerWaalsContact OG-N 3.11Å; S361-Q363 PolarHBondContact OG-O 3.19Å; S361-Q363 VanDerWaalsContact OG-O 3.08Å; Q363-V384 CarbonylContact C-O 3.51Å; Q363-V384 VanDerWaalsContact CA-O 3.27Å; Q363-V384 WeakPolarHBondContact CA-O 3.49Å; Q363-R385 HydrophobicContact CG-CG 4.36Å |
| 364 | V | 83.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.7 | 169.5 | -67.9 | 0 | 0 | 0 | 0 | 110 | V355 L356 E357 R383 V384 K386 F389 | V355-V364 HydrophobicContact CG1-CB 3.87Å; V355-V364 HydrophobicContact CG1-CG1 4.32Å; V355-V364 HydrophobicContact CG1-CG2 4.29Å; L356-V364 WeakPolarHBondContact O-CA 3.08Å; E357-V364 HydrophobicContact CB-CG1 3.99Å; E357-V364 HydrophobicContact CG-CG1 3.87Å; V364-R383 WeakPolarHBondContact O-CA 3.43Å; V364-V384 HydrophobicContact CG2-CB 4.16Å; V364-V384 WeakPolarHBondContact CG2-O 3.13Å; V364-V384 PolarHBondContact N-O 3Å; V364-V384 PolarHBondContact O-N 3.3Å; V364-K386 HydrophobicContact CG1-CG 3.84Å; V364-F389 HydrophobicContact CG1-CD1 4.36Å; V364-F389 HydrophobicContact CG2-CB 3.66Å; V364-F389 HydrophobicContact CG2-CD1 4.2Å; V364-F389 HydrophobicContact CG2-CD2 4.25Å; V364-F389 HydrophobicContact CG2-CG 3.77Å |
| 365 | E | 83.1 | Confident | 74.1 | Confident | 32 Ų | 32 | 56.1 Ų | 56.1 | 15% | 0.15 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.6 | 174 | -54.3 | -164.7 | 138.3 | 0 | 0 | 110.1 | V355 L356 Y367 I381 K382 R383 | V355-E365 CarbonylContact C-O 3.54Å; V355-E365 WeakPolarHBondContact CA-O 3.42Å; L356-E365 HydrophobicContact CB-CB 4.27Å; L356-E365 PolarHBondContact N-O 3.13Å; L356-E365 PolarHBondContact O-N 3.43Å; E365-Y367 HydrophobicContact CB-CD2 4.32Å; E365-Y367 HydrophobicContact CB-CE2 3.66Å; E365-Y367 PolarHBondContact OE2-OH 2.76Å; E365-I381 HydrophobicContact CB-CG2 4.36Å; E365-K382 CarbonylContact C-O 3.56Å; E365-K382 WeakPolarHBondContact CA-O 3.44Å; E365-R383 HydrophobicContact CG-CG 4.24Å; E365-R383 IonicContact OE1-CZ 3.82Å; E365-R383 VanDerWaalsContact OE1-CZ 3.27Å; E365-R383 IonicContact OE1-NE 3.27Å; E365-R383 PolarHBondContact OE1-NE 2.72Å; E365-R383 IonicContact OE1-NH2 3.03Å; E365-R383 PolarHBondContact OE1-NH2 2.82Å |
| 366 | I | 79.5 | Confident | 73.1 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 110 | 179.5 | -49.8 | -179 | 0 | 0 | 0 | 108.3 | F354 V355 I368 I381 K382 V384 F389 | F354-I366 CarbonylContact O-C 3.57Å; F354-I366 WeakPolarHBondContact O-CA 3.45Å; V355-I366 HydrophobicContact CG1-CG1 4.37Å; V355-I366 HydrophobicContact CG2-CG1 4.12Å; V355-I366 HydrophobicContact CG2-CG2 4.24Å; I366-I368 HydrophobicContact CG2-CG1 4.43Å; I366-I381 CarbonylContact O-C 3.48Å; I366-I381 WeakPolarHBondContact O-CA 3.33Å; I366-K382 HydrophobicContact CB-CB 4.3Å; I366-K382 PolarHBondContact N-O 3.05Å; I366-K382 PolarHBondContact O-N 3.49Å; I366-V384 HydrophobicContact CD1-CB 4.44Å; I366-V384 HydrophobicContact CD1-CG2 3.87Å; I366-F389 HydrophobicContact CD1-CD2 4.19Å; I366-F389 HydrophobicContact CD1-CE2 4.47Å |
| 367 | Y | 80 | Confident | 71.8 | Confident | 44 Ų | 44 | 65.2 Ų | 65.2 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 120.9 | 175.9 | -66.6 | -105.2 | 0 | 0 | 0 | 110 | R353 F354 L356 E365 W369 L378 I381 | R353-Y367 WeakPolarHBondContact CA-O 3.42Å; F354-Y367 PolarHBondContact N-O 3.09Å; F354-Y367 PolarHBondContact O-N 3.02Å; L356-Y367 HydrophobicContact CB-CD2 4.46Å; L356-Y367 HydrophobicContact CB-CE2 4.05Å; L356-Y367 HydrophobicContact CD2-CE2 4.15Å; E365-Y367 HydrophobicContact CB-CD2 4.32Å; E365-Y367 HydrophobicContact CB-CE2 3.66Å; E365-Y367 PolarHBondContact OE2-OH 2.76Å; Y367-W369 HydrophobicContact CD1-CZ2 4.48Å; Y367-L378 HydrophobicContact CD1-CD1 3.98Å; Y367-I381 HydrophobicContact CD1-CD1 3.96Å; Y367-I381 HydrophobicContact CD1-CG1 3.73Å; Y367-I381 HydrophobicContact CE1-CD1 3.48Å; Y367-I381 VanDerWaalsContact CE1-CD1 3.48Å; Y367-I381 HydrophobicContact CE1-CG1 3.76Å; Y367-I381 HydrophobicContact CE1-CG2 4.32Å; Y367-I381 HydrophobicContact CE2-CG2 4.37Å; Y367-I381 HydrophobicContact CG-CG1 4.43Å |
| 368 | I | 72.9 | Confident | 71 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 8% | 0.077 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117.3 | 178.9 | -49.9 | -176.5 | 0 | 0 | 0 | 108.1 | L351 H352 R353 I366 V379 Q380 K382 | L351-I368 HydrophobicContact CB-CG2 4.11Å; L351-I368 HydrophobicContact CD1-CG2 4.28Å; L351-I368 HydrophobicContact CD2-CG2 4.19Å; L351-I368 HydrophobicContact CG-CG2 4.43Å; H352-I368 CarbonylContact O-C 3.6Å; H352-I368 WeakPolarHBondContact O-CA 3.15Å; R353-I368 HydrophobicContact CG-CG1 4.26Å; R353-I368 HydrophobicContact CG-CG2 4.43Å; I366-I368 HydrophobicContact CG2-CG1 4.43Å; I368-V379 HydrophobicContact CG2-CB 4.38Å; I368-V379 WeakPolarHBondContact O-CA 3.34Å; I368-V379 WeakPolarHBondContact O-CB 3.16Å; I368-V379 PolarHBondContact O-N 3.42Å; I368-Q380 HydrophobicContact CD1-CB 4.48Å; I368-Q380 PolarHBondContact N-O 3.35Å; I368-Q380 PolarHBondContact O-N 3.17Å; I368-K382 HydrophobicContact CD1-CD 4.18Å |
