| 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 | 42.1 | Very low | 35.9 | Very low | 242 Ų | 242 | 151 Ų | 151 | 100% | 1.192 | 83% | 0.831 | S | S | * | * | 0 | 98.8 | 0 | -70.3 | 164.4 | 78.3 | 0 | 0 | 109.3 | |||||
| 2 | K | 29.4 | Very low | 36 | Very low | 208 Ų | 208 | 150.5 Ų | 150.5 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | trans | -152.4 | 102.7 | 159.6 | -91.8 | -178 | -175.2 | 176.2 | 0 | 106.4 | ||||
| 3 | L | 34.1 | Very low | 35.9 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 122.2 | 174 | -84 | 137.2 | 0 | 0 | 0 | 108.3 | ||
| 4 | L | 35.4 | Very low | 35.9 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 128 | 164.2 | -118.9 | 86.3 | 0 | 0 | 0 | 107.7 | ||
| 5 | P | 42.1 | Very low | 35.9 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 127.8 | 174.9 | 32.3 | -28.5 | 0 | 0 | 0 | 110.1 | L7 | P5-L7 PolarHBondContact O-N 2.95Š|
| 6 | L | 35.2 | Very low | 36 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -72.6 | 110.4 | 170.8 | -154.3 | 91 | 0 | 0 | 0 | 108.3 | V8 | L6-V8 HydrophobicContact CD2-CG2 4.07Å; L6-V8 PolarHBondContact O-N 3.28Å | ||
| 7 | L | 32.8 | Very low | 36.1 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -81 | 97.3 | 173.8 | -112.1 | 153.2 | 0 | 0 | 0 | 108.8 | P5 V9 | P5-L7 PolarHBondContact O-N 2.95Å; L7-V9 PolarHBondContact O-N 3.41Å | ||
| 8 | V | 37.3 | Very low | 36.3 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 64% | 0.642 | 80% | 0.797 | S | S | * | * | trans | -81 | 108.3 | 169.1 | 176.8 | 0 | 0 | 0 | 0 | 107.9 | L6 V10 | L6-V8 HydrophobicContact CD2-CG2 4.07Å; L6-V8 PolarHBondContact O-N 3.28Å; V8-V10 HydrophobicContact CG1-CG2 4.19Å; V8-V10 PolarHBondContact O-N 3.3Å | ||
| 9 | V | 36.2 | Very low | 36.9 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -78 | 102.7 | 169.3 | 177.4 | 0 | 0 | 0 | 0 | 107.7 | L7 A11 | L7-V9 PolarHBondContact O-N 3.41Å; V9-A11 PolarHBondContact O-N 2.84Å | ||
| 10 | V | 34.8 | Very low | 37.5 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | trans | -76.8 | 102.5 | 167.6 | 178.2 | 0 | 0 | 0 | 0 | 107.4 | V8 L12 | V8-V10 HydrophobicContact CG1-CG2 4.19Å; V8-V10 PolarHBondContact O-N 3.3Å; V10-L12 HydrophobicContact CG1-CD1 4.06Å; V10-L12 PolarHBondContact O-N 2.83Å | ||
| 11 | A | 36 | Very low | 38.8 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -70.7 | 95.9 | 168 | 0 | 0 | 0 | 0 | 0 | 108.7 | V9 G13 | V9-A11 PolarHBondContact O-N 2.84Å; A11-G13 PolarHBondContact O-N 3.4Å | ||
| 12 | L | 36.5 | Very low | 40.5 | Very low | 145 Ų | 145 | 117.9 Ų | 117.9 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | trans | -67.5 | 98.8 | 166.3 | -123.9 | 84.7 | 0 | 0 | 0 | 107.6 | V10 L14 | V10-L12 HydrophobicContact CG1-CD1 4.06Å; V10-L12 PolarHBondContact O-N 2.83Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 3.28Å | ||
| 13 | G | 34.9 | Very low | 43.3 | Very low | 73 Ų | 73 | 109.8 Ų | 109.8 | 75% | 0.753 | 68% | 0.676 | S | S | * | * | trans | -64.1 | 92.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109 | A11 A15 | A11-G13 PolarHBondContact O-N 3.4Å; G13-A15 PolarHBondContact O-N 2.91Å | ||
| 14 | L | 35.1 | Very low | 45.9 | Very low | 152 Ų | 152 | 107.1 Ų | 107.1 | 80% | 0.796 | 66% | 0.659 | S | S | * | * | trans | -63.1 | 84.9 | 158.5 | -84.9 | 152.8 | 0 | 0 | 0 | 106.7 | L12 T16 | L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 3.28Å; L14-T16 PolarHBondContact O-N 3.47Å | ||
| 15 | A | 35.8 | Very low | 48.6 | Very low | 85 Ų | 85 | 101.5 Ų | 101.5 | 70% | 0.702 | 63% | 0.631 | S | S | * | * | trans | -58.9 | 95.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 105.1 | G13 V17 | G13-A15 PolarHBondContact O-N 2.91Å; A15-V17 PolarHBondContact O-N 3.03Å | ||
| 16 | T | 37.8 | Very low | 51.1 | Low | 116 Ų | 116 | 96.4 Ų | 96.4 | 71% | 0.712 | 60% | 0.598 | S | S | * | * | trans | -56.2 | 97.2 | 160.1 | 46.9 | 0 | 0 | 0 | 0 | 104.9 | L14 V18 | L14-T16 PolarHBondContact O-N 3.47Å; T16-V18 PolarHBondContact O-N 2.8Å | ||
| 17 | V | 38.1 | Very low | 54 | Low | 119 Ų | 119 | 93.2 Ų | 93.2 | 72% | 0.721 | 58% | 0.579 | S | S | * | * | trans | -54.3 | 102.1 | 158.1 | 179 | 0 | 0 | 0 | 0 | 102.8 | A15 V19 | A15-V17 PolarHBondContact O-N 3.03Å; V17-V19 PolarHBondContact O-N 3.22Å | ||
| 18 | V | 39.7 | Very low | 57 | Low | 126 Ų | 126 | 85.7 Ų | 85.7 | 76% | 0.764 | 54% | 0.54 | S | S | * | . | trans | -61.2 | 93.6 | 167 | 179.4 | 0 | 0 | 0 | 0 | 102.8 | T16 S20 | T16-V18 PolarHBondContact O-N 2.8Å; V18-S20 VanDerWaalsContact C-N 3.25Å; V18-S20 PolarHBondContact O-N 3.1Å | ||
| 19 | V | 48.3 | Very low | 59.8 | Low | 119 Ų | 119 | 87.3 Ų | 87.3 | 72% | 0.721 | 53% | 0.534 | S | S | * | . | trans | -57.6 | 103.8 | 169 | 175.5 | 0 | 0 | 0 | 0 | 102.8 | V17 A21 | V17-V19 PolarHBondContact O-N 3.22Å; V19-A21 VanDerWaalsContact C-N 3.3Å; V19-A21 PolarHBondContact O-N 3.41Å | ||
| 20 | S | 47.9 | Very low | 62.6 | Low | 36 Ų | 36 | 82.2 Ų | 82.2 | 25% | 0.252 | 50% | 0.502 | S | S | . | . | trans | -51.2 | 103.4 | 176.6 | -179.1 | 0 | 0 | 0 | 0 | 105.9 | V18 G22 Y83 A85 | V18-S20 VanDerWaalsContact C-N 3.25Å; V18-S20 PolarHBondContact O-N 3.1Å; S20-G22 PolarHBondContact O-N 3.42Å; S20-Y83 PolarHBondContact OG-O 3.03Å; S20-A85 PolarHBondContact OG-N 3.46Å | ||
| 21 | A | 65.3 | Low | 65.4 | Low | 75 Ų | 75 | 77.7 Ų | 77.7 | 62% | 0.62 | 48% | 0.475 | S | S | * | . | trans | -75.6 | 91.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 103 | V19 | V19-A21 VanDerWaalsContact C-N 3.3Å; V19-A21 PolarHBondContact O-N 3.41Å | ||
| 22 | G | 78.1 | Confident | 67.9 | Low | 11 Ų | 11 | 76.4 Ų | 76.4 | 11% | 0.113 | 45% | 0.453 | C | S | . | . | trans | -56.5 | -164.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | S20 Q24 R49 F80 | S20-G22 PolarHBondContact O-N 3.42Å; G22-Q24 PolarHBondContact O-N 2.86Å; G22-R49 PolarHBondContact O-NH2 2.92Å; G22-F80 WeakPolarHBondContact CA-O 3.34Å | ||
| 23 | P | 87.3 | Confident | 69.9 | Low | 37 Ų | 37 | 76.3 Ų | 76.3 | 24% | 0.24 | 45% | 0.453 | C | S | . | . | trans | -56.4 | 144.3 | -177.4 | 22.7 | -32.4 | 0 | 0 | 0 | 112.6 | L48 R49 F80 | P23-L48 HydrophobicContact CG-CD1 4.42Å; P23-R49 PolarHBondContact O-NH2 3.28Å; P23-F80 WeakPolarHBondContact CD-O 3.47Å; P23-F80 HydrophobicContact CG-CB 4.3Å; P23-F80 HydrophobicContact CG-CD1 3.72Å; P23-F80 HydrophobicContact CG-CG 4.42Å | ||
| 24 | Q | 89.4 | Confident | 71.8 | Confident | 123 Ų | 123 | 75.9 Ų | 75.9 | 58% | 0.575 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -88.1 | -35.8 | 172.4 | -67.9 | -174.7 | 2.1 | 0 | 0 | 111.1 | G22 L48 R49 | G22-Q24 PolarHBondContact O-N 2.86Å; Q24-L48 WeakPolarHBondContact O-CB 3.47Å; Q24-L48 PolarHBondContact O-N 3.41Å; Q24-R49 PolarHBondContact O-N 2.99Å |
| 25 | T | 92.3 | Very high | 73.1 | Confident | 45 Ų | 45 | 71.1 Ų | 71.1 | 28% | 0.276 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 158.1 | 176 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | T45 L46 L47 | T25-T45 HydrophobicContact CG2-CG2 4.19Å; T25-L46 CarbonylContact C-O 3.43Å; T25-L46 VanDerWaalsContact CA-O 3.23Å; T25-L46 WeakPolarHBondContact CA-O 3.49Å; T25-L47 HydrophobicContact CG2-CD1 3.57Å |
| 26 | I | 94.1 | Very high | 74.6 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 5% | 0.046 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.9 | 169.9 | -56.1 | 165.6 | 0 | 0 | 0 | 107.9 | T45 L46 L48 F80 C92 | I26-T45 WeakPolarHBondContact O-CA 3.27Å; I26-T45 WeakPolarHBondContact O-CG2 3.45Å; I26-L46 HydrophobicContact CB-CB 4.43Å; I26-L46 PolarHBondContact N-O 2.85Å; I26-L46 PolarHBondContact O-N 3.21Å; I26-L48 HydrophobicContact CD1-CD1 3.8Å; I26-L48 HydrophobicContact CD1-CD2 3.92Å; I26-L48 HydrophobicContact CD1-CG 4.19Å; I26-L48 HydrophobicContact CG1-CD1 3.87Å; I26-L48 HydrophobicContact CG1-CD2 4.47Å; I26-L48 HydrophobicContact CG1-CG 4.28Å; I26-F80 HydrophobicContact CD1-CD1 3.71Å; I26-F80 HydrophobicContact CD1-CD2 3.87Å; I26-F80 HydrophobicContact CD1-CE1 3.17Å; I26-F80 HydrophobicContact CD1-CE2 3.39Å; I26-F80 HydrophobicContact CD1-CG 4.05Å; I26-F80 HydrophobicContact CD1-CZ 3.03Å; I26-F80 HydrophobicContact CG1-CD1 4.27Å; I26-F80 HydrophobicContact CG1-CE1 3.94Å; I26-F80 HydrophobicContact CG1-CZ 4.24Å; I26-C92 HydrophobicContact CG2-CB 3.68Å |
| 27 | E | 95.3 | Very high | 76.2 | Confident | 93 Ų | 93 | 70.2 Ų | 70.2 | 44% | 0.435 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.4 | 170.2 | -55.5 | -55.2 | 136.3 | 0 | 0 | 109.6 | T45 R58 C92 | E27-T45 PolarHBondContact OE2-OG1 3.46Å; E27-R58 IonicContact OE1-CZ 2.62Å; E27-R58 IonicContact OE1-NH1 3.3Å; E27-R58 PolarHBondContact OE1-NH1 2.93Å; E27-R58 IonicContact OE1-NH2 3.46Å; E27-R58 IonicContact OE2-CZ 3.89Å; E27-R58 IonicContact OE2-NH1 2.64Å; E27-R58 PolarHBondContact OE2-NH1 2.93Å; E27-R58 IonicContact OE2-NH2 3.75Å; E27-R58 PolarHBondContact OE2-NH2 3.5Å; E27-C92 WeakPolarHBondContact O-CB 3.33Å |
| 28 | C | 96.3 | Very high | 78 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.02 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 155 | -176.6 | -59.4 | 0 | 0 | 0 | 0 | 110.2 | A44 C92 M94 | C28-A44 HydrophobicContact CB-CB 4.42Å; C28-A44 PolarHBondContact N-O 3.37Å; C28-A44 PolarHBondContact O-N 2.9Å; C28-C92 WeakPolarHBondContact CA-O 3.47Å; C28-C92 HydrophobicContact CB-CB 3.74Å; C28-C92 WeakPolarHBondContact CB-SG 3.49Å; C28-C92 WeakPolarHBondContact SG-CB 3.48Å; C28-C92 CovalentContact SG-SG 2.03Å; C28-C92 PolarHBondContact SG-SG 3.27Å; C28-M94 HydrophobicContact CB-CE 4.18Å |
| 29 | W | 96 | Very high | 80.1 | Confident | 140 Ų | 140 | 65.3 Ų | 65.3 | 53% | 0.53 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 116.8 | 168.9 | -67.3 | 100.4 | 0 | 0 | 0 | 109.4 | K41 P43 C92 E93 M94 | W29-K41 HydrophobicContact CE3-CB 4.01Å; W29-P43 HydrophobicContact CZ3-CB 4.43Å; W29-C92 PolarHBondContact N-O 3.4Å; W29-E93 CarbonylContact O-C 3.49Å; W29-E93 WeakPolarHBondContact O-CA 3.37Å; W29-M94 PolarHBondContact O-N 2.97Å |
| 30 | F | 95.5 | Very high | 82 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 7% | 0.07 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 121.6 | 169.5 | -173.6 | -111.7 | 0 | 0 | 0 | 109.6 | E32 K41 K42 A44 L65 M94 L125 | F30-E32 HydrophobicContact CD1-CG 3.91Å; F30-E32 HydrophobicContact CE1-CG 3.36Å; F30-E32 WeakPolarHBondContact CE1-OE1 3.36Å; F30-E32 HydrophobicContact CZ-CG 3.93Å; F30-K41 CarbonylContact O-C 3.56Å; F30-K41 WeakPolarHBondContact O-CA 3.48Å; F30-K42 HydrophobicContact CB-CB 4.41Å; F30-K42 PolarHBondContact N-O 2.88Å; F30-K42 PolarHBondContact O-N 3.29Å; F30-A44 HydrophobicContact CB-CB 4.08Å; F30-L65 HydrophobicContact CB-CD2 4.12Å; F30-L65 HydrophobicContact CD1-CD2 3.85Å; F30-L65 HydrophobicContact CD2-CD2 4.34Å; F30-L65 HydrophobicContact CE1-CD2 4.31Å; F30-L65 HydrophobicContact CG-CD2 3.85Å; F30-M94 CarbonylContact C-O 3.58Å; F30-M94 VanDerWaalsContact CA-O 3.31Å; F30-M94 WeakPolarHBondContact CA-O 3.39Å; F30-M94 HydrophobicContact CD2-CB 4.04Å; F30-M94 HydrophobicContact CD2-CG 3.83Å; F30-M94 HydrophobicContact CD2-SD 3.96Å; F30-M94 HydrophobicContact CE2-CG 4.37Å; F30-L125 HydrophobicContact CE2-CD2 3.72Å; F30-L125 HydrophobicContact CZ-CD2 4.44Å |
| 31 | V | 94.1 | Very high | 84.1 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 10% | 0.097 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.8 | -170.4 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | L39 S40 K41 E93 M94 | V31-L39 HydrophobicContact CG1-CD2 3.27Å; V31-L39 HydrophobicContact CG1-CG 3.61Å; V31-S40 WeakPolarHBondContact CA-O 3.35Å; V31-K41 HydrophobicContact CG2-CG 4.32Å; V31-E93 HydrophobicContact CB-CG 4.43Å; V31-E93 HydrophobicContact CG2-CG 3.56Å; V31-M94 PolarHBondContact N-O 3.28Å |
| 32 | E | 88.4 | Confident | 85.5 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 146 | 176.7 | -63.7 | 179.3 | 115.9 | 0 | 0 | 110.6 | F30 A34 S40 K42 | F30-E32 HydrophobicContact CD1-CG 3.91Å; F30-E32 HydrophobicContact CE1-CG 3.36Å; F30-E32 WeakPolarHBondContact CE1-OE1 3.36Å; F30-E32 HydrophobicContact CZ-CG 3.93Å; E32-A34 PolarHBondContact O-N 3.43Å; E32-S40 PolarHBondContact N-O 3.28Å; E32-S40 VanDerWaalsContact N-O 3.11Å; E32-S40 PolarHBondContact O-N 3.29Å; E32-S40 PolarHBondContact O-OG 3.45Å; E32-K42 IonicContact OE2-NZ 3.02Å; E32-K42 PolarHBondContact OE2-NZ 2.84Å |
| 33 | D | 78.9 | Confident | 86.3 | Confident | 142 Ų | 142 | 68.9 Ų | 68.9 | 76% | 0.759 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 118.3 | 170.4 | -78.9 | -28.6 | 0 | 0 | 0 | 109.8 | G35 | D33-G35 PolarHBondContact O-N 2.89Å |
| 34 | A | 73.5 | Confident | 86.7 | Confident | 64 Ų | 64 | 67.1 Ų | 67.1 | 53% | 0.529 | 41% | 0.409 | S | S | . | . | trans | -81 | 2.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E32 G38 | E32-A34 PolarHBondContact O-N 3.43Å; A34-G38 WeakPolarHBondContact CB-O 3.38Å; A34-G38 PolarHBondContact N-O 2.98Å | ||
| 35 | G | 63.1 | Low | 87 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 54% | 0.536 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 72.7 | 161.3 | -164.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D33 G37 G38 | D33-G35 PolarHBondContact O-N 2.89Å; G35-G37 PolarHBondContact O-N 3.48Å; G35-G38 PolarHBondContact O-N 2.88Å |
| 36 | G | 67.4 | Low | 87.1 | Confident | 96 Ų | 96 | 59.2 Ų | 59.2 | 99% | 0.99 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 16.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 37 | G | 71.3 | Confident | 87.2 | Confident | 86 Ų | 86 | 58.9 Ų | 58.9 | 89% | 0.887 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 7.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G35 | G35-G37 PolarHBondContact O-N 3.48Š|
| 38 | G | 74.9 | Confident | 87.1 | Confident | 33 Ų | 33 | 55 Ų | 55 | 34% | 0.34 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 145.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A34 G35 | A34-G38 WeakPolarHBondContact CB-O 3.38Å; A34-G38 PolarHBondContact N-O 2.98Å; G35-G38 PolarHBondContact O-N 2.88Å |
| 39 | L | 85 | Confident | 86.8 | Confident | 109 Ų | 109 | 57.8 Ų | 57.8 | 57% | 0.571 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 130 | 170.7 | -119.1 | 76.6 | 0 | 0 | 0 | 109.5 | V31 | V31-L39 HydrophobicContact CG1-CD2 3.27Å; V31-L39 HydrophobicContact CG1-CG 3.61Å |
| 40 | S | 88.9 | Confident | 86.2 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 26% | 0.259 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 143.7 | 169.5 | 68.6 | 0 | 0 | 0 | 0 | 110.5 | V31 E32 | V31-S40 WeakPolarHBondContact CA-O 3.35Å; E32-S40 PolarHBondContact N-O 3.28Å; E32-S40 VanDerWaalsContact N-O 3.11Å; E32-S40 PolarHBondContact O-N 3.29Å; E32-S40 PolarHBondContact O-OG 3.45Å |
| 41 | K | 92 | Very high | 85.4 | Confident | 123 Ų | 123 | 56 Ų | 56 | 54% | 0.535 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 126.6 | 179.2 | -63.2 | -171.2 | 174.2 | -173.6 | 0 | 110 | W29 F30 V31 | W29-K41 HydrophobicContact CE3-CB 4.01Å; F30-K41 CarbonylContact O-C 3.56Å; F30-K41 WeakPolarHBondContact O-CA 3.48Å; V31-K41 HydrophobicContact CG2-CG 4.32Å |
| 42 | K | 93.8 | Very high | 84.5 | Confident | 94 Ų | 94 | 62.2 Ų | 62.2 | 41% | 0.409 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 142.4 | 174.8 | -64.7 | 171.6 | -174.7 | 159.2 | 0 | 109.4 | F30 E32 L65 | F30-K42 HydrophobicContact CB-CB 4.41Å; F30-K42 PolarHBondContact N-O 2.88Å; F30-K42 PolarHBondContact O-N 3.29Å; E32-K42 IonicContact OE2-NZ 3.02Å; E32-K42 PolarHBondContact OE2-NZ 2.84Å; K42-L65 HydrophobicContact CB-CD1 3.84Å; K42-L65 HydrophobicContact CD-CD1 4.22Å |
| 43 | P | 95.1 | Very high | 84 | Confident | 63 Ų | 63 | 70.6 Ų | 70.6 | 41% | 0.409 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 137.2 | 174.9 | 30.9 | -34.9 | 0 | 0 | 0 | 109.9 | W29 L61 | W29-P43 HydrophobicContact CZ3-CB 4.43Å; P43-L61 HydrophobicContact CB-CD2 3.66Å; P43-L61 HydrophobicContact CG-CD2 3.78Å |
| 44 | A | 95.4 | Very high | 84 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 157 | 176 | 0 | 0 | 0 | 0 | 0 | 109.5 | C28 F30 L65 M94 | C28-A44 HydrophobicContact CB-CB 4.42Å; C28-A44 PolarHBondContact N-O 3.37Å; C28-A44 PolarHBondContact O-N 2.9Å; F30-A44 HydrophobicContact CB-CB 4.08Å; A44-L65 CarbonylContact C-O 3.59Å; A44-L65 VanDerWaalsContact CA-O 3.28Å; A44-L65 WeakPolarHBondContact CA-O 3.49Å; A44-L65 HydrophobicContact CB-CB 3.97Å; A44-L65 WeakPolarHBondContact CB-O 3.36Å; A44-M94 HydrophobicContact CB-CE 4.02Å |
| 45 | T | 95.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 133.8 | -179.9 | -56.4 | 0 | 0 | 0 | 0 | 111 | T25 I26 E27 R58 L61 L65 Y66 F67 | T25-T45 HydrophobicContact CG2-CG2 4.19Å; I26-T45 WeakPolarHBondContact O-CA 3.27Å; I26-T45 WeakPolarHBondContact O-CG2 3.45Å; E27-T45 PolarHBondContact OE2-OG1 3.46Å; T45-R58 PolarHBondContact OG1-NH1 2.9Å; T45-L61 WeakPolarHBondContact OG1-CD1 3.44Å; T45-L65 PolarHBondContact N-O 3.33Å; T45-Y66 HydrophobicContact CG2-CD2 4.18Å; T45-Y66 HydrophobicContact CG2-CE2 4.08Å; T45-F67 PolarHBondContact O-N 2.79Å |
| 46 | L | 95.6 | Very high | 85.7 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 117.4 | 168.2 | -61.1 | 178.9 | 0 | 0 | 0 | 109.4 | T25 I26 L48 F67 V69 M94 V127 L140 | T25-L46 CarbonylContact C-O 3.43Å; T25-L46 VanDerWaalsContact CA-O 3.23Å; T25-L46 WeakPolarHBondContact CA-O 3.49Å; I26-L46 HydrophobicContact CB-CB 4.43Å; I26-L46 PolarHBondContact N-O 2.85Å; I26-L46 PolarHBondContact O-N 3.21Å; L46-L48 HydrophobicContact CB-CD2 4.35Å; L46-F67 HydrophobicContact CD2-CB 3.82Å; L46-F67 HydrophobicContact CD2-CD2 4.08Å; L46-F67 HydrophobicContact CD2-CG 4.3Å; L46-V69 HydrophobicContact CB-CG2 4.07Å; L46-V69 HydrophobicContact CD2-CG2 4.22Å; L46-M94 HydrophobicContact CD2-CE 3.74Å; L46-M94 HydrophobicContact CG-CE 4.17Å; L46-V127 HydrophobicContact CD1-CG1 3.72Å; L46-V127 HydrophobicContact CD1-CG2 4.11Å; L46-L140 HydrophobicContact CD2-CD2 4.33Å |
