| 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 | 29.7 | Very low | 33.7 | Very low | 241 Ų | 241 | 113.2 Ų | 113.2 | 100% | 1.187 | 57% | 0.57 | S | S | * | * | 0 | 103.4 | 0 | -142.2 | -174.8 | -68.4 | 0 | 0 | 105.1 | |||||
| 2 | E | 24.5 | Very low | 34.2 | Very low | 169 Ų | 169 | 121.7 Ų | 121.7 | 79% | 0.79 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 128.5 | -175.8 | -67 | -124.2 | 148.9 | 0 | 0 | 109.8 | T4 | E2-T4 PolarHBondContact O-N 3.3Š|
| 3 | P | 27.9 | Very low | 34.2 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 66% | 0.662 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 120.8 | 175 | 27.2 | -30.2 | 0 | 0 | 0 | 109.5 | ||
| 4 | T | 24.5 | Very low | 34.3 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 62% | 0.62 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 121.6 | 168 | -57 | 0 | 0 | 0 | 0 | 107.4 | E2 K107 | E2-T4 PolarHBondContact O-N 3.3Å; T4-K107 HydrophobicContact CG2-CG 4.34Å |
| 5 | V | 31.6 | Very low | 34.1 | Very low | 28 Ų | 28 | 127.5 Ų | 127.5 | 17% | 0.17 | 63% | 0.629 | C | S | . | * | trans | -111.2 | 123 | 176.8 | -175 | 0 | 0 | 0 | 0 | 108 | D59 L60 | V5-D59 HydrophobicContact CG1-CB 4.11Å; V5-L60 HydrophobicContact CG1-CB 3.64Å; V5-L60 HydrophobicContact CG1-CD1 4.34Å; V5-L60 HydrophobicContact CG1-CD2 4.06Å; V5-L60 HydrophobicContact CG1-CG 4.23Å | ||
| 6 | G | 29.7 | Very low | 34.3 | Very low | 19 Ų | 19 | 129.8 Ų | 129.8 | 20% | 0.196 | 64% | 0.638 | C | S | . | * | trans | -77.3 | 165.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D59 | G6-D59 VanDerWaalsContact C-OD2 3.25Å; G6-D59 VanDerWaalsContact CA-OD2 3.28Å; G6-D59 WeakPolarHBondContact CA-OD2 3.36Å; G6-D59 WeakPolarHBondContact O-CB 3.23Å | ||
| 7 | I | 42.1 | Very low | 34.9 | Very low | 35 Ų | 35 | 124.7 Ų | 124.7 | 18% | 0.179 | 63% | 0.626 | C | S | . | * | trans | -133.5 | 117.4 | 174.9 | -62.2 | -179.7 | 0 | 0 | 0 | 108.1 | L60 M100 V102 L106 C108 | I7-L60 HydrophobicContact CD1-CD2 4.14Å; I7-L60 HydrophobicContact CG1-CB 4.29Å; I7-L60 HydrophobicContact CG1-CD2 4.08Å; I7-M100 HydrophobicContact CD1-CE 3.88Å; I7-V102 HydrophobicContact CD1-CG1 4.06Å; I7-V102 HydrophobicContact CD1-CG2 3.7Å; I7-L106 HydrophobicContact CB-CD2 4.43Å; I7-L106 WeakPolarHBondContact O-CD1 3.23Å; I7-L106 WeakPolarHBondContact O-CD2 3.37Å; I7-C108 WeakPolarHBondContact CD1-SG 3.39Å | ||
| 8 | A | 40.8 | Very low | 35.7 | Very low | 43 Ų | 43 | 120.9 Ų | 120.9 | 36% | 0.355 | 61% | 0.611 | S | S | . | * | trans | -88.2 | 132.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | D57 I58 | A8-D57 WeakPolarHBondContact CB-O 3.41Å; A8-I58 HydrophobicContact CB-CB 3.93Å; A8-I58 HydrophobicContact CB-CG2 3.56Å | ||
| 9 | K | 41.9 | Very low | 35.8 | Very low | 182 Ų | 182 | 121.9 Ų | 121.9 | 79% | 0.791 | 61% | 0.61 | S | S | * | * | trans | -100.8 | 111.8 | -177.5 | -179.8 | -177.9 | 179.8 | 179.7 | 0 | 109.8 | ||||
| 10 | Q | 44 | Very low | 36.7 | Very low | 104 Ų | 104 | 118.2 Ų | 118.2 | 49% | 0.486 | 60% | 0.596 | S | S | . | * | trans | -107.7 | 128 | 171.5 | -163.2 | 136.5 | -4.8 | 0 | 0 | 111.5 | M56 | Q10-M56 VanDerWaalsContact CD-CE 3.48Å; Q10-M56 HydrophobicContact CG-CE 4.19Å | ||
| 11 | R | 33.5 | Very low | 37.7 | Very low | 221 Ų | 221 | 116.6 Ų | 116.6 | 83% | 0.834 | 60% | 0.597 | S | S | * | * | trans | -102 | 119.3 | 168.2 | -90.7 | -175 | 172.1 | -139.9 | 0.2 | 108.9 | ||||
| 12 | R | 40 | Very low | 39.1 | Very low | 215 Ų | 215 | 109.9 Ų | 109.9 | 81% | 0.811 | 56% | 0.564 | S | S | * | * | trans | -147.1 | 153 | 159.9 | -79.3 | -165.6 | 174 | 162.2 | -2.1 | 110.9 | ||||
| 13 | E | 33.8 | Very low | 40.9 | Very low | 199 Ų | 199 | 103.2 Ų | 103.2 | 93% | 0.93 | 54% | 0.535 | S | S | * | . | trans | -64.9 | 154.2 | -175.1 | -72.4 | 168.5 | 149.7 | 0 | 0 | 113.7 | ||||
| 14 | V | 36.8 | Very low | 43.1 | Very low | 98 Ų | 98 | 99 Ų | 99 | 59% | 0.594 | 51% | 0.508 | S | S | * | . | trans | -121.9 | 108.1 | -156.4 | 175.1 | 0 | 0 | 0 | 0 | 109.8 | V18 | V14-V18 HydrophobicContact CB-CG2 4.41Å; V14-V18 HydrophobicContact CG1-CB 3.95Å; V14-V18 HydrophobicContact CG1-CG1 3.62Å; V14-V18 HydrophobicContact CG1-CG2 3.21Å | ||
| 15 | N | 30.6 | Very low | 45.8 | Very low | 155 Ų | 155 | 94.6 Ų | 94.6 | 83% | 0.829 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -149.1 | 141.5 | 172 | -85.8 | -32.2 | 0 | 0 | 0 | 111.9 | G17 | N15-G17 PolarHBondContact O-N 3.19Š|
| 16 | E | 37.3 | Very low | 48.4 | Very low | 165 Ų | 165 | 94.1 Ų | 94.1 | 77% | 0.771 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 52.2 | -49.7 | -174.4 | -75.9 | -94.1 | 130 | 0 | 0 | 116.9 | V18 K19 | E16-V18 PolarHBondContact O-N 3.04Å; E16-K19 PolarHBondContact O-N 3.33Å |
| 17 | G | 44.7 | Very low | 51.2 | Low | 43 Ų | 43 | 95.1 Ų | 95.1 | 44% | 0.443 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -8.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N15 S20 S21 | N15-G17 PolarHBondContact O-N 3.19Å; G17-S20 PolarHBondContact O-OG 3.32Å; G17-S21 WeakPolarHBondContact O-CB 3.28Å; G17-S21 PolarHBondContact O-N 3.16Å |
| 18 | V | 49.6 | Very low | 53.2 | Low | 57 Ų | 57 | 97.7 Ų | 97.7 | 35% | 0.345 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 175.2 | -153 | 0 | 0 | 0 | 0 | 111 | V14 E16 S20 S21 I22 | V14-V18 HydrophobicContact CB-CG2 4.41Å; V14-V18 HydrophobicContact CG1-CB 3.95Å; V14-V18 HydrophobicContact CG1-CG1 3.62Å; V14-V18 HydrophobicContact CG1-CG2 3.21Å; E16-V18 PolarHBondContact O-N 3.04Å; V18-S20 PolarHBondContact O-N 3.26Å; V18-S21 WeakPolarHBondContact O-CB 3.33Å; V18-S21 PolarHBondContact O-N 3.5Å; V18-I22 HydrophobicContact CG1-CG2 4.42Å; V18-I22 WeakPolarHBondContact O-CG1 3.42Å; V18-I22 WeakPolarHBondContact O-CG2 3.48Å; V18-I22 PolarHBondContact O-N 3.44Å |
| 19 | K | 37.1 | Very low | 55.4 | Low | 139 Ų | 139 | 101.7 Ų | 101.7 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.2 | -40.4 | -174.4 | -73.5 | 180 | -176.9 | 169.4 | 0 | 111.6 | E16 I22 T23 | E16-K19 PolarHBondContact O-N 3.33Å; K19-I22 WeakPolarHBondContact O-CG1 3.4Å; K19-T23 PolarHBondContact O-OG1 3.39Å |
| 20 | S | 53.8 | Low | 57.6 | Low | 47 Ų | 47 | 94.1 Ų | 94.1 | 33% | 0.329 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.6 | -41 | 174.3 | 55.6 | 0 | 0 | 0 | 0 | 111.2 | G17 V18 I22 S24 S41 | G17-S20 PolarHBondContact O-OG 3.32Å; V18-S20 PolarHBondContact O-N 3.26Å; S20-I22 PolarHBondContact O-N 2.94Å; S20-S24 WeakPolarHBondContact O-CB 3.42Å; S20-S24 PolarHBondContact O-N 3.36Å; S20-S24 VanDerWaalsContact O-N 3.09Å; S20-S24 PolarHBondContact O-OG 3.17Å; S20-S41 VanDerWaalsContact CA-OG 3.23Å; S20-S41 WeakPolarHBondContact CA-OG 3.38Å; S20-S41 PolarHBondContact O-OG 2.87Å |
| 21 | S | 57.8 | Low | 59.8 | Low | 86 Ų | 86 | 99.5 Ų | 99.5 | 60% | 0.601 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -42.4 | 177.4 | -174.9 | 0 | 0 | 0 | 0 | 113.1 | G17 V18 T23 | G17-S21 WeakPolarHBondContact O-CB 3.28Å; G17-S21 PolarHBondContact O-N 3.16Å; V18-S21 WeakPolarHBondContact O-CB 3.33Å; V18-S21 PolarHBondContact O-N 3.5Å; S21-T23 PolarHBondContact O-N 3.41Å |
| 22 | I | 60 | Low | 62.4 | Low | 100 Ų | 100 | 90 Ų | 90 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.2 | -28.9 | -174.6 | 56.5 | 164.6 | 0 | 0 | 0 | 115 | V18 K19 S20 | V18-I22 HydrophobicContact CG1-CG2 4.42Å; V18-I22 WeakPolarHBondContact O-CG1 3.42Å; V18-I22 WeakPolarHBondContact O-CG2 3.48Å; V18-I22 PolarHBondContact O-N 3.44Å; K19-I22 WeakPolarHBondContact O-CG1 3.4Å; S20-I22 PolarHBondContact O-N 2.94Å |
| 23 | T | 61.3 | Low | 64.6 | Low | 29 Ų | 29 | 86.7 Ų | 86.7 | 18% | 0.178 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -123 | 0.2 | -168.2 | 49.7 | 0 | 0 | 0 | 0 | 114 | K19 S21 S41 | K19-T23 PolarHBondContact O-OG1 3.39Å; S21-T23 PolarHBondContact O-N 3.41Å; T23-S41 WeakPolarHBondContact OG1-CB 3.41Å |
| 24 | S | 74.2 | Confident | 67 | Low | 13 Ų | 13 | 80.2 Ų | 80.2 | 9% | 0.091 | 44% | 0.442 | C | S | . | . | trans | -68.6 | 150.6 | 174.4 | 55.7 | 0 | 0 | 0 | 0 | 111.1 | S20 S41 Y42 R63 | S20-S24 WeakPolarHBondContact O-CB 3.42Å; S20-S24 PolarHBondContact O-N 3.36Å; S20-S24 VanDerWaalsContact O-N 3.09Å; S20-S24 PolarHBondContact O-OG 3.17Å; S24-S41 WeakPolarHBondContact CA-OG 3.31Å; S24-S41 WeakPolarHBondContact CB-OG 3.4Å; S24-S41 PolarHBondContact N-OG 3.45Å; S24-Y42 WeakPolarHBondContact CA-O 3.23Å; S24-Y42 WeakPolarHBondContact CB-O 3.38Å; S24-R63 PolarHBondContact O-NH1 2.7Å; S24-R63 PolarHBondContact O-NH2 2.91Å; S24-R63 VanDerWaalsContact O-NH2 3.1Å | ||