| 369 | W | 72.8 | Confident | 70.4 | Confident | 73 Ų | 73 | 68.1 Ų | 68.1 | 28% | 0.277 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 147.5 | -179.4 | -60.1 | 77.6 | 0 | 0 | 0 | 110.7 | L351 H352 F354 Y367 F376 H377 L378 | L351-W369 CarbonylContact C-O 3.49Å; L351-W369 WeakPolarHBondContact CA-O 3Å; H352-W369 HydrophobicContact CB-CB 4.4Å; H352-W369 PolarHBondContact N-O 3.28Å; H352-W369 PolarHBondContact O-N 3.23Å; F354-W369 AromaticContact CD2-CD1 3.68Å; Y367-W369 HydrophobicContact CD1-CZ2 4.48Å; W369-F376 HydrophobicContact CB-CD1 3.93Å; W369-F376 HydrophobicContact CD2-CB 4.48Å; W369-F376 HydrophobicContact CE3-CB 3.78Å; W369-F376 HydrophobicContact CZ3-CB 4.43Å; W369-H377 CarbonylContact C-O 3.46Å; W369-H377 VanDerWaalsContact CA-O 3.25Å; W369-H377 WeakPolarHBondContact CA-O 3.01Å; W369-H377 VanDerWaalsContact CE3-C 3.48Å; W369-L378 HydrophobicContact CD2-CB 4.08Å; W369-L378 HydrophobicContact CD2-CD1 3.95Å; W369-L378 VanDerWaalsContact CE3-CA 3.48Å; W369-L378 HydrophobicContact CE3-CB 3.75Å; W369-L378 HydrophobicContact CE3-CD1 4.49Å; W369-L378 HydrophobicContact CG-CD1 4.36Å; W369-L378 HydrophobicContact CH2-CB 3.79Å; W369-L378 HydrophobicContact CH2-CD1 4.36Å; W369-L378 HydrophobicContact CH2-CG 4.47Å; W369-L378 HydrophobicContact CZ2-CB 4.11Å; W369-L378 HydrophobicContact CZ2-CD1 3.79Å; W369-L378 HydrophobicContact CZ2-CG 4.36Å; W369-L378 HydrophobicContact CZ3-CB 3.61Å |
| 370 | K | 70.8 | Confident | 70 | Confident | 64 Ų | 64 | 67.1 Ų | 67.1 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.5 | 172.8 | -171.7 | 178.4 | -178.3 | 171.1 | 0 | 109.2 | D349 L351 V372 H377 V379 | D349-K370 WeakPolarHBondContact OD1-CE 3.32Å; D349-K370 IonicContact OD1-NZ 2.58Å; D349-K370 PolarHBondContact OD1-NZ 2.83Å; L351-K370 HydrophobicContact CD2-CB 4.08Å; L351-K370 HydrophobicContact CD2-CG 4.33Å; K370-V372 HydrophobicContact CB-CG2 4.33Å; K370-V372 HydrophobicContact CD-CG2 3.8Å; K370-V372 HydrophobicContact CG-CG2 3.78Å; K370-V372 PolarHBondContact O-N 3.01Å; K370-H377 PolarHBondContact N-O 2.85Å; K370-H377 PolarHBondContact O-N 3.07Å; K370-V379 HydrophobicContact CB-CG2 3.65Å |
| 371 | L | 64.1 | Low | 70.2 | Confident | 66 Ų | 66 | 66.3 Ų | 66.3 | 35% | 0.346 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 103.2 | 173.6 | -173.5 | 67.7 | 0 | 0 | 0 | 109 | F376 | L371-F376 HydrophobicContact CB-CD1 4.44Å; L371-F376 HydrophobicContact CB-CE1 4.26Å; L371-F376 HydrophobicContact CD1-CD1 4.27Å; L371-F376 HydrophobicContact CD1-CD2 4.01Å; L371-F376 HydrophobicContact CD1-CE1 4.19Å; L371-F376 HydrophobicContact CD1-CE2 3.92Å; L371-F376 HydrophobicContact CD1-CG 4.19Å; L371-F376 HydrophobicContact CD1-CZ 4.01Å |
| 372 | V | 60.7 | Low | 70 | Confident | 53 Ų | 53 | 68.6 Ų | 68.6 | 32% | 0.321 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 114 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | K370 G374 I375 | K370-V372 HydrophobicContact CB-CG2 4.33Å; K370-V372 HydrophobicContact CD-CG2 3.8Å; K370-V372 HydrophobicContact CG-CG2 3.78Å; K370-V372 PolarHBondContact O-N 3.01Å; V372-G374 VanDerWaalsContact C-N 3.26Å; V372-G374 PolarHBondContact O-N 2.79Å; V372-I375 PolarHBondContact N-O 3.44Å; V372-I375 PolarHBondContact O-N 2.75Å; V372-I375 VanDerWaalsContact O-N 3.07Å |
| 373 | K | 59.2 | Low | 70.1 | Confident | 153 Ų | 153 | 72.1 Ų | 72.1 | 67% | 0.665 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 39.3 | 177.4 | -55.6 | -178.4 | -174.7 | -164.8 | 0 | 113.8 | E242 I375 | E242-K373 IonicContact OE1-NZ 3.9Å; E242-K373 PolarHBondContact OE1-NZ 2.93Å; E242-K373 IonicContact OE2-NZ 2.64Å; E242-K373 PolarHBondContact OE2-NZ 2.93Å; K373-I375 VanDerWaalsContact C-N 3.33Å |
| 374 | G | 52.8 | Low | 70.2 | Confident | 62 Ų | 62 | 70.6 Ų | 70.6 | 64% | 0.639 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 0.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | V372 | V372-G374 VanDerWaalsContact C-N 3.26Å; V372-G374 PolarHBondContact O-N 2.79Å |
| 375 | I | 54.1 | Low | 70.2 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 54% | 0.538 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.2 | 178.2 | -56.9 | 175 | 0 | 0 | 0 | 109.2 | V372 K373 H377 | V372-I375 PolarHBondContact N-O 3.44Å; V372-I375 PolarHBondContact O-N 2.75Å; V372-I375 VanDerWaalsContact O-N 3.07Å; K373-I375 VanDerWaalsContact C-N 3.33Å; I375-H377 PolarHBondContact O-CD2 3.45Å; I375-H377 PolarHBondContact O-N 2.93Å |