| 47 | L | 94.7 | Very high | 86.6 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 111.3 | 169.4 | 179.6 | 69.9 | 0 | 0 | 0 | 109.3 | T25 R49 H50 P55 Y66 F67 K68 V69 I153 | T25-L47 HydrophobicContact CG2-CD1 3.57Å; L47-R49 WeakPolarHBondContact CD1-O 3.36Å; L47-H50 HydrophobicContact CD1-CB 4.38Å; L47-H50 HydrophobicContact CD2-CB 4.33Å; L47-P55 HydrophobicContact CD2-CB 3.49Å; L47-P55 VanDerWaalsContact CD2-CB 3.49Å; L47-Y66 HydrophobicContact CB-CE2 3.86Å; L47-F67 WeakPolarHBondContact CB-O 3.43Å; L47-F67 PolarHBondContact N-O 3.48Å; L47-K68 HydrophobicContact CD2-CG 4.43Å; L47-V69 WeakPolarHBondContact O-CB 3.35Å; L47-V69 PolarHBondContact O-N 3.45Å; L47-I153 HydrophobicContact CB-CD1 4.28Å; L47-I153 HydrophobicContact CD2-CD1 3.63Å |
| 48 | L | 93.8 | Very high | 87.5 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | trans | -88.4 | -38.9 | -178.2 | -50.9 | 178.8 | 0 | 0 | 0 | 111.8 | P23 Q24 I26 L46 V69 L77 F80 | P23-L48 HydrophobicContact CG-CD1 4.42Å; Q24-L48 WeakPolarHBondContact O-CB 3.47Å; Q24-L48 PolarHBondContact O-N 3.41Å; I26-L48 HydrophobicContact CD1-CD1 3.8Å; I26-L48 HydrophobicContact CD1-CD2 3.92Å; I26-L48 HydrophobicContact CD1-CG 4.19Å; I26-L48 HydrophobicContact CG1-CD1 3.87Å; I26-L48 HydrophobicContact CG1-CD2 4.47Å; I26-L48 HydrophobicContact CG1-CG 4.28Å; L46-L48 HydrophobicContact CB-CD2 4.35Å; L48-V69 HydrophobicContact CD2-CG2 4.16Å; L48-L77 HydrophobicContact CB-CD2 3.8Å; L48-L77 HydrophobicContact CD2-CD2 4.18Å; L48-L77 WeakPolarHBondContact O-CD2 3.47Å; L48-F80 HydrophobicContact CD1-CB 3.45Å; L48-F80 VanDerWaalsContact CD1-CB 3.45Å; L48-F80 HydrophobicContact CD1-CD1 4Å; L48-F80 HydrophobicContact CD1-CD2 3.76Å; L48-F80 HydrophobicContact CD1-CG 3.44Å; L48-F80 VanDerWaalsContact CD1-CG 3.44Å; L48-F80 HydrophobicContact CD2-CD2 4.21Å | ||
| 49 | R | 88.9 | Confident | 88 | Confident | 63 Ų | 63 | 65 Ų | 65 | 24% | 0.238 | 35% | 0.35 | C | S | . | . | trans | -151.7 | 145.5 | -175.7 | -67.2 | 179.6 | -71.3 | 156.8 | 4.5 | 109.4 | G22 P23 Q24 L47 | G22-R49 PolarHBondContact O-NH2 2.92Å; P23-R49 PolarHBondContact O-NH2 3.28Å; Q24-R49 PolarHBondContact O-N 2.99Å; L47-R49 WeakPolarHBondContact CD1-O 3.36Å | ||
| 50 | H | 83.4 | Confident | 88.3 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 37% | 0.366 | 35% | 0.348 | S | S | . | . | trans | -135 | 155.5 | 171 | 62.9 | 77.6 | 0 | 0 | 0 | 110.8 | L47 | L47-H50 HydrophobicContact CD1-CB 4.38Å; L47-H50 HydrophobicContact CD2-CB 4.33Å | ||
| 51 | G | 79.2 | Confident | 88.3 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 40% | 0.402 | 34% | 0.339 | S | S | . | . | trans | -76.5 | -176.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R53 G54 | G51-R53 PolarHBondContact O-N 3.36Å; G51-R53 VanDerWaalsContact O-N 3.09Å; G51-G54 PolarHBondContact O-N 3.39Å | ||
| 52 | P | 75.8 | Confident | 88.1 | Confident | 146 Ų | 146 | 61.9 Ų | 61.9 | 95% | 0.948 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14.7 | 178.3 | 25.5 | -34.3 | 0 | 0 | 0 | 113.7 | G54 | P52-G54 PolarHBondContact O-N 2.95Š|
| 53 | R | 77.3 | Confident | 87.7 | Confident | 242 Ų | 242 | 59.7 Ų | 59.7 | 91% | 0.913 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.5 | 175 | -64.3 | -176.7 | -172.3 | 147.9 | 1.7 | 113.7 | G51 | G51-R53 PolarHBondContact O-N 3.36Å; G51-R53 VanDerWaalsContact O-N 3.09Å |
| 54 | G | 79.5 | Confident | 87.4 | Confident | 18 Ų | 18 | 63 Ų | 63 | 19% | 0.186 | 34% | 0.34 | C | S | . | . | trans | 82.2 | -177.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | G51 P52 | G51-G54 PolarHBondContact O-N 3.39Å; P52-G54 PolarHBondContact O-N 2.95Å | ||
| 55 | P | 84.4 | Confident | 87.2 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 4% | 0.039 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -62.5 | 138.4 | 178.6 | 27 | -36 | 0 | 0 | 0 | 111.8 | L47 E149 P150 I153 | L47-P55 HydrophobicContact CD2-CB 3.49Å; L47-P55 VanDerWaalsContact CD2-CB 3.49Å; P55-E149 WeakPolarHBondContact CG-O 3.37Å; P55-P150 HydrophobicContact CG-CG 4.26Å; P55-I153 HydrophobicContact CB-CD1 4.02Å |
| 56 | P | 87.6 | Confident | 87.1 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 35% | 0.351 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 141.6 | 176.3 | 27.3 | -34.1 | 0 | 0 | 0 | 111.7 | Y66 | P56-Y66 WeakPolarHBondContact CD-OH 3.32Å; P56-Y66 WeakPolarHBondContact O-CE1 3.38Å; P56-Y66 PolarHBondContact O-OH 3.42Å |
| 57 | P | 86.8 | Confident | 87.1 | Confident | 95 Ų | 95 | 64.3 Ų | 64.3 | 62% | 0.617 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 136.7 | 177.4 | 28 | -33.5 | 0 | 0 | 0 | 112.2 | V151 | P57-V151 HydrophobicContact CB-CG1 4.43Å; P57-V151 HydrophobicContact CB-CG2 3.88Å |
| 58 | R | 89.4 | Confident | 87 | Confident | 57 Ų | 57 | 66 Ų | 66 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | trans | -127.6 | 76.4 | 177.7 | -67.4 | -63.5 | -66.2 | -93.4 | -0.9 | 111.1 | E27 T45 D60 L61 Y66 | E27-R58 IonicContact OE1-CZ 2.62Å; E27-R58 IonicContact OE1-NH1 3.3Å; E27-R58 PolarHBondContact OE1-NH1 2.93Å; E27-R58 IonicContact OE1-NH2 3.46Å; E27-R58 IonicContact OE2-CZ 3.89Å; E27-R58 IonicContact OE2-NH1 2.64Å; E27-R58 PolarHBondContact OE2-NH1 2.93Å; E27-R58 IonicContact OE2-NH2 3.75Å; E27-R58 PolarHBondContact OE2-NH2 3.5Å; T45-R58 PolarHBondContact OG1-NH1 2.9Å; R58-D60 VanDerWaalsContact C-OD1 3.31Å; R58-D60 VanDerWaalsContact CA-OD1 3.31Å; R58-D60 WeakPolarHBondContact CA-OD1 3.36Å; R58-D60 IonicContact CZ-OD2 2.76Å; R58-D60 IonicContact NE-OD1 2.77Å; R58-D60 PolarHBondContact NE-OD1 2.96Å; R58-D60 IonicContact NE-OD2 3.79Å; R58-D60 PolarHBondContact NE-OD2 3.3Å; R58-D60 VanDerWaalsContact NE-OD2 3.16Å; R58-D60 IonicContact NH2-OD2 2.95Å; R58-D60 PolarHBondContact NH2-OD2 2.93Å; R58-D60 PolarHBondContact O-N 3.02Å; R58-L61 HydrophobicContact CB-CB 4.33Å; R58-L61 HydrophobicContact CB-CD1 3.93Å; R58-L61 HydrophobicContact CB-CG 4.27Å; R58-L61 HydrophobicContact CG-CD1 4.2Å; R58-L61 PolarHBondContact O-N 2.94Å; R58-Y66 HydrophobicContact CB-CD1 4.35Å; R58-Y66 HydrophobicContact CB-CE1 4.44Å; R58-Y66 HydrophobicContact CG-CD1 4.48Å; R58-Y66 HydrophobicContact CG-CE1 4.19Å; R58-Y66 HydrophobicContact CG-CE2 4.44Å | ||
| 59 | P | 86.5 | Confident | 87.1 | Confident | 127 Ų | 127 | 66 Ų | 66 | 83% | 0.825 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -13.9 | 178.9 | 31.6 | -35.8 | 0 | 0 | 0 | 112.9 | L61 | P59-L61 VanDerWaalsContact C-N 3.27Š|
| 60 | D | 89.6 | Confident | 87.4 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 53% | 0.529 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -14.9 | 174.9 | 57.7 | -57.5 | 0 | 0 | 0 | 113.6 | R58 | R58-D60 VanDerWaalsContact C-OD1 3.31Å; R58-D60 VanDerWaalsContact CA-OD1 3.31Å; R58-D60 WeakPolarHBondContact CA-OD1 3.36Å; R58-D60 IonicContact CZ-OD2 2.76Å; R58-D60 IonicContact NE-OD1 2.77Å; R58-D60 PolarHBondContact NE-OD1 2.96Å; R58-D60 IonicContact NE-OD2 3.79Å; R58-D60 PolarHBondContact NE-OD2 3.3Å; R58-D60 VanDerWaalsContact NE-OD2 3.16Å; R58-D60 IonicContact NH2-OD2 2.95Å; R58-D60 PolarHBondContact NH2-OD2 2.93Å; R58-D60 PolarHBondContact O-N 3.02Å |
| 61 | L | 89.3 | Confident | 88 | Confident | 14 Ų | 14 | 63 Ų | 63 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -114.9 | 150.6 | -174.3 | -63.4 | 175.9 | 0 | 0 | 0 | 112.1 | P43 T45 R58 P59 P63 | P43-L61 HydrophobicContact CB-CD2 3.66Å; P43-L61 HydrophobicContact CG-CD2 3.78Å; T45-L61 WeakPolarHBondContact OG1-CD1 3.44Å; R58-L61 HydrophobicContact CB-CB 4.33Å; R58-L61 HydrophobicContact CB-CD1 3.93Å; R58-L61 HydrophobicContact CB-CG 4.27Å; R58-L61 HydrophobicContact CG-CD1 4.2Å; R58-L61 PolarHBondContact O-N 2.94Å; P59-L61 VanDerWaalsContact C-N 3.27Å; L61-P63 WeakPolarHBondContact O-CD 3.46Å |
| 62 | D | 87.7 | Confident | 88.7 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | trans | -63.1 | 125.6 | 160.6 | -172.8 | -26.4 | 0 | 0 | 0 | 108.2 | K64 L65 Y66 | D62-K64 PolarHBondContact O-N 2.84Å; D62-K64 VanDerWaalsContact O-N 3.07Å; D62-K64 WeakPolarHBondContact OD1-CB 3.04Å; D62-K64 PolarHBondContact OD1-N 3.32Å; D62-L65 HydrophobicContact CB-CB 4.42Å; D62-L65 HydrophobicContact CB-CD1 4.27Å; D62-L65 HydrophobicContact CB-CG 4.27Å; D62-L65 CarbonylContact O-C 3.59Å; D62-L65 WeakPolarHBondContact O-CA 3.48Å; D62-L65 PolarHBondContact O-N 2.84Å; D62-Y66 PolarHBondContact O-N 2.82Å | ||
| 63 | P | 85.9 | Confident | 89.5 | Confident | 49 Ų | 49 | 58.3 Ų | 58.3 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -55.1 | -25.8 | 176.4 | -26.7 | 35 | 0 | 0 | 0 | 114.3 | L61 L65 Y66 F152 T154 | L61-P63 WeakPolarHBondContact O-CD 3.46Å; P63-L65 PolarHBondContact O-N 3.33Å; P63-Y66 PolarHBondContact O-N 3.23Å; P63-F152 HydrophobicContact CB-CB 3.57Å; P63-F152 HydrophobicContact CG-CB 3.83Å; P63-T154 PolarHBondContact O-OG1 3.15Å |
| 64 | K | 88.3 | Confident | 90.3 | Very high | 132 Ų | 132 | 48.1 Ų | 48.1 | 57% | 0.574 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -69.1 | -18 | 173.9 | -67.9 | -176.7 | 174.7 | -171.1 | 0 | 113.5 | D62 F67 P146 | D62-K64 PolarHBondContact O-N 2.84Å; D62-K64 VanDerWaalsContact O-N 3.07Å; D62-K64 WeakPolarHBondContact OD1-CB 3.04Å; D62-K64 PolarHBondContact OD1-N 3.32Å; K64-F67 VanDerWaalsContact O-CE1 3.27Å; K64-F67 WeakPolarHBondContact O-CE1 3.43Å; K64-F67 WeakPolarHBondContact O-CZ 3.39Å; K64-P146 HydrophobicContact CG-CG 3.96Å |
| 65 | L | 92.1 | Very high | 91.1 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -106.6 | 7.2 | 177.3 | -61.9 | 178.7 | 0 | 0 | 0 | 112.4 | F30 K42 A44 T45 D62 P63 F67 | F30-L65 HydrophobicContact CB-CD2 4.12Å; F30-L65 HydrophobicContact CD1-CD2 3.85Å; F30-L65 HydrophobicContact CD2-CD2 4.34Å; F30-L65 HydrophobicContact CE1-CD2 4.31Å; F30-L65 HydrophobicContact CG-CD2 3.85Å; K42-L65 HydrophobicContact CB-CD1 3.84Å; K42-L65 HydrophobicContact CD-CD1 4.22Å; A44-L65 CarbonylContact C-O 3.59Å; A44-L65 VanDerWaalsContact CA-O 3.28Å; A44-L65 WeakPolarHBondContact CA-O 3.49Å; A44-L65 HydrophobicContact CB-CB 3.97Å; A44-L65 WeakPolarHBondContact CB-O 3.36Å; T45-L65 PolarHBondContact N-O 3.33Å; D62-L65 HydrophobicContact CB-CB 4.42Å; D62-L65 HydrophobicContact CB-CD1 4.27Å; D62-L65 HydrophobicContact CB-CG 4.27Å; D62-L65 CarbonylContact O-C 3.59Å; D62-L65 WeakPolarHBondContact O-CA 3.48Å; D62-L65 PolarHBondContact O-N 2.84Å; P63-L65 PolarHBondContact O-N 3.33Å; L65-F67 HydrophobicContact CD2-CE2 4.47Å |
| 66 | Y | 93.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 107.6 | 170.5 | -174.7 | -152.8 | 0 | 0 | 0 | 109.5 | T45 L47 P56 R58 D62 P63 I153 T154 | T45-Y66 HydrophobicContact CG2-CD2 4.18Å; T45-Y66 HydrophobicContact CG2-CE2 4.08Å; L47-Y66 HydrophobicContact CB-CE2 3.86Å; P56-Y66 WeakPolarHBondContact CD-OH 3.32Å; P56-Y66 WeakPolarHBondContact O-CE1 3.38Å; P56-Y66 PolarHBondContact O-OH 3.42Å; R58-Y66 HydrophobicContact CB-CD1 4.35Å; R58-Y66 HydrophobicContact CB-CE1 4.44Å; R58-Y66 HydrophobicContact CG-CD1 4.48Å; R58-Y66 HydrophobicContact CG-CE1 4.19Å; R58-Y66 HydrophobicContact CG-CE2 4.44Å; D62-Y66 PolarHBondContact O-N 2.82Å; P63-Y66 PolarHBondContact O-N 3.23Å; Y66-I153 HydrophobicContact CD1-CB 4.06Å; Y66-I153 HydrophobicContact CD1-CD1 3.82Å; Y66-I153 HydrophobicContact CD1-CG1 3.74Å; Y66-I153 HydrophobicContact CD2-CD1 4.19Å; Y66-I153 HydrophobicContact CD2-CG1 4.38Å; Y66-I153 HydrophobicContact CE1-CB 4.34Å; Y66-I153 HydrophobicContact CE1-CD1 3.53Å; Y66-I153 HydrophobicContact CE1-CG1 3.99Å; Y66-I153 HydrophobicContact CE2-CD1 3.92Å; Y66-I153 HydrophobicContact CG-CD1 4.14Å; Y66-I153 HydrophobicContact CG-CG1 3.95Å; Y66-I153 VanDerWaalsContact O-CG1 3.27Å; Y66-I153 WeakPolarHBondContact O-CG1 3.5Å; Y66-T154 PolarHBondContact O-N 3.22Å |
| 67 | F | 94.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.9 | -171.2 | -58.5 | -81.3 | 0 | 0 | 0 | 112.8 | T45 L46 L47 K64 L65 M94 L125 P142 T154 A156 | T45-F67 PolarHBondContact O-N 2.79Å; L46-F67 HydrophobicContact CD2-CB 3.82Å; L46-F67 HydrophobicContact CD2-CD2 4.08Å; L46-F67 HydrophobicContact CD2-CG 4.3Å; L47-F67 WeakPolarHBondContact CB-O 3.43Å; L47-F67 PolarHBondContact N-O 3.48Å; K64-F67 VanDerWaalsContact O-CE1 3.27Å; K64-F67 WeakPolarHBondContact O-CE1 3.43Å; K64-F67 WeakPolarHBondContact O-CZ 3.39Å; L65-F67 HydrophobicContact CD2-CE2 4.47Å; F67-M94 HydrophobicContact CD2-CE 3.85Å; F67-M94 HydrophobicContact CD2-SD 4.06Å; F67-M94 HydrophobicContact CE2-CE 3.82Å; F67-M94 HydrophobicContact CE2-SD 3.46Å; F67-M94 WeakPolarHBondContact CE2-SD 3.31Å; F67-M94 HydrophobicContact CZ-SD 4.15Å; F67-L125 HydrophobicContact CD1-CD1 4.36Å; F67-L125 HydrophobicContact CE1-CD1 3.61Å; F67-L125 HydrophobicContact CE2-CD1 4.13Å; F67-L125 HydrophobicContact CZ-CD1 3.47Å; F67-L125 VanDerWaalsContact CZ-CD1 3.47Å; F67-P142 HydrophobicContact CD1-CB 4.42Å; F67-P142 HydrophobicContact CE1-CB 3.95Å; F67-T154 CarbonylContact C-O 3.54Å; F67-T154 WeakPolarHBondContact CA-O 3.42Å; F67-T154 HydrophobicContact CD1-CG2 3.87Å; F67-T154 HydrophobicContact CE1-CG2 3.89Å; F67-A156 HydrophobicContact CB-CB 4.2Å; F67-A156 HydrophobicContact CD1-CB 3.95Å; F67-A156 HydrophobicContact CG-CB 4.41Å |
| 68 | K | 94.1 | Very high | 92.5 | Very high | 37 Ų | 37 | 43.7 Ų | 43.7 | 16% | 0.161 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 115.1 | 165.2 | -178.9 | 167.1 | 158.6 | -160.9 | 0 | 108.6 | L47 D70 E149 I153 T154 M155 A156 | L47-K68 HydrophobicContact CD2-CG 4.43Å; K68-D70 PolarHBondContact O-N 2.96Å; K68-E149 IonicContact NZ-OE2 2.98Å; K68-E149 PolarHBondContact NZ-OE2 2.85Å; K68-I153 HydrophobicContact CB-CD1 3.65Å; K68-I153 HydrophobicContact CB-CG1 3.99Å; K68-T154 PolarHBondContact N-O 2.92Å; K68-M155 HydrophobicContact CB-SD 3.54Å; K68-M155 VanDerWaalsContact CB-SD 3.54Å; K68-M155 HydrophobicContact CD-CE 4.32Å; K68-M155 HydrophobicContact CD-SD 3.37Å; K68-M155 WeakPolarHBondContact CD-SD 3.49Å; K68-M155 HydrophobicContact CG-CE 4.15Å; K68-M155 HydrophobicContact CG-SD 3.47Å; K68-M155 WeakPolarHBondContact CG-SD 3.38Å; K68-A156 PolarHBondContact O-N 2.89Å |
| 69 | V | 95.6 | Very high | 92.7 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 7% | 0.073 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 120.4 | -175.8 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | L46 L47 L48 D71 L76 L77 V158 | L46-V69 HydrophobicContact CB-CG2 4.07Å; L46-V69 HydrophobicContact CD2-CG2 4.22Å; L47-V69 WeakPolarHBondContact O-CB 3.35Å; L47-V69 PolarHBondContact O-N 3.45Å; L48-V69 HydrophobicContact CD2-CG2 4.16Å; V69-D71 HydrophobicContact CG1-CB 4.22Å; V69-L76 HydrophobicContact CG1-CD2 3.69Å; V69-L77 HydrophobicContact CG1-CD2 4.11Å; V69-L77 HydrophobicContact CG1-CG 4.49Å; V69-V158 HydrophobicContact CG1-CG2 3.82Å |
| 70 | D | 94.6 | Very high | 93.1 | Very high | 66 Ų | 66 | 35.3 Ų | 35.3 | 35% | 0.353 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 115.9 | 164.9 | 173.4 | 42.9 | 0 | 0 | 0 | 108.1 | K68 P72 M155 A156 T157 V158 | K68-D70 PolarHBondContact O-N 2.96Å; D70-P72 WeakPolarHBondContact O-CD 3.5Å; D70-M155 HydrophobicContact CB-CE 4.04Å; D70-A156 PolarHBondContact N-O 3.17Å; D70-T157 CarbonylContact O-C 3.55Å; D70-T157 VanDerWaalsContact O-CA 3.3Å; D70-T157 WeakPolarHBondContact O-CA 3.43Å; D70-T157 WeakPolarHBondContact OD2-CG2 3.48Å; D70-T157 PolarHBondContact OD2-OG1 3.03Å; D70-V158 WeakPolarHBondContact O-CG2 3.29Å; D70-V158 PolarHBondContact O-N 2.96Å |
| 71 | D | 95.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | trans | -124 | 84.5 | -173.6 | 177.1 | 17.9 | 0 | 0 | 0 | 109.9 | V69 A73 G74 M75 L76 L77 V158 | V69-D71 HydrophobicContact CG1-CB 4.22Å; D71-A73 VanDerWaalsContact C-N 3.28Å; D71-A73 PolarHBondContact O-N 3.36Å; D71-G74 VanDerWaalsContact CG-CA 3.43Å; D71-G74 VanDerWaalsContact CG-N 3.29Å; D71-G74 WeakPolarHBondContact O-CA 3.26Å; D71-G74 PolarHBondContact O-N 3.49Å; D71-G74 PolarHBondContact OD1-N 2.86Å; D71-G74 WeakPolarHBondContact OD2-CA 3.33Å; D71-G74 PolarHBondContact OD2-N 3.38Å; D71-M75 PolarHBondContact OD2-N 3.39Å; D71-L76 WeakPolarHBondContact OD2-CA 3.41Å; D71-L76 WeakPolarHBondContact OD2-CB 3.2Å; D71-L76 PolarHBondContact OD2-N 2.79Å; D71-L77 HydrophobicContact CB-CD1 3.76Å; D71-L77 HydrophobicContact CB-CG 3.69Å; D71-L77 PolarHBondContact OD2-N 2.95Å; D71-V158 HydrophobicContact CB-CB 4.32Å; D71-V158 HydrophobicContact CB-CG2 3.97Å | ||
| 72 | P | 94.3 | Very high | 93.3 | Very high | 63 Ų | 63 | 45.3 Ų | 45.3 | 41% | 0.409 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -39.3 | -176.5 | -24.8 | 33.9 | 0 | 0 | 0 | 112.5 | D70 G74 T157 A186 | D70-P72 WeakPolarHBondContact O-CD 3.5Å; P72-G74 VanDerWaalsContact C-N 3.28Å; P72-G74 PolarHBondContact O-N 3.43Å; P72-T157 HydrophobicContact CG-CG2 3.92Å; P72-A186 HydrophobicContact CB-CB 3.98Å; P72-A186 HydrophobicContact CG-CB 4.23Å |
| 73 | A | 93.1 | Very high | 93.4 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -17.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D71 M75 A184 P251 | D71-A73 VanDerWaalsContact C-N 3.28Å; D71-A73 PolarHBondContact O-N 3.36Å; A73-M75 PolarHBondContact O-N 3.36Å; A73-M75 VanDerWaalsContact O-N 3.12Å; A73-A184 HydrophobicContact CB-CB 3.67Å; A73-P251 HydrophobicContact CB-CB 3.8Å; A73-P251 HydrophobicContact CB-CG 4.34Å |
| 74 | G | 94.9 | Very high | 93.6 | Very high | 28 Ų | 28 | 42.2 Ų | 42.2 | 29% | 0.289 | 21% | 0.214 | S | C | . | . | trans | 72.6 | -2.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | D71 P72 A78 | D71-G74 VanDerWaalsContact CG-CA 3.43Å; D71-G74 VanDerWaalsContact CG-N 3.29Å; D71-G74 WeakPolarHBondContact O-CA 3.26Å; D71-G74 PolarHBondContact O-N 3.49Å; D71-G74 PolarHBondContact OD1-N 2.86Å; D71-G74 WeakPolarHBondContact OD2-CA 3.33Å; D71-G74 PolarHBondContact OD2-N 3.38Å; P72-G74 VanDerWaalsContact C-N 3.28Å; P72-G74 PolarHBondContact O-N 3.43Å; G74-A78 WeakPolarHBondContact O-CB 3.47Å; G74-A78 PolarHBondContact O-N 3.02Å | ||
| 75 | M | 95.8 | Very high | 93.5 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.1 | -42.5 | -174 | -177.9 | 171.8 | -78.3 | 0 | 0 | 112.3 | D71 A73 A79 T161 L163 R182 F183 A184 T253 | D71-M75 PolarHBondContact OD2-N 3.39Å; A73-M75 PolarHBondContact O-N 3.36Å; A73-M75 VanDerWaalsContact O-N 3.12Å; M75-A79 PolarHBondContact O-N 2.95Å; M75-T161 HydrophobicContact CB-CG2 4.18Å; M75-T161 HydrophobicContact CG-CG2 3.8Å; M75-T161 HydrophobicContact SD-CG2 3.92Å; M75-L163 HydrophobicContact CG-CB 4.49Å; M75-L163 HydrophobicContact CG-CD2 4.09Å; M75-L163 HydrophobicContact SD-CB 4.07Å; M75-L163 HydrophobicContact SD-CD2 4.49Å; M75-R182 HydrophobicContact CE-CB 3.86Å; M75-R182 HydrophobicContact SD-CB 4.39Å; M75-F183 VanDerWaalsContact CE-C 3.46Å; M75-F183 WeakPolarHBondContact CE-O 3.41Å; M75-F183 VanDerWaalsContact SD-C 3.59Å; M75-A184 HydrophobicContact CB-CB 3.8Å; M75-A184 HydrophobicContact CE-CB 3.84Å; M75-A184 HydrophobicContact CG-CB 4.47Å; M75-A184 HydrophobicContact SD-CB 3.9Å; M75-T253 HydrophobicContact CE-CG2 4.46Å |
