| 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 | 39.4 | Very low | 47.3 | Very low | 241 Ų | 241 | 161.3 Ų | 161.3 | 100% | 1.187 | 77% | 0.768 | S | S | * | * | 0 | 70 | 0 | -67 | -77 | -176.6 | 0 | 0 | 107.9 | |||||
| 2 | Q | 37.9 | Very low | 49.7 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | -86.4 | 116.1 | 178.5 | -164.1 | 149 | -9 | 0 | 0 | 106.3 | D4 | Q2-D4 VanDerWaalsContact C-N 3.25Å; Q2-D4 PolarHBondContact O-N 3.42Å | ||
| 3 | R | 46.4 | Very low | 52.5 | Low | 230 Ų | 230 | 149.5 Ų | 149.5 | 87% | 0.868 | 74% | 0.739 | S | S | * | * | trans | -75.4 | 88.5 | 172.6 | -67.5 | -175.9 | -176.9 | 104.4 | -0.9 | 106.4 | C5 | R3-C5 PolarHBondContact O-N 3.5Š| ||
| 4 | D | 41.3 | Very low | 55.4 | Low | 120 Ų | 120 | 145.2 Ų | 145.2 | 64% | 0.642 | 73% | 0.727 | S | S | * | * | trans | -72.3 | 81.4 | 166 | -64.4 | -41.8 | 0 | 0 | 0 | 107.3 | Q2 I6 | Q2-D4 VanDerWaalsContact C-N 3.25Å; Q2-D4 PolarHBondContact O-N 3.42Å; D4-I6 HydrophobicContact CB-CG1 4.46Å; D4-I6 PolarHBondContact O-N 3.31Å | ||
| 5 | C | 41.2 | Very low | 58 | Low | 99 Ų | 99 | 140.2 Ų | 140.2 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | trans | -68.7 | 81.8 | 159.6 | -63.4 | 0 | 0 | 0 | 0 | 106.3 | R3 M7 | R3-C5 PolarHBondContact O-N 3.5Å; C5-M7 PolarHBondContact O-N 2.67Å | ||
| 6 | I | 44.7 | Very low | 60.4 | Low | 143 Ų | 143 | 137.4 Ų | 137.4 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | trans | -59.4 | 96.3 | 163.9 | -62.2 | 174.1 | 0 | 0 | 0 | 105.1 | D4 D8 | D4-I6 HydrophobicContact CB-CG1 4.46Å; D4-I6 PolarHBondContact O-N 3.31Å; I6-D8 PolarHBondContact O-N 3.07Å | ||
| 7 | M | 51.8 | Low | 62.5 | Low | 151 Ų | 151 | 132.8 Ų | 132.8 | 74% | 0.744 | 69% | 0.686 | S | S | * | * | trans | -61.7 | 107.6 | 164.1 | -74.9 | -72.5 | 164.3 | 0 | 0 | 105.1 | C5 Y9 | C5-M7 PolarHBondContact O-N 2.67Å; M7-Y9 PolarHBondContact O-N 3.44Å | ||
| 8 | D | 44.8 | Very low | 64.4 | Low | 144 Ų | 144 | 130.6 Ų | 130.6 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | trans | -65.1 | 74.6 | 167.9 | -132.2 | -65.7 | 0 | 0 | 0 | 106.9 | I6 K10 | I6-D8 PolarHBondContact O-N 3.07Å; D8-K10 PolarHBondContact O-N 3.27Å | ||
| 9 | Y | 54.3 | Low | 66 | Low | 172 Ų | 172 | 127.9 Ų | 127.9 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | trans | -78 | 43.5 | -175.2 | -149 | -87.8 | 0 | 0 | 0 | 109.9 | M7 E11 | M7-Y9 PolarHBondContact O-N 3.44Å; Y9-E11 HydrophobicContact CD1-CG 3.83Å; Y9-E11 HydrophobicContact CE1-CG 3.45Å; Y9-E11 VanDerWaalsContact CE1-CG 3.45Å; Y9-E11 WeakPolarHBondContact CE1-OE1 3.39Å; Y9-E11 PolarHBondContact O-N 2.9Å; Y9-E11 VanDerWaalsContact O-N 3.11Å; Y9-E11 PolarHBondContact OH-OE1 3.34Å | ||
| 10 | K | 57 | Low | 67.5 | Low | 174 Ų | 174 | 124 Ų | 124 | 76% | 0.757 | 65% | 0.65 | S | S | * | * | trans | -76.6 | 79.7 | 147.3 | -96 | -166.4 | 174.6 | -173.8 | 0 | 105.5 | D8 S12 | D8-K10 PolarHBondContact O-N 3.27Å; K10-S12 PolarHBondContact O-N 2.88Å; K10-S12 PolarHBondContact O-OG 3.43Å | ||
| 11 | E | 61.6 | Low | 68.8 | Low | 131 Ų | 131 | 121.2 Ų | 121.2 | 61% | 0.612 | 64% | 0.641 | S | S | * | * | trans | -48.4 | 100.5 | 157.2 | -81 | -178 | 164.2 | 0 | 0 | 105.8 | Y9 C13 | Y9-E11 HydrophobicContact CD1-CG 3.83Å; Y9-E11 HydrophobicContact CE1-CG 3.45Å; Y9-E11 VanDerWaalsContact CE1-CG 3.45Å; Y9-E11 WeakPolarHBondContact CE1-OE1 3.39Å; Y9-E11 PolarHBondContact O-N 2.9Å; Y9-E11 VanDerWaalsContact O-N 3.11Å; Y9-E11 PolarHBondContact OH-OE1 3.34Å; E11-C13 PolarHBondContact O-N 3.17Å | ||
| 12 | S | 76 | Confident | 71.4 | Confident | 54 Ų | 54 | 113.3 Ų | 113.3 | 38% | 0.378 | 60% | 0.604 | S | S | . | * | trans | -70.2 | 106.7 | -174.7 | -67 | 0 | 0 | 0 | 0 | 105.3 | K10 P14 G41 | K10-S12 PolarHBondContact O-N 2.88Å; K10-S12 PolarHBondContact O-OG 3.43Å; S12-P14 VanDerWaalsContact O-N 3.11Å; S12-G41 WeakPolarHBondContact OG-CA 3.23Å | ||