| 376 | F | 62.6 | Low | 70.2 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 42% | 0.421 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 118.6 | 172.9 | -76.1 | -80.6 | 0 | 0 | 0 | 110.2 | H352 W369 L371 | H352-F376 HydrophobicContact CB-CE1 4.13Å; H352-F376 AromaticContact CD2-CE1 3.52Å; H352-F376 AromaticContact CG-CE1 3.67Å; H352-F376 AromaticContact NE2-CE1 3.87Å; W369-F376 HydrophobicContact CB-CD1 3.93Å; W369-F376 HydrophobicContact CD2-CB 4.48Å; W369-F376 HydrophobicContact CE3-CB 3.78Å; W369-F376 HydrophobicContact CZ3-CB 4.43Å; L371-F376 HydrophobicContact CB-CD1 4.44Å; L371-F376 HydrophobicContact CB-CE1 4.26Å; L371-F376 HydrophobicContact CD1-CD1 4.27Å; L371-F376 HydrophobicContact CD1-CD2 4.01Å; L371-F376 HydrophobicContact CD1-CE1 4.19Å; L371-F376 HydrophobicContact CD1-CE2 3.92Å; L371-F376 HydrophobicContact CD1-CG 4.19Å; L371-F376 HydrophobicContact CD1-CZ 4.01Å |
| 377 | H | 57 | Low | 70.2 | Confident | 99 Ų | 99 | 85.1 Ų | 85.1 | 46% | 0.458 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.9 | 171.4 | -72 | -91.2 | 0 | 0 | 0 | 109.7 | W369 K370 I375 V379 | W369-H377 CarbonylContact C-O 3.46Å; W369-H377 VanDerWaalsContact CA-O 3.25Å; W369-H377 WeakPolarHBondContact CA-O 3.01Å; W369-H377 VanDerWaalsContact CE3-C 3.48Å; K370-H377 PolarHBondContact N-O 2.85Å; K370-H377 PolarHBondContact O-N 3.07Å; I375-H377 PolarHBondContact O-CD2 3.45Å; I375-H377 PolarHBondContact O-N 2.93Å; H377-V379 PolarHBondContact O-N 3.02Å |
| 378 | L | 65.9 | Low | 70.1 | Confident | 54 Ų | 54 | 87.3 Ų | 87.3 | 28% | 0.283 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 117.8 | 172.9 | -178.6 | 65.3 | 0 | 0 | 0 | 108.5 | Y367 W369 I381 L417 | Y367-L378 HydrophobicContact CD1-CD1 3.98Å; W369-L378 HydrophobicContact CD2-CB 4.08Å; W369-L378 HydrophobicContact CD2-CD1 3.95Å; W369-L378 VanDerWaalsContact CE3-CA 3.48Å; W369-L378 HydrophobicContact CE3-CB 3.75Å; W369-L378 HydrophobicContact CE3-CD1 4.49Å; W369-L378 HydrophobicContact CG-CD1 4.36Å; W369-L378 HydrophobicContact CH2-CB 3.79Å; W369-L378 HydrophobicContact CH2-CD1 4.36Å; W369-L378 HydrophobicContact CH2-CG 4.47Å; W369-L378 HydrophobicContact CZ2-CB 4.11Å; W369-L378 HydrophobicContact CZ2-CD1 3.79Å; W369-L378 HydrophobicContact CZ2-CG 4.36Å; W369-L378 HydrophobicContact CZ3-CB 3.61Å; L378-I381 HydrophobicContact CD1-CG1 4.1Å; L378-I381 HydrophobicContact CD2-CD1 3.98Å; L378-I381 HydrophobicContact CD2-CG1 3.99Å; L378-I381 HydrophobicContact CG-CG1 4.47Å; L378-L417 HydrophobicContact CD2-CD1 3.9Å |
| 379 | V | 70.1 | Confident | 70.4 | Confident | 86 Ų | 86 | 87.1 Ų | 87.1 | 52% | 0.521 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -49.4 | 178.8 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | L351 I368 K370 H377 | L351-V379 HydrophobicContact CD2-CG2 4.26Å; I368-V379 HydrophobicContact CG2-CB 4.38Å; I368-V379 WeakPolarHBondContact O-CA 3.34Å; I368-V379 WeakPolarHBondContact O-CB 3.16Å; I368-V379 PolarHBondContact O-N 3.42Å; K370-V379 HydrophobicContact CB-CG2 3.65Å; H377-V379 PolarHBondContact O-N 3.02Å |
| 380 | Q | 69.1 | Low | 70.5 | Confident | 95 Ų | 95 | 90.2 Ų | 90.2 | 44% | 0.444 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 149.3 | -175.6 | -168.8 | 176.8 | 8.7 | 0 | 0 | 111.6 | I368 K382 | I368-Q380 HydrophobicContact CD1-CB 4.48Å; I368-Q380 PolarHBondContact N-O 3.35Å; I368-Q380 PolarHBondContact O-N 3.17Å; Q380-K382 HydrophobicContact CG-CG 4.14Å |
| 381 | I | 76.6 | Confident | 70.6 | Confident | 69 Ų | 69 | 95.5 Ų | 95.5 | 35% | 0.354 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128 | 163.8 | -53.1 | 172.6 | 0 | 0 | 0 | 107.6 | E365 I366 Y367 L378 | E365-I381 HydrophobicContact CB-CG2 4.36Å; I366-I381 CarbonylContact O-C 3.48Å; I366-I381 WeakPolarHBondContact O-CA 3.33Å; Y367-I381 HydrophobicContact CD1-CD1 3.96Å; Y367-I381 HydrophobicContact CD1-CG1 3.73Å; Y367-I381 HydrophobicContact CE1-CD1 3.48Å; Y367-I381 VanDerWaalsContact CE1-CD1 3.48Å; Y367-I381 HydrophobicContact CE1-CG1 3.76Å; Y367-I381 HydrophobicContact CE1-CG2 4.32Å; Y367-I381 HydrophobicContact CE2-CG2 4.37Å; Y367-I381 HydrophobicContact CG-CG1 4.43Å; L378-I381 HydrophobicContact CD1-CG1 4.1Å; L378-I381 HydrophobicContact CD2-CD1 3.98Å; L378-I381 HydrophobicContact CD2-CG1 3.99Å; L378-I381 HydrophobicContact CG-CG1 4.47Å |
| 382 | K | 74.9 | Confident | 70.8 | Confident | 94 Ų | 94 | 95.5 Ų | 95.5 | 41% | 0.409 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134.9 | 174.9 | -63.5 | -176.1 | 178.5 | -177.6 | 0 | 109.8 | E365 I366 I368 Q380 V384 | E365-K382 CarbonylContact C-O 3.56Å; E365-K382 WeakPolarHBondContact CA-O 3.44Å; I366-K382 HydrophobicContact CB-CB 4.3Å; I366-K382 PolarHBondContact N-O 3.05Å; I366-K382 PolarHBondContact O-N 3.49Å; I368-K382 HydrophobicContact CD1-CD 4.18Å; Q380-K382 HydrophobicContact CG-CG 4.14Å; K382-V384 HydrophobicContact CB-CG2 4.48Å |
| 383 | R | 82.3 | Confident | 71.3 | Confident | 175 Ų | 175 | 94.6 Ų | 94.6 | 66% | 0.66 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.8 | 171.5 | -66.2 | -174 | 171.6 | 161.6 | -1 | 109.2 | V364 E365 | V364-R383 WeakPolarHBondContact O-CA 3.43Å; E365-R383 HydrophobicContact CG-CG 4.24Å; E365-R383 IonicContact OE1-CZ 3.82Å; E365-R383 VanDerWaalsContact OE1-CZ 3.27Å; E365-R383 IonicContact OE1-NE 3.27Å; E365-R383 PolarHBondContact OE1-NE 2.72Å; E365-R383 IonicContact OE1-NH2 3.03Å; E365-R383 PolarHBondContact OE1-NH2 2.82Å |