| 76 | L | 96.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -51.7 | 178.9 | 178.1 | 70.6 | 0 | 0 | 0 | 110.1 | V69 D71 A78 A79 F80 L136 V158 | V69-L76 HydrophobicContact CG1-CD2 3.69Å; D71-L76 WeakPolarHBondContact OD2-CA 3.41Å; D71-L76 WeakPolarHBondContact OD2-CB 3.2Å; D71-L76 PolarHBondContact OD2-N 2.79Å; L76-A78 VanDerWaalsContact C-N 3.34Å; L76-A78 PolarHBondContact O-N 2.91Å; L76-A79 PolarHBondContact O-N 3Å; L76-F80 HydrophobicContact CD1-CD2 4.26Å; L76-F80 HydrophobicContact CD1-CE2 3.7Å; L76-F80 HydrophobicContact CG-CD2 4.48Å; L76-F80 HydrophobicContact CG-CE2 4.36Å; L76-F80 VanDerWaalsContact O-CD2 3.25Å; L76-F80 WeakPolarHBondContact O-CD2 3.28Å; L76-F80 PolarHBondContact O-N 3.47Å; L76-L136 HydrophobicContact CD1-CD1 3.28Å; L76-L136 HydrophobicContact CD1-CD2 4.11Å; L76-L136 HydrophobicContact CD1-CG 4.35Å; L76-V158 HydrophobicContact CD2-CG2 3.58Å |
| 77 | L | 95.8 | Very high | 92.8 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.9 | -36.9 | -179.8 | -66.5 | -178.6 | 0 | 0 | 0 | 111.9 | L48 V69 D71 F80 R81 | L48-L77 HydrophobicContact CB-CD2 3.8Å; L48-L77 HydrophobicContact CD2-CD2 4.18Å; L48-L77 WeakPolarHBondContact O-CD2 3.47Å; V69-L77 HydrophobicContact CG1-CD2 4.11Å; V69-L77 HydrophobicContact CG1-CG 4.49Å; D71-L77 HydrophobicContact CB-CD1 3.76Å; D71-L77 HydrophobicContact CB-CG 3.69Å; D71-L77 PolarHBondContact OD2-N 2.95Å; L77-F80 PolarHBondContact O-N 2.87Å; L77-R81 WeakPolarHBondContact O-CB 3.42Å; L77-R81 VanDerWaalsContact O-CG 3.24Å; L77-R81 WeakPolarHBondContact O-CG 3.39Å; L77-R81 PolarHBondContact O-N 2.66Å |
| 78 | A | 95.1 | Very high | 92.5 | Very high | 34 Ų | 34 | 52.5 Ų | 52.5 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G74 L76 F80 R81 R82 | G74-A78 WeakPolarHBondContact O-CB 3.47Å; G74-A78 PolarHBondContact O-N 3.02Å; L76-A78 VanDerWaalsContact C-N 3.34Å; L76-A78 PolarHBondContact O-N 2.91Å; A78-F80 PolarHBondContact O-N 3.24Å; A78-R81 PolarHBondContact O-N 2.87Å; A78-R82 WeakPolarHBondContact O-CG 3.35Å; A78-R82 PolarHBondContact O-N 3.46Å; A78-R82 VanDerWaalsContact O-N 3.13Å |
| 79 | A | 94.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 55 Ų | 55 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.3 | -49.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | M75 L76 R81 R82 Y83 F134 L163 | M75-A79 PolarHBondContact O-N 2.95Å; L76-A79 PolarHBondContact O-N 3Å; A79-R81 PolarHBondContact O-N 3.25Å; A79-R82 PolarHBondContact O-N 3.42Å; A79-Y83 PolarHBondContact O-N 2.88Å; A79-F134 HydrophobicContact CB-CD1 4.34Å; A79-F134 HydrophobicContact CB-CE1 3.92Å; A79-F134 HydrophobicContact CB-CZ 4.21Å; A79-F134 WeakPolarHBondContact O-CE1 3.47Å; A79-L163 HydrophobicContact CB-CD1 4.21Å; A79-L163 HydrophobicContact CB-CD2 4.07Å |
| 80 | F | 94.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.9 | -28.7 | 178.6 | -72.3 | -71.3 | 0 | 0 | 0 | 114.1 | G22 P23 I26 L48 L76 L77 A78 R82 Y83 P90 V129 F134 L136 | G22-F80 WeakPolarHBondContact CA-O 3.34Å; P23-F80 WeakPolarHBondContact CD-O 3.47Å; P23-F80 HydrophobicContact CG-CB 4.3Å; P23-F80 HydrophobicContact CG-CD1 3.72Å; P23-F80 HydrophobicContact CG-CG 4.42Å; I26-F80 HydrophobicContact CD1-CD1 3.71Å; I26-F80 HydrophobicContact CD1-CD2 3.87Å; I26-F80 HydrophobicContact CD1-CE1 3.17Å; I26-F80 HydrophobicContact CD1-CE2 3.39Å; I26-F80 HydrophobicContact CD1-CG 4.05Å; I26-F80 HydrophobicContact CD1-CZ 3.03Å; I26-F80 HydrophobicContact CG1-CD1 4.27Å; I26-F80 HydrophobicContact CG1-CE1 3.94Å; I26-F80 HydrophobicContact CG1-CZ 4.24Å; L48-F80 HydrophobicContact CD1-CB 3.45Å; L48-F80 VanDerWaalsContact CD1-CB 3.45Å; L48-F80 HydrophobicContact CD1-CD1 4Å; L48-F80 HydrophobicContact CD1-CD2 3.76Å; L48-F80 HydrophobicContact CD1-CG 3.44Å; L48-F80 VanDerWaalsContact CD1-CG 3.44Å; L48-F80 HydrophobicContact CD2-CD2 4.21Å; L76-F80 HydrophobicContact CD1-CD2 4.26Å; L76-F80 HydrophobicContact CD1-CE2 3.7Å; L76-F80 HydrophobicContact CG-CD2 4.48Å; L76-F80 HydrophobicContact CG-CE2 4.36Å; L76-F80 VanDerWaalsContact O-CD2 3.25Å; L76-F80 WeakPolarHBondContact O-CD2 3.28Å; L76-F80 PolarHBondContact O-N 3.47Å; L77-F80 PolarHBondContact O-N 2.87Å; A78-F80 PolarHBondContact O-N 3.24Å; F80-R82 VanDerWaalsContact C-N 3.26Å; F80-R82 PolarHBondContact O-N 2.86Å; F80-Y83 VanDerWaalsContact O-CB 3.27Å; F80-Y83 WeakPolarHBondContact O-CB 3.43Å; F80-Y83 PolarHBondContact O-N 3.32Å; F80-P90 HydrophobicContact CE1-CG 4.14Å; F80-V129 HydrophobicContact CZ-CG1 4.07Å; F80-V129 HydrophobicContact CZ-CG2 4.21Å; F80-F134 AromaticContact CD1-CZ 3.75Å; F80-F134 HydrophobicContact CD1-CZ 3.75Å; F80-F134 AromaticContact CE1-CE2 3.94Å; F80-F134 HydrophobicContact CE1-CE2 3.94Å; F80-F134 AromaticContact CE1-CZ 3.45Å; F80-F134 HydrophobicContact CE1-CZ 3.45Å; F80-F134 VanDerWaalsContact CE1-CZ 3.45Å; F80-F134 HydrophobicContact CE2-CZ 4.27Å; F80-F134 HydrophobicContact CG-CZ 4.27Å; F80-F134 AromaticContact CZ-CE2 3.85Å; F80-F134 HydrophobicContact CZ-CE2 3.85Å; F80-F134 AromaticContact CZ-CZ 3.69Å; F80-F134 HydrophobicContact CZ-CZ 3.69Å; F80-L136 HydrophobicContact CE2-CD2 3.74Å; F80-L136 HydrophobicContact CZ-CD2 3.68Å |
| 81 | R | 92.4 | Very high | 92.3 | Very high | 136 Ų | 136 | 58.9 Ų | 58.9 | 51% | 0.513 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.7 | -35 | 171.2 | -77 | 174 | -168.4 | -178.2 | 4.9 | 111.8 | L77 A78 A79 Y83 | L77-R81 WeakPolarHBondContact O-CB 3.42Å; L77-R81 VanDerWaalsContact O-CG 3.24Å; L77-R81 WeakPolarHBondContact O-CG 3.39Å; L77-R81 PolarHBondContact O-N 2.66Å; A78-R81 PolarHBondContact O-N 2.87Å; A79-R81 PolarHBondContact O-N 3.25Å; R81-Y83 VanDerWaalsContact C-N 3.27Å; R81-Y83 PolarHBondContact O-N 2.84Å |
| 82 | R | 90.4 | Very high | 92.3 | Very high | 188 Ų | 188 | 58.6 Ų | 58.6 | 71% | 0.709 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 2.2 | 177.9 | -65.7 | 178.2 | -175.9 | 174.2 | 2.1 | 113.5 | A78 A79 F80 | A78-R82 WeakPolarHBondContact O-CG 3.35Å; A78-R82 PolarHBondContact O-N 3.46Å; A78-R82 VanDerWaalsContact O-N 3.13Å; A79-R82 PolarHBondContact O-N 3.42Å; F80-R82 VanDerWaalsContact C-N 3.26Å; F80-R82 PolarHBondContact O-N 2.86Å |
| 83 | Y | 90.7 | Very high | 92.4 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 4% | 0.035 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 129.8 | 179.8 | -151.4 | -97.7 | 0 | 0 | 0 | 110.7 | S20 A79 F80 R81 A85 A87 H88 P90 V133 F134 | S20-Y83 PolarHBondContact OG-O 3.03Å; A79-Y83 PolarHBondContact O-N 2.88Å; F80-Y83 VanDerWaalsContact O-CB 3.27Å; F80-Y83 WeakPolarHBondContact O-CB 3.43Å; F80-Y83 PolarHBondContact O-N 3.32Å; R81-Y83 VanDerWaalsContact C-N 3.27Å; R81-Y83 PolarHBondContact O-N 2.84Å; Y83-A85 PolarHBondContact O-N 2.96Å; Y83-A87 HydrophobicContact CD1-CB 4.16Å; Y83-A87 HydrophobicContact CE1-CB 3.56Å; Y83-H88 PolarHBondContact OH-O 3Å; Y83-P90 HydrophobicContact CE2-CG 4.37Å; Y83-V133 HydrophobicContact CD2-CB 4.32Å; Y83-V133 HydrophobicContact CD2-CG1 4.2Å; Y83-V133 HydrophobicContact CE2-CB 3.76Å; Y83-V133 HydrophobicContact CE2-CG1 4.16Å; Y83-V133 HydrophobicContact CE2-CG2 3.91Å; Y83-F134 HydrophobicContact CD2-CD1 4.27Å; Y83-F134 AromaticContact CD2-CE1 3.49Å; Y83-F134 HydrophobicContact CD2-CE1 3.49Å; Y83-F134 VanDerWaalsContact CD2-CE1 3.49Å; Y83-F134 AromaticContact CD2-CZ 3.79Å; Y83-F134 HydrophobicContact CD2-CZ 3.79Å; Y83-F134 HydrophobicContact CE2-CD1 4.46Å; Y83-F134 AromaticContact CE2-CE1 3.92Å; Y83-F134 HydrophobicContact CE2-CE1 3.92Å; Y83-F134 AromaticContact CE2-CZ 3.99Å; Y83-F134 HydrophobicContact CE2-CZ 3.99Å |
| 84 | P | 90.6 | Very high | 92.6 | Very high | 63 Ų | 63 | 58.8 Ų | 58.8 | 41% | 0.409 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -62 | 135.8 | 179.8 | -22 | 32 | 0 | 0 | 0 | 112.3 | G86 A87 V133 | P84-G86 PolarHBondContact O-N 3.28Å; P84-A87 HydrophobicContact CB-CB 4.14Å; P84-A87 WeakPolarHBondContact O-CB 3.48Å; P84-A87 PolarHBondContact O-N 3.45Å; P84-V133 HydrophobicContact CG-CG1 4.31Å; P84-V133 HydrophobicContact CG-CG2 4.23Å |
| 85 | A | 86.1 | Confident | 92.6 | Very high | 89 Ų | 89 | 59.2 Ų | 59.2 | 74% | 0.736 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 131.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S20 Y83 A87 | S20-A85 PolarHBondContact OG-N 3.46Å; Y83-A85 PolarHBondContact O-N 2.96Å; A85-A87 VanDerWaalsContact C-N 3.3Å; A85-A87 PolarHBondContact O-N 2.93Å |
| 86 | G | 83.1 | Confident | 92.5 | Very high | 86 Ų | 86 | 61.8 Ų | 61.8 | 89% | 0.887 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 0.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P84 | P84-G86 PolarHBondContact O-N 3.28Š|
| 87 | A | 87.5 | Confident | 92.4 | Very high | 37 Ų | 37 | 62.8 Ų | 62.8 | 31% | 0.306 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 151.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y83 P84 A85 V133 | Y83-A87 HydrophobicContact CD1-CB 4.16Å; Y83-A87 HydrophobicContact CE1-CB 3.56Å; P84-A87 HydrophobicContact CB-CB 4.14Å; P84-A87 WeakPolarHBondContact O-CB 3.48Å; P84-A87 PolarHBondContact O-N 3.45Å; A85-A87 VanDerWaalsContact C-N 3.3Å; A85-A87 PolarHBondContact O-N 2.93Å; A87-V133 HydrophobicContact CB-CG2 4.4Å |
| 88 | H | 89 | Confident | 92.3 | Very high | 166 Ų | 166 | 68.1 Ų | 68.1 | 77% | 0.769 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -58 | 142.7 | 175.9 | -67.3 | -71.6 | 0 | 0 | 0 | 110.9 | Y83 | Y83-H88 PolarHBondContact OH-O 3Š|
| 89 | A | 89.1 | Confident | 92.2 | Very high | 88 Ų | 88 | 67.8 Ų | 67.8 | 73% | 0.727 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 133.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 90 | P | 93.8 | Very high | 91.9 | Very high | 18 Ų | 18 | 74.2 Ų | 74.2 | 12% | 0.117 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -71 | 153.2 | 178 | 31 | -33.8 | 0 | 0 | 0 | 110.4 | F80 Y83 V129 | F80-P90 HydrophobicContact CE1-CG 4.14Å; Y83-P90 HydrophobicContact CE2-CG 4.37Å; P90-V129 HydrophobicContact CB-CG1 3.59Å; P90-V129 HydrophobicContact CG-CG1 3.86Å |
| 91 | H | 95.6 | Very high | 91.7 | Very high | 143 Ų | 143 | 76.2 Ų | 76.2 | 66% | 0.662 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 129.6 | 171.8 | -62.7 | -64.1 | 0 | 0 | 0 | 109.1 | V129 S130 | H91-V129 CarbonylContact O-C 3.46Å; H91-V129 VanDerWaalsContact O-CA 3.23Å; H91-V129 WeakPolarHBondContact O-CA 3.22Å; H91-S130 PolarHBondContact N-O 3.41Å; H91-S130 PolarHBondContact O-N 2.88Å |
| 92 | C | 96.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 70.7 Ų | 70.7 | 5% | 0.047 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.8 | 176.3 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | I26 E27 C28 W29 S128 V129 | I26-C92 HydrophobicContact CG2-CB 3.68Å; E27-C92 WeakPolarHBondContact O-CB 3.33Å; C28-C92 WeakPolarHBondContact CA-O 3.47Å; C28-C92 HydrophobicContact CB-CB 3.74Å; C28-C92 WeakPolarHBondContact CB-SG 3.49Å; C28-C92 WeakPolarHBondContact SG-CB 3.48Å; C28-C92 CovalentContact SG-SG 2.03Å; C28-C92 PolarHBondContact SG-SG 3.27Å; W29-C92 PolarHBondContact N-O 3.4Å; C92-S128 WeakPolarHBondContact CA-O 3.38Å; C92-V129 HydrophobicContact CB-CG2 4.21Å |
| 93 | E | 96.3 | Very high | 91.5 | Very high | 88 Ų | 88 | 67.3 Ų | 67.3 | 41% | 0.411 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.8 | 173.8 | -169.5 | 171.9 | 105.9 | 0 | 0 | 109.2 | W29 V31 V127 S128 | W29-E93 CarbonylContact O-C 3.49Å; W29-E93 WeakPolarHBondContact O-CA 3.37Å; V31-E93 HydrophobicContact CB-CG 4.43Å; V31-E93 HydrophobicContact CG2-CG 3.56Å; E93-V127 WeakPolarHBondContact O-CA 3.14Å; E93-S128 PolarHBondContact N-O 2.8Å; E93-S128 PolarHBondContact O-N 2.75Å |
| 94 | M | 95.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 140 | 179.1 | -170.5 | -173.9 | -47.9 | 0 | 0 | 109.5 | C28 W29 F30 V31 A44 L46 F67 L125 M126 V127 | C28-M94 HydrophobicContact CB-CE 4.18Å; W29-M94 PolarHBondContact O-N 2.97Å; F30-M94 CarbonylContact C-O 3.58Å; F30-M94 VanDerWaalsContact CA-O 3.31Å; F30-M94 WeakPolarHBondContact CA-O 3.39Å; F30-M94 HydrophobicContact CD2-CB 4.04Å; F30-M94 HydrophobicContact CD2-CG 3.83Å; F30-M94 HydrophobicContact CD2-SD 3.96Å; F30-M94 HydrophobicContact CE2-CG 4.37Å; V31-M94 PolarHBondContact N-O 3.28Å; A44-M94 HydrophobicContact CB-CE 4.02Å; L46-M94 HydrophobicContact CD2-CE 3.74Å; L46-M94 HydrophobicContact CG-CE 4.17Å; F67-M94 HydrophobicContact CD2-CE 3.85Å; F67-M94 HydrophobicContact CD2-SD 4.06Å; F67-M94 HydrophobicContact CE2-CE 3.82Å; F67-M94 HydrophobicContact CE2-SD 3.46Å; F67-M94 WeakPolarHBondContact CE2-SD 3.31Å; F67-M94 HydrophobicContact CZ-SD 4.15Å; M94-L125 HydrophobicContact CG-CB 4.46Å; M94-L125 HydrophobicContact CG-CD2 4.46Å; M94-L125 HydrophobicContact SD-CD1 3.99Å; M94-L125 HydrophobicContact SD-CD2 4.39Å; M94-M126 CarbonylContact C-O 3.46Å; M94-M126 VanDerWaalsContact CA-O 3.25Å; M94-M126 WeakPolarHBondContact CA-O 3.13Å; M94-V127 HydrophobicContact CE-CG2 4.26Å; M94-V127 HydrophobicContact CG-CG2 4.01Å |
| 95 | S | 95.3 | Very high | 91.4 | Very high | 36 Ų | 36 | 72.5 Ų | 72.5 | 25% | 0.252 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 159.8 | 178 | 58 | 0 | 0 | 0 | 0 | 110.9 | Y97 L125 M126 | S95-Y97 PolarHBondContact O-N 3.26Å; S95-L125 CarbonylContact O-C 3.48Å; S95-L125 WeakPolarHBondContact O-CA 3.21Å; S95-M126 PolarHBondContact N-O 3.05Å; S95-M126 PolarHBondContact O-N 2.82Å |
| 96 | S | 94.6 | Very high | 91.6 | Very high | 75 Ų | 75 | 69.6 Ų | 69.6 | 52% | 0.524 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 131.3 | 171.9 | -55.9 | 0 | 0 | 0 | 0 | 110 | ||
| 97 | Y | 94.6 | Very high | 92 | Very high | 23 Ų | 23 | 65.6 Ų | 65.6 | 9% | 0.09 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 143.1 | 177.3 | -177.3 | -104.3 | 0 | 0 | 0 | 110.2 | S95 P99 W124 M126 L139 Y279 L280 Q281 | S95-Y97 PolarHBondContact O-N 3.26Å; Y97-P99 HydrophobicContact CD1-CG 4.33Å; Y97-P99 HydrophobicContact CE1-CB 4.43Å; Y97-P99 HydrophobicContact CE1-CG 4.24Å; Y97-W124 HydrophobicContact CD1-CB 3.93Å; Y97-W124 HydrophobicContact CD1-CG 4.39Å; Y97-W124 HydrophobicContact CG-CB 4.42Å; Y97-W124 PolarHBondContact N-O 2.69Å; Y97-W124 WeakPolarHBondContact O-CB 3.22Å; Y97-M126 HydrophobicContact CD2-CB 4.41Å; Y97-M126 HydrophobicContact CD2-CE 3.57Å; Y97-M126 HydrophobicContact CE2-CE 3.75Å; Y97-L139 HydrophobicContact CD1-CD1 4.27Å; Y97-L139 HydrophobicContact CD1-CD2 3.98Å; Y97-L139 HydrophobicContact CD2-CD2 3.89Å; Y97-L139 HydrophobicContact CE1-CD1 3.79Å; Y97-L139 HydrophobicContact CE1-CD2 4.19Å; Y97-L139 HydrophobicContact CE2-CD2 4.1Å; Y97-L139 HydrophobicContact CG-CD2 3.81Å; Y97-Y279 PolarHBondContact OH-O 3.3Å; Y97-L280 HydrophobicContact CE1-CD2 3.92Å; Y97-L280 WeakPolarHBondContact OH-CA 3.25Å; Y97-Q281 HydrophobicContact CE2-CG 4.42Å; Y97-Q281 PolarHBondContact OH-N 2.76Å |
| 98 | I | 93.1 | Very high | 92 | Very high | 136 Ų | 136 | 71.4 Ų | 71.4 | 70% | 0.697 | 38% | 0.379 | S | S | * | . | trans | -120.7 | 113.5 | 175.2 | -59.6 | 174.4 | 0 | 0 | 0 | 107 | F100 | I98-F100 PolarHBondContact O-N 3.05Š| ||
| 99 | P | 92.1 | Very high | 91.9 | Very high | 27 Ų | 27 | 64.3 Ų | 64.3 | 18% | 0.175 | 35% | 0.35 | C | S | . | . | trans | -57.2 | 122.1 | 174.7 | -24.4 | 33.8 | 0 | 0 | 0 | 110.6 | Y97 L120 W124 Y279 L280 | Y97-P99 HydrophobicContact CD1-CG 4.33Å; Y97-P99 HydrophobicContact CE1-CB 4.43Å; Y97-P99 HydrophobicContact CE1-CG 4.24Å; P99-L120 HydrophobicContact CB-CB 4.37Å; P99-L120 HydrophobicContact CB-CD1 4.23Å; P99-L120 HydrophobicContact CG-CB 4.41Å; P99-W124 HydrophobicContact CG-CD2 3.99Å; P99-W124 HydrophobicContact CG-CG 3.88Å; P99-Y279 CarbonylContact C-O 3.58Å; P99-Y279 VanDerWaalsContact CA-O 3.31Å; P99-Y279 WeakPolarHBondContact CA-O 3.39Å; P99-L280 HydrophobicContact CB-CD2 4.25Å; P99-L280 HydrophobicContact CG-CD2 4.38Å | ||
| 100 | F | 90 | Very high | 91.8 | Very high | 141 Ų | 141 | 60.5 Ų | 60.5 | 62% | 0.618 | 32% | 0.318 | S | S | * | . | trans | -149.1 | 142.9 | -175.8 | -169.2 | -98.3 | 0 | 0 | 0 | 110.4 | I98 Y279 | I98-F100 PolarHBondContact O-N 3.05Å; F100-Y279 PolarHBondContact N-O 2.62Å; F100-Y279 CarbonylContact O-C 3.5Å | ||
| 101 | P | 89.6 | Confident | 91.3 | Very high | 44 Ų | 44 | 60.7 Ų | 60.7 | 29% | 0.286 | 32% | 0.32 | S | S | . | . | trans | -57.3 | 145.4 | 177.3 | -24.1 | 34.3 | 0 | 0 | 0 | 112.5 | S103 Y279 | P101-S103 PolarHBondContact O-N 3.02Å; P101-Y279 HydrophobicContact CG-CD1 3.79Å; P101-Y279 HydrophobicContact CG-CE1 3.71Å | ||
| 102 | A | 90.1 | Very high | 90.5 | Very high | 20 Ų | 20 | 59 Ų | 59 | 17% | 0.165 | 32% | 0.321 | C | S | . | . | trans | -55.3 | 129.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A104 A107 | A102-A104 PolarHBondContact O-N 2.98Å; A102-A107 HydrophobicContact CB-CB 3.56Å | ||
| 103 | S | 88.5 | Confident | 89.5 | Confident | 116 Ų | 116 | 64.8 Ų | 64.8 | 81% | 0.811 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -69.5 | -21.3 | -178.3 | 62.3 | 0 | 0 | 0 | 0 | 112.9 | P101 K105 | P101-S103 PolarHBondContact O-N 3.02Å; S103-K105 PolarHBondContact O-N 2.87Å |
| 104 | A | 88.7 | Confident | 88.4 | Confident | 21 Ų | 21 | 70.4 Ų | 70.4 | 17% | 0.174 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -72.6 | 127.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A102 W106 A107 | A102-A104 PolarHBondContact O-N 2.98Å; A104-W106 HydrophobicContact CB-CG 4.43Å; A104-W106 VanDerWaalsContact CB-NE1 3.33Å; A104-W106 PolarHBondContact O-N 3.37Å; A104-W106 VanDerWaalsContact O-N 3.1Å; A104-A107 HydrophobicContact CB-CB 4.44Å; A104-A107 PolarHBondContact O-N 3.07Å |
| 105 | K | 90 | Very high | 87.6 | Confident | 160 Ų | 160 | 75.1 Ų | 75.1 | 70% | 0.696 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -58.7 | -28 | -176.5 | -67.7 | -175 | -177.6 | 179.4 | 0 | 114.5 | S103 A107 R108 | S103-K105 PolarHBondContact O-N 2.87Å; K105-A107 VanDerWaalsContact C-N 3.34Å; K105-R108 PolarHBondContact O-NE 2.91Å |