| 25 | S | 81.9 | Confident | 69.1 | Low | 8 Ų | 8 | 82.1 Ų | 82.1 | 6% | 0.056 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 132.6 | -175 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | Y42 R43 F44 | S25-Y42 PolarHBondContact N-O 2.82Å; S25-R43 WeakPolarHBondContact O-CA 3.44Å; S25-F44 PolarHBondContact O-N 2.85Å; S25-F44 VanDerWaalsContact O-N 3.07Å |
| 26 | P | 85.7 | Confident | 71.1 | Confident | 19 Ų | 19 | 75.1 Ų | 75.1 | 12% | 0.123 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 144.3 | 173.2 | 27.8 | -34.8 | 0 | 0 | 0 | 111.6 | F44 F75 L80 | P26-F44 CarbonylContact C-O 3.54Å; P26-F44 WeakPolarHBondContact CA-O 3.3Å; P26-F44 HydrophobicContact CB-CD2 4.38Å; P26-F44 HydrophobicContact CB-CE2 3.75Å; P26-F44 HydrophobicContact CB-CZ 4.09Å; P26-F44 HydrophobicContact CG-CZ 4.47Å; P26-F75 HydrophobicContact CB-CD1 3.53Å; P26-F75 HydrophobicContact CB-CD2 3.9Å; P26-F75 HydrophobicContact CB-CE1 3.49Å; P26-F75 VanDerWaalsContact CB-CE1 3.49Å; P26-F75 HydrophobicContact CB-CE2 3.86Å; P26-F75 HydrophobicContact CB-CG 3.73Å; P26-F75 HydrophobicContact CB-CZ 3.66Å; P26-F75 HydrophobicContact CG-CG 4.46Å; P26-L80 HydrophobicContact CG-CD2 4.34Å |
| 27 | V | 87.6 | Confident | 72.9 | Confident | 40 Ų | 40 | 73.8 Ų | 73.8 | 24% | 0.242 | 41% | 0.406 | C | S | . | . | trans | -139.9 | 121.7 | 174.8 | -180 | 0 | 0 | 0 | 0 | 109.2 | C29 L30 R43 F44 | V27-C29 PolarHBondContact O-N 2.96Å; V27-L30 HydrophobicContact CB-CB 3.81Å; V27-L30 HydrophobicContact CB-CD1 4.23Å; V27-L30 HydrophobicContact CG1-CB 3.85Å; V27-L30 HydrophobicContact CG1-CD1 4.49Å; V27-L30 PolarHBondContact O-N 3.41Å; V27-R43 HydrophobicContact CG2-CB 3.91Å; V27-R43 HydrophobicContact CG2-CG 4.23Å; V27-F44 PolarHBondContact N-O 3.2Å | ||
| 28 | S | 85.1 | Confident | 74.1 | Confident | 88 Ų | 88 | 79.5 Ų | 79.5 | 62% | 0.615 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -34.6 | -171.4 | 49 | 0 | 0 | 0 | 0 | 114.4 | L30 | S28-L30 VanDerWaalsContact C-N 3.33Š|
| 29 | C | 87.5 | Confident | 75 | Confident | 127 Ų | 127 | 79.7 Ų | 79.7 | 86% | 0.858 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 11.1 | -177 | -49.7 | 0 | 0 | 0 | 0 | 113.6 | V27 | V27-C29 PolarHBondContact O-N 2.96Š|
| 30 | L | 87.2 | Confident | 76.4 | Confident | 23 Ų | 23 | 76.9 Ų | 76.9 | 12% | 0.12 | 42% | 0.422 | C | S | . | . | trans | -105.4 | 147.1 | -176.5 | -171.1 | 150.2 | 0 | 0 | 0 | 109.5 | V27 S28 G32 V34 R43 G45 P46 | V27-L30 HydrophobicContact CB-CB 3.81Å; V27-L30 HydrophobicContact CB-CD1 4.23Å; V27-L30 HydrophobicContact CG1-CB 3.85Å; V27-L30 HydrophobicContact CG1-CD1 4.49Å; V27-L30 PolarHBondContact O-N 3.41Å; S28-L30 VanDerWaalsContact C-N 3.33Å; L30-G32 WeakPolarHBondContact CD2-O 3.15Å; L30-V34 HydrophobicContact CD1-CB 3.7Å; L30-V34 HydrophobicContact CD1-CG2 3.44Å; L30-V34 VanDerWaalsContact CD1-CG2 3.44Å; L30-V34 HydrophobicContact CD2-CG2 4.06Å; L30-V34 HydrophobicContact CG-CG2 3.83Å; L30-R43 HydrophobicContact CD1-CB 4.07Å; L30-G45 VanDerWaalsContact CD2-N 3.27Å; L30-G45 WeakPolarHBondContact O-CA 3.32Å; L30-P46 VanDerWaalsContact O-CD 3.31Å; L30-P46 WeakPolarHBondContact O-CD 3.46Å | ||
| 31 | R | 89.3 | Confident | 77.4 | Confident | 218 Ų | 218 | 75.5 Ų | 75.5 | 82% | 0.823 | 41% | 0.412 | S | S | * | . | trans | -119.2 | 134.6 | 169.5 | -169 | 178.3 | 179.7 | -178.5 | 0.1 | 109.1 | D47 | R31-D47 WeakPolarHBondContact CA-OD1 3.47Å; R31-D47 WeakPolarHBondContact CG-OD2 3.13Å | ||
| 32 | G | 88.7 | Confident | 78.5 | Confident | 20 Ų | 20 | 77 Ų | 77 | 21% | 0.206 | 41% | 0.405 | C | S | . | . | S | Bend | trans | 73.5 | -144.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L30 F44 G45 D47 V48 | L30-G32 WeakPolarHBondContact CD2-O 3.15Å; G32-F44 WeakPolarHBondContact O-CA 3.27Å; G32-G45 PolarHBondContact O-N 3.09Å; G32-D47 VanDerWaalsContact N-CG 3.35Å; G32-D47 PolarHBondContact N-OD1 3.36Å; G32-D47 PolarHBondContact N-OD2 3.47Å; G32-V48 VanDerWaalsContact C-CG2 3.45Å; G32-V48 VanDerWaalsContact O-CG2 3.23Å; G32-V48 WeakPolarHBondContact O-CG2 3.31Å |
| 33 | W | 87.2 | Confident | 79.7 | Confident | 147 Ų | 147 | 76 Ų | 76 | 56% | 0.557 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.1 | -179.8 | -61.7 | 90.2 | 0 | 0 | 0 | 110.9 | Y42 R43 F44 V48 | W33-Y42 HydrophobicContact CB-CD1 4.39Å; W33-Y42 HydrophobicContact CE3-CG 4.31Å; W33-R43 CarbonylContact C-O 3.52Å; W33-R43 WeakPolarHBondContact CA-O 3.38Å; W33-F44 HydrophobicContact CD2-CB 4.21Å; W33-F44 HydrophobicContact CE3-CB 3.73Å; W33-F44 HydrophobicContact CE3-CD1 4.4Å; W33-F44 HydrophobicContact CH2-CB 4.34Å; W33-F44 HydrophobicContact CH2-CD1 4.34Å; W33-F44 HydrophobicContact CZ3-CB 3.81Å; W33-F44 AromaticContact CZ3-CD1 3.76Å; W33-F44 HydrophobicContact CZ3-CD1 3.76Å; W33-F44 HydrophobicContact CZ3-CG 4.12Å; W33-V48 HydrophobicContact CD2-CG1 4.25Å; W33-V48 HydrophobicContact CD2-CG2 4.48Å; W33-V48 VanDerWaalsContact CE2-CG1 3.44Å; W33-V48 HydrophobicContact CG-CG2 4.44Å; W33-V48 HydrophobicContact CH2-CG1 3.86Å; W33-V48 HydrophobicContact CZ2-CG1 3.23Å |
| 34 | V | 84.5 | Confident | 81.1 | Confident | 62 Ų | 62 | 75.4 Ų | 75.4 | 38% | 0.376 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 142.2 | 171.9 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | L30 S36 Y42 R43 | L30-V34 HydrophobicContact CD1-CB 3.7Å; L30-V34 HydrophobicContact CD1-CG2 3.44Å; L30-V34 VanDerWaalsContact CD1-CG2 3.44Å; L30-V34 HydrophobicContact CD2-CG2 4.06Å; L30-V34 HydrophobicContact CG-CG2 3.83Å; V34-S36 PolarHBondContact O-N 3.36Å; V34-Y42 CarbonylContact O-C 3.57Å; V34-Y42 VanDerWaalsContact O-CA 3.28Å; V34-Y42 WeakPolarHBondContact O-CA 3.4Å; V34-R43 PolarHBondContact N-O 2.89Å; V34-R43 PolarHBondContact O-N 3.47Å |
| 35 | Q | 79.4 | Confident | 82 | Confident | 138 Ų | 138 | 74.8 Ų | 74.8 | 65% | 0.645 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 138.5 | 176.9 | -165.9 | 170.9 | -9.1 | 0 | 0 | 111.7 | ||
| 36 | S | 73.8 | Confident | 82.6 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 6% | 0.056 | 40% | 0.396 | C | S | . | . | trans | -70.5 | 141.3 | 177.9 | -176.8 | 0 | 0 | 0 | 0 | 111 | V34 R38 G39 V40 S41 | V34-S36 PolarHBondContact O-N 3.36Å; S36-R38 PolarHBondContact O-N 3.2Å; S36-R38 WeakPolarHBondContact OG-CB 3.25Å; S36-R38 PolarHBondContact OG-N 2.97Å; S36-G39 PolarHBondContact O-N 3.33Å; S36-V40 VanDerWaalsContact CB-O 3.25Å; S36-V40 WeakPolarHBondContact CB-O 3.48Å; S36-S41 WeakPolarHBondContact CB-O 3.2Å; S36-S41 PolarHBondContact N-O 2.96Å | ||
| 37 | N | 74.1 | Confident | 83.1 | Confident | 138 Ų | 138 | 77.8 Ų | 77.8 | 74% | 0.738 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -10 | 170.5 | 64.5 | -16.1 | 0 | 0 | 0 | 112.9 | G39 | N37-G39 PolarHBondContact O-N 2.89Š|
| 38 | R | 69.9 | Low | 83.4 | Confident | 163 Ų | 163 | 76.5 Ų | 76.5 | 62% | 0.615 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -0.4 | 176.4 | -59.5 | 178.8 | 179.9 | -97 | 0.9 | 113.3 | S36 V40 | S36-R38 PolarHBondContact O-N 3.2Å; S36-R38 WeakPolarHBondContact OG-CB 3.25Å; S36-R38 PolarHBondContact OG-N 2.97Å; R38-V40 PolarHBondContact O-N 3.35Å; R38-V40 VanDerWaalsContact O-N 3.17Å |
| 39 | G | 68.7 | Low | 83.8 | Confident | 61 Ų | 61 | 72.4 Ų | 72.4 | 63% | 0.629 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 75.1 | -5.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S36 N37 | S36-G39 PolarHBondContact O-N 3.33Å; N37-G39 PolarHBondContact O-N 2.89Å |
| 40 | V | 67.6 | Low | 84.1 | Confident | 80 Ų | 80 | 71.7 Ų | 71.7 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -136 | 137 | 178 | -170.7 | 0 | 0 | 0 | 0 | 109.1 | S36 R38 | S36-V40 VanDerWaalsContact CB-O 3.25Å; S36-V40 WeakPolarHBondContact CB-O 3.48Å; R38-V40 PolarHBondContact O-N 3.35Å; R38-V40 VanDerWaalsContact O-N 3.17Å |
| 41 | S | 73.3 | Confident | 84.5 | Confident | 17 Ų | 17 | 76.7 Ų | 76.7 | 12% | 0.119 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 68.5 | -168.5 | 178.4 | -166.8 | 0 | 0 | 0 | 0 | 115.5 | S20 T23 S24 S36 | S20-S41 VanDerWaalsContact CA-OG 3.23Å; S20-S41 WeakPolarHBondContact CA-OG 3.38Å; S20-S41 PolarHBondContact O-OG 2.87Å; T23-S41 WeakPolarHBondContact OG1-CB 3.41Å; S24-S41 WeakPolarHBondContact CA-OG 3.31Å; S24-S41 WeakPolarHBondContact CB-OG 3.4Å; S24-S41 PolarHBondContact N-OG 3.45Å; S36-S41 WeakPolarHBondContact CB-O 3.2Å; S36-S41 PolarHBondContact N-O 2.96Å |