| 13 | C | 85.9 | Confident | 74 | Confident | 115 Ų | 115 | 111.2 Ų | 111.2 | 78% | 0.777 | 59% | 0.594 | S | S | * | * | trans | -48.5 | 123.3 | 179.4 | -63.9 | 0 | 0 | 0 | 0 | 108.3 | E11 S15 | E11-C13 PolarHBondContact O-N 3.17Å; C13-S15 PolarHBondContact O-N 3.44Å | ||
| 14 | P | 93.1 | Very high | 76.1 | Confident | 90 Ų | 90 | 104.2 Ų | 104.2 | 58% | 0.584 | 57% | 0.571 | S | S | * | * | trans | -61.7 | 132.3 | -177.4 | 24.9 | -33.7 | 0 | 0 | 0 | 109.2 | S12 S39 V40 | S12-P14 VanDerWaalsContact O-N 3.11Å; P14-S39 WeakPolarHBondContact CA-O 3.29Å; P14-V40 HydrophobicContact CB-CG2 3.96Å | ||
| 15 | S | 94.6 | Very high | 78.4 | Confident | 70 Ų | 70 | 107.7 Ų | 107.7 | 49% | 0.49 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 140 | 167.8 | 71.9 | 0 | 0 | 0 | 0 | 109.2 | C13 S39 | C13-S15 PolarHBondContact O-N 3.44Å; S15-S39 PolarHBondContact N-O 3.28Å; S15-S39 PolarHBondContact O-N 3.14Å; S15-S39 WeakPolarHBondContact OG-CB 3.26Å |
| 16 | V | 95.8 | Very high | 80.3 | Confident | 95 Ų | 95 | 108.7 Ų | 108.7 | 58% | 0.576 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -135 | 134.8 | -175 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | V36 L37 V38 | V16-V36 HydrophobicContact CG1-CG1 3.45Å; V16-V36 VanDerWaalsContact CG1-CG1 3.45Å; V16-L37 WeakPolarHBondContact CA-O 3.4Å; V16-V38 HydrophobicContact CG2-CG1 4.33Å; V16-V38 HydrophobicContact CG2-CG2 4.29Å |
| 17 | S | 96.6 | Very high | 82.2 | Confident | 59 Ų | 59 | 110.9 Ų | 110.9 | 41% | 0.413 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -139.7 | 157.7 | 171.3 | 63.6 | 0 | 0 | 0 | 0 | 111.3 | P19 L37 | S17-P19 VanDerWaalsContact C-CD 3.45Å; S17-P19 VanDerWaalsContact O-CD 3.25Å; S17-P19 WeakPolarHBondContact O-CD 3.38Å; S17-L37 PolarHBondContact N-O 3.38Å; S17-L37 PolarHBondContact O-N 3.42Å |
| 18 | I | 96.4 | Very high | 83.8 | Confident | 94 Ų | 94 | 113.9 Ų | 113.9 | 48% | 0.482 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.5 | 82.7 | 177.3 | -52.6 | 179.1 | 0 | 0 | 0 | 107.8 | S20 Y34 V36 | I18-S20 VanDerWaalsContact C-N 3.31Å; I18-S20 PolarHBondContact O-N 3.1Å; I18-Y34 HydrophobicContact CG2-CD1 3.99Å; I18-Y34 HydrophobicContact CG2-CG 4.49Å; I18-V36 HydrophobicContact CG1-CG2 4.41Å |
| 19 | P | 96.1 | Very high | 85.6 | Confident | 79 Ų | 79 | 113.6 Ų | 113.6 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67 | -27.7 | -176.6 | 24.4 | -37.3 | 0 | 0 | 0 | 114.1 | S17 K35 L37 | S17-P19 VanDerWaalsContact C-CD 3.45Å; S17-P19 VanDerWaalsContact O-CD 3.25Å; S17-P19 WeakPolarHBondContact O-CD 3.38Å; P19-K35 WeakPolarHBondContact CD-O 3.48Å; P19-L37 HydrophobicContact CG-CB 4.42Å |
| 20 | S | 95.4 | Very high | 87.3 | Confident | 50 Ų | 50 | 113.6 Ų | 113.6 | 35% | 0.35 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -157.7 | 168.8 | -178 | 69.6 | 0 | 0 | 0 | 0 | 113.2 | I18 K35 | I18-S20 VanDerWaalsContact C-N 3.31Å; I18-S20 PolarHBondContact O-N 3.1Å; S20-K35 PolarHBondContact O-N 3.42Å |
| 21 | S | 95.1 | Very high | 89 | Confident | 65 Ų | 65 | 107.9 Ų | 107.9 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 142.4 | 170.4 | 62 | 0 | 0 | 0 | 0 | 110.5 | V33 | S21-V33 CarbonylContact C-O 3.52Å; S21-V33 VanDerWaalsContact CA-O 3.3Å; S21-V33 WeakPolarHBondContact CA-O 3.21Å |
| 22 | D | 94.3 | Very high | 90.5 | Very high | 76 Ų | 76 | 104.4 Ų | 104.4 | 41% | 0.406 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.7 | -177 | -64.1 | -79.9 | 0 | 0 | 0 | 110.4 | H24 V33 | D22-H24 PolarHBondContact O-N 2.89Å; D22-H24 PolarHBondContact O-ND1 2.96Å; D22-V33 PolarHBondContact N-O 2.82Å; D22-V33 PolarHBondContact O-N 3.29Å |
| 23 | E | 92.8 | Very high | 91.5 | Very high | 124 Ų | 124 | 102.5 Ų | 102.5 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 115 | 171.7 | -172 | -178.6 | 109.3 | 0 | 0 | 109.5 | ||