| 106 | W | 90.8 | Very high | 86.8 | Confident | 28 Ų | 28 | 77.9 Ų | 77.9 | 11% | 0.106 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -76.5 | -21.5 | 179.2 | 66.8 | -98.9 | 0 | 0 | 0 | 112.5 | A104 E206 A220 I222 M229 P230 H276 | A104-W106 HydrophobicContact CB-CG 4.43Å; A104-W106 VanDerWaalsContact CB-NE1 3.33Å; A104-W106 PolarHBondContact O-N 3.37Å; A104-W106 VanDerWaalsContact O-N 3.1Å; W106-E206 HydrophobicContact CH2-CB 4.3Å; W106-E206 HydrophobicContact CZ2-CB 3.88Å; W106-E206 HydrophobicContact CZ2-CG 4.07Å; W106-A220 HydrophobicContact CD2-CB 3.92Å; W106-A220 HydrophobicContact CE3-CB 4.22Å; W106-A220 HydrophobicContact CG-CB 4.45Å; W106-A220 HydrophobicContact CH2-CB 4.27Å; W106-A220 HydrophobicContact CZ2-CB 3.96Å; W106-A220 HydrophobicContact CZ3-CB 4.38Å; W106-I222 HydrophobicContact CE3-CD1 3.92Å; W106-I222 HydrophobicContact CE3-CG1 3.89Å; W106-I222 HydrophobicContact CZ3-CD1 4.02Å; W106-I222 HydrophobicContact CZ3-CG1 3.61Å; W106-I222 WeakPolarHBondContact O-CD1 3.04Å; W106-M229 HydrophobicContact CE3-CE 4.39Å; W106-M229 HydrophobicContact CE3-SD 3.87Å; W106-P230 HydrophobicContact CB-CG 4.11Å; W106-P230 HydrophobicContact CG-CG 4.04Å; W106-H276 AromaticContact CH2-CD2 3.73Å; W106-H276 AromaticContact CZ2-CD2 3.99Å |
| 107 | A | 91 | Very high | 86 | Confident | 3 Ų | 3 | 76.9 Ų | 76.9 | 3% | 0.025 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -91.9 | 3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | A102 A104 K105 G109 L110 | A102-A107 HydrophobicContact CB-CB 3.56Å; A104-A107 HydrophobicContact CB-CB 4.44Å; A104-A107 PolarHBondContact O-N 3.07Å; K105-A107 VanDerWaalsContact C-N 3.34Å; A107-G109 PolarHBondContact O-N 2.81Å; A107-L110 HydrophobicContact CB-CD1 4.27Å; A107-L110 WeakPolarHBondContact O-CB 3.42Å; A107-L110 PolarHBondContact O-N 2.85Å; A107-L110 VanDerWaalsContact O-N 3.12Å |
| 108 | R | 87.6 | Confident | 85.4 | Confident | 159 Ų | 159 | 86 Ų | 86 | 60% | 0.6 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -62.5 | -27.1 | -177.5 | -73.2 | -175.3 | -68.1 | -168.5 | 7.1 | 113.1 | K105 L110 S111 | K105-R108 PolarHBondContact O-NE 2.91Å; R108-L110 PolarHBondContact O-N 2.77Å; R108-S111 CarbonylContact O-C 3.46Å; R108-S111 PolarHBondContact O-N 3.44Å |
| 109 | G | 86.4 | Confident | 84.8 | Confident | 16 Ų | 16 | 80.5 Ų | 80.5 | 17% | 0.165 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -60.3 | -22.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A107 S111 E227 | A107-G109 PolarHBondContact O-N 2.81Å; G109-S111 VanDerWaalsContact C-N 3.29Å; G109-S111 PolarHBondContact O-N 2.77Å; G109-E227 WeakPolarHBondContact CA-OE1 3.15Å; G109-E227 PolarHBondContact N-OE1 3.4Å |
| 110 | L | 86.6 | Confident | 84.4 | Confident | 8 Ų | 8 | 80.3 Ų | 80.3 | 4% | 0.042 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -72.9 | -23.4 | 178.7 | -61.6 | 174.9 | 0 | 0 | 0 | 112.8 | A107 R108 P202 I222 H276 P278 | A107-L110 HydrophobicContact CB-CD1 4.27Å; A107-L110 WeakPolarHBondContact O-CB 3.42Å; A107-L110 PolarHBondContact O-N 2.85Å; A107-L110 VanDerWaalsContact O-N 3.12Å; R108-L110 PolarHBondContact O-N 2.77Å; L110-P202 HydrophobicContact CD2-CB 4.15Å; L110-P202 HydrophobicContact CD2-CG 4.48Å; L110-I222 HydrophobicContact CD2-CD1 4.48Å; L110-I222 HydrophobicContact CD2-CG2 3.78Å; L110-I222 HydrophobicContact CG-CD1 4.27Å; L110-H276 HydrophobicContact CD1-CB 3.58Å; L110-P278 WeakPolarHBondContact O-CG 3.21Å |
| 111 | S | 84.9 | Confident | 84.2 | Confident | 23 Ų | 23 | 78.5 Ų | 78.5 | 16% | 0.161 | 41% | 0.414 | C | S | . | . | trans | -132.5 | 71 | -179.4 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | R108 G109 Q113 | R108-S111 CarbonylContact O-C 3.46Å; R108-S111 PolarHBondContact O-N 3.44Å; G109-S111 VanDerWaalsContact C-N 3.29Å; G109-S111 PolarHBondContact O-N 2.77Å; S111-Q113 VanDerWaalsContact C-N 3.28Å; S111-Q113 PolarHBondContact O-N 2.95Å | ||
| 112 | P | 77.8 | Confident | 84.2 | Confident | 106 Ų | 106 | 79.2 Ų | 79.2 | 69% | 0.688 | 43% | 0.429 | S | S | * | . | trans | -71.9 | -25.1 | -177.2 | 29.6 | -34.6 | 0 | 0 | 0 | 112.4 | ||||
| 113 | Q | 75.9 | Confident | 84.3 | Confident | 129 Ų | 129 | 84 Ų | 84 | 60% | 0.603 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -78 | 138.4 | 179.2 | -58.2 | -171.8 | -6 | 0 | 0 | 110.7 | S111 N115 Y279 | S111-Q113 VanDerWaalsContact C-N 3.28Å; S111-Q113 PolarHBondContact O-N 2.95Å; Q113-N115 VanDerWaalsContact C-N 3.27Å; Q113-N115 VanDerWaalsContact CB-OD1 3.3Å; Q113-N115 WeakPolarHBondContact CB-OD1 3.38Å; Q113-N115 PolarHBondContact O-N 2.82Å; Q113-N115 PolarHBondContact OE1-OD1 2.91Å; Q113-Y279 PolarHBondContact O-OH 3.46Å |
| 114 | Q | 73.2 | Confident | 84.6 | Confident | 207 Ų | 207 | 78.8 Ų | 78.8 | 97% | 0.967 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -85.1 | 5.6 | -179.2 | -64.9 | -171.2 | 2.8 | 0 | 0 | 113.7 | ||
| 115 | N | 79.1 | Confident | 84.9 | Confident | 100 Ų | 100 | 78.4 Ų | 78.4 | 54% | 0.535 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -114.1 | 150.1 | 177.6 | 57.1 | -3 | 0 | 0 | 0 | 110.7 | Q113 Y279 | Q113-N115 VanDerWaalsContact C-N 3.27Å; Q113-N115 VanDerWaalsContact CB-OD1 3.3Å; Q113-N115 WeakPolarHBondContact CB-OD1 3.38Å; Q113-N115 PolarHBondContact O-N 2.82Å; Q113-N115 PolarHBondContact OE1-OD1 2.91Å; N115-Y279 PolarHBondContact O-OH 3.3Å |
| 116 | C | 77.9 | Confident | 85.3 | Confident | 94 Ų | 94 | 73 Ų | 73 | 64% | 0.635 | 39% | 0.387 | S | S | * | . | trans | -76.5 | 135.9 | 171 | -63.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 117 | S | 78.3 | Confident | 85.6 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 38% | 0.378 | 38% | 0.382 | S | S | . | . | trans | -69.1 | 131.5 | 175.7 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | A119 L120 | S117-A119 PolarHBondContact O-N 2.77Å; S117-A119 VanDerWaalsContact O-N 3.1Å; S117-A119 WeakPolarHBondContact OG-CB 3.27Å; S117-A119 PolarHBondContact OG-N 2.85Å; S117-L120 WeakPolarHBondContact O-CB 3.42Å; S117-L120 PolarHBondContact O-N 2.86Å | ||
| 118 | R | 81.5 | Confident | 85.9 | Confident | 213 Ų | 213 | 73.9 Ų | 73.9 | 80% | 0.804 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -60.4 | -17.7 | 173.2 | -68.4 | -172.6 | -177.4 | 178.9 | -0.3 | 113.2 | L120 D121 | R118-L120 PolarHBondContact O-N 3.37Å; R118-L120 VanDerWaalsContact O-N 3.16Å; R118-D121 WeakPolarHBondContact O-CB 3.36Å; R118-D121 VanDerWaalsContact O-CG 3.29Å; R118-D121 PolarHBondContact O-N 3.05Å; R118-D121 VanDerWaalsContact O-N 3.16Å |
| 119 | A | 80.1 | Confident | 86.3 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 17% | 0.174 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -59.6 | -22.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S117 L190 | S117-A119 PolarHBondContact O-N 2.77Å; S117-A119 VanDerWaalsContact O-N 3.1Å; S117-A119 WeakPolarHBondContact OG-CB 3.27Å; S117-A119 PolarHBondContact OG-N 2.85Å; A119-L190 HydrophobicContact CB-CD1 3.17Å |
| 120 | L | 84.3 | Confident | 86.7 | Confident | 23 Ų | 23 | 67.9 Ų | 67.9 | 12% | 0.12 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -98.3 | 4.9 | -177.4 | -56.3 | 174.3 | 0 | 0 | 0 | 112.7 | P99 S117 R118 W124 Y279 L280 | P99-L120 HydrophobicContact CB-CB 4.37Å; P99-L120 HydrophobicContact CB-CD1 4.23Å; P99-L120 HydrophobicContact CG-CB 4.41Å; S117-L120 WeakPolarHBondContact O-CB 3.42Å; S117-L120 PolarHBondContact O-N 2.86Å; R118-L120 PolarHBondContact O-N 3.37Å; R118-L120 VanDerWaalsContact O-N 3.16Å; L120-W124 HydrophobicContact CB-CZ2 4.34Å; L120-W124 HydrophobicContact CD2-CH2 3.96Å; L120-W124 HydrophobicContact CD2-CZ2 3.68Å; L120-W124 PolarHBondContact O-NE1 2.63Å; L120-Y279 VanDerWaalsContact CD1-CB 3.44Å; L120-Y279 HydrophobicContact CD1-CD2 3.66Å; L120-Y279 HydrophobicContact CD1-CG 3.63Å; L120-L280 HydrophobicContact CD2-CD1 4.45Å; L120-L280 HydrophobicContact CD2-CD2 4.25Å; L120-L280 HydrophobicContact CD2-CG 4.44Å |
| 121 | D | 86.8 | Confident | 87 | Confident | 104 Ų | 104 | 68.6 Ų | 68.6 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | trans | -64.3 | 148.4 | 176.3 | -67.6 | -15.3 | 0 | 0 | 0 | 110.8 | R118 | R118-D121 WeakPolarHBondContact O-CB 3.36Å; R118-D121 VanDerWaalsContact O-CG 3.29Å; R118-D121 PolarHBondContact O-N 3.05Å; R118-D121 VanDerWaalsContact O-N 3.16Å | ||
| 122 | G | 87.7 | Confident | 87.3 | Confident | 58 Ų | 58 | 73.2 Ų | 73.2 | 60% | 0.598 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 107.1 | 178.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | W124 | G122-W124 VanDerWaalsContact O-CD1 3.25Š|
| 123 | D | 92.2 | Very high | 88 | Confident | 121 Ų | 121 | 70.2 Ų | 70.2 | 65% | 0.647 | 39% | 0.393 | S | S | * | . | trans | -78.2 | 144.5 | 178.8 | -64.7 | -34.7 | 0 | 0 | 0 | 110.6 | P142 | D123-P142 HydrophobicContact CB-CG 4.17Å; D123-P142 WeakPolarHBondContact O-CD 3.46Å | ||
| 124 | W | 94.9 | Very high | 89 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 2% | 0.023 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 145.9 | 176.6 | -67.5 | 75.1 | 0 | 0 | 0 | 110.5 | Y97 P99 L120 G122 L139 V159 L280 | Y97-W124 HydrophobicContact CD1-CB 3.93Å; Y97-W124 HydrophobicContact CD1-CG 4.39Å; Y97-W124 HydrophobicContact CG-CB 4.42Å; Y97-W124 PolarHBondContact N-O 2.69Å; Y97-W124 WeakPolarHBondContact O-CB 3.22Å; P99-W124 HydrophobicContact CG-CD2 3.99Å; P99-W124 HydrophobicContact CG-CG 3.88Å; L120-W124 HydrophobicContact CB-CZ2 4.34Å; L120-W124 HydrophobicContact CD2-CH2 3.96Å; L120-W124 HydrophobicContact CD2-CZ2 3.68Å; L120-W124 PolarHBondContact O-NE1 2.63Å; G122-W124 VanDerWaalsContact O-CD1 3.25Å; W124-L139 HydrophobicContact CE3-CB 4.36Å; W124-L139 HydrophobicContact CZ3-CB 4.45Å; W124-V159 HydrophobicContact CH2-CB 4.2Å; W124-V159 HydrophobicContact CH2-CG1 3.91Å; W124-V159 HydrophobicContact CH2-CG2 3.89Å; W124-V159 HydrophobicContact CZ3-CB 3.79Å; W124-V159 HydrophobicContact CZ3-CG1 3.86Å; W124-V159 HydrophobicContact CZ3-CG2 3.72Å; W124-L280 HydrophobicContact CE3-CD2 4.25Å; W124-L280 HydrophobicContact CH2-CD1 4.23Å; W124-L280 HydrophobicContact CH2-CD2 3.98Å; W124-L280 HydrophobicContact CZ3-CD1 4.29Å; W124-L280 HydrophobicContact CZ3-CD2 3.81Å |
| 125 | L | 96.3 | Very high | 90.1 | Very high | 13 Ų | 13 | 54.7 Ų | 54.7 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.7 | 177.2 | -63.9 | 171.4 | 0 | 0 | 0 | 109.3 | F30 F67 M94 S95 L139 L140 P142 | F30-L125 HydrophobicContact CE2-CD2 3.72Å; F30-L125 HydrophobicContact CZ-CD2 4.44Å; F67-L125 HydrophobicContact CD1-CD1 4.36Å; F67-L125 HydrophobicContact CE1-CD1 3.61Å; F67-L125 HydrophobicContact CE2-CD1 4.13Å; F67-L125 HydrophobicContact CZ-CD1 3.47Å; F67-L125 VanDerWaalsContact CZ-CD1 3.47Å; M94-L125 HydrophobicContact CG-CB 4.46Å; M94-L125 HydrophobicContact CG-CD2 4.46Å; M94-L125 HydrophobicContact SD-CD1 3.99Å; M94-L125 HydrophobicContact SD-CD2 4.39Å; S95-L125 CarbonylContact O-C 3.48Å; S95-L125 WeakPolarHBondContact O-CA 3.21Å; L125-L139 CarbonylContact O-C 3.52Å; L125-L139 WeakPolarHBondContact O-CA 2.96Å; L125-L140 HydrophobicContact CB-CB 4.33Å; L125-L140 PolarHBondContact N-O 2.86Å; L125-L140 PolarHBondContact O-N 3.11Å; L125-P142 HydrophobicContact CD1-CB 4.15Å; L125-P142 HydrophobicContact CD1-CG 3.8Å; L125-P142 HydrophobicContact CG-CG 4.05Å |
| 126 | M | 97 | Very high | 90.9 | Very high | 48 Ų | 48 | 50 Ų | 50 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.5 | 164 | -177.3 | -176.1 | -65.3 | 0 | 0 | 108.3 | M94 S95 Y97 S138 L139 | M94-M126 CarbonylContact C-O 3.46Å; M94-M126 VanDerWaalsContact CA-O 3.25Å; M94-M126 WeakPolarHBondContact CA-O 3.13Å; S95-M126 PolarHBondContact N-O 3.05Å; S95-M126 PolarHBondContact O-N 2.82Å; Y97-M126 HydrophobicContact CD2-CB 4.41Å; Y97-M126 HydrophobicContact CD2-CE 3.57Å; Y97-M126 HydrophobicContact CE2-CE 3.75Å; M126-S138 WeakPolarHBondContact CA-O 3Å; M126-L139 HydrophobicContact CB-CD2 4.01Å; M126-L139 HydrophobicContact CE-CD2 4.22Å; M126-L139 HydrophobicContact CG-CD2 4.12Å |
| 127 | V | 97.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.8 | 171.4 | 173.3 | 0 | 0 | 0 | 0 | 107.9 | L46 E93 M94 V129 S137 S138 L140 | L46-V127 HydrophobicContact CD1-CG1 3.72Å; L46-V127 HydrophobicContact CD1-CG2 4.11Å; E93-V127 WeakPolarHBondContact O-CA 3.14Å; M94-V127 HydrophobicContact CE-CG2 4.26Å; M94-V127 HydrophobicContact CG-CG2 4.01Å; V127-V129 HydrophobicContact CG1-CG2 3.94Å; V127-S137 CarbonylContact O-C 3.57Å; V127-S137 VanDerWaalsContact O-CA 3.28Å; V127-S137 WeakPolarHBondContact O-CA 3.15Å; V127-S138 PolarHBondContact N-O 2.98Å; V127-S138 PolarHBondContact O-N 2.81Å; V127-L140 HydrophobicContact CB-CD1 4.06Å; V127-L140 HydrophobicContact CG2-CD1 3.71Å; V127-L140 HydrophobicContact CG2-CD2 4.26Å |
| 128 | S | 97.4 | Very high | 92.8 | Very high | 48 Ų | 48 | 43 Ų | 43 | 34% | 0.336 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.9 | 174.3 | -176.1 | 0 | 0 | 0 | 0 | 109 | C92 E93 | C92-S128 WeakPolarHBondContact CA-O 3.38Å; E93-S128 PolarHBondContact N-O 2.8Å; E93-S128 PolarHBondContact O-N 2.75Å |
| 129 | V | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123.5 | 177.2 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | F80 P90 H91 C92 V127 F134 S135 L136 | F80-V129 HydrophobicContact CZ-CG1 4.07Å; F80-V129 HydrophobicContact CZ-CG2 4.21Å; P90-V129 HydrophobicContact CB-CG1 3.59Å; P90-V129 HydrophobicContact CG-CG1 3.86Å; H91-V129 CarbonylContact O-C 3.46Å; H91-V129 VanDerWaalsContact O-CA 3.23Å; H91-V129 WeakPolarHBondContact O-CA 3.22Å; C92-V129 HydrophobicContact CB-CG2 4.21Å; V127-V129 HydrophobicContact CG1-CG2 3.94Å; V129-F134 HydrophobicContact CG1-CE2 4.13Å; V129-S135 CarbonylContact O-C 3.55Å; V129-S135 WeakPolarHBondContact O-CA 3.25Å; V129-L136 HydrophobicContact CB-CD2 3.55Å; V129-L136 HydrophobicContact CB-CG 3.79Å; V129-L136 HydrophobicContact CG1-CD2 4.12Å; V129-L136 HydrophobicContact CG2-CD2 3.84Å; V129-L136 HydrophobicContact CG2-CG 4.07Å; V129-L136 PolarHBondContact N-O 2.78Å; V129-L136 PolarHBondContact O-N 2.88Å |
| 130 | S | 94.8 | Very high | 94.4 | Very high | 49 Ų | 49 | 32 Ų | 32 | 34% | 0.343 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.6 | 177.8 | 61.7 | 0 | 0 | 0 | 0 | 111 | H91 | H91-S130 PolarHBondContact N-O 3.41Å; H91-S130 PolarHBondContact O-N 2.88Å |
| 131 | G | 91.9 | Very high | 94.9 | Very high | 24 Ų | 24 | 34.1 Ų | 34.1 | 25% | 0.247 | 21% | 0.209 | C | C | . | . | trans | -164.1 | -177.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F134 P167 | G131-F134 PolarHBondContact N-O 2.99Å; G131-F134 VanDerWaalsContact N-O 3.16Å; G131-P167 WeakPolarHBondContact O-CG 3.47Å | ||
| 132 | T | 91.3 | Very high | 95.2 | Very high | 120 Ų | 120 | 30.1 Ų | 30.1 | 74% | 0.736 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -79.6 | -21.7 | 178.5 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | P167 | T132-P167 WeakPolarHBondContact O-CG 3.49Š|
| 133 | V | 93.8 | Very high | 95.2 | Very high | 42 Ų | 42 | 30.3 Ų | 30.3 | 26% | 0.255 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -86.4 | -44.6 | -177.3 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | Y83 P84 A87 | Y83-V133 HydrophobicContact CD2-CB 4.32Å; Y83-V133 HydrophobicContact CD2-CG1 4.2Å; Y83-V133 HydrophobicContact CE2-CB 3.76Å; Y83-V133 HydrophobicContact CE2-CG1 4.16Å; Y83-V133 HydrophobicContact CE2-CG2 3.91Å; P84-V133 HydrophobicContact CG-CG1 4.31Å; P84-V133 HydrophobicContact CG-CG2 4.23Å; A87-V133 HydrophobicContact CB-CG2 4.4Å |
| 134 | F | 95.4 | Very high | 94.7 | Very high | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | trans | -154.6 | 166.6 | 174.9 | 56.3 | -116.5 | 0 | 0 | 0 | 110.4 | A79 F80 Y83 V129 G131 L136 L163 T164 | A79-F134 HydrophobicContact CB-CD1 4.34Å; A79-F134 HydrophobicContact CB-CE1 3.92Å; A79-F134 HydrophobicContact CB-CZ 4.21Å; A79-F134 WeakPolarHBondContact O-CE1 3.47Å; F80-F134 AromaticContact CD1-CZ 3.75Å; F80-F134 HydrophobicContact CD1-CZ 3.75Å; F80-F134 AromaticContact CE1-CE2 3.94Å; F80-F134 HydrophobicContact CE1-CE2 3.94Å; F80-F134 AromaticContact CE1-CZ 3.45Å; F80-F134 HydrophobicContact CE1-CZ 3.45Å; F80-F134 VanDerWaalsContact CE1-CZ 3.45Å; F80-F134 HydrophobicContact CE2-CZ 4.27Å; F80-F134 HydrophobicContact CG-CZ 4.27Å; F80-F134 AromaticContact CZ-CE2 3.85Å; F80-F134 HydrophobicContact CZ-CE2 3.85Å; F80-F134 AromaticContact CZ-CZ 3.69Å; F80-F134 HydrophobicContact CZ-CZ 3.69Å; Y83-F134 HydrophobicContact CD2-CD1 4.27Å; Y83-F134 AromaticContact CD2-CE1 3.49Å; Y83-F134 HydrophobicContact CD2-CE1 3.49Å; Y83-F134 VanDerWaalsContact CD2-CE1 3.49Å; Y83-F134 AromaticContact CD2-CZ 3.79Å; Y83-F134 HydrophobicContact CD2-CZ 3.79Å; Y83-F134 HydrophobicContact CE2-CD1 4.46Å; Y83-F134 AromaticContact CE2-CE1 3.92Å; Y83-F134 HydrophobicContact CE2-CE1 3.92Å; Y83-F134 AromaticContact CE2-CZ 3.99Å; Y83-F134 HydrophobicContact CE2-CZ 3.99Å; V129-F134 HydrophobicContact CG1-CE2 4.13Å; G131-F134 PolarHBondContact N-O 2.99Å; G131-F134 VanDerWaalsContact N-O 3.16Å; F134-L136 HydrophobicContact CD2-CD2 3.85Å; F134-L136 HydrophobicContact CE2-CD2 3.36Å; F134-L136 HydrophobicContact CZ-CD2 4.17Å; F134-L163 HydrophobicContact CB-CD1 3.92Å; F134-L163 HydrophobicContact CD2-CD1 4.24Å; F134-L163 HydrophobicContact CG-CD1 4.06Å; F134-T164 VanDerWaalsContact CA-O 3.27Å; F134-T164 WeakPolarHBondContact CA-O 3.46Å; F134-T164 WeakPolarHBondContact CB-O 3.32Å | ||
| 135 | S | 97 | Very high | 94.1 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.6 | 165.5 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | V129 T164 S285 | V129-S135 CarbonylContact O-C 3.55Å; V129-S135 WeakPolarHBondContact O-CA 3.25Å; S135-T164 PolarHBondContact N-O 3.16Å; S135-T164 VanDerWaalsContact N-O 3.07Å; S135-T164 WeakPolarHBondContact O-CG2 3.45Å; S135-T164 PolarHBondContact O-N 2.92Å; S135-S285 PolarHBondContact OG-O 3.48Å |