| 42 | Y | 81.1 | Confident | 84.6 | Confident | 118 Ų | 118 | 70.9 Ų | 70.9 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 153.4 | -171.4 | -62 | -93.1 | 0 | 0 | 0 | 110.8 | S24 S25 W33 V34 | S24-Y42 WeakPolarHBondContact CA-O 3.23Å; S24-Y42 WeakPolarHBondContact CB-O 3.38Å; S25-Y42 PolarHBondContact N-O 2.82Å; W33-Y42 HydrophobicContact CB-CD1 4.39Å; W33-Y42 HydrophobicContact CE3-CG 4.31Å; V34-Y42 CarbonylContact O-C 3.57Å; V34-Y42 VanDerWaalsContact O-CA 3.28Å; V34-Y42 WeakPolarHBondContact O-CA 3.4Å |
| 43 | R | 85.6 | Confident | 84.8 | Confident | 79 Ų | 79 | 70 Ų | 70 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 147.3 | 163.8 | -63.2 | 179.4 | -64.2 | 156.5 | -0.7 | 108.2 | S25 V27 L30 W33 V34 | S25-R43 WeakPolarHBondContact O-CA 3.44Å; V27-R43 HydrophobicContact CG2-CB 3.91Å; V27-R43 HydrophobicContact CG2-CG 4.23Å; L30-R43 HydrophobicContact CD1-CB 4.07Å; W33-R43 CarbonylContact C-O 3.52Å; W33-R43 WeakPolarHBondContact CA-O 3.38Å; V34-R43 PolarHBondContact N-O 2.89Å; V34-R43 PolarHBondContact O-N 3.47Å |
| 44 | F | 91 | Very high | 85.1 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 7% | 0.07 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148.9 | -176 | 56.8 | -95.5 | 0 | 0 | 0 | 112.4 | S25 P26 V27 G32 W33 V48 V49 L80 | S25-F44 PolarHBondContact O-N 2.85Å; S25-F44 VanDerWaalsContact O-N 3.07Å; P26-F44 CarbonylContact C-O 3.54Å; P26-F44 WeakPolarHBondContact CA-O 3.3Å; P26-F44 HydrophobicContact CB-CD2 4.38Å; P26-F44 HydrophobicContact CB-CE2 3.75Å; P26-F44 HydrophobicContact CB-CZ 4.09Å; P26-F44 HydrophobicContact CG-CZ 4.47Å; V27-F44 PolarHBondContact N-O 3.2Å; G32-F44 WeakPolarHBondContact O-CA 3.27Å; W33-F44 HydrophobicContact CD2-CB 4.21Å; W33-F44 HydrophobicContact CE3-CB 3.73Å; W33-F44 HydrophobicContact CE3-CD1 4.4Å; W33-F44 HydrophobicContact CH2-CB 4.34Å; W33-F44 HydrophobicContact CH2-CD1 4.34Å; W33-F44 HydrophobicContact CZ3-CB 3.81Å; W33-F44 AromaticContact CZ3-CD1 3.76Å; W33-F44 HydrophobicContact CZ3-CD1 3.76Å; W33-F44 HydrophobicContact CZ3-CG 4.12Å; F44-V48 HydrophobicContact CB-CB 3.98Å; F44-V48 HydrophobicContact CB-CG1 3.91Å; F44-V48 HydrophobicContact CB-CG2 4.14Å; F44-V48 HydrophobicContact CG-CG1 4.42Å; F44-V49 HydrophobicContact CD2-CG2 3.76Å; F44-V49 HydrophobicContact CE2-CG2 3.52Å; F44-L80 HydrophobicContact CE2-CD1 3.94Å; F44-L80 HydrophobicContact CZ-CD1 4.04Å |
| 45 | G | 93.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | -82.9 | 173.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L30 G32 D47 V48 | L30-G45 VanDerWaalsContact CD2-N 3.27Å; L30-G45 WeakPolarHBondContact O-CA 3.32Å; G32-G45 PolarHBondContact O-N 3.09Å; G45-D47 WeakPolarHBondContact CA-OD1 3.36Å; G45-D47 PolarHBondContact O-N 3.27Å; G45-V48 PolarHBondContact O-N 2.94Å | ||
| 46 | P | 94.8 | Very high | 86.2 | Confident | 44 Ų | 44 | 69 Ų | 69 | 29% | 0.286 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.7 | -28.1 | 173.7 | 27.6 | -32.7 | 0 | 0 | 0 | 112.7 | L30 V48 V49 E50 F75 A76 | L30-P46 VanDerWaalsContact O-CD 3.31Å; L30-P46 WeakPolarHBondContact O-CD 3.46Å; P46-V48 VanDerWaalsContact C-N 3.34Å; P46-V48 PolarHBondContact O-N 3.35Å; P46-V49 WeakPolarHBondContact O-CB 3.36Å; P46-V49 PolarHBondContact O-N 3.49Å; P46-E50 PolarHBondContact O-N 3.07Å; P46-F75 HydrophobicContact CB-CE1 4.08Å; P46-F75 HydrophobicContact CB-CZ 4.03Å; P46-F75 HydrophobicContact CG-CZ 4.45Å; P46-A76 HydrophobicContact CB-CB 3.67Å |
| 47 | D | 94.6 | Very high | 87.1 | Confident | 47 Ų | 47 | 75.6 Ų | 75.6 | 25% | 0.251 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 176 | 61.9 | -46.2 | 0 | 0 | 0 | 112.4 | R31 G32 G45 V49 E50 E51 | R31-D47 WeakPolarHBondContact CA-OD1 3.47Å; R31-D47 WeakPolarHBondContact CG-OD2 3.13Å; G32-D47 VanDerWaalsContact N-CG 3.35Å; G32-D47 PolarHBondContact N-OD1 3.36Å; G32-D47 PolarHBondContact N-OD2 3.47Å; G45-D47 WeakPolarHBondContact CA-OD1 3.36Å; G45-D47 PolarHBondContact O-N 3.27Å; D47-V49 VanDerWaalsContact C-N 3.31Å; D47-V49 PolarHBondContact O-N 2.83Å; D47-E50 PolarHBondContact O-N 3.04Å; D47-E51 WeakPolarHBondContact O-CB 3.31Å; D47-E51 PolarHBondContact O-N 3.03Å |
| 48 | V | 94 | Very high | 88 | Confident | 12 Ų | 12 | 70 Ų | 70 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 175.6 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | G32 W33 F44 G45 P46 F52 | G32-V48 VanDerWaalsContact C-CG2 3.45Å; G32-V48 VanDerWaalsContact O-CG2 3.23Å; G32-V48 WeakPolarHBondContact O-CG2 3.31Å; W33-V48 HydrophobicContact CD2-CG1 4.25Å; W33-V48 HydrophobicContact CD2-CG2 4.48Å; W33-V48 VanDerWaalsContact CE2-CG1 3.44Å; W33-V48 HydrophobicContact CG-CG2 4.44Å; W33-V48 HydrophobicContact CH2-CG1 3.86Å; W33-V48 HydrophobicContact CZ2-CG1 3.23Å; F44-V48 HydrophobicContact CB-CB 3.98Å; F44-V48 HydrophobicContact CB-CG1 3.91Å; F44-V48 HydrophobicContact CB-CG2 4.14Å; F44-V48 HydrophobicContact CG-CG1 4.42Å; G45-V48 PolarHBondContact O-N 2.94Å; P46-V48 VanDerWaalsContact C-N 3.34Å; P46-V48 PolarHBondContact O-N 3.35Å; V48-F52 VanDerWaalsContact O-CB 3.25Å; V48-F52 WeakPolarHBondContact O-CB 3.36Å; V48-F52 PolarHBondContact O-N 2.9Å |
| 49 | V | 94 | Very high | 89 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 176.9 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | F44 P46 D47 F52 C53 I61 F75 A76 K79 L80 | F44-V49 HydrophobicContact CD2-CG2 3.76Å; F44-V49 HydrophobicContact CE2-CG2 3.52Å; P46-V49 WeakPolarHBondContact O-CB 3.36Å; P46-V49 PolarHBondContact O-N 3.49Å; D47-V49 VanDerWaalsContact C-N 3.31Å; D47-V49 PolarHBondContact O-N 2.83Å; V49-F52 PolarHBondContact O-N 3.05Å; V49-C53 WeakPolarHBondContact O-CB 3.42Å; V49-C53 PolarHBondContact O-N 2.77Å; V49-C53 PolarHBondContact O-SG 2.81Å; V49-C53 VanDerWaalsContact O-SG 3.35Å; V49-I61 HydrophobicContact CG1-CD1 3.97Å; V49-F75 HydrophobicContact CG2-CD1 4Å; V49-F75 HydrophobicContact CG2-CE1 3.9Å; V49-A76 HydrophobicContact CB-CB 3.71Å; V49-A76 HydrophobicContact CG1-CB 3.69Å; V49-A76 HydrophobicContact CG2-CB 4.24Å; V49-K79 HydrophobicContact CG1-CB 3.81Å; V49-L80 HydrophobicContact CG1-CB 3.96Å; V49-L80 HydrophobicContact CG2-CB 4.48Å; V49-L80 HydrophobicContact CG2-CD1 4.01Å |
| 50 | E | 95.1 | Very high | 90.1 | Very high | 112 Ų | 112 | 63.9 Ų | 63.9 | 52% | 0.523 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.4 | -49.7 | 177.6 | -174.6 | 172.3 | -156.3 | 0 | 0 | 111.6 | P46 D47 F52 C53 T54 K79 | P46-E50 PolarHBondContact O-N 3.07Å; D47-E50 PolarHBondContact O-N 3.04Å; E50-F52 VanDerWaalsContact C-N 3.32Å; E50-F52 PolarHBondContact O-N 3.24Å; E50-C53 PolarHBondContact O-N 3.35Å; E50-T54 PolarHBondContact O-N 3.39Å; E50-T54 PolarHBondContact O-OG1 2.83Å; E50-K79 HydrophobicContact CB-CD 4.5Å |
| 51 | E | 93.7 | Very high | 91.4 | Very high | 129 Ų | 129 | 61.9 Ų | 61.9 | 60% | 0.603 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58 | -44.5 | 176.3 | -173.5 | -170.5 | 159.5 | 0 | 0 | 111.4 | D47 T54 K55 | D47-E51 WeakPolarHBondContact O-CB 3.31Å; D47-E51 PolarHBondContact O-N 3.03Å; E51-T54 PolarHBondContact O-N 3.03Å; E51-K55 WeakPolarHBondContact O-CB 3.36Å; E51-K55 PolarHBondContact O-N 2.86Å |
| 52 | F | 93 | Very high | 92.4 | Very high | 95 Ų | 95 | 63.9 Ų | 63.9 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 178.5 | -177.3 | -93 | 0 | 0 | 0 | 111.8 | V48 V49 E50 T54 K55 M56 I58 I61 | V48-F52 VanDerWaalsContact O-CB 3.25Å; V48-F52 WeakPolarHBondContact O-CB 3.36Å; V48-F52 PolarHBondContact O-N 2.9Å; V49-F52 PolarHBondContact O-N 3.05Å; E50-F52 VanDerWaalsContact C-N 3.32Å; E50-F52 PolarHBondContact O-N 3.24Å; F52-T54 PolarHBondContact O-N 3.21Å; F52-K55 PolarHBondContact O-N 3.22Å; F52-M56 HydrophobicContact CD1-CG 4.23Å; F52-M56 HydrophobicContact CD2-CG 4.09Å; F52-M56 HydrophobicContact CE1-CB 4.47Å; F52-M56 HydrophobicContact CE1-CG 3.94Å; F52-M56 HydrophobicContact CE2-CG 3.77Å; F52-M56 HydrophobicContact CE2-SD 4.47Å; F52-M56 HydrophobicContact CG-CG 4.32Å; F52-M56 HydrophobicContact CZ-CG 3.7Å; F52-M56 VanDerWaalsContact O-CB 3.31Å; F52-M56 WeakPolarHBondContact O-CB 3.22Å; F52-M56 VanDerWaalsContact O-CG 3.3Å; F52-M56 WeakPolarHBondContact O-CG 3.46Å; F52-M56 PolarHBondContact O-N 2.82Å; F52-I58 HydrophobicContact CD1-CD1 4.07Å; F52-I58 HydrophobicContact CE1-CD1 3.71Å; F52-I61 HydrophobicContact CD1-CD1 3.55Å; F52-I61 HydrophobicContact CD1-CG1 4.11Å; F52-I61 HydrophobicContact CE1-CD1 4.05Å; F52-I61 HydrophobicContact CE1-CG1 4.29Å; F52-I61 HydrophobicContact CG-CD1 4.39Å |