| 384 | V | 81.8 | Confident | 72 | Confident | 43 Ų | 43 | 96 Ų | 96 | 26% | 0.261 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143.8 | -176 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | Q363 V364 I366 K382 D388 | Q363-V384 CarbonylContact C-O 3.51Å; Q363-V384 VanDerWaalsContact CA-O 3.27Å; Q363-V384 WeakPolarHBondContact CA-O 3.49Å; V364-V384 HydrophobicContact CG2-CB 4.16Å; V364-V384 WeakPolarHBondContact CG2-O 3.13Å; V364-V384 PolarHBondContact N-O 3Å; V364-V384 PolarHBondContact O-N 3.3Å; I366-V384 HydrophobicContact CD1-CB 4.44Å; I366-V384 HydrophobicContact CD1-CG2 3.87Å; K382-V384 HydrophobicContact CB-CG2 4.48Å; V384-D388 HydrophobicContact CG1-CB 3.83Å |
| 385 | R | 83.9 | Confident | 73 | Confident | 152 Ų | 152 | 97.2 Ų | 97.2 | 57% | 0.574 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 143.3 | 175.4 | -66.6 | 179.9 | 178.1 | 177.4 | -0.2 | 110 | D362 Q363 Q387 D388 F389 | D362-R385 WeakPolarHBondContact O-CA 3.47Å; Q363-R385 HydrophobicContact CG-CG 4.36Å; R385-Q387 PolarHBondContact O-N 2.8Å; R385-D388 PolarHBondContact O-N 3.01Å; R385-F389 PolarHBondContact O-N 3.48Å |
| 386 | K | 82.9 | Confident | 74.1 | Confident | 38 Ų | 38 | 93.2 Ų | 93.2 | 17% | 0.165 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -52.8 | -41 | 178.7 | -77.7 | -179.9 | 177.1 | -171 | 0 | 112.7 | E357 H358 E359 S361 D362 V364 D388 F389 Q390 | E357-K386 WeakPolarHBondContact OE1-CD 3.27Å; E357-K386 WeakPolarHBondContact OE1-CE 3.46Å; E357-K386 IonicContact OE1-NZ 2.83Å; E357-K386 PolarHBondContact OE1-NZ 2.89Å; H358-K386 WeakPolarHBondContact O-CE 3.3Å; H358-K386 PolarHBondContact O-NZ 2.81Å; E359-K386 PolarHBondContact O-NZ 2.97Å; S361-K386 WeakPolarHBondContact O-CD 3.49Å; S361-K386 WeakPolarHBondContact O-CE 3.36Å; S361-K386 PolarHBondContact O-NZ 3Å; D362-K386 PolarHBondContact O-N 3.5Å; V364-K386 HydrophobicContact CG1-CG 3.84Å; K386-D388 VanDerWaalsContact C-N 3.31Å; K386-D388 PolarHBondContact O-N 2.91Å; K386-F389 PolarHBondContact O-N 2.85Å; K386-Q390 WeakPolarHBondContact O-CG 3.49Å; K386-Q390 PolarHBondContact O-N 3.3Å |
| 387 | Q | 79 | Confident | 75 | Confident | 151 Ų | 151 | 97 Ų | 97 | 71% | 0.706 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.5 | -38.4 | 178.6 | -65.4 | 179.4 | 1.8 | 0 | 0 | 112.7 | R385 | R385-Q387 PolarHBondContact O-N 2.8Å |
| 388 | D | 78.1 | Confident | 76 | Confident | 90 Ų | 90 | 96.7 Ų | 96.7 | 48% | 0.481 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -76.4 | -33.7 | 178.5 | -63.1 | -41.4 | 0 | 0 | 0 | 111.3 | V384 R385 K386 | V384-D388 HydrophobicContact CG1-CB 3.83Å; R385-D388 PolarHBondContact O-N 3.01Å; K386-D388 VanDerWaalsContact C-N 3.31Å; K386-D388 PolarHBondContact O-N 2.91Å |
| 389 | F | 78.8 | Confident | 76.6 | Confident | 12 Ų | 12 | 98.6 Ų | 98.6 | 5% | 0.053 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -70.6 | -29.2 | 176.2 | 179.9 | -109.1 | 0 | 0 | 0 | 113.5 | V355 V364 I366 R385 K386 K391 E392 A393 F396 | V355-F389 HydrophobicContact CB-CE2 4.43Å; V355-F389 HydrophobicContact CB-CZ 4.07Å; V355-F389 HydrophobicContact CG1-CE1 4.02Å; V355-F389 HydrophobicContact CG1-CE2 4.07Å; V355-F389 HydrophobicContact CG1-CZ 3.76Å; V355-F389 HydrophobicContact CG2-CE2 3.72Å; V355-F389 HydrophobicContact CG2-CZ 3.73Å; V364-F389 HydrophobicContact CG1-CD1 4.36Å; V364-F389 HydrophobicContact CG2-CB 3.66Å; V364-F389 HydrophobicContact CG2-CD1 4.2Å; V364-F389 HydrophobicContact CG2-CD2 4.25Å; V364-F389 HydrophobicContact CG2-CG 3.77Å; I366-F389 HydrophobicContact CD1-CD2 4.19Å; I366-F389 HydrophobicContact CD1-CE2 4.47Å; R385-F389 PolarHBondContact O-N 3.48Å; K386-F389 PolarHBondContact O-N 2.85Å; F389-K391 PolarHBondContact O-N 3.44Å; F389-E392 CarbonylContact O-C 3.57Å; F389-E392 WeakPolarHBondContact O-CA 3.33Å; F389-E392 PolarHBondContact O-N 2.03Å; F389-A393 HydrophobicContact CD1-CB 4.16Å; F389-A393 HydrophobicContact CE1-CB 3.83Å; F389-A393 HydrophobicContact CZ-CB 4.3Å; F389-A393 PolarHBondContact O-N 2.79Å; F389-F396 AromaticContact CE2-CD2 3.83Å; F389-F396 HydrophobicContact CE2-CD2 3.83Å; F389-F396 AromaticContact CE2-CE2 3.67Å; F389-F396 HydrophobicContact CE2-CE2 3.67Å; F389-F396 HydrophobicContact CE2-CG 4.44Å; F389-F396 HydrophobicContact CE2-CZ 4.16Å; F389-F396 HydrophobicContact CZ-CB 4.46Å; F389-F396 AromaticContact CZ-CD2 3.73Å; F389-F396 HydrophobicContact CZ-CD2 3.73Å; F389-F396 HydrophobicContact CZ-CE2 4.05Å; F389-F396 AromaticContact CZ-CG 4Å; F389-F396 HydrophobicContact CZ-CG 4Å |
| 390 | Q | 75.8 | Confident | 76.8 | Confident | 137 Ų | 137 | 98.4 Ų | 98.4 | 64% | 0.64 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -29.5 | 179.1 | -82 | -177.9 | -5.3 | 0 | 0 | 113.6 | K386 E392 | K386-Q390 WeakPolarHBondContact O-CG 3.49Å; K386-Q390 PolarHBondContact O-N 3.3Å; Q390-E392 VanDerWaalsContact C-N 3.29Å; Q390-E392 PolarHBondContact O-N 3.26Å |