| 136 | L | 96.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 151.9 | -178.3 | 90.4 | 107 | 0 | 0 | 0 | 111.8 | L76 F80 V129 F134 S138 T161 V162 L163 | L76-L136 HydrophobicContact CD1-CD1 3.28Å; L76-L136 HydrophobicContact CD1-CD2 4.11Å; L76-L136 HydrophobicContact CD1-CG 4.35Å; F80-L136 HydrophobicContact CE2-CD2 3.74Å; F80-L136 HydrophobicContact CZ-CD2 3.68Å; V129-L136 HydrophobicContact CB-CD2 3.55Å; V129-L136 HydrophobicContact CB-CG 3.79Å; V129-L136 HydrophobicContact CG1-CD2 4.12Å; V129-L136 HydrophobicContact CG2-CD2 3.84Å; V129-L136 HydrophobicContact CG2-CG 4.07Å; V129-L136 PolarHBondContact N-O 2.78Å; V129-L136 PolarHBondContact O-N 2.88Å; F134-L136 HydrophobicContact CD2-CD2 3.85Å; F134-L136 HydrophobicContact CE2-CD2 3.36Å; F134-L136 HydrophobicContact CZ-CD2 4.17Å; L136-S138 VanDerWaalsContact CD1-OG 3.26Å; L136-S138 WeakPolarHBondContact CD1-OG 3.39Å; L136-T161 HydrophobicContact CD1-CG2 4.39Å; L136-V162 CarbonylContact C-O 3.53Å; L136-V162 WeakPolarHBondContact CA-O 3.36Å; L136-L163 HydrophobicContact CB-CD1 3.78Å |
| 137 | S | 98.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132 | 169 | 175 | 0 | 0 | 0 | 0 | 108.2 | V127 T161 V162 Q283 | V127-S137 CarbonylContact O-C 3.57Å; V127-S137 VanDerWaalsContact O-CA 3.28Å; V127-S137 WeakPolarHBondContact O-CA 3.15Å; S137-T161 CarbonylContact O-C 3.58Å; S137-T161 WeakPolarHBondContact O-CA 3.16Å; S137-V162 PolarHBondContact N-O 2.83Å; S137-V162 PolarHBondContact O-N 2.76Å; S137-Q283 WeakPolarHBondContact CB-O 3.45Å |
| 138 | S | 98.1 | Very high | 91 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 143.4 | 177.7 | -66.6 | 0 | 0 | 0 | 0 | 111.6 | M126 V127 L136 L160 T161 | M126-S138 WeakPolarHBondContact CA-O 3Å; V127-S138 PolarHBondContact N-O 2.98Å; V127-S138 PolarHBondContact O-N 2.81Å; L136-S138 VanDerWaalsContact CD1-OG 3.26Å; L136-S138 WeakPolarHBondContact CD1-OG 3.39Å; S138-L160 CarbonylContact C-O 3.5Å; S138-L160 WeakPolarHBondContact CA-O 3.35Å; S138-T161 WeakPolarHBondContact OG-CG2 3.32Å; S138-T161 PolarHBondContact OG-OG1 2.73Å |
| 139 | L | 97.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.2 | 170.5 | -59.2 | -178 | 0 | 0 | 0 | 108.7 | Y97 W124 L125 M126 V159 L160 L280 | Y97-L139 HydrophobicContact CD1-CD1 4.27Å; Y97-L139 HydrophobicContact CD1-CD2 3.98Å; Y97-L139 HydrophobicContact CD2-CD2 3.89Å; Y97-L139 HydrophobicContact CE1-CD1 3.79Å; Y97-L139 HydrophobicContact CE1-CD2 4.19Å; Y97-L139 HydrophobicContact CE2-CD2 4.1Å; Y97-L139 HydrophobicContact CG-CD2 3.81Å; W124-L139 HydrophobicContact CE3-CB 4.36Å; W124-L139 HydrophobicContact CZ3-CB 4.45Å; L125-L139 CarbonylContact O-C 3.52Å; L125-L139 WeakPolarHBondContact O-CA 2.96Å; M126-L139 HydrophobicContact CB-CD2 4.01Å; M126-L139 HydrophobicContact CE-CD2 4.22Å; M126-L139 HydrophobicContact CG-CD2 4.12Å; L139-V159 PolarHBondContact O-N 2.64Å; L139-L160 HydrophobicContact CB-CB 4.25Å; L139-L160 HydrophobicContact CD1-CB 4.27Å; L139-L160 HydrophobicContact CD1-CD2 4.02Å; L139-L160 HydrophobicContact CG-CB 4.34Å; L139-L160 PolarHBondContact N-O 3.19Å; L139-L280 HydrophobicContact CD1-CB 3.96Å; L139-L280 HydrophobicContact CD1-CD2 4.03Å; L139-L280 HydrophobicContact CD1-CG 4.46Å |
| 140 | L | 96.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 144.1 | -177.7 | -73.9 | 73.1 | 0 | 0 | 0 | 109.6 | L46 L125 V127 P142 A156 T157 V158 | L46-L140 HydrophobicContact CD2-CD2 4.33Å; L125-L140 HydrophobicContact CB-CB 4.33Å; L125-L140 PolarHBondContact N-O 2.86Å; L125-L140 PolarHBondContact O-N 3.11Å; V127-L140 HydrophobicContact CB-CD1 4.06Å; V127-L140 HydrophobicContact CG2-CD1 3.71Å; V127-L140 HydrophobicContact CG2-CD2 4.26Å; L140-P142 WeakPolarHBondContact O-CD 3.41Å; L140-A156 HydrophobicContact CB-CB 4.35Å; L140-A156 HydrophobicContact CD2-CB 3.99Å; L140-T157 CarbonylContact C-O 3.47Å; L140-T157 WeakPolarHBondContact CA-O 3.3Å; L140-V158 HydrophobicContact CD1-CG2 4.48Å; L140-V158 HydrophobicContact CD2-CG2 4.5Å; L140-V158 HydrophobicContact CG-CG2 4.1Å |
| 141 | R | 94.3 | Very high | 87.4 | Confident | 68 Ų | 68 | 55.7 Ų | 55.7 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 100.9 | 171.3 | -167.1 | 171.9 | 69.2 | 175 | 2.3 | 109.3 | A156 T157 V159 | R141-A156 WeakPolarHBondContact O-CA 3.38Å; R141-T157 PolarHBondContact N-O 2.84Å; R141-T157 PolarHBondContact O-N 2.87Å; R141-V159 HydrophobicContact CB-CG2 4.34Å |
| 142 | P | 93.3 | Very high | 87.1 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 148.2 | 173.5 | 29.7 | -36.6 | 0 | 0 | 0 | 111.4 | F67 D123 L125 L140 T154 M155 A156 | F67-P142 HydrophobicContact CD1-CB 4.42Å; F67-P142 HydrophobicContact CE1-CB 3.95Å; D123-P142 HydrophobicContact CB-CG 4.17Å; D123-P142 WeakPolarHBondContact O-CD 3.46Å; L125-P142 HydrophobicContact CD1-CB 4.15Å; L125-P142 HydrophobicContact CD1-CG 3.8Å; L125-P142 HydrophobicContact CG-CG 4.05Å; L140-P142 WeakPolarHBondContact O-CD 3.41Å; P142-T154 HydrophobicContact CB-CG2 3.93Å; P142-M155 CarbonylContact C-O 3.58Å; P142-M155 WeakPolarHBondContact CA-O 3.29Å; P142-A156 HydrophobicContact CB-CB 4.49Å |
| 143 | L | 89.2 | Confident | 86.9 | Confident | 61 Ų | 61 | 54.3 Ų | 54.3 | 32% | 0.319 | 27% | 0.272 | S | S | . | . | trans | -71.7 | 145.8 | 166.9 | -90 | 71.6 | 0 | 0 | 0 | 110.3 | E145 Q147 T154 M155 | L143-E145 VanDerWaalsContact C-N 3.29Å; L143-E145 PolarHBondContact O-N 2.91Å; L143-Q147 VanDerWaalsContact CD2-NE2 3.28Å; L143-T154 WeakPolarHBondContact O-CG2 3.4Å; L143-M155 HydrophobicContact CD1-CB 3.86Å; L143-M155 HydrophobicContact CD2-CB 4.33Å; L143-M155 HydrophobicContact CG-CB 4.46Å; L143-M155 PolarHBondContact N-O 2.82Å | ||
| 144 | P | 81.4 | Confident | 86.8 | Confident | 116 Ų | 116 | 52.5 Ų | 52.5 | 75% | 0.753 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -61.7 | -34.2 | -175.4 | -24 | 33.3 | 0 | 0 | 0 | 114.3 | ||
| 145 | E | 80.8 | Confident | 86.7 | Confident | 156 Ų | 156 | 53.9 Ų | 53.9 | 73% | 0.729 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -117 | 132.4 | -178.5 | -67.6 | -173.7 | 173.2 | 0 | 0 | 110.8 | L143 Q147 | L143-E145 VanDerWaalsContact C-N 3.29Å; L143-E145 PolarHBondContact O-N 2.91Å; E145-Q147 PolarHBondContact O-N 3.37Å |
| 146 | P | 78.3 | Confident | 86.5 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 25% | 0.253 | 27% | 0.267 | S | S | . | . | trans | -59.4 | 129.8 | 171.5 | -20.6 | 31.2 | 0 | 0 | 0 | 110.2 | K64 | K64-P146 HydrophobicContact CG-CG 3.96Š| ||
| 147 | Q | 77.3 | Confident | 86.5 | Confident | 87 Ų | 87 | 55.2 Ų | 55.2 | 41% | 0.407 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 155.7 | 175.4 | -64.8 | -168.1 | 6.6 | 0 | 0 | 110.3 | L143 E145 I153 | L143-Q147 VanDerWaalsContact CD2-NE2 3.28Å; E145-Q147 PolarHBondContact O-N 3.37Å; Q147-I153 PolarHBondContact N-O 2.79Å; Q147-I153 PolarHBondContact O-N 2.8Å; Q147-I153 VanDerWaalsContact O-O 3.13Å |
| 148 | R | 70.3 | Confident | 86.4 | Confident | 195 Ų | 195 | 55.3 Ų | 55.3 | 74% | 0.736 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 104.2 | 177.3 | -172.4 | 177.2 | -179.3 | 170.6 | 0.9 | 109.9 | ||
| 149 | E | 60.3 | Low | 86.3 | Confident | 95 Ų | 95 | 55.4 Ų | 55.4 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -142.6 | 122.8 | 168.1 | -75.6 | -170.5 | 157 | 0 | 0 | 110.5 | P55 K68 V151 | P55-E149 WeakPolarHBondContact CG-O 3.37Å; K68-E149 IonicContact NZ-OE2 2.98Å; K68-E149 PolarHBondContact NZ-OE2 2.85Å; E149-V151 PolarHBondContact N-O 2.02Å; E149-V151 VanDerWaalsContact N-O 3.09Å; E149-V151 PolarHBondContact O-N 2.77Å |
| 150 | P | 72.8 | Confident | 86.3 | Confident | 96 Ų | 96 | 55.5 Ų | 55.5 | 62% | 0.623 | 28% | 0.278 | S | S | * | . | S | Bend | -9.6 | -18.8 | -110.2 | 19.2 | -36 | 0 | 0 | 0 | 120.6 | P55 | P55-P150 HydrophobicContact CG-CG 4.26Š| |
| 151 | V | 81.6 | Confident | 86.4 | Confident | 34 Ų | 34 | 55.6 Ų | 55.6 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -127.1 | 159.8 | -176.4 | -173.4 | 0 | 0 | 0 | 0 | 109 | P57 E149 I153 | P57-V151 HydrophobicContact CB-CG1 4.43Å; P57-V151 HydrophobicContact CB-CG2 3.88Å; E149-V151 PolarHBondContact N-O 2.02Å; E149-V151 VanDerWaalsContact N-O 3.09Å; E149-V151 PolarHBondContact O-N 2.77Å; V151-I153 PolarHBondContact O-N 2.79Å |
| 152 | F | 85.4 | Confident | 86.6 | Confident | 113 Ų | 113 | 52.3 Ų | 52.3 | 50% | 0.496 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 119.7 | 169.2 | -70.5 | -80.1 | 0 | 0 | 0 | 110.3 | P63 | P63-F152 HydrophobicContact CB-CB 3.57Å; P63-F152 HydrophobicContact CG-CB 3.83Å |
| 153 | I | 87.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 139.7 | -178.1 | -168 | 167.2 | 0 | 0 | 0 | 109.5 | L47 P55 Y66 K68 Q147 V151 | L47-I153 HydrophobicContact CB-CD1 4.28Å; L47-I153 HydrophobicContact CD2-CD1 3.63Å; P55-I153 HydrophobicContact CB-CD1 4.02Å; Y66-I153 HydrophobicContact CD1-CB 4.06Å; Y66-I153 HydrophobicContact CD1-CD1 3.82Å; Y66-I153 HydrophobicContact CD1-CG1 3.74Å; Y66-I153 HydrophobicContact CD2-CD1 4.19Å; Y66-I153 HydrophobicContact CD2-CG1 4.38Å; Y66-I153 HydrophobicContact CE1-CB 4.34Å; Y66-I153 HydrophobicContact CE1-CD1 3.53Å; Y66-I153 HydrophobicContact CE1-CG1 3.99Å; Y66-I153 HydrophobicContact CE2-CD1 3.92Å; Y66-I153 HydrophobicContact CG-CD1 4.14Å; Y66-I153 HydrophobicContact CG-CG1 3.95Å; Y66-I153 VanDerWaalsContact O-CG1 3.27Å; Y66-I153 WeakPolarHBondContact O-CG1 3.5Å; K68-I153 HydrophobicContact CB-CD1 3.65Å; K68-I153 HydrophobicContact CB-CG1 3.99Å; Q147-I153 PolarHBondContact N-O 2.79Å; Q147-I153 PolarHBondContact O-N 2.8Å; Q147-I153 VanDerWaalsContact O-O 3.13Å; V151-I153 PolarHBondContact O-N 2.79Å |
| 154 | T | 91.6 | Very high | 87.2 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.1 | 178 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | P63 Y66 F67 K68 P142 L143 | P63-T154 PolarHBondContact O-OG1 3.15Å; Y66-T154 PolarHBondContact O-N 3.22Å; F67-T154 CarbonylContact C-O 3.54Å; F67-T154 WeakPolarHBondContact CA-O 3.42Å; F67-T154 HydrophobicContact CD1-CG2 3.87Å; F67-T154 HydrophobicContact CE1-CG2 3.89Å; K68-T154 PolarHBondContact N-O 2.92Å; P142-T154 HydrophobicContact CB-CG2 3.93Å; L143-T154 WeakPolarHBondContact O-CG2 3.4Å |
| 155 | M | 91.5 | Very high | 87.8 | Confident | 34 Ų | 34 | 46.3 Ų | 46.3 | 17% | 0.167 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 135.7 | 170.6 | -71.6 | -64.3 | -62 | 0 | 0 | 109.2 | K68 D70 P142 L143 | K68-M155 HydrophobicContact CB-SD 3.54Å; K68-M155 VanDerWaalsContact CB-SD 3.54Å; K68-M155 HydrophobicContact CD-CE 4.32Å; K68-M155 HydrophobicContact CD-SD 3.37Å; K68-M155 WeakPolarHBondContact CD-SD 3.49Å; K68-M155 HydrophobicContact CG-CE 4.15Å; K68-M155 HydrophobicContact CG-SD 3.47Å; K68-M155 WeakPolarHBondContact CG-SD 3.38Å; D70-M155 HydrophobicContact CB-CE 4.04Å; P142-M155 CarbonylContact C-O 3.58Å; P142-M155 WeakPolarHBondContact CA-O 3.29Å; L143-M155 HydrophobicContact CD1-CB 3.86Å; L143-M155 HydrophobicContact CD2-CB 4.33Å; L143-M155 HydrophobicContact CG-CB 4.46Å; L143-M155 PolarHBondContact N-O 2.82Å |
| 156 | A | 94.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 118.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F67 K68 D70 L140 R141 P142 | F67-A156 HydrophobicContact CB-CB 4.2Å; F67-A156 HydrophobicContact CD1-CB 3.95Å; F67-A156 HydrophobicContact CG-CB 4.41Å; K68-A156 PolarHBondContact O-N 2.89Å; D70-A156 PolarHBondContact N-O 3.17Å; L140-A156 HydrophobicContact CB-CB 4.35Å; L140-A156 HydrophobicContact CD2-CB 3.99Å; R141-A156 WeakPolarHBondContact O-CA 3.38Å; P142-A156 HydrophobicContact CB-CB 4.49Å |
| 157 | T | 95.2 | Very high | 89.3 | Confident | 34 Ų | 34 | 43 Ų | 43 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 128.3 | -179.9 | -59.4 | 0 | 0 | 0 | 0 | 110.2 | D70 P72 L140 R141 | D70-T157 CarbonylContact O-C 3.55Å; D70-T157 VanDerWaalsContact O-CA 3.3Å; D70-T157 WeakPolarHBondContact O-CA 3.43Å; D70-T157 WeakPolarHBondContact OD2-CG2 3.48Å; D70-T157 PolarHBondContact OD2-OG1 3.03Å; P72-T157 HydrophobicContact CG-CG2 3.92Å; L140-T157 CarbonylContact C-O 3.47Å; L140-T157 WeakPolarHBondContact CA-O 3.3Å; R141-T157 PolarHBondContact N-O 2.84Å; R141-T157 PolarHBondContact O-N 2.87Å |
| 158 | V | 96.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 125.5 | 175.6 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | V69 D70 D71 L76 L140 T161 | V69-V158 HydrophobicContact CG1-CG2 3.82Å; D70-V158 WeakPolarHBondContact O-CG2 3.29Å; D70-V158 PolarHBondContact O-N 2.96Å; D71-V158 HydrophobicContact CB-CB 4.32Å; D71-V158 HydrophobicContact CB-CG2 3.97Å; L76-V158 HydrophobicContact CD2-CG2 3.58Å; L140-V158 HydrophobicContact CD1-CG2 4.48Å; L140-V158 HydrophobicContact CD2-CG2 4.5Å; L140-V158 HydrophobicContact CG-CG2 4.1Å; V158-T161 VanDerWaalsContact CG1-OG1 3.23Å; V158-T161 WeakPolarHBondContact CG1-OG1 3.38Å |
| 159 | V | 95.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -46.5 | -179.1 | 176 | 0 | 0 | 0 | 0 | 111.2 | W124 L139 R141 Y185 A186 L280 | W124-V159 HydrophobicContact CH2-CB 4.2Å; W124-V159 HydrophobicContact CH2-CG1 3.91Å; W124-V159 HydrophobicContact CH2-CG2 3.89Å; W124-V159 HydrophobicContact CZ3-CB 3.79Å; W124-V159 HydrophobicContact CZ3-CG1 3.86Å; W124-V159 HydrophobicContact CZ3-CG2 3.72Å; L139-V159 PolarHBondContact O-N 2.64Å; R141-V159 HydrophobicContact CB-CG2 4.34Å; V159-Y185 HydrophobicContact CG1-CD2 4.2Å; V159-Y185 HydrophobicContact CG1-CE2 3.8Å; V159-Y185 CarbonylContact O-C 3.59Å; V159-Y185 WeakPolarHBondContact O-CA 3.46Å; V159-Y185 VanDerWaalsContact O-CD2 3.31Å; V159-Y185 WeakPolarHBondContact O-CD2 3.24Å; V159-A186 PolarHBondContact O-N 3.19Å; V159-L280 HydrophobicContact CG1-CD1 3.9Å |
| 160 | L | 97.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.2 | 178.9 | 174.3 | 61.5 | 0 | 0 | 0 | 108.6 | S138 L139 V162 A184 L277 L280 | S138-L160 CarbonylContact C-O 3.5Å; S138-L160 WeakPolarHBondContact CA-O 3.35Å; L139-L160 HydrophobicContact CB-CB 4.25Å; L139-L160 HydrophobicContact CD1-CB 4.27Å; L139-L160 HydrophobicContact CD1-CD2 4.02Å; L139-L160 HydrophobicContact CG-CB 4.34Å; L139-L160 PolarHBondContact N-O 3.19Å; L160-V162 HydrophobicContact CD1-CG2 4.31Å; L160-V162 HydrophobicContact CG-CG2 4.32Å; L160-A184 WeakPolarHBondContact CA-O 3.47Å; L160-A184 WeakPolarHBondContact CD1-O 3.41Å; L160-L277 HydrophobicContact CD1-CD1 3.74Å; L160-L277 HydrophobicContact CD2-CD1 4.22Å; L160-L277 HydrophobicContact CG-CD1 4.43Å; L160-L280 HydrophobicContact CD2-CB 4.48Å |
| 161 | T | 98.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.2 | 167.8 | -63.8 | 0 | 0 | 0 | 0 | 109.1 | M75 L136 S137 S138 V158 F183 A184 | M75-T161 HydrophobicContact CB-CG2 4.18Å; M75-T161 HydrophobicContact CG-CG2 3.8Å; M75-T161 HydrophobicContact SD-CG2 3.92Å; L136-T161 HydrophobicContact CD1-CG2 4.39Å; S137-T161 CarbonylContact O-C 3.58Å; S137-T161 WeakPolarHBondContact O-CA 3.16Å; S138-T161 WeakPolarHBondContact OG-CG2 3.32Å; S138-T161 PolarHBondContact OG-OG1 2.73Å; V158-T161 VanDerWaalsContact CG1-OG1 3.23Å; V158-T161 WeakPolarHBondContact CG1-OG1 3.38Å; T161-F183 CarbonylContact O-C 3.57Å; T161-F183 WeakPolarHBondContact O-CA 3.27Å; T161-F183 VanDerWaalsContact O-CB 3.27Å; T161-F183 WeakPolarHBondContact O-CB 3.5Å; T161-A184 PolarHBondContact N-O 3.14Å; T161-A184 PolarHBondContact O-N 2.68Å |
| 162 | V | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.8 | 170 | -175.6 | 0 | 0 | 0 | 0 | 107.1 | L136 S137 L160 L181 F183 V275 V284 | L136-V162 CarbonylContact C-O 3.53Å; L136-V162 WeakPolarHBondContact CA-O 3.36Å; S137-V162 PolarHBondContact N-O 2.83Å; S137-V162 PolarHBondContact O-N 2.76Å; L160-V162 HydrophobicContact CD1-CG2 4.31Å; L160-V162 HydrophobicContact CG-CG2 4.32Å; V162-L181 HydrophobicContact CG1-CD1 3.67Å; V162-L181 HydrophobicContact CG1-CG 4.42Å; V162-F183 HydrophobicContact CG2-CB 4.17Å; V162-V275 HydrophobicContact CG1-CG2 4.06Å; V162-V275 HydrophobicContact CG2-CB 3.88Å; V162-V275 HydrophobicContact CG2-CG2 3.96Å; V162-V284 HydrophobicContact CB-CG1 4.18Å; V162-V284 HydrophobicContact CG1-CG1 3.9Å; V162-V284 HydrophobicContact CG1-CG2 3.99Å; V162-V284 WeakPolarHBondContact O-CG1 3.47Å |
| 163 | L | 97.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 139.9 | -169.1 | 174.7 | 67.6 | 0 | 0 | 0 | 110.2 | M75 A79 F134 L136 L181 R182 | M75-L163 HydrophobicContact CG-CB 4.49Å; M75-L163 HydrophobicContact CG-CD2 4.09Å; M75-L163 HydrophobicContact SD-CB 4.07Å; M75-L163 HydrophobicContact SD-CD2 4.49Å; A79-L163 HydrophobicContact CB-CD1 4.21Å; A79-L163 HydrophobicContact CB-CD2 4.07Å; F134-L163 HydrophobicContact CB-CD1 3.92Å; F134-L163 HydrophobicContact CD2-CD1 4.24Å; F134-L163 HydrophobicContact CG-CD1 4.06Å; L136-L163 HydrophobicContact CB-CD1 3.78Å; L163-L181 WeakPolarHBondContact O-CA 3.37Å; L163-R182 PolarHBondContact N-O 2.84Å; L163-R182 PolarHBondContact O-N 3.49Å; L163-R182 VanDerWaalsContact O-O 3.13Å |
| 164 | T | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128.4 | 164.1 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | F134 S135 H166 D180 V284 L286 | F134-T164 VanDerWaalsContact CA-O 3.27Å; F134-T164 WeakPolarHBondContact CA-O 3.46Å; F134-T164 WeakPolarHBondContact CB-O 3.32Å; S135-T164 PolarHBondContact N-O 3.16Å; S135-T164 VanDerWaalsContact N-O 3.07Å; S135-T164 WeakPolarHBondContact O-CG2 3.45Å; S135-T164 PolarHBondContact O-N 2.92Å; T164-H166 VanDerWaalsContact C-N 3.27Å; T164-H166 PolarHBondContact OG1-N 2.84Å; T164-D180 WeakPolarHBondContact CB-O 3.28Å; T164-D180 PolarHBondContact OG1-O 3.27Å; T164-V284 HydrophobicContact CG2-CB 4.26Å; T164-V284 HydrophobicContact CG2-CG2 4.14Å; T164-L286 HydrophobicContact CG2-CD1 4.05Å; T164-L286 HydrophobicContact CG2-CD2 4.34Å; T164-L286 HydrophobicContact CG2-CG 3.89Å; T164-L286 WeakPolarHBondContact OG1-CD2 3.25Å |
| 165 | H | 95.3 | Very high | 95.9 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 32% | 0.315 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -80.4 | -9.8 | 177.9 | -60.6 | 87.2 | 0 | 0 | 0 | 113 | D180 | H165-D180 WeakPolarHBondContact CB-OD2 3.29Å; H165-D180 IonicContact CE1-OD2 3.38Å; H165-D180 IonicContact CG-OD2 3.26Å; H165-D180 PolarHBondContact N-OD2 3.23Å; H165-D180 IonicContact ND1-OD2 3.95Å; H165-D180 PolarHBondContact ND1-OD2 2.9Å |