| 53 | C | 92.5 | Very high | 93 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 177.6 | -75.5 | 0 | 0 | 0 | 0 | 111.5 | V49 E50 D57 I58 K79 | V49-C53 WeakPolarHBondContact O-CB 3.42Å; V49-C53 PolarHBondContact O-N 2.77Å; V49-C53 PolarHBondContact O-SG 2.81Å; V49-C53 VanDerWaalsContact O-SG 3.35Å; E50-C53 PolarHBondContact O-N 3.35Å; C53-D57 PolarHBondContact O-N 2.92Å; C53-I58 HydrophobicContact CB-CG1 4.27Å; C53-I58 VanDerWaalsContact CB-O 3.27Å; C53-I58 WeakPolarHBondContact CB-O 2.98Å; C53-I58 PolarHBondContact O-N 2.82Å; C53-K79 HydrophobicContact CB-CD 4.35Å |
| 54 | T | 93.9 | Very high | 93.3 | Very high | 106 Ų | 106 | 58.9 Ų | 58.9 | 65% | 0.65 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.4 | -46 | 176 | -62.4 | 0 | 0 | 0 | 0 | 112 | E50 E51 F52 M56 D57 | E50-T54 PolarHBondContact O-N 3.39Å; E50-T54 PolarHBondContact O-OG1 2.83Å; E51-T54 PolarHBondContact O-N 3.03Å; F52-T54 PolarHBondContact O-N 3.21Å; T54-M56 VanDerWaalsContact C-N 3.33Å; T54-M56 PolarHBondContact O-N 2.86Å; T54-D57 PolarHBondContact O-N 2.83Å |
| 55 | K | 93.6 | Very high | 93.1 | Very high | 163 Ų | 163 | 62.3 Ų | 62.3 | 71% | 0.709 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.7 | -36.2 | -177.9 | 179.8 | 176.6 | -179.7 | 175 | 0 | 112.8 | E51 F52 | E51-K55 WeakPolarHBondContact O-CB 3.36Å; E51-K55 PolarHBondContact O-N 2.86Å; F52-K55 PolarHBondContact O-N 3.22Å |
| 56 | M | 92.3 | Very high | 92.7 | Very high | 55 Ų | 55 | 64.8 Ų | 64.8 | 27% | 0.271 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -93.1 | -2.5 | -176.8 | -62.5 | -60.6 | -63 | 0 | 0 | 113.2 | Q10 F52 T54 I58 | Q10-M56 VanDerWaalsContact CD-CE 3.48Å; Q10-M56 HydrophobicContact CG-CE 4.19Å; F52-M56 HydrophobicContact CD1-CG 4.23Å; F52-M56 HydrophobicContact CD2-CG 4.09Å; F52-M56 HydrophobicContact CE1-CB 4.47Å; F52-M56 HydrophobicContact CE1-CG 3.94Å; F52-M56 HydrophobicContact CE2-CG 3.77Å; F52-M56 HydrophobicContact CE2-SD 4.47Å; F52-M56 HydrophobicContact CG-CG 4.32Å; F52-M56 HydrophobicContact CZ-CG 3.7Å; F52-M56 VanDerWaalsContact O-CB 3.31Å; F52-M56 WeakPolarHBondContact O-CB 3.22Å; F52-M56 VanDerWaalsContact O-CG 3.3Å; F52-M56 WeakPolarHBondContact O-CG 3.46Å; F52-M56 PolarHBondContact O-N 2.82Å; T54-M56 VanDerWaalsContact C-N 3.33Å; T54-M56 PolarHBondContact O-N 2.86Å; M56-I58 VanDerWaalsContact C-N 3.35Å; M56-I58 HydrophobicContact CB-CD1 4.44Å; M56-I58 HydrophobicContact CB-CG1 4.27Å; M56-I58 HydrophobicContact CB-CG2 3.99Å; M56-I58 WeakPolarHBondContact O-CG2 3.32Å; M56-I58 PolarHBondContact O-N 3.42Å |
| 57 | D | 93.2 | Very high | 92.5 | Very high | 147 Ų | 147 | 64.8 Ų | 64.8 | 79% | 0.786 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 50.6 | -175.1 | -163.1 | 34.6 | 0 | 0 | 0 | 112.1 | A8 C53 T54 | A8-D57 WeakPolarHBondContact CB-O 3.41Å; C53-D57 PolarHBondContact O-N 2.92Å; T54-D57 PolarHBondContact O-N 2.83Å |
| 58 | I | 92.6 | Very high | 92.3 | Very high | 22 Ų | 22 | 63 Ų | 63 | 11% | 0.113 | 33% | 0.33 | C | S | . | . | trans | -126.7 | 149.5 | 179.1 | 73.3 | 174.1 | 0 | 0 | 0 | 111.2 | A8 F52 C53 M56 I61 | A8-I58 HydrophobicContact CB-CB 3.93Å; A8-I58 HydrophobicContact CB-CG2 3.56Å; F52-I58 HydrophobicContact CD1-CD1 4.07Å; F52-I58 HydrophobicContact CE1-CD1 3.71Å; C53-I58 HydrophobicContact CB-CG1 4.27Å; C53-I58 VanDerWaalsContact CB-O 3.27Å; C53-I58 WeakPolarHBondContact CB-O 2.98Å; C53-I58 PolarHBondContact O-N 2.82Å; M56-I58 VanDerWaalsContact C-N 3.35Å; M56-I58 HydrophobicContact CB-CD1 4.44Å; M56-I58 HydrophobicContact CB-CG1 4.27Å; M56-I58 HydrophobicContact CB-CG2 3.99Å; M56-I58 WeakPolarHBondContact O-CG2 3.32Å; M56-I58 PolarHBondContact O-N 3.42Å; I58-I61 HydrophobicContact CD1-CG1 4.05Å | ||
| 59 | D | 91.3 | Very high | 92.2 | Very high | 86 Ų | 86 | 69.7 Ų | 69.7 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -90.5 | -30.6 | 179 | -44.1 | -63.8 | 0 | 0 | 0 | 113.4 | V5 G6 | V5-D59 HydrophobicContact CG1-CB 4.11Å; G6-D59 VanDerWaalsContact C-OD2 3.25Å; G6-D59 VanDerWaalsContact CA-OD2 3.28Å; G6-D59 WeakPolarHBondContact CA-OD2 3.36Å; G6-D59 WeakPolarHBondContact O-CB 3.23Å |
| 60 | L | 92.9 | Very high | 92.2 | Very high | 8 Ų | 8 | 75.6 Ų | 75.6 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | trans | -143.3 | 131.9 | -169.1 | -177.1 | 66 | 0 | 0 | 0 | 113.5 | V5 I7 N78 K79 V81 M100 | V5-L60 HydrophobicContact CG1-CB 3.64Å; V5-L60 HydrophobicContact CG1-CD1 4.34Å; V5-L60 HydrophobicContact CG1-CD2 4.06Å; V5-L60 HydrophobicContact CG1-CG 4.23Å; I7-L60 HydrophobicContact CD1-CD2 4.14Å; I7-L60 HydrophobicContact CG1-CB 4.29Å; I7-L60 HydrophobicContact CG1-CD2 4.08Å; L60-N78 VanDerWaalsContact CD1-O 3.23Å; L60-N78 WeakPolarHBondContact CD1-O 3.21Å; L60-K79 CarbonylContact C-O 3.55Å; L60-K79 WeakPolarHBondContact CA-O 3.41Å; L60-V81 HydrophobicContact CD1-CB 4.15Å; L60-V81 HydrophobicContact CD1-CG1 3.95Å; L60-V81 HydrophobicContact CD2-CG1 3.99Å; L60-V81 HydrophobicContact CG-CG1 4.17Å; L60-M100 HydrophobicContact CD2-SD 4.36Å | ||
| 61 | I | 94.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 70.3 Ų | 70.3 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.2 | 166.1 | -57.1 | 176.2 | 0 | 0 | 0 | 108.5 | V49 F52 I58 K79 L80 V81 | V49-I61 HydrophobicContact CG1-CD1 3.97Å; F52-I61 HydrophobicContact CD1-CD1 3.55Å; F52-I61 HydrophobicContact CD1-CG1 4.11Å; F52-I61 HydrophobicContact CE1-CD1 4.05Å; F52-I61 HydrophobicContact CE1-CG1 4.29Å; F52-I61 HydrophobicContact CG-CD1 4.39Å; I58-I61 HydrophobicContact CD1-CG1 4.05Å; I61-K79 PolarHBondContact N-O 2.8Å; I61-L80 HydrophobicContact CB-CB 4.2Å; I61-L80 HydrophobicContact CB-CD1 4.18Å; I61-L80 HydrophobicContact CB-CG 4.11Å; I61-L80 HydrophobicContact CD1-CD1 4.44Å; I61-L80 HydrophobicContact CG2-CD1 3.99Å; I61-L80 HydrophobicContact CG2-CG 4.22Å; I61-L80 CarbonylContact O-C 3.58Å; I61-L80 VanDerWaalsContact O-CA 3.31Å; I61-L80 WeakPolarHBondContact O-CA 3.17Å; I61-V81 PolarHBondContact O-N 2.76Å |
| 62 | A | 94.2 | Very high | 92.2 | Very high | 58 Ų | 58 | 67.7 Ų | 67.7 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V81 M100 | A62-V81 HydrophobicContact CB-CG1 4.04Å; A62-M100 HydrophobicContact CB-CE 3.73Å |
| 63 | R | 93.8 | Very high | 92.3 | Very high | 40 Ų | 40 | 68.4 Ų | 68.4 | 15% | 0.151 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 171.7 | 178.3 | 71 | 153.7 | -56.7 | 161.4 | 27.9 | 112.1 | S24 H65 L80 V81 T82 I83 | S24-R63 PolarHBondContact O-NH1 2.7Å; S24-R63 PolarHBondContact O-NH2 2.91Å; S24-R63 VanDerWaalsContact O-NH2 3.1Å; R63-H65 PolarHBondContact NH2-CD2 2.88Å; R63-L80 HydrophobicContact CG-CD2 4.05Å; R63-L80 HydrophobicContact CG-CG 4.44Å; R63-V81 PolarHBondContact N-O 2.94Å; R63-T82 CarbonylContact O-C 3.6Å; R63-T82 WeakPolarHBondContact O-CA 3.26Å; R63-I83 PolarHBondContact O-N 3.19Å |
| 64 | A | 91.1 | Very high | 92.4 | Very high | 53 Ų | 53 | 72.3 Ų | 72.3 | 44% | 0.438 | 37% | 0.367 | S | S | . | . | trans | -126.2 | -130.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q66 I83 | A64-Q66 PolarHBondContact O-N 3.07Å; A64-I83 VanDerWaalsContact CA-O 3.27Å; A64-I83 WeakPolarHBondContact CA-O 3.12Å; A64-I83 VanDerWaalsContact CB-O 3.28Å; A64-I83 WeakPolarHBondContact CB-O 3.14Å | ||
| 65 | H | 86.8 | Confident | 92.5 | Very high | 88 Ų | 88 | 68.6 Ų | 68.6 | 41% | 0.407 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 72.9 | -35 | 170.8 | -179.7 | 75.5 | 0 | 0 | 0 | 116.8 | R63 | R63-H65 PolarHBondContact NH2-CD2 2.88Š|
| 66 | Q | 85.1 | Confident | 92.6 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -101.4 | 130.1 | 176.4 | -68.1 | 171.8 | -77.3 | 0 | 0 | 110.5 | A64 V68 T82 F84 | A64-Q66 PolarHBondContact O-N 3.07Å; Q66-V68 PolarHBondContact O-N 3.28Å; Q66-T82 HydrophobicContact CB-CG2 4.34Å; Q66-F84 VanDerWaalsContact O-CD2 3.3Å; Q66-F84 WeakPolarHBondContact O-CD2 3.39Å |