| 24 | H | 90.4 | Very high | 92.1 | Very high | 83 Ų | 83 | 100.3 Ų | 100.3 | 38% | 0.384 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 128.6 | 172 | -72.8 | 75.9 | 0 | 0 | 0 | 109.9 | D22 R30 F31 V33 | D22-H24 PolarHBondContact O-N 2.89Å; D22-H24 PolarHBondContact O-ND1 2.96Å; H24-R30 WeakPolarHBondContact O-CA 3.34Å; H24-F31 HydrophobicContact CB-CD1 4.44Å; H24-F31 HydrophobicContact CB-CD2 3.73Å; H24-F31 HydrophobicContact CB-CE1 4.09Å; H24-F31 HydrophobicContact CB-CE2 3.31Å; H24-F31 HydrophobicContact CB-CG 4.28Å; H24-F31 HydrophobicContact CB-CZ 3.52Å; H24-F31 AromaticContact CG-CE2 3.88Å; H24-F31 PolarHBondContact N-O 2.97Å; H24-F31 PolarHBondContact O-N 3.48Å; H24-V33 HydrophobicContact CB-CG2 4.39Å; H24-V33 WeakPolarHBondContact ND1-CG2 3.35Å |
| 25 | R | 87.9 | Confident | 92.2 | Very high | 193 Ų | 193 | 98.9 Ų | 98.9 | 73% | 0.728 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 116.6 | 178.3 | -169.9 | 171.9 | 178.8 | -179.9 | 0 | 109.7 | R30 | R25-R30 HydrophobicContact CG-CG 4.22Å |
| 26 | E | 82.6 | Confident | 92.4 | Very high | 121 Ų | 121 | 96 Ų | 96 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 108.2 | 173.7 | -165.8 | -177.3 | 178.3 | 0 | 0 | 109.1 | K28 K29 F31 | E26-K28 PolarHBondContact O-N 2.82Å; E26-K29 PolarHBondContact N-O 2.93Å; E26-K29 PolarHBondContact O-N 3.28Å; E26-F31 HydrophobicContact CB-CE1 4.14Å |
| 27 | K | 84.3 | Confident | 92.5 | Very high | 189 Ų | 189 | 93.4 Ų | 93.4 | 82% | 0.822 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | -110.6 | -177.5 | -56.4 | 175.3 | -177.3 | 174.6 | 0 | 111.8 | ||
| 28 | K | 85.1 | Confident | 92.5 | Very high | 214 Ų | 214 | 91.7 Ų | 91.7 | 93% | 0.93 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -5.6 | 177.8 | -84.7 | -176 | 175.1 | -179.7 | 0 | 113.8 | E26 | E26-K28 PolarHBondContact O-N 2.82Š|
| 29 | K | 83.6 | Confident | 92.4 | Very high | 138 Ų | 138 | 87.8 Ų | 87.8 | 60% | 0.6 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 135.1 | -176.7 | -158.1 | 171.7 | -175.8 | 173.8 | 0 | 110.3 | E26 | E26-K29 PolarHBondContact N-O 2.93Å; E26-K29 PolarHBondContact O-N 3.28Å |
| 30 | R | 89.2 | Confident | 92.3 | Very high | 171 Ų | 171 | 86.7 Ų | 86.7 | 65% | 0.645 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138.2 | 171.5 | -64 | -177.5 | -65.3 | 165.8 | 0.6 | 108.4 | H24 R25 | H24-R30 WeakPolarHBondContact O-CA 3.34Å; R25-R30 HydrophobicContact CG-CG 4.22Å |
| 31 | F | 91.9 | Very high | 92 | Very high | 54 Ų | 54 | 86.5 Ų | 86.5 | 24% | 0.237 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 139.4 | 172.1 | 55 | -87.8 | 0 | 0 | 0 | 110.3 | H24 E26 V33 R50 | H24-F31 HydrophobicContact CB-CD1 4.44Å; H24-F31 HydrophobicContact CB-CD2 3.73Å; H24-F31 HydrophobicContact CB-CE1 4.09Å; H24-F31 HydrophobicContact CB-CE2 3.31Å; H24-F31 HydrophobicContact CB-CG 4.28Å; H24-F31 HydrophobicContact CB-CZ 3.52Å; H24-F31 AromaticContact CG-CE2 3.88Å; H24-F31 PolarHBondContact N-O 2.97Å; H24-F31 PolarHBondContact O-N 3.48Å; E26-F31 HydrophobicContact CB-CE1 4.14Å; F31-V33 HydrophobicContact CD2-CG2 3.62Å; F31-V33 HydrophobicContact CE2-CG2 3.68Å; F31-R50 HydrophobicContact CD2-CG 4.17Å |
| 32 | T | 94.7 | Very high | 91.8 | Very high | 59 Ų | 59 | 95.5 Ų | 95.5 | 36% | 0.362 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 131.2 | 173.5 | -52.3 | 0 | 0 | 0 | 0 | 109.3 | Y34 | T32-Y34 HydrophobicContact CG2-CE1 4.35Å; T32-Y34 HydrophobicContact CG2-CE2 4.27Å |
| 33 | V | 96.5 | Very high | 91.7 | Very high | 13 Ų | 13 | 95.4 Ų | 95.4 | 8% | 0.079 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.4 | 173 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | S21 D22 H24 F31 F48 R50 | S21-V33 CarbonylContact C-O 3.52Å; S21-V33 VanDerWaalsContact CA-O 3.3Å; S21-V33 WeakPolarHBondContact CA-O 3.21Å; D22-V33 PolarHBondContact N-O 2.82Å; D22-V33 PolarHBondContact O-N 3.29Å; H24-V33 HydrophobicContact CB-CG2 4.39Å; H24-V33 WeakPolarHBondContact ND1-CG2 3.35Å; F31-V33 HydrophobicContact CD2-CG2 3.62Å; F31-V33 HydrophobicContact CE2-CG2 3.68Å; V33-F48 HydrophobicContact CG1-CB 3.72Å; V33-F48 HydrophobicContact CG1-CD1 4.05Å; V33-F48 HydrophobicContact CG1-CG 4.38Å; V33-R50 HydrophobicContact CG2-CG 4.27Å |