| 166 | H | 95.2 | Very high | 96.1 | Very high | 109 Ų | 109 | 41 Ų | 41 | 51% | 0.505 | 21% | 0.214 | S | C | . | . | trans | -129.8 | 79.6 | -176.8 | -56.2 | 97.4 | 0 | 0 | 0 | 108.9 | T164 A168 P169 | T164-H166 VanDerWaalsContact C-N 3.27Å; T164-H166 PolarHBondContact OG1-N 2.84Å; H166-A168 VanDerWaalsContact C-N 3.27Å; H166-A168 PolarHBondContact O-N 3.45Å; H166-P169 WeakPolarHBondContact O-CD 3.32Å | ||
| 167 | P | 95.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 41 Ų | 41 | 10% | 0.104 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -72.8 | -20.1 | -175 | 29 | -33.7 | 0 | 0 | 0 | 112.8 | G131 T132 L286 E287 | G131-P167 WeakPolarHBondContact O-CG 3.47Å; T132-P167 WeakPolarHBondContact O-CG 3.49Å; P167-L286 CarbonylContact O-C 3.55Å; P167-L286 VanDerWaalsContact O-CA 3.24Å; P167-L286 WeakPolarHBondContact O-CA 3.48Å; P167-E287 PolarHBondContact O-N 3.35Å |
| 168 | A | 95.9 | Very high | 96.3 | Very high | 59 Ų | 59 | 43.4 Ų | 43.4 | 49% | 0.488 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -134.5 | 68.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | H166 R170 E287 | H166-A168 VanDerWaalsContact C-N 3.27Å; H166-A168 PolarHBondContact O-N 3.45Å; A168-R170 PolarHBondContact O-N 2.89Å; A168-E287 CarbonylContact C-O 3.49Å; A168-E287 WeakPolarHBondContact CA-O 3.29Å |
| 169 | P | 95.8 | Very high | 96.4 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 8% | 0.078 | 23% | 0.227 | C | C | . | . | trans | -67.5 | 130.1 | -176.8 | 25.3 | -28.9 | 0 | 0 | 0 | 111 | H166 I171 L179 E287 L288 T289 | H166-P169 WeakPolarHBondContact O-CD 3.32Å; P169-I171 HydrophobicContact CB-CD1 4.39Å; P169-L179 HydrophobicContact CB-CD2 4.36Å; P169-L179 HydrophobicContact CG-CD2 3.72Å; P169-E287 WeakPolarHBondContact CD-O 3.22Å; P169-L288 HydrophobicContact CB-CD1 4.33Å; P169-L288 HydrophobicContact CG-CB 4.47Å; P169-L288 HydrophobicContact CG-CD1 4Å; P169-T289 PolarHBondContact O-N 2.88Å | ||
| 170 | R | 95.1 | Very high | 96.4 | Very high | 146 Ų | 146 | 44.3 Ų | 44.3 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 108.8 | 175.8 | -60.6 | -175.8 | 66.8 | -172 | -0.2 | 109.6 | A168 T289 P389 | A168-R170 PolarHBondContact O-N 2.89Å; R170-T289 CarbonylContact C-O 3.14Å; R170-T289 WeakPolarHBondContact CA-O 3.43Å; R170-T289 WeakPolarHBondContact CG-OG1 3.34Å; R170-P389 PolarHBondContact NH2-O 3.35Å |
| 171 | I | 96.3 | Very high | 96.4 | Very high | 28 Ų | 28 | 44.3 Ų | 44.3 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 143 | -171.8 | -54.4 | -61.4 | 0 | 0 | 0 | 110.6 | P169 K175 A177 V263 L288 T289 V290 H291 | P169-I171 HydrophobicContact CB-CD1 4.39Å; I171-K175 HydrophobicContact CG2-CB 4.47Å; I171-A177 HydrophobicContact CB-CB 4.46Å; I171-A177 HydrophobicContact CD1-CB 4.2Å; I171-A177 HydrophobicContact CG1-CB 3.78Å; I171-A177 HydrophobicContact CG2-CB 4.14Å; I171-V263 HydrophobicContact CG2-CB 4.41Å; I171-V263 HydrophobicContact CG2-CG2 4.43Å; I171-L288 HydrophobicContact CB-CD1 4.21Å; I171-L288 HydrophobicContact CG1-CD1 3.46Å; I171-L288 VanDerWaalsContact CG1-CD1 3.46Å; I171-T289 PolarHBondContact N-O 3.08Å; I171-V290 CarbonylContact O-C 3.51Å; I171-V290 VanDerWaalsContact O-CA 3.28Å; I171-V290 WeakPolarHBondContact O-CA 3.41Å; I171-H291 PolarHBondContact O-N 2.85Å; I171-H291 PolarHBondContact O-ND1 2.95Å |
| 172 | H | 95.4 | Very high | 96.4 | Very high | 96 Ų | 96 | 47 Ų | 47 | 44% | 0.444 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 135.6 | 174.8 | -71.5 | 120.8 | 0 | 0 | 0 | 110.7 | G174 K175 H291 | H172-G174 PolarHBondContact O-N 2.82Å; H172-K175 HydrophobicContact CB-CB 4.21Å; H172-K175 HydrophobicContact CB-CG 3.71Å; H172-K175 WeakPolarHBondContact O-CB 3.46Å; H172-K175 PolarHBondContact O-N 3.43Å; H172-H291 CarbonylContact C-O 3.51Å; H172-H291 VanDerWaalsContact CA-O 3.26Å; H172-H291 WeakPolarHBondContact CA-O 3.24Å; H172-H291 AromaticContact CD2-CD2 3.78Å; H172-H291 AromaticContact CD2-CE1 3.57Å; H172-H291 AromaticContact CD2-NE2 3.27Å; H172-H291 PolarHBondContact CD2-NE2 2.79Å; H172-H291 VanDerWaalsContact CD2-NE2 3.27Å; H172-H291 AromaticContact CE1-NE2 3.97Å; H172-H291 AromaticContact NE2-CD2 3.97Å; H172-H291 AromaticContact NE2-CE1 3.8Å; H172-H291 AromaticContact NE2-NE2 3.2Å; H172-H291 PolarHBondContact NE2-NE2 2.88Å; H172-H291 VanDerWaalsContact NE2-NE2 3.2Å |
| 173 | L | 95.6 | Very high | 96.4 | Very high | 22 Ų | 22 | 47 Ų | 47 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 130.4 | 177.7 | -171.9 | 152.5 | 0 | 0 | 0 | 111.3 | K175 P265 V290 H291 K292 Y323 D359 | L173-K175 PolarHBondContact O-N 2.95Å; L173-P265 HydrophobicContact CD1-CG 3.77Å; L173-V290 HydrophobicContact CB-CG1 3.67Å; L173-V290 HydrophobicContact CD1-CG1 4.34Å; L173-V290 HydrophobicContact CG-CG1 4.17Å; L173-H291 PolarHBondContact N-O 2.87Å; L173-K292 HydrophobicContact CB-CB 3.99Å; L173-K292 HydrophobicContact CB-CD 4.09Å; L173-K292 HydrophobicContact CB-CG 4.36Å; L173-K292 HydrophobicContact CD1-CD 4.39Å; L173-K292 HydrophobicContact CD2-CD 4.18Å; L173-K292 HydrophobicContact CG-CD 4.46Å; L173-Y323 HydrophobicContact CD1-CG 4.42Å; L173-D359 HydrophobicContact CD2-CB 4.19Å |
| 174 | G | 94.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 46.8 Ų | 46.8 | 43% | 0.433 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 2.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | H172 V263 | H172-G174 PolarHBondContact O-N 2.82Å; G174-V263 PolarHBondContact N-O 3.33Å |
| 175 | K | 96.1 | Very high | 96.2 | Very high | 135 Ų | 135 | 48.2 Ų | 48.2 | 59% | 0.587 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -93.9 | 160.6 | 169.5 | -63.4 | -61.5 | -172.8 | 176.3 | 0 | 110.8 | I171 H172 L173 V263 | I171-K175 HydrophobicContact CG2-CB 4.47Å; H172-K175 HydrophobicContact CB-CB 4.21Å; H172-K175 HydrophobicContact CB-CG 3.71Å; H172-K175 WeakPolarHBondContact O-CB 3.46Å; H172-K175 PolarHBondContact O-N 3.43Å; L173-K175 PolarHBondContact O-N 2.95Å; K175-V263 PolarHBondContact O-N 2.95Å |
| 176 | D | 97.2 | Very high | 96.1 | Very high | 80 Ų | 80 | 45.3 Ų | 45.3 | 43% | 0.428 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -74.9 | 139.2 | 175.9 | -58.8 | -10.7 | 0 | 0 | 0 | 110.1 | W259 L260 P261 A262 | D176-W259 WeakPolarHBondContact OD2-CZ2 3.32Å; D176-W259 PolarHBondContact OD2-NE1 2.93Å; D176-L260 CarbonylContact C-O 3.58Å; D176-L260 WeakPolarHBondContact CA-O 3.49Å; D176-P261 WeakPolarHBondContact OD1-CA 3.46Å; D176-A262 PolarHBondContact OD1-N 2.95Å |
| 177 | A | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 135.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I171 L179 W259 L260 V263 L288 | I171-A177 HydrophobicContact CB-CB 4.46Å; I171-A177 HydrophobicContact CD1-CB 4.2Å; I171-A177 HydrophobicContact CG1-CB 3.78Å; I171-A177 HydrophobicContact CG2-CB 4.14Å; A177-L179 HydrophobicContact CB-CD2 4.24Å; A177-W259 WeakPolarHBondContact O-CA 3.37Å; A177-L260 HydrophobicContact CB-CB 4.33Å; A177-L260 PolarHBondContact N-O 3.46Å; A177-L260 PolarHBondContact O-N 2.97Å; A177-V263 HydrophobicContact CB-CG2 3.53Å; A177-L288 HydrophobicContact CB-CD1 4.43Å |
| 178 | V | 97 | Very high | 94.7 | Very high | 84 Ų | 84 | 42.8 Ų | 42.8 | 51% | 0.509 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 104.7 | 169.8 | -177.6 | 0 | 0 | 0 | 0 | 107.1 | L258 | V178-L258 CarbonylContact C-O 3.57Å; V178-L258 WeakPolarHBondContact CA-O 3.43Å |
| 179 | L | 97.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 106.9 | 178.4 | -48.6 | -174.7 | 0 | 0 | 0 | 108.4 | P169 A177 W207 T257 L258 Y271 L286 L288 | P169-L179 HydrophobicContact CB-CD2 4.36Å; P169-L179 HydrophobicContact CG-CD2 3.72Å; A177-L179 HydrophobicContact CB-CD2 4.24Å; L179-W207 HydrophobicContact CB-CH2 3.67Å; L179-W207 HydrophobicContact CB-CZ2 4.36Å; L179-W207 HydrophobicContact CB-CZ3 4.12Å; L179-W207 HydrophobicContact CD1-CE3 4.43Å; L179-W207 HydrophobicContact CD1-CH2 4.23Å; L179-W207 HydrophobicContact CD1-CZ3 3.8Å; L179-T257 CarbonylContact O-C 3.59Å; L179-T257 VanDerWaalsContact O-CA 3.28Å; L179-T257 WeakPolarHBondContact O-CA 3.26Å; L179-L258 HydrophobicContact CB-CB 4.15Å; L179-L258 HydrophobicContact CD1-CB 4.47Å; L179-L258 HydrophobicContact CD1-CD2 3.9Å; L179-L258 HydrophobicContact CG-CB 4.46Å; L179-L258 PolarHBondContact N-O 2.81Å; L179-L258 PolarHBondContact O-N 3.2Å; L179-Y271 HydrophobicContact CD1-CD1 3.48Å; L179-Y271 VanDerWaalsContact CD1-CD1 3.48Å; L179-Y271 HydrophobicContact CD1-CD2 4.5Å; L179-Y271 HydrophobicContact CD1-CE1 3.87Å; L179-Y271 HydrophobicContact CD1-CG 3.83Å; L179-L286 HydrophobicContact CB-CD2 4.1Å; L179-L288 HydrophobicContact CD2-CD1 4.12Å |
| 180 | D | 96.4 | Very high | 91.5 | Very high | 25 Ų | 25 | 48 Ų | 48 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | trans | -65.5 | 134.2 | -178.1 | 174.3 | 64.2 | 0 | 0 | 0 | 112.1 | T164 H165 | T164-D180 WeakPolarHBondContact CB-O 3.28Å; T164-D180 PolarHBondContact OG1-O 3.27Å; H165-D180 WeakPolarHBondContact CB-OD2 3.29Å; H165-D180 IonicContact CE1-OD2 3.38Å; H165-D180 IonicContact CG-OD2 3.26Å; H165-D180 PolarHBondContact N-OD2 3.23Å; H165-D180 IonicContact ND1-OD2 3.95Å; H165-D180 PolarHBondContact ND1-OD2 2.9Å | ||
| 181 | L | 98.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -151 | 124.2 | 174.4 | -172.3 | 77.7 | 0 | 0 | 0 | 109.9 | V162 L163 L205 W207 N255 G256 A273 V275 V284 | V162-L181 HydrophobicContact CG1-CD1 3.67Å; V162-L181 HydrophobicContact CG1-CG 4.42Å; L163-L181 WeakPolarHBondContact O-CA 3.37Å; L181-L205 HydrophobicContact CD2-CD1 3.64Å; L181-W207 HydrophobicContact CB-CH2 4.44Å; L181-W207 HydrophobicContact CB-CZ2 3.79Å; L181-W207 HydrophobicContact CD2-CZ2 3.96Å; L181-W207 HydrophobicContact CG-CZ2 4.34Å; L181-N255 PolarHBondContact O-OD1 2.69Å; L181-G256 WeakPolarHBondContact CD2-O 3.06Å; L181-G256 PolarHBondContact O-N 3.47Å; L181-A273 HydrophobicContact CD1-CB 3.63Å; L181-A273 HydrophobicContact CD2-CB 3.77Å; L181-A273 HydrophobicContact CG-CB 4.29Å; L181-V275 HydrophobicContact CD2-CG2 4.25Å; L181-V284 HydrophobicContact CD1-CG2 3.36Å | ||
| 182 | R | 97.9 | Very high | 86.8 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 22% | 0.223 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146 | 178.2 | -59.7 | -67.9 | -69.8 | 167.8 | 1.7 | 108.2 | M75 L163 D243 | M75-R182 HydrophobicContact CE-CB 3.86Å; M75-R182 HydrophobicContact SD-CB 4.39Å; L163-R182 PolarHBondContact N-O 2.84Å; L163-R182 PolarHBondContact O-N 3.49Å; L163-R182 VanDerWaalsContact O-O 3.13Å; R182-D243 IonicContact CZ-OD1 3.55Å; R182-D243 IonicContact CZ-OD2 2.72Å; R182-D243 VanDerWaalsContact CZ-OD2 3.28Å; R182-D243 IonicContact NH1-OD1 3.45Å; R182-D243 PolarHBondContact NH1-OD1 3.44Å; R182-D243 IonicContact NH1-OD2 2.72Å; R182-D243 PolarHBondContact NH1-OD2 3.32Å; R182-D243 IonicContact NH2-OD1 3.56Å; R182-D243 PolarHBondContact NH2-OD1 3.35Å; R182-D243 IonicContact NH2-OD2 3.59Å; R182-D243 PolarHBondContact NH2-OD2 3.11Å |
| 183 | F | 97.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 159.3 | 174.3 | 64.7 | -84.8 | 0 | 0 | 0 | 111 | M75 T161 V162 F203 W242 T253 G254 N255 V275 | M75-F183 VanDerWaalsContact CE-C 3.46Å; M75-F183 WeakPolarHBondContact CE-O 3.41Å; M75-F183 VanDerWaalsContact SD-C 3.59Å; T161-F183 CarbonylContact O-C 3.57Å; T161-F183 WeakPolarHBondContact O-CA 3.27Å; T161-F183 VanDerWaalsContact O-CB 3.27Å; T161-F183 WeakPolarHBondContact O-CB 3.5Å; V162-F183 HydrophobicContact CG2-CB 4.17Å; F183-F203 HydrophobicContact CE1-CD2 4.25Å; F183-F203 AromaticContact CE1-CE2 3.76Å; F183-F203 HydrophobicContact CE1-CE2 3.76Å; F183-F203 HydrophobicContact CE1-CZ 4.03Å; F183-F203 HydrophobicContact CE2-CD2 4.25Å; F183-F203 HydrophobicContact CE2-CE2 4.43Å; F183-F203 HydrophobicContact CE2-CG 4.28Å; F183-F203 HydrophobicContact CZ-CD1 4.09Å; F183-F203 AromaticContact CZ-CD2 3.68Å; F183-F203 HydrophobicContact CZ-CD2 3.68Å; F183-F203 AromaticContact CZ-CE1 3.87Å; F183-F203 HydrophobicContact CZ-CE1 3.87Å; F183-F203 AromaticContact CZ-CE2 3.44Å; F183-F203 HydrophobicContact CZ-CE2 3.44Å; F183-F203 VanDerWaalsContact CZ-CE2 3.44Å; F183-F203 AromaticContact CZ-CG 3.98Å; F183-F203 HydrophobicContact CZ-CG 3.98Å; F183-F203 AromaticContact CZ-CZ 3.53Å; F183-F203 HydrophobicContact CZ-CZ 3.53Å; F183-W242 HydrophobicContact CD2-CH2 4.14Å; F183-W242 AromaticContact CD2-CZ3 3.99Å; F183-W242 HydrophobicContact CD2-CZ3 3.99Å; F183-W242 HydrophobicContact CE2-CD2 4.34Å; F183-W242 AromaticContact CE2-CE3 3.86Å; F183-W242 HydrophobicContact CE2-CE3 3.86Å; F183-W242 AromaticContact CE2-CH2 3.47Å; F183-W242 HydrophobicContact CE2-CH2 3.47Å; F183-W242 VanDerWaalsContact CE2-CH2 3.47Å; F183-W242 AromaticContact CE2-CZ2 3.96Å; F183-W242 HydrophobicContact CE2-CZ2 3.96Å; F183-W242 AromaticContact CE2-CZ3 3.4Å; F183-W242 HydrophobicContact CE2-CZ3 3.4Å; F183-W242 HydrophobicContact CZ-CE3 4.33Å; F183-W242 HydrophobicContact CZ-CH2 4.48Å; F183-W242 HydrophobicContact CZ-CZ3 4.3Å; F183-T253 CarbonylContact O-C 3.54Å; F183-T253 WeakPolarHBondContact O-CA 3.44Å; F183-G254 VanDerWaalsContact CE1-C 3.45Å; F183-G254 PolarHBondContact N-O 3.31Å; F183-G254 PolarHBondContact O-N 3.05Å; F183-N255 WeakPolarHBondContact CE1-O 3.47Å; F183-V275 HydrophobicContact CB-CG2 4.15Å; F183-V275 HydrophobicContact CD1-CG1 4.42Å; F183-V275 HydrophobicContact CD1-CG2 3.97Å; F183-V275 HydrophobicContact CD2-CG1 3.95Å; F183-V275 HydrophobicContact CE2-CG1 4.2Å; F183-V275 HydrophobicContact CG-CG1 4.07Å; F183-V275 HydrophobicContact CG-CG2 4.06Å |
| 184 | A | 97.1 | Very high | 82 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 145.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A73 M75 L160 T161 W252 T253 | A73-A184 HydrophobicContact CB-CB 3.67Å; M75-A184 HydrophobicContact CB-CB 3.8Å; M75-A184 HydrophobicContact CE-CB 3.84Å; M75-A184 HydrophobicContact CG-CB 4.47Å; M75-A184 HydrophobicContact SD-CB 3.9Å; L160-A184 WeakPolarHBondContact CA-O 3.47Å; L160-A184 WeakPolarHBondContact CD1-O 3.41Å; T161-A184 PolarHBondContact N-O 3.14Å; T161-A184 PolarHBondContact O-N 2.68Å; A184-W252 CarbonylContact C-O 3.57Å; A184-W252 VanDerWaalsContact CA-O 3.26Å; A184-W252 WeakPolarHBondContact CA-O 3.05Å; A184-T253 HydrophobicContact CB-CG2 3.95Å |
| 185 | Y | 95 | Very high | 79.8 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.5 | -177.8 | 175.4 | -117.9 | 0 | 0 | 0 | 110.2 | V159 P187 P201 W242 P251 W252 L277 L280 | V159-Y185 HydrophobicContact CG1-CD2 4.2Å; V159-Y185 HydrophobicContact CG1-CE2 3.8Å; V159-Y185 CarbonylContact O-C 3.59Å; V159-Y185 WeakPolarHBondContact O-CA 3.46Å; V159-Y185 VanDerWaalsContact O-CD2 3.31Å; V159-Y185 WeakPolarHBondContact O-CD2 3.24Å; Y185-P187 HydrophobicContact CE1-CB 4.07Å; Y185-P201 HydrophobicContact CD1-CG 3.83Å; Y185-P201 HydrophobicContact CE1-CG 3.7Å; Y185-W242 HydrophobicContact CD1-CH2 4.48Å; Y185-P251 WeakPolarHBondContact O-CA 3.31Å; Y185-P251 WeakPolarHBondContact O-CB 3.28Å; Y185-W252 AromaticContact CD1-CE3 3.8Å; Y185-W252 HydrophobicContact CD1-CE3 3.8Å; Y185-W252 AromaticContact CD1-CZ3 3.9Å; Y185-W252 HydrophobicContact CD1-CZ3 3.9Å; Y185-W252 HydrophobicContact CE1-CE3 4.35Å; Y185-W252 AromaticContact CE1-CZ3 3.97Å; Y185-W252 HydrophobicContact CE1-CZ3 3.97Å; Y185-W252 PolarHBondContact N-O 3.45Å; Y185-W252 PolarHBondContact O-N 2.87Å; Y185-L277 HydrophobicContact CD1-CD1 4.36Å; Y185-L277 HydrophobicContact CD2-CD1 3.46Å; Y185-L277 VanDerWaalsContact CD2-CD1 3.46Å; Y185-L277 HydrophobicContact CE2-CD1 4.02Å; Y185-L277 HydrophobicContact CG-CD1 3.66Å; Y185-L280 HydrophobicContact CE2-CD1 4.19Å |
| 186 | A | 92.3 | Very high | 77.6 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | trans | -111 | 113.9 | 171 | 0 | 0 | 0 | 0 | 0 | 108 | P72 V159 P251 | P72-A186 HydrophobicContact CB-CB 3.98Å; P72-A186 HydrophobicContact CG-CB 4.23Å; V159-A186 PolarHBondContact O-N 3.19Å; A186-P251 HydrophobicContact CB-CB 4Å | ||
| 187 | P | 85.2 | Confident | 75.5 | Confident | 49 Ų | 49 | 60.1 Ų | 60.1 | 32% | 0.318 | 37% | 0.366 | S | S | . | . | trans | -63.2 | 141.1 | 179.2 | 25.8 | -32 | 0 | 0 | 0 | 110.4 | Y185 A189 W249 W252 | Y185-P187 HydrophobicContact CE1-CB 4.07Å; P187-A189 PolarHBondContact O-N 3.03Å; P187-W249 WeakPolarHBondContact CG-O 3.35Å; P187-W252 HydrophobicContact CB-CZ3 4.33Å; P187-W252 HydrophobicContact CG-CH2 4.12Å; P187-W252 HydrophobicContact CG-CZ3 3.78Å | ||
| 188 | P | 75.5 | Confident | 74 | Confident | 23 Ų | 23 | 64.1 Ų | 64.1 | 15% | 0.149 | 39% | 0.394 | C | S | . | . | trans | -60.3 | 129.3 | 173.9 | -19 | 29.9 | 0 | 0 | 0 | 110.3 | L190 | P188-L190 PolarHBondContact O-N 3.34Š| ||
| 189 | A | 66.1 | Low | 73.2 | Confident | 91 Ų | 91 | 61.5 Ų | 61.5 | 75% | 0.752 | 38% | 0.384 | S | S | * | . | trans | -62.5 | 111.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | P187 | P187-A189 PolarHBondContact O-N 3.03Š| ||
| 190 | L | 60.1 | Low | 72.7 | Confident | 90 Ų | 90 | 63 Ų | 63 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | trans | -100.5 | 130.9 | 165 | -115 | 115.3 | 0 | 0 | 0 | 108.5 | A119 P188 D192 A193 | A119-L190 HydrophobicContact CB-CD1 3.17Å; P188-L190 PolarHBondContact O-N 3.34Å; L190-D192 PolarHBondContact O-N 3.15Å; L190-A193 HydrophobicContact CB-CB 4.39Å | ||
| 191 | E | 48 | Very low | 72.3 | Confident | 193 Ų | 193 | 63 Ų | 63 | 90% | 0.902 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -12.7 | 177.1 | -67 | -170.2 | 148.5 | 0 | 0 | 113.3 | ||
| 192 | D | 44.5 | Very low | 72 | Confident | 145 Ų | 145 | 65.6 Ų | 65.6 | 78% | 0.775 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.2 | 23.1 | -168.6 | -72.1 | -43.9 | 0 | 0 | 0 | 116.4 | L190 | L190-D192 PolarHBondContact O-N 3.15Š|
| 193 | A | 47.5 | Very low | 71.8 | Confident | 67 Ų | 67 | 62.8 Ų | 62.8 | 55% | 0.554 | 40% | 0.401 | S | S | * | . | trans | -81.3 | 124.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L190 S195 | L190-A193 HydrophobicContact CB-CB 4.39Å; A193-S195 PolarHBondContact O-N 2.96Å; A193-S195 VanDerWaalsContact O-N 3.1Å | ||
| 194 | P | 41.7 | Very low | 71.7 | Confident | 122 Ų | 122 | 62.8 Ų | 62.8 | 79% | 0.792 | 40% | 0.401 | S | S | * | . | trans | -61.1 | 119.6 | 172 | 23.6 | -30 | 0 | 0 | 0 | 109.1 | V196 | P194-V196 PolarHBondContact O-N 2.8Š| ||