| 391 | K | 72.6 | Confident | 77.2 | Confident | 176 Ų | 176 | 95.6 Ų | 95.6 | 77% | 0.765 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -27.4 | 175.8 | -64.1 | 176.8 | -177.3 | 170.5 | 0 | 113 | F389 | F389-K391 PolarHBondContact O-N 3.44Š|
| 392 | E | 68.6 | Low | 77 | Confident | 65 Ų | 65 | 94.1 Ų | 94.1 | 30% | 0.304 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -15.5 | -178.9 | -154.8 | -175.5 | -177.3 | 0 | 0 | 112.8 | R353 F389 Q390 Q394 N395 F396 | R353-E392 IonicContact CZ-OE1 2.86Å; R353-E392 VanDerWaalsContact CZ-OE1 3.3Å; R353-E392 IonicContact CZ-OE2 3.2Å; R353-E392 IonicContact NH1-OE1 3.04Å; R353-E392 PolarHBondContact NH1-OE1 3.37Å; R353-E392 IonicContact NH1-OE2 2.85Å; R353-E392 VanDerWaalsContact NH2-CD 3.3Å; R353-E392 IonicContact NH2-OE1 3.3Å; R353-E392 PolarHBondContact NH2-OE1 3.41Å; R353-E392 IonicContact NH2-OE2 3.84Å; R353-E392 PolarHBondContact NH2-OE2 2.04Å; F389-E392 CarbonylContact O-C 3.57Å; F389-E392 WeakPolarHBondContact O-CA 3.33Å; F389-E392 PolarHBondContact O-N 2.03Å; Q390-E392 VanDerWaalsContact C-N 3.29Å; Q390-E392 PolarHBondContact O-N 3.26Å; E392-Q394 PolarHBondContact O-N 2.98Å; E392-N395 WeakPolarHBondContact O-CB 3Å; E392-N395 PolarHBondContact O-N 3.34Å; E392-F396 HydrophobicContact CG-CE2 4.05Å; E392-F396 WeakPolarHBondContact O-CD2 3.22Å |
| 393 | A | 70.4 | Confident | 76.8 | Confident | 35 Ų | 35 | 92.6 Ų | 92.6 | 29% | 0.289 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -55.7 | -26.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F389 N395 F396 | F389-A393 HydrophobicContact CD1-CB 4.16Å; F389-A393 HydrophobicContact CE1-CB 3.83Å; F389-A393 HydrophobicContact CZ-CB 4.3Å; F389-A393 PolarHBondContact O-N 2.79Å; A393-N395 PolarHBondContact O-N 2.76Å; A393-F396 PolarHBondContact O-N 3.31Å |
| 394 | Q | 74 | Confident | 76 | Confident | 181 Ų | 181 | 87.3 Ų | 87.3 | 85% | 0.846 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -62.4 | -21.4 | 176.7 | -62 | -177.5 | 9.6 | 0 | 0 | 113.4 | E392 F396 | E392-Q394 PolarHBondContact O-N 2.98Å; Q394-F396 VanDerWaalsContact C-N 3.32Å |
| 395 | N | 74.2 | Confident | 74.7 | Confident | 89 Ų | 89 | 86.6 Ų | 86.6 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -88.9 | 1.8 | 178 | -61.5 | -37 | 0 | 0 | 0 | 113 | L339 V340 E392 A393 | L339-N395 HydrophobicContact CD1-CB 3.84Å; V340-N395 PolarHBondContact N-O 2.98Å; E392-N395 WeakPolarHBondContact O-CB 3Å; E392-N395 PolarHBondContact O-N 3.34Å; A393-N395 PolarHBondContact O-N 2.76Å |
| 396 | F | 77.7 | Confident | 73.5 | Confident | 20 Ų | 20 | 84.5 Ų | 84.5 | 9% | 0.088 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140.4 | -175.2 | -71.9 | -94.1 | 0 | 0 | 0 | 111.7 | T338 L339 R353 V355 F389 E392 A393 Q394 | T338-F396 VanDerWaalsContact C-CD1 3.42Å; T338-F396 CarbonylContact O-C 3.5Å; T338-F396 VanDerWaalsContact O-CA 3.28Å; T338-F396 WeakPolarHBondContact O-CA 2.99Å; L339-F396 HydrophobicContact CB-CD1 4.12Å; L339-F396 HydrophobicContact CB-CE1 3.7Å; L339-F396 HydrophobicContact CB-CZ 4.17Å; L339-F396 HydrophobicContact CD1-CD1 4.39Å; L339-F396 HydrophobicContact CD1-CD2 4.14Å; L339-F396 HydrophobicContact CD1-CE1 3.93Å; L339-F396 HydrophobicContact CD1-CE2 3.67Å; L339-F396 HydrophobicContact CD1-CG 4.48Å; L339-F396 HydrophobicContact CD1-CZ 3.55Å; L339-F396 HydrophobicContact CG-CE1 4.45Å; L339-F396 HydrophobicContact CG-CZ 4.46Å; L339-F396 VanDerWaalsContact N-CD1 3.34Å; R353-F396 HydrophobicContact CB-CE1 4.12Å; R353-F396 HydrophobicContact CB-CZ 4.4Å; V355-F396 HydrophobicContact CG2-CD1 3.64Å; V355-F396 HydrophobicContact CG2-CE1 3.34Å; V355-F396 HydrophobicContact CG2-CE2 4.49Å; V355-F396 HydrophobicContact CG2-CG 4.37Å; V355-F396 HydrophobicContact CG2-CZ 3.81Å; F389-F396 AromaticContact CE2-CD2 3.83Å; F389-F396 HydrophobicContact CE2-CD2 3.83Å; F389-F396 AromaticContact CE2-CE2 3.67Å; F389-F396 HydrophobicContact CE2-CE2 3.67Å; F389-F396 HydrophobicContact CE2-CG 4.44Å; F389-F396 HydrophobicContact CE2-CZ 4.16Å; F389-F396 HydrophobicContact CZ-CB 4.46Å; F389-F396 AromaticContact CZ-CD2 3.73Å; F389-F396 HydrophobicContact CZ-CD2 3.73Å; F389-F396 HydrophobicContact CZ-CE2 4.05Å; F389-F396 AromaticContact CZ-CG 4Å; F389-F396 HydrophobicContact CZ-CG 4Å; E392-F396 HydrophobicContact CG-CE2 4.05Å; E392-F396 WeakPolarHBondContact O-CD2 3.22Å; A393-F396 PolarHBondContact O-N 3.31Å; Q394-F396 VanDerWaalsContact C-N 3.32Å |
| 397 | R | 81.4 | Confident | 72.5 | Confident | 177 Ų | 177 | 84.9 Ų | 84.9 | 67% | 0.668 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 135.6 | 174.3 | 177.9 | 179.5 | 172.9 | -175.9 | 0.1 | 109.8 | Y337 T338 V340 L399 | Y337-R397 CarbonylContact C-O 3.58Å; Y337-R397 VanDerWaalsContact CA-O 3.27Å; Y337-R397 WeakPolarHBondContact CA-O 3.35Å; T338-R397 HydrophobicContact CG2-CB 4.49Å; T338-R397 PolarHBondContact N-O 3.32Å; T338-R397 PolarHBondContact O-N 3.26Å; V340-R397 HydrophobicContact CG2-CB 3.79Å; R397-L399 PolarHBondContact O-N 2.98Å |