| 34 | Y | 97.3 | Very high | 91.9 | Very high | 70 Ų | 70 | 95.7 Ų | 95.7 | 28% | 0.275 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 131.5 | 175.8 | -62.4 | -84.3 | 0 | 0 | 0 | 109.4 | I18 T32 F48 R49 F54 | I18-Y34 HydrophobicContact CG2-CD1 3.99Å; I18-Y34 HydrophobicContact CG2-CG 4.49Å; T32-Y34 HydrophobicContact CG2-CE1 4.35Å; T32-Y34 HydrophobicContact CG2-CE2 4.27Å; Y34-F48 WeakPolarHBondContact O-CA 3.44Å; Y34-R49 PolarHBondContact N-O 3.01Å; Y34-R49 PolarHBondContact O-N 3.04Å; Y34-R49 VanDerWaalsContact O-N 3.14Å; Y34-F54 HydrophobicContact CD2-CE2 4.03Å; Y34-F54 HydrophobicContact CG-CE2 4.37Å |
| 35 | K | 96.9 | Very high | 92.3 | Very high | 60 Ų | 60 | 97.5 Ų | 97.5 | 26% | 0.261 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 103.9 | 173.2 | -176.1 | 177.6 | 179.8 | -176.6 | 0 | 107.7 | P19 S20 F46 F48 | P19-K35 WeakPolarHBondContact CD-O 3.48Å; S20-K35 PolarHBondContact O-N 3.42Å; K35-F46 HydrophobicContact CD-CD1 4.09Å; K35-F46 HydrophobicContact CD-CE1 4.2Å; K35-F46 VanDerWaalsContact CE-CZ 3.45Å; K35-F46 HydrophobicContact CG-CD1 3.63Å; K35-F46 HydrophobicContact CG-CE1 4.13Å; K35-F46 HydrophobicContact CG-CG 4.2Å; K35-F48 HydrophobicContact CB-CD1 4.48Å; K35-F48 HydrophobicContact CB-CE1 4.23Å; K35-F48 HydrophobicContact CD-CE1 4.31Å; K35-F48 HydrophobicContact CG-CE1 3.95Å; K35-F48 HydrophobicContact CG-CZ 4.44Å |
| 36 | V | 97.4 | Very high | 92.7 | Very high | 10 Ų | 10 | 93 Ų | 93 | 6% | 0.061 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 122.3 | -178.5 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | V16 I18 V38 F46 V47 F54 | V16-V36 HydrophobicContact CG1-CG1 3.45Å; V16-V36 VanDerWaalsContact CG1-CG1 3.45Å; I18-V36 HydrophobicContact CG1-CG2 4.41Å; V36-V38 HydrophobicContact CG1-CG2 3.98Å; V36-F46 CarbonylContact O-C 3.57Å; V36-F46 WeakPolarHBondContact O-CA 3.5Å; V36-V47 HydrophobicContact CB-CB 4.38Å; V36-V47 WeakPolarHBondContact CB-O 3.47Å; V36-V47 PolarHBondContact N-O 2.83Å; V36-V47 PolarHBondContact O-N 3.18Å; V36-F54 HydrophobicContact CG2-CZ 3.77Å |
| 37 | L | 97.4 | Very high | 93.4 | Very high | 39 Ų | 39 | 89 Ų | 89 | 20% | 0.204 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 122.4 | 169 | 179.7 | 61.6 | 0 | 0 | 0 | 108.4 | V16 S17 P19 E44 F46 | V16-L37 WeakPolarHBondContact CA-O 3.4Å; S17-L37 PolarHBondContact N-O 3.38Å; S17-L37 PolarHBondContact O-N 3.42Å; P19-L37 HydrophobicContact CG-CB 4.42Å; L37-E44 HydrophobicContact CD1-CB 4.22Å; L37-F46 HydrophobicContact CB-CD1 4.28Å; L37-F46 HydrophobicContact CB-CE1 3.97Å; L37-F46 HydrophobicContact CD1-CD1 4.17Å; L37-F46 HydrophobicContact CD1-CE1 3.76Å; L37-F46 HydrophobicContact CD1-CZ 4.17Å; L37-F46 HydrophobicContact CG-CE1 4.37Å |
| 38 | V | 96.9 | Very high | 94 | Very high | 23 Ų | 23 | 85.6 Ų | 85.6 | 14% | 0.139 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.9 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 108 | V16 V36 V40 E44 W45 V47 | V16-V38 HydrophobicContact CG2-CG1 4.33Å; V16-V38 HydrophobicContact CG2-CG2 4.29Å; V36-V38 HydrophobicContact CG1-CG2 3.98Å; V38-V40 HydrophobicContact CG1-CG2 4.11Å; V38-E44 VanDerWaalsContact O-CA 3.3Å; V38-E44 WeakPolarHBondContact O-CA 3.5Å; V38-W45 HydrophobicContact CB-CZ2 4.35Å; V38-W45 HydrophobicContact CG1-CH2 4.38Å; V38-W45 HydrophobicContact CG1-CZ2 3.83Å; V38-W45 PolarHBondContact N-O 3.17Å; V38-W45 PolarHBondContact O-N 3.46Å; V38-V47 HydrophobicContact CG2-CG2 4.1Å |
| 39 | S | 95.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 80.8 Ų | 80.8 | 8% | 0.084 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123 | 177 | -51 | 0 | 0 | 0 | 0 | 109.4 | P14 S15 S43 E44 | P14-S39 WeakPolarHBondContact CA-O 3.29Å; S15-S39 PolarHBondContact N-O 3.28Å; S15-S39 PolarHBondContact O-N 3.14Å; S15-S39 WeakPolarHBondContact OG-CB 3.26Å; S39-S43 WeakPolarHBondContact CA-O 3.45Å; S39-E44 WeakPolarHBondContact CB-OE1 3.42Å; S39-E44 WeakPolarHBondContact OG-CG 3.36Å; S39-E44 PolarHBondContact OG-OE1 3.12Å |