| 195 | S | 47.9 | Very low | 71.7 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 66% | 0.657 | 40% | 0.4 | S | S | * | . | trans | -55.6 | 93.6 | -178.1 | 56.3 | 0 | 0 | 0 | 0 | 112 | A193 | A193-S195 PolarHBondContact O-N 2.96Å; A193-S195 VanDerWaalsContact O-N 3.1Å | ||
| 196 | V | 50.2 | Low | 71.8 | Confident | 113 Ų | 113 | 62 Ų | 62 | 69% | 0.685 | 40% | 0.398 | S | S | * | . | trans | -104.9 | 112.6 | 151.9 | -178.3 | 0 | 0 | 0 | 0 | 105.4 | P194 S198 | P194-V196 PolarHBondContact O-N 2.8Å; V196-S198 PolarHBondContact O-N 2.96Å | ||
| 197 | A | 52.8 | Low | 72 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | trans | -65.2 | 76.7 | 170 | 0 | 0 | 0 | 0 | 0 | 108.8 | P248 | A197-P248 HydrophobicContact CB-CB 4Š| ||
| 198 | S | 66.4 | Low | 72.5 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 59% | 0.587 | 40% | 0.396 | S | S | * | . | trans | -95.3 | 115.8 | 165.6 | 53.2 | 0 | 0 | 0 | 0 | 105.2 | V196 | V196-S198 PolarHBondContact O-N 2.96Š| ||
| 199 | G | 79.4 | Confident | 73.3 | Confident | 29 Ų | 29 | 63.3 Ų | 63.3 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | trans | -58.7 | -149.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 200 | P | 88 | Confident | 74.4 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 20% | 0.201 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -60.8 | 137.9 | -169.6 | 27 | -36.1 | 0 | 0 | 0 | 112.1 | W242 D245 W252 | P200-W242 HydrophobicContact CB-CB 4.32Å; P200-W242 HydrophobicContact CB-CD2 3.65Å; P200-W242 HydrophobicContact CB-CE3 4.34Å; P200-W242 HydrophobicContact CB-CG 3.6Å; P200-W242 HydrophobicContact CB-CZ2 4.29Å; P200-W242 HydrophobicContact CG-CB 4.06Å; P200-W242 HydrophobicContact CG-CD2 4.34Å; P200-W242 HydrophobicContact CG-CG 3.75Å; P200-D245 HydrophobicContact CG-CB 4.29Å; P200-W252 HydrophobicContact CB-CB 4.24Å; P200-W252 HydrophobicContact CB-CD2 3.81Å; P200-W252 HydrophobicContact CB-CE3 4.45Å; P200-W252 HydrophobicContact CB-CG 3.7Å |
| 201 | P | 87.8 | Confident | 75.3 | Confident | 27 Ų | 27 | 62 Ų | 62 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 156.9 | -176.8 | 28.4 | -35.8 | 0 | 0 | 0 | 111.4 | Y185 F203 W242 L277 | Y185-P201 HydrophobicContact CD1-CG 3.83Å; Y185-P201 HydrophobicContact CE1-CG 3.7Å; P201-F203 PolarHBondContact O-N 2.98Å; P201-W242 HydrophobicContact CG-CZ2 4.23Å; P201-W242 WeakPolarHBondContact O-CZ2 3.33Å; P201-W242 PolarHBondContact O-NE1 2.9Å; P201-L277 HydrophobicContact CG-CD2 3.98Å |
| 202 | P | 90.8 | Very high | 76.4 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 34% | 0.344 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 141.3 | 168.5 | 27.9 | -34.3 | 0 | 0 | 0 | 109.5 | L110 | L110-P202 HydrophobicContact CD2-CB 4.15Å; L110-P202 HydrophobicContact CD2-CG 4.48Å |
| 203 | F | 93.9 | Very high | 77.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | trans | -129.8 | 151.5 | 176.7 | 73.9 | -83.2 | 0 | 0 | 0 | 110 | F183 P201 L205 I222 P223 A240 W242 V275 H276 L277 | F183-F203 HydrophobicContact CE1-CD2 4.25Å; F183-F203 AromaticContact CE1-CE2 3.76Å; F183-F203 HydrophobicContact CE1-CE2 3.76Å; F183-F203 HydrophobicContact CE1-CZ 4.03Å; F183-F203 HydrophobicContact CE2-CD2 4.25Å; F183-F203 HydrophobicContact CE2-CE2 4.43Å; F183-F203 HydrophobicContact CE2-CG 4.28Å; F183-F203 HydrophobicContact CZ-CD1 4.09Å; F183-F203 AromaticContact CZ-CD2 3.68Å; F183-F203 HydrophobicContact CZ-CD2 3.68Å; F183-F203 AromaticContact CZ-CE1 3.87Å; F183-F203 HydrophobicContact CZ-CE1 3.87Å; F183-F203 AromaticContact CZ-CE2 3.44Å; F183-F203 HydrophobicContact CZ-CE2 3.44Å; F183-F203 VanDerWaalsContact CZ-CE2 3.44Å; F183-F203 AromaticContact CZ-CG 3.98Å; F183-F203 HydrophobicContact CZ-CG 3.98Å; F183-F203 AromaticContact CZ-CZ 3.53Å; F183-F203 HydrophobicContact CZ-CZ 3.53Å; P201-F203 PolarHBondContact O-N 2.98Å; F203-L205 HydrophobicContact CE2-CB 4.33Å; F203-I222 WeakPolarHBondContact O-CA 3.33Å; F203-I222 WeakPolarHBondContact O-CG2 3.36Å; F203-P223 HydrophobicContact CE1-CB 3.88Å; F203-P223 HydrophobicContact CE1-CG 3.81Å; F203-P223 HydrophobicContact CE2-CG 4.09Å; F203-P223 HydrophobicContact CZ-CB 4.15Å; F203-P223 HydrophobicContact CZ-CG 3.57Å; F203-P223 WeakPolarHBondContact O-CD 3.4Å; F203-A240 HydrophobicContact CE2-CB 4.37Å; F203-A240 HydrophobicContact CZ-CB 4.24Å; F203-W242 HydrophobicContact CB-CZ2 4.25Å; F203-W242 HydrophobicContact CD1-CD2 4.4Å; F203-W242 AromaticContact CD1-CE2 3.62Å; F203-W242 AromaticContact CD1-CZ2 3.97Å; F203-W242 HydrophobicContact CD1-CZ2 3.97Å; F203-W242 AromaticContact CD1-NE1 3.34Å; F203-W242 VanDerWaalsContact CD1-NE1 3.34Å; F203-W242 AromaticContact CE1-CD1 3.93Å; F203-W242 HydrophobicContact CE1-CD2 4.44Å; F203-W242 HydrophobicContact CE1-CG 4.36Å; F203-W242 AromaticContact CE1-NE1 3.73Å; F203-W242 HydrophobicContact CG-CZ2 4.38Å; F203-V275 HydrophobicContact CD2-CG1 4.27Å; F203-H276 CarbonylContact C-O 3.57Å; F203-H276 VanDerWaalsContact CA-O 3.28Å; F203-H276 WeakPolarHBondContact CA-O 3.36Å; F203-H276 WeakPolarHBondContact CB-O 3.38Å; F203-L277 HydrophobicContact CB-CD2 3.83Å | ||
| 204 | G | 95.5 | Very high | 78.9 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 139.5 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | A221 V275 H276 | G204-A221 CarbonylContact C-O 3.56Å; G204-A221 WeakPolarHBondContact CA-O 3.38Å; G204-V275 CarbonylContact O-C 3.57Å; G204-V275 WeakPolarHBondContact O-CA 3.48Å; G204-H276 PolarHBondContact N-O 2.84Å; G204-H276 PolarHBondContact O-N 3.1Å |
| 205 | L | 97.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.6 | 169.5 | 178.9 | 65.9 | 0 | 0 | 0 | 109.1 | L181 F203 L219 A220 A221 A238 A240 V275 | L181-L205 HydrophobicContact CD2-CD1 3.64Å; F203-L205 HydrophobicContact CE2-CB 4.33Å; L205-L219 HydrophobicContact CD2-CD2 4.27Å; L205-A220 CarbonylContact O-C 3.51Å; L205-A220 VanDerWaalsContact O-CA 3.24Å; L205-A220 WeakPolarHBondContact O-CA 3.31Å; L205-A221 PolarHBondContact N-O 2.86Å; L205-A221 PolarHBondContact O-N 2.87Å; L205-A238 HydrophobicContact CD2-CB 3.5Å; L205-A240 HydrophobicContact CB-CB 4.4Å; L205-A240 HydrophobicContact CD2-CB 3.65Å; L205-V275 HydrophobicContact CD1-CG2 4.45Å |
| 206 | E | 96.6 | Very high | 82.7 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 7% | 0.065 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 126.8 | 174.9 | -167.8 | 178.7 | 163.9 | 0 | 0 | 110.8 | W106 R208 L217 A273 T274 H276 | W106-E206 HydrophobicContact CH2-CB 4.3Å; W106-E206 HydrophobicContact CZ2-CB 3.88Å; W106-E206 HydrophobicContact CZ2-CG 4.07Å; E206-R208 HydrophobicContact CG-CG 4.06Å; E206-R208 WeakPolarHBondContact OE1-CD 3.5Å; E206-R208 WeakPolarHBondContact OE1-CG 3.23Å; E206-R208 IonicContact OE1-CZ 3.69Å; E206-R208 IonicContact OE1-NE 3.83Å; E206-R208 IonicContact OE1-NH1 2.76Å; E206-R208 PolarHBondContact OE1-NH1 3.41Å; E206-L217 HydrophobicContact CG-CD1 3.49Å; E206-L217 VanDerWaalsContact CG-CD1 3.49Å; E206-A273 CarbonylContact O-C 3.51Å; E206-A273 WeakPolarHBondContact O-CA 3.28Å; E206-T274 PolarHBondContact N-O 2.89Å; E206-T274 PolarHBondContact O-N 2.99Å; E206-H276 IonicContact OE2-CE1 2.95Å; E206-H276 IonicContact OE2-NE2 3.67Å; E206-H276 PolarHBondContact OE2-NE2 2.91Å |
| 207 | W | 97.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.1 | 170.2 | -81.1 | 95.2 | 0 | 0 | 0 | 110.3 | L179 L181 L218 L219 G256 L258 Y271 L272 A273 L286 | L179-W207 HydrophobicContact CB-CH2 3.67Å; L179-W207 HydrophobicContact CB-CZ2 4.36Å; L179-W207 HydrophobicContact CB-CZ3 4.12Å; L179-W207 HydrophobicContact CD1-CE3 4.43Å; L179-W207 HydrophobicContact CD1-CH2 4.23Å; L179-W207 HydrophobicContact CD1-CZ3 3.8Å; L181-W207 HydrophobicContact CB-CH2 4.44Å; L181-W207 HydrophobicContact CB-CZ2 3.79Å; L181-W207 HydrophobicContact CD2-CZ2 3.96Å; L181-W207 HydrophobicContact CG-CZ2 4.34Å; W207-L218 HydrophobicContact CB-CB 4.48Å; W207-L218 PolarHBondContact O-N 2.92Å; W207-L219 HydrophobicContact CB-CB 4.34Å; W207-L219 PolarHBondContact N-O 3.5Å; W207-L219 PolarHBondContact O-N 3Å; W207-G256 PolarHBondContact NE1-O 2.73Å; W207-L258 HydrophobicContact CB-CD1 4.19Å; W207-L258 HydrophobicContact CB-CD2 4.29Å; W207-L258 HydrophobicContact CD2-CB 3.83Å; W207-L258 HydrophobicContact CD2-CD1 4.31Å; W207-L258 HydrophobicContact CD2-CD2 3.89Å; W207-L258 HydrophobicContact CD2-CG 4.23Å; W207-L258 HydrophobicContact CE3-CB 4.31Å; W207-L258 HydrophobicContact CE3-CD2 3.93Å; W207-L258 HydrophobicContact CG-CB 4.24Å; W207-L258 HydrophobicContact CG-CD1 3.85Å; W207-L258 HydrophobicContact CG-CD2 4.07Å; W207-L258 HydrophobicContact CG-CG 4.28Å; W207-L258 HydrophobicContact CH2-CB 4.19Å; W207-L258 HydrophobicContact CZ2-CB 3.71Å; W207-L258 HydrophobicContact CZ3-CB 4.47Å; W207-Y271 HydrophobicContact CE3-CD1 4.29Å; W207-Y271 HydrophobicContact CZ3-CD1 4.48Å; W207-L272 WeakPolarHBondContact CA-O 3.36Å; W207-A273 HydrophobicContact CD2-CB 3.91Å; W207-A273 HydrophobicContact CE3-CB 3.84Å; W207-A273 HydrophobicContact CH2-CB 3.67Å; W207-A273 HydrophobicContact CZ2-CB 3.71Å; W207-A273 HydrophobicContact CZ3-CB 3.73Å; W207-L286 HydrophobicContact CH2-CD1 4.04Å; W207-L286 HydrophobicContact CH2-CD2 4.27Å; W207-L286 HydrophobicContact CZ3-CD1 4.02Å |
| 208 | R | 94.8 | Very high | 86.7 | Confident | 87 Ų | 87 | 51.9 Ų | 51.9 | 33% | 0.328 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 146.3 | 176.1 | -50.7 | 177.9 | 74.7 | 92.6 | -3.1 | 110.1 | E206 H216 L217 Y271 L272 | E206-R208 HydrophobicContact CG-CG 4.06Å; E206-R208 WeakPolarHBondContact OE1-CD 3.5Å; E206-R208 WeakPolarHBondContact OE1-CG 3.23Å; E206-R208 IonicContact OE1-CZ 3.69Å; E206-R208 IonicContact OE1-NE 3.83Å; E206-R208 IonicContact OE1-NH1 2.76Å; E206-R208 PolarHBondContact OE1-NH1 3.41Å; R208-H216 CarbonylContact C-O 3.59Å; R208-H216 VanDerWaalsContact CA-O 3.27Å; R208-H216 WeakPolarHBondContact CA-O 3.5Å; R208-L217 HydrophobicContact CG-CD1 4.18Å; R208-Y271 CarbonylContact O-C 3.57Å; R208-Y271 WeakPolarHBondContact O-CA 3.48Å; R208-L272 HydrophobicContact CB-CB 4.4Å; R208-L272 PolarHBondContact N-O 2.75Å; R208-L272 PolarHBondContact O-N 3Å |
| 209 | R | 93.9 | Very high | 88.1 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.5 | 165.6 | -177.7 | 178.9 | 69.5 | -130.1 | -2.1 | 110 | G215 H216 L218 E234 Q267 V270 Y271 | R209-G215 CarbonylContact O-C 3.51Å; R209-G215 WeakPolarHBondContact O-CA 3.47Å; R209-H216 PolarHBondContact N-O 3.36Å; R209-H216 PolarHBondContact O-N 3.32Å; R209-L218 HydrophobicContact CB-CD1 3.87Å; R209-L218 HydrophobicContact CB-CG 4.23Å; R209-E234 IonicContact CZ-OE1 2.9Å; R209-E234 VanDerWaalsContact CZ-OE1 3.26Å; R209-E234 IonicContact CZ-OE2 2.69Å; R209-E234 VanDerWaalsContact NH1-CD 3.26Å; R209-E234 IonicContact NH1-OE1 3.16Å; R209-E234 PolarHBondContact NH1-OE1 3.21Å; R209-E234 IonicContact NH1-OE2 2.71Å; R209-E234 PolarHBondContact NH1-OE2 3.07Å; R209-E234 IonicContact NH2-OE1 3.8Å; R209-E234 PolarHBondContact NH2-OE1 3.41Å; R209-E234 IonicContact NH2-OE2 3Å; R209-Q267 WeakPolarHBondContact CD-O 3.3Å; R209-V270 CarbonylContact C-O 3.52Å; R209-V270 WeakPolarHBondContact CA-O 3.4Å; R209-Y271 HydrophobicContact CB-CD1 4.45Å; R209-Y271 HydrophobicContact CB-CE1 4.29Å; R209-Y271 HydrophobicContact CB-CE2 4.42Å; R209-Y271 HydrophobicContact CG-CD2 4.24Å; R209-Y271 HydrophobicContact CG-CE2 3.88Å; R209-Y271 PolarHBondContact NH1-OH 3.03Å |
| 210 | Q | 88.5 | Confident | 88.9 | Confident | 92 Ų | 92 | 47.5 Ų | 47.5 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 115.5 | 168.7 | -169.9 | 173.6 | 9.5 | 0 | 0 | 109.1 | V270 | Q210-V270 PolarHBondContact N-O 3.14Å; Q210-V270 PolarHBondContact O-N 2.68Å; Q210-V270 VanDerWaalsContact O-N 3.13Å |
| 211 | H | 77.9 | Confident | 89.2 | Confident | 60 Ų | 60 | 47.2 Ų | 47.2 | 28% | 0.278 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 127 | 175.6 | -173 | 86.3 | 0 | 0 | 0 | 109 | G213 K214 E268 | H211-G213 VanDerWaalsContact C-N 3.28Å; H211-G213 PolarHBondContact O-N 3.5Å; H211-K214 PolarHBondContact N-O 3.23Å; H211-K214 VanDerWaalsContact N-O 3.12Å; H211-K214 PolarHBondContact O-N 3.13Å; H211-K214 VanDerWaalsContact O-N 3.07Å; H211-E268 PolarHBondContact ND1-O 3.04Å |
| 212 | R | 72.9 | Confident | 89.4 | Confident | 226 Ų | 226 | 46.4 Ų | 46.4 | 85% | 0.853 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 45.5 | -179.9 | -63.3 | 173.9 | -177.5 | -169.3 | -1.8 | 113.4 | K214 | R212-K214 VanDerWaalsContact C-N 3.28Å; R212-K214 PolarHBondContact O-N 3.42Å |
| 213 | G | 70.1 | Confident | 89.2 | Confident | 69 Ų | 69 | 45.6 Ų | 45.6 | 71% | 0.711 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -2.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116 | H211 | H211-G213 VanDerWaalsContact C-N 3.28Å; H211-G213 PolarHBondContact O-N 3.5Å |
| 214 | K | 74.3 | Confident | 88.4 | Confident | 148 Ų | 148 | 49.7 Ų | 49.7 | 64% | 0.643 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.8 | 175.8 | -63.5 | -177.2 | -178.1 | 179 | 0 | 110.8 | H211 R212 | H211-K214 PolarHBondContact N-O 3.23Å; H211-K214 VanDerWaalsContact N-O 3.12Å; H211-K214 PolarHBondContact O-N 3.13Å; H211-K214 VanDerWaalsContact O-N 3.07Å; R212-K214 VanDerWaalsContact C-N 3.28Å; R212-K214 PolarHBondContact O-N 3.42Å |
| 215 | G | 80.6 | Confident | 87.6 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 119.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | R209 | R209-G215 CarbonylContact O-C 3.51Å; R209-G215 WeakPolarHBondContact O-CA 3.47Å |
| 216 | H | 87.9 | Confident | 86.6 | Confident | 71 Ų | 71 | 61.6 Ų | 61.6 | 33% | 0.329 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.2 | 176.6 | -58.6 | 88 | 0 | 0 | 0 | 110.2 | R208 R209 L218 | R208-H216 CarbonylContact C-O 3.59Å; R208-H216 VanDerWaalsContact CA-O 3.27Å; R208-H216 WeakPolarHBondContact CA-O 3.5Å; R209-H216 PolarHBondContact N-O 3.36Å; R209-H216 PolarHBondContact O-N 3.32Å; H216-L218 PolarHBondContact O-N 3.41Å |
| 217 | L | 93.3 | Very high | 85.7 | Confident | 37 Ų | 37 | 64.5 Ų | 64.5 | 19% | 0.194 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 123.5 | 169.2 | -179.1 | 68.4 | 0 | 0 | 0 | 109 | E206 R208 A220 P230 R233 | E206-L217 HydrophobicContact CG-CD1 3.49Å; E206-L217 VanDerWaalsContact CG-CD1 3.49Å; R208-L217 HydrophobicContact CG-CD1 4.18Å; L217-A220 HydrophobicContact CD1-CB 4.29Å; L217-A220 HydrophobicContact CD2-CB 4.18Å; L217-P230 HydrophobicContact CD2-CB 3.74Å; L217-P230 HydrophobicContact CD2-CG 3.83Å; L217-R233 VanDerWaalsContact O-CD 3.31Å; L217-R233 WeakPolarHBondContact O-CD 3.33Å |
| 218 | L | 94.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -46.1 | 177.6 | -67.1 | 179.3 | 0 | 0 | 0 | 111.4 | W207 R209 H216 A232 R233 L258 Y271 | W207-L218 HydrophobicContact CB-CB 4.48Å; W207-L218 PolarHBondContact O-N 2.92Å; R209-L218 HydrophobicContact CB-CD1 3.87Å; R209-L218 HydrophobicContact CB-CG 4.23Å; H216-L218 PolarHBondContact O-N 3.41Å; L218-A232 CarbonylContact O-C 3.6Å; L218-A232 WeakPolarHBondContact O-CA 3.39Å; L218-R233 HydrophobicContact CD2-CB 4.32Å; L218-R233 PolarHBondContact O-N 3.09Å; L218-L258 HydrophobicContact CD1-CD2 4.45Å; L218-Y271 HydrophobicContact CD1-CD1 3.83Å; L218-Y271 HydrophobicContact CD1-CE1 3.32Å |
| 219 | L | 95.6 | Very high | 84.8 | Confident | 15 Ų | 15 | 72.5 Ų | 72.5 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 139.5 | -177.3 | -175.6 | 147.6 | 0 | 0 | 0 | 109.6 | L205 W207 A221 A238 L258 | L205-L219 HydrophobicContact CD2-CD2 4.27Å; W207-L219 HydrophobicContact CB-CB 4.34Å; W207-L219 PolarHBondContact N-O 3.5Å; W207-L219 PolarHBondContact O-N 3Å; L219-A221 HydrophobicContact CD2-CB 4.21Å; L219-A238 HydrophobicContact CD1-CB 3.76Å; L219-A238 HydrophobicContact CD2-CB 3.69Å; L219-A238 HydrophobicContact CG-CB 4.4Å; L219-L258 HydrophobicContact CB-CD1 4.27Å; L219-L258 HydrophobicContact CD1-CD1 4.21Å |
| 220 | A | 95.4 | Very high | 84.7 | Confident | 7 Ų | 7 | 73.2 Ų | 73.2 | 6% | 0.058 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 137.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | W106 L205 L217 P230 | W106-A220 HydrophobicContact CD2-CB 3.92Å; W106-A220 HydrophobicContact CE3-CB 4.22Å; W106-A220 HydrophobicContact CG-CB 4.45Å; W106-A220 HydrophobicContact CH2-CB 4.27Å; W106-A220 HydrophobicContact CZ2-CB 3.96Å; W106-A220 HydrophobicContact CZ3-CB 4.38Å; L205-A220 CarbonylContact O-C 3.51Å; L205-A220 VanDerWaalsContact O-CA 3.24Å; L205-A220 WeakPolarHBondContact O-CA 3.31Å; L217-A220 HydrophobicContact CD1-CB 4.29Å; L217-A220 HydrophobicContact CD2-CB 4.18Å; A220-P230 HydrophobicContact CB-CG 4.1Å |
| 221 | A | 93.8 | Very high | 84.8 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 21% | 0.207 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 150.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G204 L205 L219 | G204-A221 CarbonylContact C-O 3.56Å; G204-A221 WeakPolarHBondContact CA-O 3.38Å; L205-A221 PolarHBondContact N-O 2.86Å; L205-A221 PolarHBondContact O-N 2.87Å; L219-A221 HydrophobicContact CD2-CB 4.21Å |
| 222 | I | 92.6 | Very high | 85.5 | Confident | 10 Ų | 10 | 74.1 Ų | 74.1 | 5% | 0.051 | 42% | 0.424 | C | S | . | . | trans | -125.9 | 92.5 | 167.9 | -57.6 | 177.3 | 0 | 0 | 0 | 108 | W106 L110 F203 G224 L225 M229 | W106-I222 HydrophobicContact CE3-CD1 3.92Å; W106-I222 HydrophobicContact CE3-CG1 3.89Å; W106-I222 HydrophobicContact CZ3-CD1 4.02Å; W106-I222 HydrophobicContact CZ3-CG1 3.61Å; W106-I222 WeakPolarHBondContact O-CD1 3.04Å; L110-I222 HydrophobicContact CD2-CD1 4.48Å; L110-I222 HydrophobicContact CD2-CG2 3.78Å; L110-I222 HydrophobicContact CG-CD1 4.27Å; F203-I222 WeakPolarHBondContact O-CA 3.33Å; F203-I222 WeakPolarHBondContact O-CG2 3.36Å; I222-G224 PolarHBondContact O-N 3.1Å; I222-L225 HydrophobicContact CB-CB 4.3Å; I222-L225 HydrophobicContact CG2-CB 3.53Å; I222-L225 HydrophobicContact CG2-CD2 4.31Å; I222-L225 PolarHBondContact O-N 2.93Å; I222-M229 HydrophobicContact CB-CE 4.2Å; I222-M229 HydrophobicContact CD1-CE 3.67Å; I222-M229 HydrophobicContact CD1-SD 4.46Å; I222-M229 HydrophobicContact CG1-CE 3.78Å; I222-M229 HydrophobicContact CG1-SD 4.05Å | ||