| 67 | V | 89.9 | Confident | 92.7 | Very high | 45 Ų | 45 | 65.7 Ų | 65.7 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | trans | -63.8 | 127.2 | 168.4 | -173.5 | 0 | 0 | 0 | 0 | 107.6 | F84 Y89 F93 N95 | V67-F84 HydrophobicContact CB-CE1 4.42Å; V67-F84 HydrophobicContact CB-CE2 4.41Å; V67-F84 HydrophobicContact CB-CZ 4.34Å; V67-F84 HydrophobicContact CG1-CD1 4.28Å; V67-F84 HydrophobicContact CG1-CE1 4.15Å; V67-F84 HydrophobicContact CG2-CD2 4.42Å; V67-F84 HydrophobicContact CG2-CE1 4.04Å; V67-F84 HydrophobicContact CG2-CE2 3.8Å; V67-F84 HydrophobicContact CG2-CZ 3.59Å; V67-Y89 HydrophobicContact CG2-CD1 3.38Å; V67-Y89 HydrophobicContact CG2-CE1 3.85Å; V67-Y89 HydrophobicContact CG2-CG 3.97Å; V67-F93 HydrophobicContact CG1-CB 4.27Å; V67-F93 HydrophobicContact CG1-CD1 4.12Å; V67-F93 HydrophobicContact CG1-CG 4.09Å; V67-N95 HydrophobicContact CG1-CB 3.89Å | ||
| 68 | V | 92.1 | Very high | 92.7 | Very high | 9 Ų | 9 | 61.6 Ų | 61.6 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | trans | -127.8 | 137.5 | 177.6 | -69 | 0 | 0 | 0 | 0 | 108.7 | Q66 K70 G71 E73 T82 F84 | Q66-V68 PolarHBondContact O-N 3.28Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 2.83Å; V68-G71 VanDerWaalsContact CG2-C 3.5Å; V68-G71 PolarHBondContact O-N 2.73Å; V68-E73 HydrophobicContact CB-CB 4.1Å; V68-E73 HydrophobicContact CG1-CB 3.76Å; V68-T82 HydrophobicContact CG1-CG2 3.92Å; V68-T82 HydrophobicContact CG2-CG2 4.38Å; V68-F84 HydrophobicContact CG2-CB 3.87Å | ||
| 69 | E | 91.9 | Very high | 92.8 | Very high | 152 Ų | 152 | 63.4 Ų | 63.4 | 71% | 0.71 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -46.3 | -168 | -172.3 | -174.3 | 159.9 | 0 | 0 | 112.8 | G71 N95 S96 | E69-G71 VanDerWaalsContact C-N 3.29Å; E69-G71 PolarHBondContact O-N 2.98Å; E69-N95 CarbonylContact O-C 3.52Å; E69-N95 VanDerWaalsContact O-CA 3.26Å; E69-N95 WeakPolarHBondContact O-CA 3.44Å; E69-S96 PolarHBondContact O-N 3.1Å |
| 70 | K | 92.8 | Very high | 93 | Very high | 127 Ų | 127 | 59.3 Ų | 59.3 | 55% | 0.552 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 5.8 | -177.7 | -61.5 | -178.5 | -177.5 | 175.4 | 0 | 113.8 | V68 Y72 V112 | V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 2.83Å; K70-Y72 HydrophobicContact CB-CD1 4.25Å; K70-Y72 HydrophobicContact CB-CE1 4.16Å; K70-Y72 PolarHBondContact O-N 3.41Å; K70-V112 WeakPolarHBondContact O-CG1 3.46Å |
| 71 | G | 93 | Very high | 93.1 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 73.6 | -3.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V68 E69 F84 S96 G98 | V68-G71 VanDerWaalsContact CG2-C 3.5Å; V68-G71 PolarHBondContact O-N 2.73Å; E69-G71 VanDerWaalsContact C-N 3.29Å; E69-G71 PolarHBondContact O-N 2.98Å; G71-F84 WeakPolarHBondContact CA-O 3.42Å; G71-F84 PolarHBondContact O-N 3.4Å; G71-S96 WeakPolarHBondContact CA-O 3.23Å; G71-S96 PolarHBondContact N-O 2.72Å; G71-G98 WeakPolarHBondContact O-CA 3.07Å; G71-G98 PolarHBondContact O-N 2.96Å |
| 72 | Y | 95.8 | Very high | 93.2 | Very high | 75 Ų | 75 | 57.2 Ų | 57.2 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 158.1 | 165.6 | 73.8 | -77.7 | 0 | 0 | 0 | 111.7 | K70 F74 T82 I110 V112 | K70-Y72 HydrophobicContact CB-CD1 4.25Å; K70-Y72 HydrophobicContact CB-CE1 4.16Å; K70-Y72 PolarHBondContact O-N 3.41Å; Y72-F74 HydrophobicContact CD2-CD2 4.23Å; Y72-F74 HydrophobicContact CD2-CE2 4.08Å; Y72-F74 HydrophobicContact CE2-CD2 4.14Å; Y72-F74 AromaticContact CE2-CE2 3.96Å; Y72-F74 HydrophobicContact CE2-CE2 3.96Å; Y72-T82 CarbonylContact C-O 3.45Å; Y72-T82 WeakPolarHBondContact CA-O 3.3Å; Y72-I110 HydrophobicContact CD1-CD1 4.41Å; Y72-I110 HydrophobicContact CD1-CG2 3.68Å; Y72-I110 HydrophobicContact CD2-CD1 3.45Å; Y72-I110 VanDerWaalsContact CD2-CD1 3.45Å; Y72-I110 HydrophobicContact CE1-CG2 4.26Å; Y72-I110 HydrophobicContact CE2-CD1 4.05Å; Y72-I110 HydrophobicContact CG-CD1 3.66Å; Y72-I110 HydrophobicContact CG-CG2 3.88Å; Y72-V112 HydrophobicContact CD1-CG2 3.9Å; Y72-V112 HydrophobicContact CE1-CG2 3.77Å |
| 73 | E | 95.1 | Very high | 93.2 | Very high | 109 Ų | 109 | 55.4 Ų | 55.4 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 135.5 | 173 | -173.7 | 171.1 | 78.3 | 0 | 0 | 110.8 | V68 V81 T82 | V68-E73 HydrophobicContact CB-CB 4.1Å; V68-E73 HydrophobicContact CG1-CB 3.76Å; E73-V81 CarbonylContact O-C 3.54Å; E73-V81 WeakPolarHBondContact O-CA 3.3Å; E73-T82 PolarHBondContact N-O 2.99Å; E73-T82 PolarHBondContact O-N 3.46Å |
| 74 | F | 95.7 | Very high | 93.3 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 37% | 0.373 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 150.1 | 174.3 | -76.1 | -74.5 | 0 | 0 | 0 | 111.8 | Y72 N78 L80 V81 I110 | Y72-F74 HydrophobicContact CD2-CD2 4.23Å; Y72-F74 HydrophobicContact CD2-CE2 4.08Å; Y72-F74 HydrophobicContact CE2-CD2 4.14Å; Y72-F74 AromaticContact CE2-CE2 3.96Å; Y72-F74 HydrophobicContact CE2-CE2 3.96Å; F74-N78 WeakPolarHBondContact CB-OD1 3.02Å; F74-N78 HydrophobicContact CD1-CB 3.93Å; F74-N78 HydrophobicContact CE1-CB 4.34Å; F74-N78 HydrophobicContact CG-CB 4.41Å; F74-N78 WeakPolarHBondContact CG-OD1 3.06Å; F74-L80 CarbonylContact C-O 3.45Å; F74-L80 WeakPolarHBondContact CA-O 3.41Å; F74-V81 HydrophobicContact CD1-CB 3.88Å; F74-V81 HydrophobicContact CD1-CG2 4.07Å; F74-V81 HydrophobicContact CE1-CB 3.78Å; F74-V81 HydrophobicContact CE1-CG2 3.88Å; F74-V81 HydrophobicContact CZ-CG2 4.21Å; F74-I110 HydrophobicContact CE2-CD1 4.2Å; F74-I110 HydrophobicContact CZ-CD1 4.09Å |
| 75 | F | 95 | Very high | 93.4 | Very high | 28 Ų | 28 | 55.8 Ų | 55.8 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 157.6 | 179.5 | -176.9 | -102.4 | 0 | 0 | 0 | 110.3 | P26 P46 V49 N78 K79 L80 | P26-F75 HydrophobicContact CB-CD1 3.53Å; P26-F75 HydrophobicContact CB-CD2 3.9Å; P26-F75 HydrophobicContact CB-CE1 3.49Å; P26-F75 VanDerWaalsContact CB-CE1 3.49Å; P26-F75 HydrophobicContact CB-CE2 3.86Å; P26-F75 HydrophobicContact CB-CG 3.73Å; P26-F75 HydrophobicContact CB-CZ 3.66Å; P26-F75 HydrophobicContact CG-CG 4.46Å; P46-F75 HydrophobicContact CB-CE1 4.08Å; P46-F75 HydrophobicContact CB-CZ 4.03Å; P46-F75 HydrophobicContact CG-CZ 4.45Å; V49-F75 HydrophobicContact CG2-CD1 4Å; V49-F75 HydrophobicContact CG2-CE1 3.9Å; F75-N78 PolarHBondContact O-N 3.44Å; F75-K79 PolarHBondContact O-N 2.81Å; F75-L80 HydrophobicContact CB-CB 4.22Å; F75-L80 HydrophobicContact CB-CD2 3.86Å; F75-L80 HydrophobicContact CD1-CB 4.38Å; F75-L80 PolarHBondContact N-O 2.82Å; F75-L80 PolarHBondContact O-N 2.97Å; F75-L80 VanDerWaalsContact O-N 3.09Å |
| 76 | A | 95.2 | Very high | 93.6 | Very high | 15 Ų | 15 | 53.5 Ų | 53.5 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 60 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P46 V49 N78 K79 | P46-A76 HydrophobicContact CB-CB 3.67Å; V49-A76 HydrophobicContact CB-CB 3.71Å; V49-A76 HydrophobicContact CG1-CB 3.69Å; V49-A76 HydrophobicContact CG2-CB 4.24Å; A76-N78 VanDerWaalsContact C-N 3.32Å; A76-N78 PolarHBondContact O-N 2.82Å; A76-K79 VanDerWaalsContact O-CB 3.23Å; A76-K79 WeakPolarHBondContact O-CB 3.28Å; A76-K79 WeakPolarHBondContact O-CG 3.41Å; A76-K79 PolarHBondContact O-N 3.39Å |
| 77 | D | 94.4 | Very high | 93.9 | Very high | 142 Ų | 142 | 52.8 Ų | 52.8 | 76% | 0.759 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 48.3 | -179.1 | -164.1 | 31.4 | 0 | 0 | 0 | 113.4 | K79 | D77-K79 PolarHBondContact O-N 2.79Å; D77-K79 VanDerWaalsContact O-N 3.16Å |
| 78 | N | 94.6 | Very high | 93.8 | Very high | 62 Ų | 62 | 53.2 Ų | 53.2 | 33% | 0.332 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 13.2 | -178.2 | -47.4 | -57.9 | 0 | 0 | 0 | 115.5 | L60 F74 F75 A76 L80 | L60-N78 VanDerWaalsContact CD1-O 3.23Å; L60-N78 WeakPolarHBondContact CD1-O 3.21Å; F74-N78 WeakPolarHBondContact CB-OD1 3.02Å; F74-N78 HydrophobicContact CD1-CB 3.93Å; F74-N78 HydrophobicContact CE1-CB 4.34Å; F74-N78 HydrophobicContact CG-CB 4.41Å; F74-N78 WeakPolarHBondContact CG-OD1 3.06Å; F75-N78 PolarHBondContact O-N 3.44Å; A76-N78 VanDerWaalsContact C-N 3.32Å; A76-N78 PolarHBondContact O-N 2.82Å; N78-L80 VanDerWaalsContact C-N 3.32Å |
| 79 | K | 94.3 | Very high | 93.7 | Very high | 59 Ų | 59 | 57.5 Ų | 57.5 | 26% | 0.257 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -11.3 | 174.4 | -65.5 | -178.2 | 177.2 | -69 | 0 | 113.9 | V49 E50 C53 L60 I61 F75 A76 D77 | V49-K79 HydrophobicContact CG1-CB 3.81Å; E50-K79 HydrophobicContact CB-CD 4.5Å; C53-K79 HydrophobicContact CB-CD 4.35Å; L60-K79 CarbonylContact C-O 3.55Å; L60-K79 WeakPolarHBondContact CA-O 3.41Å; I61-K79 PolarHBondContact N-O 2.8Å; F75-K79 PolarHBondContact O-N 2.81Å; A76-K79 VanDerWaalsContact O-CB 3.23Å; A76-K79 WeakPolarHBondContact O-CB 3.28Å; A76-K79 WeakPolarHBondContact O-CG 3.41Å; A76-K79 PolarHBondContact O-N 3.39Å; D77-K79 PolarHBondContact O-N 2.79Å; D77-K79 VanDerWaalsContact O-N 3.16Å |