| 40 | V | 94.1 | Very high | 95.2 | Very high | 56 Ų | 56 | 79.3 Ų | 79.3 | 34% | 0.339 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 104.6 | 176.3 | -173.1 | 0 | 0 | 0 | 0 | 107.9 | P14 V38 R42 S43 W45 | P14-V40 HydrophobicContact CB-CG2 3.96Å; V38-V40 HydrophobicContact CG1-CG2 4.11Å; V40-R42 PolarHBondContact O-N 3.22Å; V40-R42 VanDerWaalsContact O-N 3.08Å; V40-S43 PolarHBondContact N-O 2.96Å; V40-S43 PolarHBondContact O-N 3Å; V40-W45 HydrophobicContact CB-CH2 3.97Å; V40-W45 HydrophobicContact CB-CZ3 4.3Å; V40-W45 HydrophobicContact CG2-CH2 3.55Å; V40-W45 HydrophobicContact CG2-CZ2 4.25Å; V40-W45 HydrophobicContact CG2-CZ3 4.26Å |
| 41 | G | 89.1 | Confident | 95.5 | Very high | 47 Ų | 47 | 78.7 Ų | 78.7 | 49% | 0.485 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -108.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S12 | S12-G41 WeakPolarHBondContact OG-CA 3.23Š|
| 42 | R | 90.6 | Very high | 95.6 | Very high | 254 Ų | 254 | 79 Ų | 79 | 96% | 0.958 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -0.8 | 178.7 | -61.5 | -177.1 | -176 | 179.1 | 2.1 | 113.5 | V40 | V40-R42 PolarHBondContact O-N 3.22Å; V40-R42 VanDerWaalsContact O-N 3.08Å |
| 43 | S | 93 | Very high | 95.7 | Very high | 73 Ų | 73 | 79.2 Ų | 79.2 | 51% | 0.51 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129 | -176.9 | -63.4 | 0 | 0 | 0 | 0 | 109.6 | S39 V40 | S39-S43 WeakPolarHBondContact CA-O 3.45Å; V40-S43 PolarHBondContact N-O 2.96Å; V40-S43 PolarHBondContact O-N 3Å |
| 44 | E | 96.6 | Very high | 95.7 | Very high | 130 Ų | 130 | 81.9 Ų | 81.9 | 61% | 0.607 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 139.1 | 177.3 | -53.2 | -164.3 | 139.2 | 0 | 0 | 110.1 | L37 V38 S39 | L37-E44 HydrophobicContact CD1-CB 4.22Å; V38-E44 VanDerWaalsContact O-CA 3.3Å; V38-E44 WeakPolarHBondContact O-CA 3.5Å; S39-E44 WeakPolarHBondContact CB-OE1 3.42Å; S39-E44 WeakPolarHBondContact OG-CG 3.36Å; S39-E44 PolarHBondContact OG-OE1 3.12Å |
| 45 | W | 97.8 | Very high | 95.6 | Very high | 121 Ų | 121 | 82 Ų | 82 | 46% | 0.458 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 159.6 | 176.3 | 59.5 | 92.9 | 0 | 0 | 0 | 111.8 | V38 V40 | V38-W45 HydrophobicContact CB-CZ2 4.35Å; V38-W45 HydrophobicContact CG1-CH2 4.38Å; V38-W45 HydrophobicContact CG1-CZ2 3.83Å; V38-W45 PolarHBondContact N-O 3.17Å; V38-W45 PolarHBondContact O-N 3.46Å; V40-W45 HydrophobicContact CB-CH2 3.97Å; V40-W45 HydrophobicContact CB-CZ3 4.3Å; V40-W45 HydrophobicContact CG2-CH2 3.55Å; V40-W45 HydrophobicContact CG2-CZ2 4.25Å; V40-W45 HydrophobicContact CG2-CZ3 4.26Å |
| 46 | F | 97.6 | Very high | 95.6 | Very high | 99 Ų | 99 | 86.9 Ų | 86.9 | 43% | 0.434 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 136.7 | 174.2 | -67.2 | -64.3 | 0 | 0 | 0 | 111.4 | K35 V36 L37 F48 | K35-F46 HydrophobicContact CD-CD1 4.09Å; K35-F46 HydrophobicContact CD-CE1 4.2Å; K35-F46 VanDerWaalsContact CE-CZ 3.45Å; K35-F46 HydrophobicContact CG-CD1 3.63Å; K35-F46 HydrophobicContact CG-CE1 4.13Å; K35-F46 HydrophobicContact CG-CG 4.2Å; V36-F46 CarbonylContact O-C 3.57Å; V36-F46 WeakPolarHBondContact O-CA 3.5Å; L37-F46 HydrophobicContact CB-CD1 4.28Å; L37-F46 HydrophobicContact CB-CE1 3.97Å; L37-F46 HydrophobicContact CD1-CD1 4.17Å; L37-F46 HydrophobicContact CD1-CE1 3.76Å; L37-F46 HydrophobicContact CD1-CZ 4.17Å; L37-F46 HydrophobicContact CG-CE1 4.37Å; F46-F48 HydrophobicContact CB-CE2 4.09Å; F46-F48 HydrophobicContact CB-CZ 4.24Å |
| 47 | V | 97 | Very high | 95.5 | Very high | 38 Ų | 38 | 91.4 Ų | 91.4 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.8 | 168.2 | -170.2 | 0 | 0 | 0 | 0 | 108.2 | V36 V38 R49 | V36-V47 HydrophobicContact CB-CB 4.38Å; V36-V47 WeakPolarHBondContact CB-O 3.47Å; V36-V47 PolarHBondContact N-O 2.83Å; V36-V47 PolarHBondContact O-N 3.18Å; V38-V47 HydrophobicContact CG2-CG2 4.1Å; V47-R49 HydrophobicContact CG1-CG 3.9Å |