| 398 | L | 78.6 | Confident | 71.2 | Confident | 92 Ų | 92 | 81.1 Ų | 81.1 | 48% | 0.482 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 126 | 172.3 | -176.1 | 69.5 | 0 | 0 | 0 | 110.2 | Y337 | Y337-L398 HydrophobicContact CD1-CB 4.06Å; Y337-L398 HydrophobicContact CD1-CD1 3.98Å; Y337-L398 HydrophobicContact CE1-CB 4.1Å; Y337-L398 HydrophobicContact CE1-CD1 3.66Å; Y337-L398 HydrophobicContact CE1-CG 4.47Å; Y337-L398 HydrophobicContact CE2-CD1 4.44Å; Y337-L398 HydrophobicContact CG-CD1 4.49Å |
| 399 | L | 78.3 | Confident | 69.8 | Low | 94 Ų | 94 | 81.1 Ų | 81.1 | 49% | 0.492 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -48.2 | 175.1 | -75.7 | -178.9 | 0 | 0 | 0 | 111.9 | V336 T338 F354 R397 | V336-L399 WeakPolarHBondContact O-CB 3.32Å; V336-L399 PolarHBondContact O-N 3.17Å; T338-L399 HydrophobicContact CG2-CD1 3.92Å; T338-L399 HydrophobicContact CG2-CD2 3.58Å; T338-L399 HydrophobicContact CG2-CG 3.61Å; F354-L399 HydrophobicContact CD1-CD1 3.79Å; F354-L399 HydrophobicContact CE1-CD1 3.7Å; R397-L399 PolarHBondContact O-N 2.98Å |
| 400 | T | 73.9 | Confident | 68.2 | Low | 81 Ų | 81 | 87.6 Ų | 87.6 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 159.7 | -177.2 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | V336 | V336-T400 HydrophobicContact CB-CG2 4.01Å; V336-T400 HydrophobicContact CG2-CG2 4.1Å; V336-T400 PolarHBondContact N-O 3.24Å; V336-T400 PolarHBondContact O-N 2.98Å |
| 401 | G | 78.3 | Confident | 66.9 | Low | 37 Ų | 37 | 84.3 Ų | 84.3 | 38% | 0.381 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 142.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V334 | V334-G401 CarbonylContact O-C 3.5Å; V334-G401 VanDerWaalsContact O-CA 3.27Å; V334-G401 WeakPolarHBondContact O-CA 3.29Å |
| 402 | T | 71.4 | Confident | 64.9 | Low | 38 Ų | 38 | 80 Ų | 80 | 23% | 0.233 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 177.9 | 175.1 | -168 | 0 | 0 | 0 | 0 | 109.3 | Q333 V334 W407 | Q333-T402 WeakPolarHBondContact CG-O 3.48Å; V334-T402 PolarHBondContact N-O 2.03Å; V334-T402 PolarHBondContact O-N 3.48Å; V334-T402 VanDerWaalsContact O-O 3.12Å; T402-W407 HydrophobicContact CG2-CB 3.98Å; T402-W407 HydrophobicContact CG2-CE3 3.92Å |
| 403 | H | 71.8 | Confident | 63.5 | Low | 62 Ų | 62 | 84.9 Ų | 84.9 | 29% | 0.287 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 152.4 | 174.2 | 63.1 | -84.5 | 0 | 0 | 0 | 111 | P331 G405 Y406 W407 | P331-H403 HydrophobicContact CB-CB 4.48Å; P331-H403 HydrophobicContact CG-CB 4.43Å; H403-G405 PolarHBondContact O-N 2.94Å; H403-G405 VanDerWaalsContact O-N 3.14Å; H403-Y406 AromaticContact CD2-CD2 3.78Å; H403-Y406 PolarHBondContact CD2-N 3.25Å; H403-Y406 AromaticContact CE1-CD1 3.69Å; H403-Y406 AromaticContact CE1-CD2 2.9Å; H403-Y406 WeakPolarHBondContact CE1-CD2 3.34Å; H403-Y406 AromaticContact CE1-CE1 3.85Å; H403-Y406 AromaticContact CE1-CE2 3.02Å; H403-Y406 WeakPolarHBondContact CE1-CE2 3.25Å; H403-Y406 AromaticContact CE1-CG 3.15Å; H403-Y406 AromaticContact CE1-CZ 3.5Å; H403-Y406 VanDerWaalsContact CE1-CZ 3.5Å; H403-Y406 AromaticContact ND1-CD2 3.97Å; H403-Y406 AromaticContact ND1-CG 3.9Å; H403-Y406 AromaticContact NE2-CD2 2.72Å; H403-Y406 WeakPolarHBondContact NE2-CD2 3.27Å; H403-Y406 AromaticContact NE2-CE2 2.95Å; H403-Y406 WeakPolarHBondContact NE2-CE2 3.08Å; H403-Y406 AromaticContact NE2-CG 3.42Å; H403-Y406 AromaticContact NE2-CZ 3.89Å; H403-Y406 PolarHBondContact O-N 3.05Å; H403-W407 PolarHBondContact O-N 2.81Å |
| 404 | E | 64.9 | Low | 61.8 | Low | 64 Ų | 64 | 87.7 Ų | 87.7 | 30% | 0.299 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.6 | -33.5 | -174.2 | -175.7 | 161.4 | -130.3 | 0 | 0 | 113.1 | G332 V334 H358 Y406 W407 T408 | G332-E404 WeakPolarHBondContact O-CB 3.45Å; G332-E404 PolarHBondContact O-N 2.86Å; V334-E404 HydrophobicContact CG2-CB 3.93Å; V334-E404 HydrophobicContact CG2-CG 4.38Å; H358-E404 IonicContact CE1-OE1 3.35Å; H358-E404 IonicContact ND1-OE1 3.23Å; H358-E404 PolarHBondContact ND1-OE1 3.44Å; E404-Y406 PolarHBondContact O-N 3.1Å; E404-W407 PolarHBondContact O-N 2.79Å; E404-T408 WeakPolarHBondContact O-CG2 3.47Å; E404-T408 PolarHBondContact O-N 3.44Å; E404-T408 PolarHBondContact O-OG1 3.4Å |
| 405 | G | 55.2 | Low | 59.7 | Low | 27 Ų | 27 | 84.5 Ų | 84.5 | 28% | 0.278 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H403 T408 V409 | H403-G405 PolarHBondContact O-N 2.94Å; H403-G405 VanDerWaalsContact O-N 3.14Å; G405-T408 PolarHBondContact O-OG1 3.19Å; G405-V409 WeakPolarHBondContact O-CG2 3.4Å |