| 80 | L | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 136.7 | 170.5 | -178.8 | 152.7 | 0 | 0 | 0 | 110.1 | P26 F44 V49 I61 R63 F74 F75 N78 | P26-L80 HydrophobicContact CG-CD2 4.34Å; F44-L80 HydrophobicContact CE2-CD1 3.94Å; F44-L80 HydrophobicContact CZ-CD1 4.04Å; V49-L80 HydrophobicContact CG1-CB 3.96Å; V49-L80 HydrophobicContact CG2-CB 4.48Å; V49-L80 HydrophobicContact CG2-CD1 4.01Å; I61-L80 HydrophobicContact CB-CB 4.2Å; I61-L80 HydrophobicContact CB-CD1 4.18Å; I61-L80 HydrophobicContact CB-CG 4.11Å; I61-L80 HydrophobicContact CD1-CD1 4.44Å; I61-L80 HydrophobicContact CG2-CD1 3.99Å; I61-L80 HydrophobicContact CG2-CG 4.22Å; I61-L80 CarbonylContact O-C 3.58Å; I61-L80 VanDerWaalsContact O-CA 3.31Å; I61-L80 WeakPolarHBondContact O-CA 3.17Å; R63-L80 HydrophobicContact CG-CD2 4.05Å; R63-L80 HydrophobicContact CG-CG 4.44Å; F74-L80 CarbonylContact C-O 3.45Å; F74-L80 WeakPolarHBondContact CA-O 3.41Å; F75-L80 HydrophobicContact CB-CB 4.22Å; F75-L80 HydrophobicContact CB-CD2 3.86Å; F75-L80 HydrophobicContact CD1-CB 4.38Å; F75-L80 PolarHBondContact N-O 2.82Å; F75-L80 PolarHBondContact O-N 2.97Å; F75-L80 VanDerWaalsContact O-N 3.09Å; N78-L80 VanDerWaalsContact C-N 3.32Å |
| 81 | V | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.4 | 171.8 | 67.2 | 0 | 0 | 0 | 0 | 110.2 | L60 I61 A62 R63 E73 F74 I83 M100 I110 | L60-V81 HydrophobicContact CD1-CB 4.15Å; L60-V81 HydrophobicContact CD1-CG1 3.95Å; L60-V81 HydrophobicContact CD2-CG1 3.99Å; L60-V81 HydrophobicContact CG-CG1 4.17Å; I61-V81 PolarHBondContact O-N 2.76Å; A62-V81 HydrophobicContact CB-CG1 4.04Å; R63-V81 PolarHBondContact N-O 2.94Å; E73-V81 CarbonylContact O-C 3.54Å; E73-V81 WeakPolarHBondContact O-CA 3.3Å; F74-V81 HydrophobicContact CD1-CB 3.88Å; F74-V81 HydrophobicContact CD1-CG2 4.07Å; F74-V81 HydrophobicContact CE1-CB 3.78Å; F74-V81 HydrophobicContact CE1-CG2 3.88Å; F74-V81 HydrophobicContact CZ-CG2 4.21Å; V81-I83 HydrophobicContact CG2-CD1 3.79Å; V81-I83 HydrophobicContact CG2-CG1 4.34Å; V81-M100 HydrophobicContact CG1-SD 3.96Å; V81-I110 HydrophobicContact CG2-CD1 4.16Å |
| 82 | T | 95 | Very high | 92.8 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.9 | 165.7 | -59.9 | 0 | 0 | 0 | 0 | 108.3 | R63 Q66 V68 Y72 E73 | R63-T82 CarbonylContact O-C 3.6Å; R63-T82 WeakPolarHBondContact O-CA 3.26Å; Q66-T82 HydrophobicContact CB-CG2 4.34Å; V68-T82 HydrophobicContact CG1-CG2 3.92Å; V68-T82 HydrophobicContact CG2-CG2 4.38Å; Y72-T82 CarbonylContact C-O 3.45Å; Y72-T82 WeakPolarHBondContact CA-O 3.3Å; E73-T82 PolarHBondContact N-O 2.99Å; E73-T82 PolarHBondContact O-N 3.46Å |
| 83 | I | 95.4 | Very high | 92.4 | Very high | 21 Ų | 21 | 59.5 Ų | 59.5 | 11% | 0.108 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132 | 172.5 | -57 | -63.6 | 0 | 0 | 0 | 108.7 | R63 A64 V81 G98 M100 I110 | R63-I83 PolarHBondContact O-N 3.19Å; A64-I83 VanDerWaalsContact CA-O 3.27Å; A64-I83 WeakPolarHBondContact CA-O 3.12Å; A64-I83 VanDerWaalsContact CB-O 3.28Å; A64-I83 WeakPolarHBondContact CB-O 3.14Å; V81-I83 HydrophobicContact CG2-CD1 3.79Å; V81-I83 HydrophobicContact CG2-CG1 4.34Å; I83-G98 VanDerWaalsContact CG2-O 3.31Å; I83-G98 WeakPolarHBondContact CG2-O 3.15Å; I83-M100 HydrophobicContact CD1-CB 3.97Å; I83-M100 HydrophobicContact CG1-CB 4.09Å; I83-I110 HydrophobicContact CD1-CD1 4.02Å; I83-I110 HydrophobicContact CD1-CG1 4.35Å |
| 84 | F | 94.7 | Very high | 92.2 | Very high | 24 Ų | 24 | 61.8 Ų | 61.8 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | trans | -130.9 | 119.8 | 176.6 | -164.3 | -92.9 | 0 | 0 | 0 | 110.3 | Q66 V67 V68 G71 A86 Y89 N95 A97 G98 | Q66-F84 VanDerWaalsContact O-CD2 3.3Å; Q66-F84 WeakPolarHBondContact O-CD2 3.39Å; V67-F84 HydrophobicContact CB-CE1 4.42Å; V67-F84 HydrophobicContact CB-CE2 4.41Å; V67-F84 HydrophobicContact CB-CZ 4.34Å; V67-F84 HydrophobicContact CG1-CD1 4.28Å; V67-F84 HydrophobicContact CG1-CE1 4.15Å; V67-F84 HydrophobicContact CG2-CD2 4.42Å; V67-F84 HydrophobicContact CG2-CE1 4.04Å; V67-F84 HydrophobicContact CG2-CE2 3.8Å; V67-F84 HydrophobicContact CG2-CZ 3.59Å; V68-F84 HydrophobicContact CG2-CB 3.87Å; G71-F84 WeakPolarHBondContact CA-O 3.42Å; G71-F84 PolarHBondContact O-N 3.4Å; F84-A86 HydrophobicContact CD1-CB 4.48Å; F84-A86 HydrophobicContact CE1-CB 3.73Å; F84-A86 VanDerWaalsContact CE1-O 3.23Å; F84-A86 WeakPolarHBondContact CE1-O 3.36Å; F84-A86 HydrophobicContact CZ-CB 4.2Å; F84-Y89 AromaticContact CE1-CD2 3.93Å; F84-Y89 HydrophobicContact CE1-CD2 3.93Å; F84-Y89 AromaticContact CE1-CG 3.91Å; F84-Y89 HydrophobicContact CE1-CG 3.91Å; F84-Y89 HydrophobicContact CZ-CD1 4.19Å; F84-Y89 AromaticContact CZ-CD2 3.55Å; F84-Y89 HydrophobicContact CZ-CD2 3.55Å; F84-Y89 HydrophobicContact CZ-CE1 4.49Å; F84-Y89 AromaticContact CZ-CE2 3.92Å; F84-Y89 HydrophobicContact CZ-CE2 3.92Å; F84-Y89 AromaticContact CZ-CG 3.7Å; F84-Y89 HydrophobicContact CZ-CG 3.7Å; F84-N95 WeakPolarHBondContact CD1-ND2 3.43Å; F84-A97 CarbonylContact O-C 3.57Å; F84-A97 WeakPolarHBondContact O-CA 3.34Å; F84-G98 PolarHBondContact O-N 3.25Å | ||
| 85 | S | 93.1 | Very high | 92 | Very high | 77 Ų | 77 | 58 Ų | 58 | 54% | 0.538 | 32% | 0.323 | S | S | . | . | trans | -108.9 | 6.6 | -165.3 | -50.9 | 0 | 0 | 0 | 0 | 114.9 | A97 G98 | S85-A97 WeakPolarHBondContact O-CB 2.99Å; S85-G98 PolarHBondContact OG-O 2.99Å | ||
| 86 | A | 91.7 | Very high | 91.9 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | trans | -103.4 | 104.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | F84 Y89 N95 | F84-A86 HydrophobicContact CD1-CB 4.48Å; F84-A86 HydrophobicContact CE1-CB 3.73Å; F84-A86 VanDerWaalsContact CE1-O 3.23Å; F84-A86 WeakPolarHBondContact CE1-O 3.36Å; F84-A86 HydrophobicContact CZ-CB 4.2Å; A86-Y89 HydrophobicContact CB-CD2 4.08Å; A86-N95 PolarHBondContact O-ND2 3.2Å | ||
| 87 | P | 91.4 | Very high | 91.9 | Very high | 37 Ų | 37 | 57.2 Ų | 57.2 | 24% | 0.24 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -73.2 | 152.3 | 177.3 | 32.7 | -29.9 | 0 | 0 | 0 | 109.6 | Y89 N95 A97 L115 | P87-Y89 VanDerWaalsContact C-N 3.35Å; P87-Y89 PolarHBondContact O-N 3.09Å; P87-N95 VanDerWaalsContact CA-O 3.3Å; P87-N95 WeakPolarHBondContact CA-O 3.25Å; P87-A97 HydrophobicContact CB-CB 4.02Å; P87-A97 HydrophobicContact CG-CB 4.09Å; P87-L115 HydrophobicContact CB-CB 4.1Å; P87-L115 HydrophobicContact CB-CD1 4.34Å; P87-L115 HydrophobicContact CG-CB 4.37Å; P87-L115 HydrophobicContact CG-CD1 3.85Å |
| 88 | N | 89.2 | Confident | 91.9 | Very high | 54 Ų | 54 | 50.5 Ų | 50.5 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 49.8 | 51.7 | -175.8 | -170.7 | 22.8 | 0 | 0 | 0 | 113.1 | C90 G91 F93 N95 L115 | N88-C90 PolarHBondContact O-N 2.8Å; N88-G91 PolarHBondContact O-N 3.02Å; N88-G91 VanDerWaalsContact OD1-CA 3.31Å; N88-G91 WeakPolarHBondContact OD1-CA 3.27Å; N88-F93 WeakPolarHBondContact CA-O 3.31Å; N88-F93 PolarHBondContact OD1-O 3.17Å; N88-F93 VanDerWaalsContact OD1-O 3.06Å; N88-N95 PolarHBondContact N-O 2.91Å; N88-L115 HydrophobicContact CB-CB 4.25Å; N88-L115 HydrophobicContact CB-CD1 4.19Å; N88-L115 HydrophobicContact CB-CD2 3.9Å; N88-L115 HydrophobicContact CB-CG 4.34Å |
| 89 | Y | 88.1 | Confident | 91.9 | Very high | 98 Ų | 98 | 51.9 Ų | 51.9 | 38% | 0.384 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -54.4 | 126.1 | -169.8 | -175.1 | -119.7 | 0 | 0 | 0 | 111.4 | V67 F84 A86 P87 G91 Q92 F93 N95 | V67-Y89 HydrophobicContact CG2-CD1 3.38Å; V67-Y89 HydrophobicContact CG2-CE1 3.85Å; V67-Y89 HydrophobicContact CG2-CG 3.97Å; F84-Y89 AromaticContact CE1-CD2 3.93Å; F84-Y89 HydrophobicContact CE1-CD2 3.93Å; F84-Y89 AromaticContact CE1-CG 3.91Å; F84-Y89 HydrophobicContact CE1-CG 3.91Å; F84-Y89 HydrophobicContact CZ-CD1 4.19Å; F84-Y89 AromaticContact CZ-CD2 3.55Å; F84-Y89 HydrophobicContact CZ-CD2 3.55Å; F84-Y89 HydrophobicContact CZ-CE1 4.49Å; F84-Y89 AromaticContact CZ-CE2 3.92Å; F84-Y89 HydrophobicContact CZ-CE2 3.92Å; F84-Y89 AromaticContact CZ-CG 3.7Å; F84-Y89 HydrophobicContact CZ-CG 3.7Å; A86-Y89 HydrophobicContact CB-CD2 4.08Å; P87-Y89 VanDerWaalsContact C-N 3.35Å; P87-Y89 PolarHBondContact O-N 3.09Å; Y89-G91 PolarHBondContact O-N 3.45Å; Y89-Q92 PolarHBondContact O-N 3.44Å; Y89-F93 AromaticContact CD1-CD2 3.86Å; Y89-F93 HydrophobicContact CD1-CD2 3.86Å; Y89-F93 AromaticContact CD1-CE2 3.92Å; Y89-F93 HydrophobicContact CD1-CE2 3.92Å; Y89-F93 HydrophobicContact CG-CD2 4.44Å; Y89-F93 WeakPolarHBondContact O-CD2 3.21Å; Y89-F93 PolarHBondContact O-N 2.97Å; Y89-N95 VanDerWaalsContact CB-OD1 3.31Å; Y89-N95 WeakPolarHBondContact CB-OD1 3.28Å; Y89-N95 PolarHBondContact N-OD1 3.04Å |