| 48 | F | 96.1 | Very high | 95.4 | Very high | 117 Ų | 117 | 96.4 Ų | 96.4 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.4 | 178.6 | -63.4 | -84.5 | 0 | 0 | 0 | 109.1 | V33 Y34 K35 F46 | V33-F48 HydrophobicContact CG1-CB 3.72Å; V33-F48 HydrophobicContact CG1-CD1 4.05Å; V33-F48 HydrophobicContact CG1-CG 4.38Å; Y34-F48 WeakPolarHBondContact O-CA 3.44Å; K35-F48 HydrophobicContact CB-CD1 4.48Å; K35-F48 HydrophobicContact CB-CE1 4.23Å; K35-F48 HydrophobicContact CD-CE1 4.31Å; K35-F48 HydrophobicContact CG-CE1 3.95Å; K35-F48 HydrophobicContact CG-CZ 4.44Å; F46-F48 HydrophobicContact CB-CE2 4.09Å; F46-F48 HydrophobicContact CB-CZ 4.24Å |
| 49 | R | 97 | Very high | 95.3 | Very high | 113 Ų | 113 | 98 Ų | 98 | 43% | 0.426 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147 | -177.3 | -65.4 | -64.1 | -179 | -178.2 | -1.8 | 111.9 | Y34 V47 E53 F54 | Y34-R49 PolarHBondContact N-O 3.01Å; Y34-R49 PolarHBondContact O-N 3.04Å; Y34-R49 VanDerWaalsContact O-N 3.14Å; V47-R49 HydrophobicContact CG1-CG 3.9Å; R49-E53 WeakPolarHBondContact CA-OE2 3.3Å; R49-E53 VanDerWaalsContact CD-OE1 3.23Å; R49-E53 WeakPolarHBondContact CD-OE1 3.43Å; R49-E53 IonicContact CZ-OE1 3.66Å; R49-E53 IonicContact NE-OE1 3.86Å; R49-E53 IonicContact NH1-OE1 2.71Å; R49-E53 PolarHBondContact NH1-OE1 2.9Å; R49-F54 HydrophobicContact CB-CD2 4.43Å; R49-F54 HydrophobicContact CB-CE2 3.7Å; R49-F54 HydrophobicContact CB-CZ 3.76Å; R49-F54 HydrophobicContact CG-CZ 4.33Å |
| 50 | R | 96.3 | Very high | 95.3 | Very high | 106 Ų | 106 | 101 Ų | 101 | 40% | 0.4 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 160.5 | 169.1 | -62.7 | 179.7 | -61.3 | 163.9 | 3.5 | 110.7 | F31 V33 A52 E53 F54 | F31-R50 HydrophobicContact CD2-CG 4.17Å; V33-R50 HydrophobicContact CG2-CG 4.27Å; R50-A52 VanDerWaalsContact C-N 3.28Å; R50-A52 PolarHBondContact O-N 2.82Å; R50-E53 PolarHBondContact N-OE2 2.71Å; R50-E53 WeakPolarHBondContact O-CB 3.46Å; R50-E53 PolarHBondContact O-N 2.82Å; R50-F54 WeakPolarHBondContact O-CD2 3.18Å |
| 51 | Y | 95.2 | Very high | 95.3 | Very high | 158 Ų | 158 | 101.7 Ų | 101.7 | 62% | 0.62 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -52.1 | -43.5 | 177.3 | -176.2 | -97.3 | 0 | 0 | 0 | 113.5 | E53 F54 D55 | Y51-E53 PolarHBondContact O-N 3.13Å; Y51-E53 VanDerWaalsContact O-N 3.13Å; Y51-F54 WeakPolarHBondContact O-CB 3.24Å; Y51-F54 PolarHBondContact O-N 2.89Å; Y51-D55 HydrophobicContact CE1-CB 4.28Å; Y51-D55 PolarHBondContact O-N 2.87Å |
| 52 | A | 95.9 | Very high | 95.5 | Very high | 60 Ų | 60 | 105.7 Ų | 105.7 | 50% | 0.496 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -25 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R50 K56 | R50-A52 VanDerWaalsContact C-N 3.28Å; R50-A52 PolarHBondContact O-N 2.82Å; A52-K56 WeakPolarHBondContact O-CB 3.45Å; A52-K56 PolarHBondContact O-N 2.8Å; A52-K56 VanDerWaalsContact O-N 3.12Å |
| 53 | E | 96 | Very high | 95.6 | Very high | 65 Ų | 65 | 98.1 Ų | 98.1 | 30% | 0.304 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -75 | -36.9 | 175.7 | -62.1 | 178 | 86.7 | 0 | 0 | 111.3 | R49 R50 Y51 L57 | R49-E53 WeakPolarHBondContact CA-OE2 3.3Å; R49-E53 VanDerWaalsContact CD-OE1 3.23Å; R49-E53 WeakPolarHBondContact CD-OE1 3.43Å; R49-E53 IonicContact CZ-OE1 3.66Å; R49-E53 IonicContact NE-OE1 3.86Å; R49-E53 IonicContact NH1-OE1 2.71Å; R49-E53 PolarHBondContact NH1-OE1 2.9Å; R50-E53 PolarHBondContact N-OE2 2.71Å; R50-E53 WeakPolarHBondContact O-CB 3.46Å; R50-E53 PolarHBondContact O-N 2.82Å; Y51-E53 PolarHBondContact O-N 3.13Å; Y51-E53 VanDerWaalsContact O-N 3.13Å; E53-L57 PolarHBondContact O-N 2.81Å |