| 406 | Y | 57 | Low | 57.7 | Low | 109 Ų | 109 | 88.6 Ų | 88.6 | 43% | 0.427 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -83.2 | -32.1 | 175.1 | -82.3 | -146.7 | 0 | 0 | 0 | 111 | H403 E404 T408 V409 F410 | H403-Y406 AromaticContact CD2-CD2 3.78Å; H403-Y406 PolarHBondContact CD2-N 3.25Å; H403-Y406 AromaticContact CE1-CD1 3.69Å; H403-Y406 AromaticContact CE1-CD2 2.9Å; H403-Y406 WeakPolarHBondContact CE1-CD2 3.34Å; H403-Y406 AromaticContact CE1-CE1 3.85Å; H403-Y406 AromaticContact CE1-CE2 3.02Å; H403-Y406 WeakPolarHBondContact CE1-CE2 3.25Å; H403-Y406 AromaticContact CE1-CG 3.15Å; H403-Y406 AromaticContact CE1-CZ 3.5Å; H403-Y406 VanDerWaalsContact CE1-CZ 3.5Å; H403-Y406 AromaticContact ND1-CD2 3.97Å; H403-Y406 AromaticContact ND1-CG 3.9Å; H403-Y406 AromaticContact NE2-CD2 2.72Å; H403-Y406 WeakPolarHBondContact NE2-CD2 3.27Å; H403-Y406 AromaticContact NE2-CE2 2.95Å; H403-Y406 WeakPolarHBondContact NE2-CE2 3.08Å; H403-Y406 AromaticContact NE2-CG 3.42Å; H403-Y406 AromaticContact NE2-CZ 3.89Å; H403-Y406 PolarHBondContact O-N 3.05Å; E404-Y406 PolarHBondContact O-N 3.1Å; Y406-T408 PolarHBondContact O-N 2.89Å; Y406-V409 WeakPolarHBondContact O-CB 3.49Å; Y406-V409 PolarHBondContact O-N 3.03Å; Y406-F410 WeakPolarHBondContact O-CD2 3.5Å; Y406-F410 PolarHBondContact O-N 2.89Å |
| 407 | W | 63.2 | Low | 55.5 | Low | 46 Ų | 46 | 93.3 Ų | 93.3 | 17% | 0.174 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 176.3 | -174.3 | -107.3 | 0 | 0 | 0 | 112.8 | V334 V336 L356 H358 T402 H403 E404 V409 F410 L411 | V334-W407 HydrophobicContact CB-CB 4.12Å; V334-W407 HydrophobicContact CB-CD2 4.38Å; V334-W407 HydrophobicContact CB-CG 4.06Å; V334-W407 HydrophobicContact CG1-CB 4.31Å; V334-W407 HydrophobicContact CG1-CD2 3.68Å; V334-W407 HydrophobicContact CG1-CE3 4.14Å; V334-W407 HydrophobicContact CG1-CG 3.71Å; V334-W407 HydrophobicContact CG2-CB 3.94Å; V334-W407 HydrophobicContact CG2-CG 4.04Å; V336-W407 HydrophobicContact CG2-CH2 3.61Å; V336-W407 HydrophobicContact CG2-CZ3 3.62Å; L356-W407 HydrophobicContact CD1-CD2 4.26Å; L356-W407 HydrophobicContact CD1-CH2 3.68Å; L356-W407 HydrophobicContact CD1-CZ2 3.2Å; L356-W407 HydrophobicContact CD1-CZ3 4.36Å; L356-W407 HydrophobicContact CD2-CZ2 3.63Å; L356-W407 HydrophobicContact CG-CZ2 4.04Å; H358-W407 AromaticContact CE1-CD1 3.74Å; H358-W407 AromaticContact NE2-CD1 3.92Å; H358-W407 AromaticContact NE2-NE1 3.77Å; T402-W407 HydrophobicContact CG2-CB 3.98Å; T402-W407 HydrophobicContact CG2-CE3 3.92Å; H403-W407 PolarHBondContact O-N 2.81Å; E404-W407 PolarHBondContact O-N 2.79Å; W407-V409 PolarHBondContact O-N 3.33Å; W407-F410 WeakPolarHBondContact O-CB 3.46Å; W407-F410 PolarHBondContact O-N 3.49Å; W407-L411 VanDerWaalsContact CD1-CD1 3.46Å; W407-L411 PolarHBondContact O-N 2.85Å; W407-L411 VanDerWaalsContact O-N 3.09Å |
| 408 | T | 52.2 | Low | 52.9 | Low | 71 Ų | 71 | 93.6 Ų | 93.6 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -27.8 | 177.3 | 47.8 | 0 | 0 | 0 | 0 | 113.1 | E404 G405 Y406 F410 L411 A412 | E404-T408 WeakPolarHBondContact O-CG2 3.47Å; E404-T408 PolarHBondContact O-N 3.44Å; E404-T408 PolarHBondContact O-OG1 3.4Å; G405-T408 PolarHBondContact O-OG1 3.19Å; Y406-T408 PolarHBondContact O-N 2.89Å; T408-F410 VanDerWaalsContact C-N 3.3Å; T408-F410 PolarHBondContact O-N 2.98Å; T408-L411 PolarHBondContact O-N 3.44Å; T408-A412 WeakPolarHBondContact O-CB 3.36Å; T408-A412 PolarHBondContact O-N 2.9Å; T408-A412 VanDerWaalsContact O-N 3.13Å |
| 409 | V | 48.2 | Very low | 50.5 | Low | 91 Ų | 91 | 95.2 Ų | 95.2 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.5 | -32.3 | 172.3 | 178 | 0 | 0 | 0 | 0 | 111.7 | G405 Y406 W407 | G405-V409 WeakPolarHBondContact O-CG2 3.4Å; Y406-V409 WeakPolarHBondContact O-CB 3.49Å; Y406-V409 PolarHBondContact O-N 3.03Å; W407-V409 PolarHBondContact O-N 3.33Å |
| 410 | F | 45.2 | Very low | 48 | Very low | 148 Ų | 148 | 97 Ų | 97 | 65% | 0.649 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -80 | -31.7 | 175.5 | -67.7 | -76.5 | 0 | 0 | 0 | 113 | Y406 W407 T408 | Y406-F410 WeakPolarHBondContact O-CD2 3.5Å; Y406-F410 PolarHBondContact O-N 2.89Å; W407-F410 WeakPolarHBondContact O-CB 3.46Å; W407-F410 PolarHBondContact O-N 3.49Å; T408-F410 VanDerWaalsContact C-N 3.3Å; T408-F410 PolarHBondContact O-N 2.98Å |
| 411 | L | 48.3 | Very low | 45.7 | Very low | 67 Ų | 67 | 97.2 Ų | 97.2 | 35% | 0.351 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -75.6 | -29.1 | 178.6 | -78.1 | 173.4 | 0 | 0 | 0 | 114 | W407 T408 Q413 T414 | W407-L411 VanDerWaalsContact CD1-CD1 3.46Å; W407-L411 PolarHBondContact O-N 2.85Å; W407-L411 VanDerWaalsContact O-N 3.09Å; T408-L411 PolarHBondContact O-N 3.44Å; L411-Q413 PolarHBondContact O-N 3.33Å; L411-T414 PolarHBondContact O-N 3.45Å; L411-T414 PolarHBondContact O-OG1 3.11Å |
| 412 | A | 31.4 | Very low | 43.2 | Very low | 87 Ų | 87 | 100.5 Ų | 100.5 | 72% | 0.719 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 5.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T408 | T408-A412 WeakPolarHBondContact O-CB 3.36Å; T408-A412 PolarHBondContact O-N 2.9Å; T408-A412 VanDerWaalsContact O-N 3.13Å |