| 90 | C | 87.6 | Confident | 91.9 | Very high | 88 Ų | 88 | 51 Ų | 51 | 60% | 0.595 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | 52.1 | 15.7 | -176.2 | -66.1 | 0 | 0 | 0 | 0 | 115.7 | N88 Q92 | N88-C90 PolarHBondContact O-N 2.8Å; C90-Q92 PolarHBondContact O-N 3.47Å |
| 91 | G | 84.7 | Confident | 91.9 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 57% | 0.567 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | 69.2 | 11.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | N88 Y89 | N88-G91 PolarHBondContact O-N 3.02Å; N88-G91 VanDerWaalsContact OD1-CA 3.31Å; N88-G91 WeakPolarHBondContact OD1-CA 3.27Å; Y89-G91 PolarHBondContact O-N 3.45Å |
| 92 | Q | 87.7 | Confident | 91.8 | Very high | 158 Ų | 158 | 57.1 Ų | 57.1 | 74% | 0.738 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | -15.8 | -171.4 | -69.8 | -179.9 | -2 | 0 | 0 | 113.5 | Y89 C90 | Y89-Q92 PolarHBondContact O-N 3.44Å; C90-Q92 PolarHBondContact O-N 3.47Å |
| 93 | F | 87.1 | Confident | 91.7 | Very high | 96 Ų | 96 | 60.4 Ų | 60.4 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | trans | -120.3 | 139.7 | -177.6 | -64.4 | -91.8 | 0 | 0 | 0 | 108.8 | V67 N88 Y89 N95 | V67-F93 HydrophobicContact CG1-CB 4.27Å; V67-F93 HydrophobicContact CG1-CD1 4.12Å; V67-F93 HydrophobicContact CG1-CG 4.09Å; N88-F93 WeakPolarHBondContact CA-O 3.31Å; N88-F93 PolarHBondContact OD1-O 3.17Å; N88-F93 VanDerWaalsContact OD1-O 3.06Å; Y89-F93 AromaticContact CD1-CD2 3.86Å; Y89-F93 HydrophobicContact CD1-CD2 3.86Å; Y89-F93 AromaticContact CD1-CE2 3.92Å; Y89-F93 HydrophobicContact CD1-CE2 3.92Å; Y89-F93 HydrophobicContact CG-CD2 4.44Å; Y89-F93 WeakPolarHBondContact O-CD2 3.21Å; Y89-F93 PolarHBondContact O-N 2.97Å; F93-N95 HydrophobicContact CB-CB 4.36Å; F93-N95 WeakPolarHBondContact CB-OD1 3.33Å; F93-N95 PolarHBondContact O-N 3.06Å; F93-N95 VanDerWaalsContact O-N 3.17Å | ||
| 94 | D | 90.4 | Very high | 91.7 | Very high | 156 Ų | 156 | 64.2 Ų | 64.2 | 83% | 0.834 | 38% | 0.377 | S | S | * | . | trans | -89.2 | 41.9 | 172.5 | -165.1 | 21.5 | 0 | 0 | 0 | 111.4 | ||||
| 95 | N | 92.5 | Very high | 91.6 | Very high | 6 Ų | 6 | 69.7 Ų | 69.7 | 3% | 0.032 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -86 | 146.2 | -175.4 | 76.8 | -81 | 0 | 0 | 0 | 111.7 | V67 E69 F84 A86 P87 N88 Y89 F93 | V67-N95 HydrophobicContact CG1-CB 3.89Å; E69-N95 CarbonylContact O-C 3.52Å; E69-N95 VanDerWaalsContact O-CA 3.26Å; E69-N95 WeakPolarHBondContact O-CA 3.44Å; F84-N95 WeakPolarHBondContact CD1-ND2 3.43Å; A86-N95 PolarHBondContact O-ND2 3.2Å; P87-N95 VanDerWaalsContact CA-O 3.3Å; P87-N95 WeakPolarHBondContact CA-O 3.25Å; N88-N95 PolarHBondContact N-O 2.91Å; Y89-N95 VanDerWaalsContact CB-OD1 3.31Å; Y89-N95 WeakPolarHBondContact CB-OD1 3.28Å; Y89-N95 PolarHBondContact N-OD1 3.04Å; F93-N95 HydrophobicContact CB-CB 4.36Å; F93-N95 WeakPolarHBondContact CB-OD1 3.33Å; F93-N95 PolarHBondContact O-N 3.06Å; F93-N95 VanDerWaalsContact O-N 3.17Å |
| 96 | S | 93.4 | Very high | 91.5 | Very high | 15 Ų | 15 | 69.6 Ų | 69.6 | 11% | 0.105 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 166.6 | 167.9 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | E69 G71 L114 | E69-S96 PolarHBondContact O-N 3.1Å; G71-S96 WeakPolarHBondContact CA-O 3.23Å; G71-S96 PolarHBondContact N-O 2.72Å; S96-L114 WeakPolarHBondContact OG-CD2 3.31Å |
| 97 | A | 93.6 | Very high | 91.4 | Very high | 11 Ų | 11 | 72 Ų | 72 | 9% | 0.091 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F84 S85 P87 V112 T113 | F84-A97 CarbonylContact O-C 3.57Å; F84-A97 WeakPolarHBondContact O-CA 3.34Å; S85-A97 WeakPolarHBondContact O-CB 2.99Å; P87-A97 HydrophobicContact CB-CB 4.02Å; P87-A97 HydrophobicContact CG-CB 4.09Å; A97-V112 CarbonylContact O-C 3.53Å; A97-V112 VanDerWaalsContact O-CA 3.3Å; A97-V112 WeakPolarHBondContact O-CA 3.31Å; A97-T113 PolarHBondContact N-O 2.93Å; A97-T113 PolarHBondContact O-N 2.98Å |
| 98 | G | 94.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 71.9 Ų | 71.9 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 145.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G71 I83 F84 S85 R111 | G71-G98 WeakPolarHBondContact O-CA 3.07Å; G71-G98 PolarHBondContact O-N 2.96Å; I83-G98 VanDerWaalsContact CG2-O 3.31Å; I83-G98 WeakPolarHBondContact CG2-O 3.15Å; F84-G98 PolarHBondContact O-N 3.25Å; S85-G98 PolarHBondContact OG-O 2.99Å; G98-R111 CarbonylContact C-O 3.56Å; G98-R111 WeakPolarHBondContact CA-O 3.37Å |
| 99 | L | 94.1 | Very high | 91.6 | Very high | 91 Ų | 91 | 76.8 Ų | 76.8 | 48% | 0.476 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 117.2 | 169.9 | 175.8 | 67.6 | 0 | 0 | 0 | 108.9 | L101 I110 R111 | L99-L101 HydrophobicContact CD2-CD2 4.05Å; L99-L101 HydrophobicContact CG-CD2 4.28Å; L99-I110 CarbonylContact O-C 3.51Å; L99-I110 WeakPolarHBondContact O-CA 3.23Å; L99-R111 HydrophobicContact CB-CB 4.47Å; L99-R111 PolarHBondContact N-O 3.4Å; L99-R111 PolarHBondContact O-N 3.28Å |
| 100 | M | 95.2 | Very high | 91.9 | Very high | 40 Ų | 40 | 74 Ų | 74 | 20% | 0.197 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 117.1 | 174.4 | -170.3 | 174.9 | 75.2 | 0 | 0 | 110.3 | I7 L60 A62 V81 I83 V102 C108 I110 | I7-M100 HydrophobicContact CD1-CE 3.88Å; L60-M100 HydrophobicContact CD2-SD 4.36Å; A62-M100 HydrophobicContact CB-CE 3.73Å; V81-M100 HydrophobicContact CG1-SD 3.96Å; I83-M100 HydrophobicContact CD1-CB 3.97Å; I83-M100 HydrophobicContact CG1-CB 4.09Å; M100-V102 HydrophobicContact CE-CG2 3.84Å; M100-V102 HydrophobicContact CG-CG2 4.26Å; M100-C108 HydrophobicContact CG-CB 4.36Å; M100-C108 HydrophobicContact SD-CB 4.34Å; M100-I110 HydrophobicContact CB-CG1 4.48Å; M100-I110 HydrophobicContact CG-CG1 4.36Å |
| 101 | L | 94.7 | Very high | 92.2 | Very high | 62 Ų | 62 | 76.6 Ų | 76.6 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.1 | 172.4 | -60.5 | 170.2 | 0 | 0 | 0 | 108.4 | L99 C108 R109 R111 | L99-L101 HydrophobicContact CD2-CD2 4.05Å; L99-L101 HydrophobicContact CG-CD2 4.28Å; L101-C108 CarbonylContact O-C 3.53Å; L101-C108 WeakPolarHBondContact O-CA 3.3Å; L101-R109 HydrophobicContact CB-CB 4.47Å; L101-R109 PolarHBondContact N-O 2.98Å; L101-R109 PolarHBondContact O-N 3.17Å; L101-R111 HydrophobicContact CD1-CG 3.9Å; L101-R111 VanDerWaalsContact CD1-NE 3.32Å |
| 102 | V | 94.4 | Very high | 92.6 | Very high | 67 Ų | 67 | 77.2 Ų | 77.2 | 41% | 0.406 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.7 | 177.6 | -173.6 | 0 | 0 | 0 | 0 | 107.5 | I7 M100 L106 K107 | I7-V102 HydrophobicContact CD1-CG1 4.06Å; I7-V102 HydrophobicContact CD1-CG2 3.7Å; M100-V102 HydrophobicContact CE-CG2 3.84Å; M100-V102 HydrophobicContact CG-CG2 4.26Å; V102-L106 HydrophobicContact CG1-CD2 4.41Å; V102-K107 WeakPolarHBondContact CA-O 3.37Å |
| 103 | D | 92.8 | Very high | 92.7 | Very high | 72 Ų | 72 | 73.1 Ų | 73.1 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | trans | -87.5 | 178.6 | 178.5 | 77.1 | 15.2 | 0 | 0 | 0 | 112.9 | N105 L106 K107 | D103-N105 PolarHBondContact O-N 3.41Å; D103-N105 WeakPolarHBondContact OD1-CA 3.2Å; D103-N105 WeakPolarHBondContact OD1-CB 3.4Å; D103-N105 PolarHBondContact OD1-N 2.79Å; D103-L106 WeakPolarHBondContact O-CA 3.4Å; D103-L106 PolarHBondContact O-N 2.83Å; D103-L106 PolarHBondContact OD1-N 2.96Å; D103-K107 PolarHBondContact N-O 3.4Å; D103-K107 VanDerWaalsContact N-O 3.07Å; D103-K107 WeakPolarHBondContact OD1-CB 3.43Å; D103-K107 PolarHBondContact OD1-N 2.87Å; D103-K107 WeakPolarHBondContact OD2-CB 3.19Å | ||
| 104 | A | 94.1 | Very high | 92.5 | Very high | 101 Ų | 101 | 74 Ų | 74 | 84% | 0.835 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -19.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L106 | A104-L106 VanDerWaalsContact C-N 3.27Š|