| 54 | F | 96 | Very high | 95.5 | Very high | 69 Ų | 69 | 102.6 Ų | 102.6 | 30% | 0.303 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 172.2 | -65.3 | -69 | 0 | 0 | 0 | 111.9 | Y34 V36 R49 R50 Y51 K56 L57 Y58 | Y34-F54 HydrophobicContact CD2-CE2 4.03Å; Y34-F54 HydrophobicContact CG-CE2 4.37Å; V36-F54 HydrophobicContact CG2-CZ 3.77Å; R49-F54 HydrophobicContact CB-CD2 4.43Å; R49-F54 HydrophobicContact CB-CE2 3.7Å; R49-F54 HydrophobicContact CB-CZ 3.76Å; R49-F54 HydrophobicContact CG-CZ 4.33Å; R50-F54 WeakPolarHBondContact O-CD2 3.18Å; Y51-F54 WeakPolarHBondContact O-CB 3.24Å; Y51-F54 PolarHBondContact O-N 2.89Å; F54-K56 VanDerWaalsContact C-N 3.34Å; F54-K56 PolarHBondContact O-N 3.14Å; F54-L57 WeakPolarHBondContact O-CB 3.37Å; F54-L57 PolarHBondContact O-N 2.88Å; F54-Y58 WeakPolarHBondContact O-CB 3.25Å; F54-Y58 PolarHBondContact O-N 3.38Å |
| 55 | D | 95.8 | Very high | 95.2 | Very high | 71 Ų | 71 | 101.6 Ų | 101.6 | 38% | 0.38 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 176.8 | -179.7 | 53.5 | 0 | 0 | 0 | 111.6 | Y51 L57 Y58 N59 | Y51-D55 HydrophobicContact CE1-CB 4.28Å; Y51-D55 PolarHBondContact O-N 2.87Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.35Å; D55-Y58 PolarHBondContact O-N 2.56Å; D55-N59 PolarHBondContact O-N 2.9Å; D55-N59 PolarHBondContact O-ND2 3.02Å; D55-N59 PolarHBondContact OD1-ND2 2.87Å; D55-N59 VanDerWaalsContact OD1-ND2 3.1Å |
| 56 | K | 96.3 | Very high | 94.7 | Very high | 164 Ų | 164 | 101.1 Ų | 101.1 | 71% | 0.713 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | 173.9 | -173.8 | 178.9 | 179.4 | -177.9 | 0 | 112.2 | A52 F54 S60 | A52-K56 WeakPolarHBondContact O-CB 3.45Å; A52-K56 PolarHBondContact O-N 2.8Å; A52-K56 VanDerWaalsContact O-N 3.12Å; F54-K56 VanDerWaalsContact C-N 3.34Å; F54-K56 PolarHBondContact O-N 3.14Å; K56-S60 PolarHBondContact O-N 2.96Å; K56-S60 VanDerWaalsContact O-N 3.14Å |
| 57 | L | 95.8 | Very high | 93.9 | Very high | 105 Ų | 105 | 101.4 Ų | 101.4 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 176.9 | 177.9 | 64.1 | 0 | 0 | 0 | 111.2 | E53 F54 D55 N59 S60 V61 | E53-L57 PolarHBondContact O-N 2.81Å; F54-L57 WeakPolarHBondContact O-CB 3.37Å; F54-L57 PolarHBondContact O-N 2.88Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.35Å; L57-N59 PolarHBondContact O-N 2.86Å; L57-S60 PolarHBondContact O-N 3.11Å; L57-V61 HydrophobicContact CD1-CG2 4.03Å; L57-V61 HydrophobicContact CG-CG2 4.38Å; L57-V61 WeakPolarHBondContact O-CG2 3.32Å; L57-V61 PolarHBondContact O-N 2.88Å |
| 58 | Y | 94.7 | Very high | 92.3 | Very high | 144 Ų | 144 | 107.1 Ų | 107.1 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58 | -49.7 | 179.3 | 173.3 | -97.4 | 0 | 0 | 0 | 111.5 | F54 D55 S60 V61 R62 | F54-Y58 WeakPolarHBondContact O-CB 3.25Å; F54-Y58 PolarHBondContact O-N 3.38Å; D55-Y58 PolarHBondContact O-N 2.56Å; Y58-S60 VanDerWaalsContact C-N 3.34Å; Y58-S60 PolarHBondContact O-N 2.92Å; Y58-V61 PolarHBondContact O-N 2.74Å; Y58-R62 WeakPolarHBondContact O-CB 3.2Å; Y58-R62 PolarHBondContact O-N 3.33Å |
| 59 | N | 95.6 | Very high | 92.1 | Very high | 55 Ų | 55 | 106.6 Ų | 106.6 | 29% | 0.294 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 179.3 | -70.9 | -55.9 | 0 | 0 | 0 | 111.3 | D55 L57 V61 R62 D63 | D55-N59 PolarHBondContact O-N 2.9Å; D55-N59 PolarHBondContact O-ND2 3.02Å; D55-N59 PolarHBondContact OD1-ND2 2.87Å; D55-N59 VanDerWaalsContact OD1-ND2 3.1Å; L57-N59 PolarHBondContact O-N 2.86Å; N59-V61 PolarHBondContact O-N 3.01Å; N59-R62 PolarHBondContact O-N 3.42Å; N59-D63 WeakPolarHBondContact O-CB 3.43Å; N59-D63 PolarHBondContact O-N 2.72Å |
| 60 | S | 95.1 | Very high | 91.9 | Very high | 77 Ų | 77 | 106.3 Ų | 106.3 | 54% | 0.538 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 176.2 | -175.8 | 0 | 0 | 0 | 0 | 113.5 | K56 L57 Y58 Y64 | K56-S60 PolarHBondContact O-N 2.96Å; K56-S60 VanDerWaalsContact O-N 3.14Å; L57-S60 PolarHBondContact O-N 3.11Å; Y58-S60 VanDerWaalsContact C-N 3.34Å; Y58-S60 PolarHBondContact O-N 2.92Å; S60-Y64 PolarHBondContact O-N 3.03Å; S60-Y64 VanDerWaalsContact O-N 3.17Å |