| 413 | Q | 38 | Very low | 41.2 | Very low | 167 Ų | 167 | 104 Ų | 104 | 78% | 0.78 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -4.1 | 179.1 | -64.8 | -173.3 | 3.7 | 0 | 0 | 114.5 | L411 P415 | L411-Q413 PolarHBondContact O-N 3.33Å; Q413-P415 WeakPolarHBondContact O-CD 3.1Å |
| 414 | T | 34 | Very low | 39.2 | Very low | 93 Ų | 93 | 108.3 Ų | 108.3 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -91.9 | 113.4 | 164.3 | 34.1 | 0 | 0 | 0 | 0 | 108.6 | L411 E416 | L411-T414 PolarHBondContact O-N 3.45Å; L411-T414 PolarHBondContact O-OG1 3.11Å; T414-E416 PolarHBondContact O-N 2.74Å |
| 415 | P | 30.6 | Very low | 37.5 | Very low | 114 Ų | 114 | 115.1 Ų | 115.1 | 74% | 0.74 | 64% | 0.637 | S | S | * | * | trans | -52.8 | 135.5 | 158.4 | 24.6 | -30.2 | 0 | 0 | 0 | 106 | Q413 L417 | Q413-P415 WeakPolarHBondContact O-CD 3.1Å; P415-L417 PolarHBondContact O-N 3.17Å | ||
| 416 | E | 32.3 | Very low | 36.2 | Very low | 175 Ų | 175 | 119.5 Ų | 119.5 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | trans | -38.7 | 111.1 | 174.4 | -71.8 | -179.5 | 156.1 | 0 | 0 | 108.2 | T414 K418 | T414-E416 PolarHBondContact O-N 2.74Å; E416-K418 PolarHBondContact O-N 2.81Å | ||
| 417 | L | 32.3 | Very low | 34.9 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 63% | 0.628 | 67% | 0.674 | S | S | * | * | trans | -57.3 | 97 | 163.2 | -93.3 | 148.9 | 0 | 0 | 0 | 103.4 | L378 P415 V419 | L378-L417 HydrophobicContact CD2-CD1 3.9Å; P415-L417 PolarHBondContact O-N 3.17Å; L417-V419 PolarHBondContact O-N 2.72Å | ||
| 418 | K | 26.2 | Very low | 33.1 | Very low | 183 Ų | 183 | 127.7 Ų | 127.7 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | trans | -59.1 | 90.5 | 160.9 | -84.8 | -176.6 | 176.7 | 178.5 | 0 | 104.3 | E416 T420 | E416-K418 PolarHBondContact O-N 2.81Å; K418-T420 PolarHBondContact O-N 2.69Å | ||
| 419 | V | 28 | Very low | 31.9 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 76% | 0.758 | 72% | 0.723 | S | S | * | * | trans | -60.5 | 94 | 162.3 | 179 | 0 | 0 | 0 | 0 | 103.1 | L417 A421 | L417-V419 PolarHBondContact O-N 2.72Å; V419-A421 VanDerWaalsContact C-N 3.25Å; V419-A421 PolarHBondContact O-N 2.77Å | ||
| 420 | T | 25.6 | Very low | 31.1 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -56.5 | 104.6 | 160.1 | 26.4 | 0 | 0 | 0 | 0 | 105 | K418 S422 | K418-T420 PolarHBondContact O-N 2.69Å; T420-S422 PolarHBondContact O-N 2.67Å; T420-S422 VanDerWaalsContact O-N 3.08Å | ||
| 421 | A | 26 | Very low | 30.4 | Very low | 85 Ų | 85 | 137 Ų | 137 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 118.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | V419 | V419-A421 VanDerWaalsContact C-N 3.25Å; V419-A421 PolarHBondContact O-N 2.77Å |
| 422 | S | 25.9 | Very low | 29.4 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 130.2 | 164.3 | 178 | 0 | 0 | 0 | 0 | 106.6 | T420 D424 | T420-S422 PolarHBondContact O-N 2.67Å; T420-S422 VanDerWaalsContact O-N 3.08Å; S422-D424 PolarHBondContact O-N 3.47Å |
| 423 | P | 29.1 | Very low | 29.3 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 138.3 | 178.7 | 23.9 | -30.8 | 0 | 0 | 0 | 109.3 | K425 | P423-K425 PolarHBondContact O-N 2.81Å; P423-K425 VanDerWaalsContact O-N 3.13Å |
| 424 | D | 28.9 | Very low | 28.8 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -41.4 | 115.4 | 175.3 | -67.9 | -58.4 | 0 | 0 | 0 | 111 | S422 V426 | S422-D424 PolarHBondContact O-N 3.47Å; D424-V426 PolarHBondContact O-N 2.72Å | ||
| 425 | K | 30.2 | Very low | 28.5 | Very low | 207 Ų | 207 | 145.3 Ų | 145.3 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | trans | -79.5 | 89.5 | 161.8 | -153.4 | 177.1 | -173.3 | -175.8 | 0 | 106.6 | P423 T427 | P423-K425 PolarHBondContact O-N 2.81Å; P423-K425 VanDerWaalsContact O-N 3.13Å; K425-T427 PolarHBondContact O-N 3.13Å | ||
| 426 | V | 26.9 | Very low | 28.4 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 72% | 0.715 | 81% | 0.806 | S | S | * | * | trans | -37.1 | 122.8 | 167.2 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | D424 K428 | D424-V426 PolarHBondContact O-N 2.72Å; V426-K428 PolarHBondContact O-N 3.44Å | ||
| 427 | T | 30.3 | Very low | 28.1 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | trans | -43.5 | 117.7 | 162.1 | -33.9 | 0 | 0 | 0 | 0 | 109.4 | K425 | K425-T427 PolarHBondContact O-N 3.13Š| ||
| 428 | K | 25.9 | Very low | 27.8 | Very low | 202 Ų | 202 | 147.4 Ų | 147.4 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | trans | -121.6 | 98 | 157.2 | -130.9 | 177.9 | -175.1 | 178.3 | 0 | 107.8 | V426 | V426-K428 PolarHBondContact O-N 3.44Š| ||
| 429 | T | 27.4 | Very low | 27.9 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | -35.1 | 126.8 | 153.2 | -1.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 430 | L | 30.4 | Very low | 27.9 | Very low | 245 Ų | 245 | 146.2 Ų | 146.2 | 100% | 1.283 | 83% | 0.827 | S | S | * | * | -158.8 | 0 | 128.5 | -102.2 | 162.9 | 0 | 0 | 0 | 108.4 |
Retrieved 430 of 430 residues in 63.6 ms
(Link to these results)