| 105 | N | 92.9 | Very high | 91.8 | Very high | 139 Ų | 139 | 70.2 Ų | 70.2 | 74% | 0.743 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 14.7 | 174 | -56.4 | -53.6 | 0 | 0 | 0 | 111.5 | D103 K107 | D103-N105 PolarHBondContact O-N 3.41Å; D103-N105 WeakPolarHBondContact OD1-CA 3.2Å; D103-N105 WeakPolarHBondContact OD1-CB 3.4Å; D103-N105 PolarHBondContact OD1-N 2.79Å; N105-K107 PolarHBondContact O-N 3.31Å |
| 106 | L | 90.7 | Very high | 90.4 | Very high | 75 Ų | 75 | 78.4 Ų | 78.4 | 39% | 0.393 | 41% | 0.408 | S | S | . | . | trans | 62.2 | 16 | -177.4 | -54.7 | 169.8 | 0 | 0 | 0 | 114.1 | I7 V102 D103 A104 C108 | I7-L106 HydrophobicContact CB-CD2 4.43Å; I7-L106 WeakPolarHBondContact O-CD1 3.23Å; I7-L106 WeakPolarHBondContact O-CD2 3.37Å; V102-L106 HydrophobicContact CG1-CD2 4.41Å; D103-L106 WeakPolarHBondContact O-CA 3.4Å; D103-L106 PolarHBondContact O-N 2.83Å; D103-L106 PolarHBondContact OD1-N 2.96Å; A104-L106 VanDerWaalsContact C-N 3.27Å; L106-C108 PolarHBondContact O-N 3.25Å | ||
| 107 | K | 90.4 | Very high | 88.6 | Confident | 89 Ų | 89 | 84.7 Ų | 84.7 | 39% | 0.387 | 44% | 0.435 | S | S | . | . | trans | -72.4 | 126.1 | 176.2 | -174.8 | 176.8 | -178.2 | 169.8 | 0 | 109.6 | T4 V102 D103 N105 | T4-K107 HydrophobicContact CG2-CG 4.34Å; V102-K107 WeakPolarHBondContact CA-O 3.37Å; D103-K107 PolarHBondContact N-O 3.4Å; D103-K107 VanDerWaalsContact N-O 3.07Å; D103-K107 WeakPolarHBondContact OD1-CB 3.43Å; D103-K107 PolarHBondContact OD1-N 2.87Å; D103-K107 WeakPolarHBondContact OD2-CB 3.19Å; N105-K107 PolarHBondContact O-N 3.31Å | ||
| 108 | C | 92 | Very high | 86.2 | Confident | 34 Ų | 34 | 91.8 Ų | 91.8 | 23% | 0.23 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 133.4 | 177.9 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | I7 M100 L101 L106 | I7-C108 WeakPolarHBondContact CD1-SG 3.39Å; M100-C108 HydrophobicContact CG-CB 4.36Å; M100-C108 HydrophobicContact SD-CB 4.34Å; L101-C108 CarbonylContact O-C 3.53Å; L101-C108 WeakPolarHBondContact O-CA 3.3Å; L106-C108 PolarHBondContact O-N 3.25Å |
| 109 | R | 93.1 | Very high | 83.8 | Confident | 157 Ų | 157 | 98.7 Ų | 98.7 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.7 | 169.3 | -176.1 | -173.5 | -56.7 | -176.5 | 6.2 | 109.3 | L101 | L101-R109 HydrophobicContact CB-CB 4.47Å; L101-R109 PolarHBondContact N-O 2.98Å; L101-R109 PolarHBondContact O-N 3.17Å |
| 110 | I | 93.8 | Very high | 81.5 | Confident | 41 Ų | 41 | 98.8 Ų | 98.8 | 21% | 0.21 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.4 | 176.6 | -57.1 | 174.4 | 0 | 0 | 0 | 109.1 | Y72 F74 V81 I83 L99 M100 V112 | Y72-I110 HydrophobicContact CD1-CD1 4.41Å; Y72-I110 HydrophobicContact CD1-CG2 3.68Å; Y72-I110 HydrophobicContact CD2-CD1 3.45Å; Y72-I110 VanDerWaalsContact CD2-CD1 3.45Å; Y72-I110 HydrophobicContact CE1-CG2 4.26Å; Y72-I110 HydrophobicContact CE2-CD1 4.05Å; Y72-I110 HydrophobicContact CG-CD1 3.66Å; Y72-I110 HydrophobicContact CG-CG2 3.88Å; F74-I110 HydrophobicContact CE2-CD1 4.2Å; F74-I110 HydrophobicContact CZ-CD1 4.09Å; V81-I110 HydrophobicContact CG2-CD1 4.16Å; I83-I110 HydrophobicContact CD1-CD1 4.02Å; I83-I110 HydrophobicContact CD1-CG1 4.35Å; L99-I110 CarbonylContact O-C 3.51Å; L99-I110 WeakPolarHBondContact O-CA 3.23Å; M100-I110 HydrophobicContact CB-CG1 4.48Å; M100-I110 HydrophobicContact CG-CG1 4.36Å; I110-V112 HydrophobicContact CG2-CG2 4.31Å |
| 111 | R | 94 | Very high | 79.1 | Confident | 142 Ų | 142 | 105.2 Ų | 105.2 | 54% | 0.536 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 135.6 | 166.6 | -68.1 | -171.4 | 179.7 | 179.4 | 3.4 | 108.8 | G98 L99 L101 | G98-R111 CarbonylContact C-O 3.56Å; G98-R111 WeakPolarHBondContact CA-O 3.37Å; L99-R111 HydrophobicContact CB-CB 4.47Å; L99-R111 PolarHBondContact N-O 3.4Å; L99-R111 PolarHBondContact O-N 3.28Å; L101-R111 HydrophobicContact CD1-CG 3.9Å; L101-R111 VanDerWaalsContact CD1-NE 3.32Å |
| 112 | V | 93.4 | Very high | 77.1 | Confident | 68 Ų | 68 | 107.8 Ų | 107.8 | 41% | 0.412 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.4 | 177.6 | -178 | 0 | 0 | 0 | 0 | 108.7 | K70 Y72 A97 I110 | K70-V112 WeakPolarHBondContact O-CG1 3.46Å; Y72-V112 HydrophobicContact CD1-CG2 3.9Å; Y72-V112 HydrophobicContact CE1-CG2 3.77Å; A97-V112 CarbonylContact O-C 3.53Å; A97-V112 VanDerWaalsContact O-CA 3.3Å; A97-V112 WeakPolarHBondContact O-CA 3.31Å; I110-V112 HydrophobicContact CG2-CG2 4.31Å |
| 113 | T | 88.6 | Confident | 75 | Confident | 72 Ų | 72 | 109.9 Ų | 109.9 | 44% | 0.442 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.9 | 177.9 | -54 | 0 | 0 | 0 | 0 | 109 | A97 F116 | A97-T113 PolarHBondContact N-O 2.93Å; A97-T113 PolarHBondContact O-N 2.98Å; T113-F116 HydrophobicContact CG2-CE2 4.22Å |
| 114 | L | 84.4 | Confident | 73.4 | Confident | 115 Ų | 115 | 111.3 Ų | 111.3 | 60% | 0.602 | 59% | 0.594 | S | S | * | * | trans | -85.7 | 157.7 | 171.5 | -67.1 | 167.9 | 0 | 0 | 0 | 109.8 | S96 F116 | S96-L114 WeakPolarHBondContact OG-CD2 3.31Å; L114-F116 PolarHBondContact O-N 3.32Å | ||
| 115 | L | 75.5 | Confident | 71.9 | Confident | 76 Ų | 76 | 117.6 Ų | 117.6 | 40% | 0.398 | 61% | 0.611 | S | S | . | * | trans | -60.8 | 110.6 | 167.4 | -165.9 | 88.6 | 0 | 0 | 0 | 107.5 | P87 N88 H117 | P87-L115 HydrophobicContact CB-CB 4.1Å; P87-L115 HydrophobicContact CB-CD1 4.34Å; P87-L115 HydrophobicContact CG-CB 4.37Å; P87-L115 HydrophobicContact CG-CD1 3.85Å; N88-L115 HydrophobicContact CB-CB 4.25Å; N88-L115 HydrophobicContact CB-CD1 4.19Å; N88-L115 HydrophobicContact CB-CD2 3.9Å; N88-L115 HydrophobicContact CB-CG 4.34Å; L115-H117 VanDerWaalsContact C-N 3.34Å; L115-H117 PolarHBondContact O-N 2.92Å | ||
| 116 | F | 61.8 | Low | 70.8 | Confident | 178 Ų | 178 | 116.6 Ų | 116.6 | 78% | 0.781 | 60% | 0.604 | S | S | * | * | trans | -66.5 | 101.8 | 163.5 | -72.7 | -79.1 | 0 | 0 | 0 | 106.4 | T113 L114 Q118 | T113-F116 HydrophobicContact CG2-CE2 4.22Å; L114-F116 PolarHBondContact O-N 3.32Å; F116-Q118 PolarHBondContact O-N 3.17Å | ||
| 117 | H | 56.6 | Low | 69.8 | Low | 146 Ų | 146 | 118.7 Ų | 118.7 | 68% | 0.676 | 62% | 0.615 | S | S | * | * | trans | -61.1 | 90.5 | 153.7 | -97.4 | 74.1 | 0 | 0 | 0 | 106.1 | L115 L119 | L115-H117 VanDerWaalsContact C-N 3.34Å; L115-H117 PolarHBondContact O-N 2.92Å; H117-L119 PolarHBondContact O-N 2.93Å | ||
| 118 | Q | 42.1 | Very low | 68.6 | Low | 160 Ų | 160 | 120.4 Ų | 120.4 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | trans | -67.7 | 85.5 | 154.1 | -86.6 | -166.6 | -38.2 | 0 | 0 | 106.6 | F116 T120 | F116-Q118 PolarHBondContact O-N 3.17Å; Q118-T120 PolarHBondContact O-N 2.9Å | ||
| 119 | L | 44.5 | Very low | 67.3 | Low | 147 Ų | 147 | 125.5 Ų | 125.5 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | trans | -58.3 | 80.6 | 143.2 | -74 | 162.8 | 0 | 0 | 0 | 107.4 | H117 | H117-L119 PolarHBondContact O-N 2.93Š| ||
| 120 | T | 46.6 | Very low | 65.6 | Low | 94 Ų | 94 | 123.5 Ų | 123.5 | 58% | 0.577 | 66% | 0.655 | S | S | * | * | trans | -116.4 | 61.3 | 149.5 | 56.3 | 0 | 0 | 0 | 0 | 107.3 | Q118 T122 | Q118-T120 PolarHBondContact O-N 2.9Å; T120-T122 PolarHBondContact O-N 3.08Å | ||
| 121 | M | 43.7 | Very low | 63.8 | Low | 175 Ų | 175 | 129 Ų | 129 | 86% | 0.862 | 69% | 0.685 | S | S | * | * | trans | -80.2 | 72.7 | 149.2 | -72.8 | -72.4 | 156.7 | 0 | 0 | 106.5 | ||||
| 122 | T | 53.4 | Low | 61.6 | Low | 116 Ų | 116 | 128.1 Ų | 128.1 | 71% | 0.712 | 70% | 0.695 | S | S | * | * | trans | -70.7 | 121.4 | 152.1 | 39.8 | 0 | 0 | 0 | 0 | 105.8 | T120 A124 | T120-T122 PolarHBondContact O-N 3.08Å; T122-A124 PolarHBondContact O-N 3.3Å | ||
| 123 | P | 51.1 | Low | 59.2 | Low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | trans | -62.2 | 131.2 | 167.9 | 21.6 | -18.9 | 0 | 0 | 0 | 106.9 | I125 | P123-I125 PolarHBondContact O-N 3.27Å; P123-I125 VanDerWaalsContact O-N 3.08Å | ||
| 124 | A | 57.8 | Low | 56.7 | Low | 102 Ų | 102 | 137.8 Ų | 137.8 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | -58 | 114.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | T122 | T122-A124 PolarHBondContact O-N 3.3Š| ||
| 125 | I | 63 | Low | 54.2 | Low | 233 Ų | 233 | 139.8 Ų | 139.8 | 100% | 1.195 | 75% | 0.753 | S | S | * | * | trans | -79.1 | 0 | 158.7 | -55.8 | 175 | 0 | 0 | 0 | 106.4 | P123 | P123-I125 PolarHBondContact O-N 3.27Å; P123-I125 VanDerWaalsContact O-N 3.08Å |
Retrieved 125 of 125 residues in 61.8 ms
(Link to these results)