| 61 | V | 93.6 | Very high | 91.6 | Very high | 69 Ų | 69 | 106.3 Ų | 106.3 | 42% | 0.418 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.2 | -41.4 | 179.3 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | L57 Y58 N59 Y64 I65 | L57-V61 HydrophobicContact CD1-CG2 4.03Å; L57-V61 HydrophobicContact CG-CG2 4.38Å; L57-V61 WeakPolarHBondContact O-CG2 3.32Å; L57-V61 PolarHBondContact O-N 2.88Å; Y58-V61 PolarHBondContact O-N 2.74Å; N59-V61 PolarHBondContact O-N 3.01Å; V61-Y64 PolarHBondContact O-N 3.27Å; V61-I65 HydrophobicContact CG1-CD1 3.74Å; V61-I65 HydrophobicContact CG1-CG1 4.41Å; V61-I65 WeakPolarHBondContact O-CG1 3.36Å; V61-I65 PolarHBondContact O-N 3.06Å |
| 62 | R | 94 | Very high | 91.4 | Very high | 131 Ų | 131 | 103.2 Ų | 103.2 | 49% | 0.494 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.4 | -48.9 | 175.2 | 178.5 | -174.8 | 176.3 | -154 | -2.7 | 110.8 | Y58 N59 Y64 I65 V66 | Y58-R62 WeakPolarHBondContact O-CB 3.2Å; Y58-R62 PolarHBondContact O-N 3.33Å; N59-R62 PolarHBondContact O-N 3.42Å; R62-Y64 VanDerWaalsContact C-N 3.3Å; R62-Y64 PolarHBondContact O-N 2.91Å; R62-I65 PolarHBondContact O-N 2.83Å; R62-V66 HydrophobicContact CG-CG2 4.27Å; R62-V66 WeakPolarHBondContact O-CB 3.44Å; R62-V66 VanDerWaalsContact O-CG2 3.26Å; R62-V66 WeakPolarHBondContact O-CG2 3.34Å; R62-V66 PolarHBondContact O-N 2.85Å |
| 63 | D | 92.2 | Very high | 91.1 | Very high | 95 Ų | 95 | 105.9 Ų | 105.9 | 51% | 0.508 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | -179.4 | -68.3 | -15.2 | 0 | 0 | 0 | 111.1 | N59 S67 | N59-D63 WeakPolarHBondContact O-CB 3.43Å; N59-D63 PolarHBondContact O-N 2.72Å; D63-S67 VanDerWaalsContact O-CB 3.29Å; D63-S67 WeakPolarHBondContact O-CB 3.34Å; D63-S67 PolarHBondContact O-N 2.63Å; D63-S67 PolarHBondContact O-OG 3.03Å |
| 64 | Y | 91.5 | Very high | 90.8 | Very high | 168 Ų | 168 | 108.7 Ų | 108.7 | 66% | 0.659 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.6 | -49.7 | 174.6 | 178 | -96 | 0 | 0 | 0 | 112 | S60 V61 R62 S67 V68 | S60-Y64 PolarHBondContact O-N 3.03Å; S60-Y64 VanDerWaalsContact O-N 3.17Å; V61-Y64 PolarHBondContact O-N 3.27Å; R62-Y64 VanDerWaalsContact C-N 3.3Å; R62-Y64 PolarHBondContact O-N 2.91Å; Y64-S67 PolarHBondContact O-N 3.08Å; Y64-V68 HydrophobicContact CE1-CG2 4.46Å; Y64-V68 WeakPolarHBondContact O-CG2 3.3Å; Y64-V68 PolarHBondContact O-N 2.91Å |
| 65 | I | 90.6 | Very high | 90.4 | Very high | 109 Ų | 109 | 111.5 Ų | 111.5 | 56% | 0.559 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.3 | -40.1 | -178.1 | -67.7 | 170.1 | 0 | 0 | 0 | 111.5 | V61 R62 S67 V68 | V61-I65 HydrophobicContact CG1-CD1 3.74Å; V61-I65 HydrophobicContact CG1-CG1 4.41Å; V61-I65 WeakPolarHBondContact O-CG1 3.36Å; V61-I65 PolarHBondContact O-N 3.06Å; R62-I65 PolarHBondContact O-N 2.83Å; I65-S67 VanDerWaalsContact C-N 3.26Å; I65-S67 PolarHBondContact O-N 3.04Å; I65-V68 PolarHBondContact O-N 2.89Å |
| 66 | V | 87.3 | Confident | 90 | Very high | 111 Ų | 111 | 114.6 Ų | 114.6 | 67% | 0.673 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.5 | -22.8 | 179.9 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | R62 | R62-V66 HydrophobicContact CG-CG2 4.27Å; R62-V66 WeakPolarHBondContact O-CB 3.44Å; R62-V66 VanDerWaalsContact O-CG2 3.26Å; R62-V66 WeakPolarHBondContact O-CG2 3.34Å; R62-V66 PolarHBondContact O-N 2.85Å |
| 67 | S | 79.3 | Confident | 89.5 | Confident | 104 Ų | 104 | 110.5 Ų | 110.5 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -6.7 | 178.4 | -56.9 | 0 | 0 | 0 | 0 | 114.1 | D63 Y64 I65 | D63-S67 VanDerWaalsContact O-CB 3.29Å; D63-S67 WeakPolarHBondContact O-CB 3.34Å; D63-S67 PolarHBondContact O-N 2.63Å; D63-S67 PolarHBondContact O-OG 3.03Å; Y64-S67 PolarHBondContact O-N 3.08Å; I65-S67 VanDerWaalsContact C-N 3.26Å; I65-S67 PolarHBondContact O-N 3.04Å |
| 68 | V | 64.1 | Low | 88.9 | Confident | 158 Ų | 158 | 111 Ų | 111 | 96% | 0.958 | 58% | 0.581 | S | S | * | * | trans | -98.4 | 0 | 177.9 | 173.5 | 0 | 0 | 0 | 0 | 109.7 | Y64 I65 | Y64-V68 HydrophobicContact CE1-CG2 4.46Å; Y64-V68 WeakPolarHBondContact O-CG2 3.3Å; Y64-V68 PolarHBondContact O-N 2.91Å; I65-V68 PolarHBondContact O-N 2.89Å |
Retrieved 68 of 68 residues in 17.6 ms
(Link to these results)