| 223 | P | 87.5 | Confident | 86.5 | Confident | 35 Ų | 35 | 69.6 Ų | 69.6 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 135.7 | 174.4 | -26.3 | 38.7 | 0 | 0 | 0 | 111 | F203 L225 A240 | F203-P223 HydrophobicContact CE1-CB 3.88Å; F203-P223 HydrophobicContact CE1-CG 3.81Å; F203-P223 HydrophobicContact CE2-CG 4.09Å; F203-P223 HydrophobicContact CZ-CB 4.15Å; F203-P223 HydrophobicContact CZ-CG 3.57Å; F203-P223 WeakPolarHBondContact O-CD 3.4Å; P223-L225 VanDerWaalsContact C-N 3.34Å; P223-L225 PolarHBondContact O-N 2.72Å; P223-A240 HydrophobicContact CG-CB 3.61Å; P223-A240 VanDerWaalsContact CG-O 3.26Å; P223-A240 WeakPolarHBondContact CG-O 3.27Å |
| 224 | G | 75.9 | Confident | 87.5 | Confident | 86 Ų | 86 | 69.6 Ų | 69.6 | 89% | 0.887 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | -8.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | I222 | I222-G224 PolarHBondContact O-N 3.1Š|
| 225 | L | 79.8 | Confident | 88.4 | Confident | 63 Ų | 63 | 70.8 Ų | 70.8 | 33% | 0.33 | 39% | 0.393 | S | S | . | . | trans | -124.1 | 125.8 | 176.9 | -155.1 | 73.2 | 0 | 0 | 0 | 111.4 | I222 P223 E227 | I222-L225 HydrophobicContact CB-CB 4.3Å; I222-L225 HydrophobicContact CG2-CB 3.53Å; I222-L225 HydrophobicContact CG2-CD2 4.31Å; I222-L225 PolarHBondContact O-N 2.93Å; P223-L225 VanDerWaalsContact C-N 3.34Å; P223-L225 PolarHBondContact O-N 2.72Å; L225-E227 VanDerWaalsContact C-N 3.33Å; L225-E227 HydrophobicContact CD2-CG 3.7Å; L225-E227 HydrophobicContact CG-CG 4.02Å; L225-E227 PolarHBondContact O-N 3.09Å | ||
| 226 | L | 75.7 | Confident | 89 | Confident | 187 Ų | 187 | 69 Ų | 69 | 98% | 0.979 | 38% | 0.375 | S | S | * | . | trans | -83.6 | 78 | 179 | -163.2 | 74.9 | 0 | 0 | 0 | 110.5 | ||||
| 227 | E | 77.3 | Confident | 89.4 | Confident | 76 Ų | 76 | 69 Ų | 69 | 36% | 0.355 | 38% | 0.38 | S | S | . | . | trans | -113.8 | 158.3 | 176.7 | -76 | -163.4 | 162.9 | 0 | 0 | 113 | G109 L225 M229 | G109-E227 WeakPolarHBondContact CA-OE1 3.15Å; G109-E227 PolarHBondContact N-OE1 3.4Å; L225-E227 VanDerWaalsContact C-N 3.33Å; L225-E227 HydrophobicContact CD2-CG 3.7Å; L225-E227 HydrophobicContact CG-CG 4.02Å; L225-E227 PolarHBondContact O-N 3.09Å; E227-M229 HydrophobicContact CB-CE 3.35Å; E227-M229 PolarHBondContact O-N 2.59Å | ||
| 228 | K | 84.4 | Confident | 89.5 | Confident | 201 Ų | 201 | 68.3 Ų | 68.3 | 87% | 0.874 | 38% | 0.379 | S | S | * | . | trans | -72.1 | 101.8 | 177 | -173.8 | 177.2 | -178 | 175.9 | 0 | 110.2 | ||||
| 229 | M | 89.9 | Confident | 89.5 | Confident | 53 Ų | 53 | 73.8 Ų | 73.8 | 26% | 0.261 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 148.8 | 177.7 | -66.1 | -59.1 | 116.6 | 0 | 0 | 112.8 | W106 I222 E227 | W106-M229 HydrophobicContact CE3-CE 4.39Å; W106-M229 HydrophobicContact CE3-SD 3.87Å; I222-M229 HydrophobicContact CB-CE 4.2Å; I222-M229 HydrophobicContact CD1-CE 3.67Å; I222-M229 HydrophobicContact CD1-SD 4.46Å; I222-M229 HydrophobicContact CG1-CE 3.78Å; I222-M229 HydrophobicContact CG1-SD 4.05Å; E227-M229 HydrophobicContact CB-CE 3.35Å; E227-M229 PolarHBondContact O-N 2.59Å |
| 230 | P | 91 | Very high | 89.5 | Confident | 37 Ų | 37 | 74.1 Ų | 74.1 | 24% | 0.24 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 144 | 165.1 | -23.5 | 33.8 | 0 | 0 | 0 | 111.5 | W106 L217 A220 A232 | W106-P230 HydrophobicContact CB-CG 4.11Å; W106-P230 HydrophobicContact CG-CG 4.04Å; L217-P230 HydrophobicContact CD2-CB 3.74Å; L217-P230 HydrophobicContact CD2-CG 3.83Å; A220-P230 HydrophobicContact CB-CG 4.1Å; P230-A232 PolarHBondContact O-N 3.38Å |
| 231 | P | 90.7 | Very high | 89.5 | Confident | 111 Ų | 111 | 76.1 Ų | 76.1 | 72% | 0.721 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 134 | 178.7 | 27.6 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 232 | A | 93.2 | Very high | 89.5 | Confident | 59 Ų | 59 | 77 Ų | 77 | 49% | 0.488 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 140.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L218 P230 | L218-A232 CarbonylContact O-C 3.6Å; L218-A232 WeakPolarHBondContact O-CA 3.39Å; P230-A232 PolarHBondContact O-N 3.38Å |
| 233 | R | 92.5 | Very high | 89.5 | Confident | 132 Ų | 132 | 80 Ų | 80 | 50% | 0.498 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -103.1 | 157.9 | 177.2 | -61 | -168.4 | 178.1 | -163.2 | -2.9 | 110.5 | L217 L218 K235 A236 | L217-R233 VanDerWaalsContact O-CD 3.31Å; L217-R233 WeakPolarHBondContact O-CD 3.33Å; L218-R233 HydrophobicContact CD2-CB 4.32Å; L218-R233 PolarHBondContact O-N 3.09Å; R233-K235 PolarHBondContact O-N 2.83Å; R233-A236 VanDerWaalsContact O-CB 3.27Å; R233-A236 WeakPolarHBondContact O-CB 3.43Å; R233-A236 PolarHBondContact O-N 2.86Å |
| 234 | E | 91.3 | Very high | 89.2 | Confident | 68 Ų | 68 | 82.1 Ų | 82.1 | 32% | 0.318 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 26.3 | 172.7 | -57.3 | 179 | -170.7 | 0 | 0 | 113.7 | R209 A236 L260 Q267 | R209-E234 IonicContact CZ-OE1 2.9Å; R209-E234 VanDerWaalsContact CZ-OE1 3.26Å; R209-E234 IonicContact CZ-OE2 2.69Å; R209-E234 VanDerWaalsContact NH1-CD 3.26Å; R209-E234 IonicContact NH1-OE1 3.16Å; R209-E234 PolarHBondContact NH1-OE1 3.21Å; R209-E234 IonicContact NH1-OE2 2.71Å; R209-E234 PolarHBondContact NH1-OE2 3.07Å; R209-E234 IonicContact NH2-OE1 3.8Å; R209-E234 PolarHBondContact NH2-OE1 3.41Å; R209-E234 IonicContact NH2-OE2 3Å; E234-A236 PolarHBondContact O-N 2.86Å; E234-A236 VanDerWaalsContact O-N 3.1Å; E234-L260 HydrophobicContact CB-CD1 3.92Å; E234-Q267 WeakPolarHBondContact OE2-CG 3.28Å; E234-Q267 PolarHBondContact OE2-NE2 2.91Å |
| 235 | K | 92.8 | Very high | 88.9 | Confident | 173 Ų | 173 | 83.6 Ų | 83.6 | 75% | 0.752 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 25.2 | -175.3 | -55.4 | 173.5 | -179.1 | 176.9 | 0 | 112.9 | R233 P261 | R233-K235 PolarHBondContact O-N 2.83Å; K235-P261 HydrophobicContact CB-CG 3.79Å |
| 236 | A | 94.8 | Very high | 88.6 | Confident | 4 Ų | 4 | 86.8 Ų | 86.8 | 3% | 0.033 | 45% | 0.453 | C | S | . | . | trans | -66.6 | 140.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | R233 E234 L258 W259 L260 | R233-A236 VanDerWaalsContact O-CB 3.27Å; R233-A236 WeakPolarHBondContact O-CB 3.43Å; R233-A236 PolarHBondContact O-N 2.86Å; E234-A236 PolarHBondContact O-N 2.86Å; E234-A236 VanDerWaalsContact O-N 3.1Å; A236-L258 HydrophobicContact CB-CD1 4.12Å; A236-W259 WeakPolarHBondContact CA-O 3.33Å; A236-L260 HydrophobicContact CB-CD1 3.99Å | ||
| 237 | V | 95.4 | Very high | 88.6 | Confident | 70 Ų | 70 | 81 Ų | 81 | 42% | 0.424 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.6 | 176.7 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | W259 | V237-W259 HydrophobicContact CB-CE3 3.95Å; V237-W259 HydrophobicContact CG2-CE3 3.92Å; V237-W259 HydrophobicContact CG2-CZ3 4.09Å; V237-W259 PolarHBondContact N-O 3.49Å; V237-W259 PolarHBondContact O-N 3.31Å |
| 238 | A | 95.6 | Very high | 88.7 | Confident | 22 Ų | 22 | 80 Ų | 80 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 141.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L205 L219 A240 T257 L258 | L205-A238 HydrophobicContact CD2-CB 3.5Å; L219-A238 HydrophobicContact CD1-CB 3.76Å; L219-A238 HydrophobicContact CD2-CB 3.69Å; L219-A238 HydrophobicContact CG-CB 4.4Å; A238-A240 VanDerWaalsContact C-N 3.3Å; A238-A240 PolarHBondContact O-N 2.79Å; A238-T257 CarbonylContact C-O 3.56Å; A238-T257 VanDerWaalsContact CA-O 3.25Å; A238-T257 WeakPolarHBondContact CA-O 3.46Å; A238-L258 HydrophobicContact CB-CD1 4.34Å |
| 239 | F | 95.4 | Very high | 88.5 | Confident | 115 Ų | 115 | 77.8 Ų | 77.8 | 50% | 0.504 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 77.2 | 169.7 | -55 | -85.1 | 0 | 0 | 0 | 108.2 | N255 G256 T257 W259 | F239-N255 CarbonylContact O-C 3.55Å; F239-N255 WeakPolarHBondContact O-CB 3.48Å; F239-N255 PolarHBondContact O-OD1 2.89Å; F239-G256 PolarHBondContact O-N 2.91Å; F239-T257 WeakPolarHBondContact CB-OG1 3.25Å; F239-T257 VanDerWaalsContact CD2-OG1 3.28Å; F239-T257 WeakPolarHBondContact CD2-OG1 3.16Å; F239-T257 PolarHBondContact N-O 3.35Å; F239-W259 HydrophobicContact CE2-CB 4.01Å |
| 240 | A | 95.1 | Very high | 88.2 | Confident | 22 Ų | 22 | 76 Ų | 76 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 99.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F203 L205 P223 A238 N255 | F203-A240 HydrophobicContact CE2-CB 4.37Å; F203-A240 HydrophobicContact CZ-CB 4.24Å; L205-A240 HydrophobicContact CB-CB 4.4Å; L205-A240 HydrophobicContact CD2-CB 3.65Å; P223-A240 HydrophobicContact CG-CB 3.61Å; P223-A240 VanDerWaalsContact CG-O 3.26Å; P223-A240 WeakPolarHBondContact CG-O 3.27Å; A238-A240 VanDerWaalsContact C-N 3.3Å; A238-A240 PolarHBondContact O-N 2.79Å; A240-N255 VanDerWaalsContact CA-O 3.3Å; A240-N255 WeakPolarHBondContact CA-O 3.17Å |
| 241 | A | 94.9 | Very high | 88.2 | Confident | 50 Ų | 50 | 76.9 Ų | 76.9 | 41% | 0.413 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 158 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G254 N255 | A241-G254 CarbonylContact O-C 3.52Å; A241-G254 VanDerWaalsContact O-CA 3.27Å; A241-G254 WeakPolarHBondContact O-CA 3.37Å; A241-N255 PolarHBondContact N-O 3.15Å; A241-N255 VanDerWaalsContact N-O 3.09Å; A241-N255 PolarHBondContact O-N 2.72Å |
| 242 | W | 94.1 | Very high | 88.3 | Confident | 43 Ų | 43 | 72.4 Ų | 72.4 | 16% | 0.163 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 145.1 | 161.5 | -64.4 | 109.6 | 0 | 0 | 0 | 109.5 | F183 Y185 P200 P201 F203 W252 L277 | F183-W242 HydrophobicContact CD2-CH2 4.14Å; F183-W242 AromaticContact CD2-CZ3 3.99Å; F183-W242 HydrophobicContact CD2-CZ3 3.99Å; F183-W242 HydrophobicContact CE2-CD2 4.34Å; F183-W242 AromaticContact CE2-CE3 3.86Å; F183-W242 HydrophobicContact CE2-CE3 3.86Å; F183-W242 AromaticContact CE2-CH2 3.47Å; F183-W242 HydrophobicContact CE2-CH2 3.47Å; F183-W242 VanDerWaalsContact CE2-CH2 3.47Å; F183-W242 AromaticContact CE2-CZ2 3.96Å; F183-W242 HydrophobicContact CE2-CZ2 3.96Å; F183-W242 AromaticContact CE2-CZ3 3.4Å; F183-W242 HydrophobicContact CE2-CZ3 3.4Å; F183-W242 HydrophobicContact CZ-CE3 4.33Å; F183-W242 HydrophobicContact CZ-CH2 4.48Å; F183-W242 HydrophobicContact CZ-CZ3 4.3Å; Y185-W242 HydrophobicContact CD1-CH2 4.48Å; P200-W242 HydrophobicContact CB-CB 4.32Å; P200-W242 HydrophobicContact CB-CD2 3.65Å; P200-W242 HydrophobicContact CB-CE3 4.34Å; P200-W242 HydrophobicContact CB-CG 3.6Å; P200-W242 HydrophobicContact CB-CZ2 4.29Å; P200-W242 HydrophobicContact CG-CB 4.06Å; P200-W242 HydrophobicContact CG-CD2 4.34Å; P200-W242 HydrophobicContact CG-CG 3.75Å; P201-W242 HydrophobicContact CG-CZ2 4.23Å; P201-W242 WeakPolarHBondContact O-CZ2 3.33Å; P201-W242 PolarHBondContact O-NE1 2.9Å; F203-W242 HydrophobicContact CB-CZ2 4.25Å; F203-W242 HydrophobicContact CD1-CD2 4.4Å; F203-W242 AromaticContact CD1-CE2 3.62Å; F203-W242 AromaticContact CD1-CZ2 3.97Å; F203-W242 HydrophobicContact CD1-CZ2 3.97Å; F203-W242 AromaticContact CD1-NE1 3.34Å; F203-W242 VanDerWaalsContact CD1-NE1 3.34Å; F203-W242 AromaticContact CE1-CD1 3.93Å; F203-W242 HydrophobicContact CE1-CD2 4.44Å; F203-W242 HydrophobicContact CE1-CG 4.36Å; F203-W242 AromaticContact CE1-NE1 3.73Å; F203-W242 HydrophobicContact CG-CZ2 4.38Å; W242-W252 HydrophobicContact CD2-CB 4.38Å; W242-W252 HydrophobicContact CE3-CB 3.57Å; W242-W252 HydrophobicContact CH2-CB 4.43Å; W242-W252 HydrophobicContact CZ3-CB 3.61Å; W242-L277 HydrophobicContact CH2-CD2 4.5Å; W242-L277 HydrophobicContact CZ2-CD2 4.25Å |
| 243 | D | 91.9 | Very high | 88.4 | Confident | 74 Ų | 74 | 71.9 Ų | 71.9 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -79.9 | -36.2 | -177.3 | -59.9 | -50.6 | 0 | 0 | 0 | 112.6 | R182 T253 G254 | R182-D243 IonicContact CZ-OD1 3.55Å; R182-D243 IonicContact CZ-OD2 2.72Å; R182-D243 VanDerWaalsContact CZ-OD2 3.28Å; R182-D243 IonicContact NH1-OD1 3.45Å; R182-D243 PolarHBondContact NH1-OD1 3.44Å; R182-D243 IonicContact NH1-OD2 2.72Å; R182-D243 PolarHBondContact NH1-OD2 3.32Å; R182-D243 IonicContact NH2-OD1 3.56Å; R182-D243 PolarHBondContact NH2-OD1 3.35Å; R182-D243 IonicContact NH2-OD2 3.59Å; R182-D243 PolarHBondContact NH2-OD2 3.11Å; D243-T253 PolarHBondContact N-O 3.45Å; D243-T253 VanDerWaalsContact OD2-C 3.25Å; D243-T253 VanDerWaalsContact OD2-CB 3.32Å; D243-T253 WeakPolarHBondContact OD2-CB 3.24Å; D243-T253 PolarHBondContact OD2-OG1 2.84Å; D243-G254 PolarHBondContact OD2-N 3.16Å |
| 244 | D | 80.8 | Confident | 88.5 | Confident | 79 Ų | 79 | 65.6 Ų | 65.6 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | trans | -137.1 | 125.8 | 178.7 | -167.5 | -5.1 | 0 | 0 | 0 | 109 | N246 | D244-N246 VanDerWaalsContact OD1-CB 3.23Å; D244-N246 WeakPolarHBondContact OD1-CB 3.38Å; D244-N246 PolarHBondContact OD1-N 3.02Å; D244-N246 PolarHBondContact OD1-ND2 2.95Å | ||
| 245 | D | 71.3 | Confident | 88.8 | Confident | 117 Ų | 117 | 64.1 Ų | 64.1 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | trans | -110.6 | 4.3 | 177.6 | 62.6 | -16.3 | 0 | 0 | 0 | 112.5 | P200 | P200-D245 HydrophobicContact CG-CB 4.29Š| ||
| 246 | N | 71.8 | Confident | 89 | Confident | 129 Ų | 129 | 55.9 Ų | 55.9 | 69% | 0.69 | 31% | 0.305 | S | S | * | . | trans | -78.4 | -26.8 | -177.9 | -62.9 | -65.8 | 0 | 0 | 0 | 113 | D244 P248 | D244-N246 VanDerWaalsContact OD1-CB 3.23Å; D244-N246 WeakPolarHBondContact OD1-CB 3.38Å; D244-N246 PolarHBondContact OD1-N 3.02Å; D244-N246 PolarHBondContact OD1-ND2 2.95Å; N246-P248 VanDerWaalsContact O-CD 3.24Å; N246-P248 WeakPolarHBondContact O-CD 3.32Å | ||
| 247 | D | 76.6 | Confident | 89.2 | Confident | 67 Ų | 67 | 56.3 Ų | 56.3 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | trans | -79.8 | 115 | 176.5 | -164.5 | -32.7 | 0 | 0 | 0 | 110.2 | W249 G250 W252 | D247-W249 VanDerWaalsContact C-N 3.26Å; D247-W249 PolarHBondContact O-N 3.48Å; D247-W249 PolarHBondContact OD1-N 2.84Å; D247-G250 PolarHBondContact OD1-N 2.99Å; D247-G250 VanDerWaalsContact OD1-N 3.14Å; D247-W252 PolarHBondContact O-NE1 2.85Å | ||
| 248 | P | 78.9 | Confident | 89.3 | Confident | 53 Ų | 53 | 53 Ų | 53 | 34% | 0.344 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -73.6 | -16.2 | -179.7 | -15.2 | 31.6 | 0 | 0 | 0 | 114.1 | A197 N246 | A197-P248 HydrophobicContact CB-CB 4Å; N246-P248 VanDerWaalsContact O-CD 3.24Å; N246-P248 WeakPolarHBondContact O-CD 3.32Å |
| 249 | W | 80 | Confident | 89.4 | Confident | 156 Ų | 156 | 55.6 Ų | 55.6 | 59% | 0.591 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -116.6 | -14.8 | -169 | -54.9 | 104.9 | 0 | 0 | 0 | 113.1 | P187 D247 | P187-W249 WeakPolarHBondContact CG-O 3.35Å; D247-W249 VanDerWaalsContact C-N 3.26Å; D247-W249 PolarHBondContact O-N 3.48Å; D247-W249 PolarHBondContact OD1-N 2.84Å |
| 250 | G | 83.7 | Confident | 89.4 | Confident | 15 Ų | 15 | 50.1 Ų | 50.1 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | trans | 74.1 | -174.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D247 W252 | D247-G250 PolarHBondContact OD1-N 2.99Å; D247-G250 VanDerWaalsContact OD1-N 3.14Å; G250-W252 VanDerWaalsContact CA-CE2 3.46Å; G250-W252 VanDerWaalsContact N-CZ2 3.33Å | ||
| 251 | P | 90.9 | Very high | 89.4 | Confident | 55 Ų | 55 | 50.2 Ų | 50.2 | 36% | 0.357 | 27% | 0.267 | S | S | . | . | cis | -69.9 | 156.7 | 7.5 | 30.3 | -36.7 | 0 | 0 | 0 | 113.5 | A73 Y185 A186 | A73-P251 HydrophobicContact CB-CB 3.8Å; A73-P251 HydrophobicContact CB-CG 4.34Å; Y185-P251 WeakPolarHBondContact O-CA 3.31Å; Y185-P251 WeakPolarHBondContact O-CB 3.28Å; A186-P251 HydrophobicContact CB-CB 4Å | ||
| 252 | W | 93 | Very high | 89.4 | Confident | 17 Ų | 17 | 50.7 Ų | 50.7 | 6% | 0.064 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 148.3 | 178.8 | -54.5 | -81.2 | 0 | 0 | 0 | 111.6 | A184 Y185 P187 P200 W242 D247 G250 | A184-W252 CarbonylContact C-O 3.57Å; A184-W252 VanDerWaalsContact CA-O 3.26Å; A184-W252 WeakPolarHBondContact CA-O 3.05Å; Y185-W252 AromaticContact CD1-CE3 3.8Å; Y185-W252 HydrophobicContact CD1-CE3 3.8Å; Y185-W252 AromaticContact CD1-CZ3 3.9Å; Y185-W252 HydrophobicContact CD1-CZ3 3.9Å; Y185-W252 HydrophobicContact CE1-CE3 4.35Å; Y185-W252 AromaticContact CE1-CZ3 3.97Å; Y185-W252 HydrophobicContact CE1-CZ3 3.97Å; Y185-W252 PolarHBondContact N-O 3.45Å; Y185-W252 PolarHBondContact O-N 2.87Å; P187-W252 HydrophobicContact CB-CZ3 4.33Å; P187-W252 HydrophobicContact CG-CH2 4.12Å; P187-W252 HydrophobicContact CG-CZ3 3.78Å; P200-W252 HydrophobicContact CB-CB 4.24Å; P200-W252 HydrophobicContact CB-CD2 3.81Å; P200-W252 HydrophobicContact CB-CE3 4.45Å; P200-W252 HydrophobicContact CB-CG 3.7Å; W242-W252 HydrophobicContact CD2-CB 4.38Å; W242-W252 HydrophobicContact CE3-CB 3.57Å; W242-W252 HydrophobicContact CH2-CB 4.43Å; W242-W252 HydrophobicContact CZ3-CB 3.61Å; D247-W252 PolarHBondContact O-NE1 2.85Å; G250-W252 VanDerWaalsContact CA-CE2 3.46Å; G250-W252 VanDerWaalsContact N-CZ2 3.33Å |
| 253 | T | 95.8 | Very high | 89.4 | Confident | 49 Ų | 49 | 48.6 Ų | 48.6 | 30% | 0.301 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 149.1 | 169.9 | 63.7 | 0 | 0 | 0 | 0 | 110.2 | M75 F183 A184 D243 | M75-T253 HydrophobicContact CE-CG2 4.46Å; F183-T253 CarbonylContact O-C 3.54Å; F183-T253 WeakPolarHBondContact O-CA 3.44Å; A184-T253 HydrophobicContact CB-CG2 3.95Å; D243-T253 PolarHBondContact N-O 3.45Å; D243-T253 VanDerWaalsContact OD2-C 3.25Å; D243-T253 VanDerWaalsContact OD2-CB 3.32Å; D243-T253 WeakPolarHBondContact OD2-CB 3.24Å; D243-T253 PolarHBondContact OD2-OG1 2.84Å |
| 254 | G | 95.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 165.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F183 A241 D243 | F183-G254 VanDerWaalsContact CE1-C 3.45Å; F183-G254 PolarHBondContact N-O 3.31Å; F183-G254 PolarHBondContact O-N 3.05Å; A241-G254 CarbonylContact O-C 3.52Å; A241-G254 VanDerWaalsContact O-CA 3.27Å; A241-G254 WeakPolarHBondContact O-CA 3.37Å; D243-G254 PolarHBondContact OD2-N 3.16Å |
| 255 | N | 96.9 | Very high | 90 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 20% | 0.198 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.6 | 177.9 | -163.7 | -25.7 | 0 | 0 | 0 | 109.5 | L181 F183 F239 A240 A241 T257 | L181-N255 PolarHBondContact O-OD1 2.69Å; F183-N255 WeakPolarHBondContact CE1-O 3.47Å; F239-N255 CarbonylContact O-C 3.55Å; F239-N255 WeakPolarHBondContact O-CB 3.48Å; F239-N255 PolarHBondContact O-OD1 2.89Å; A240-N255 VanDerWaalsContact CA-O 3.3Å; A240-N255 WeakPolarHBondContact CA-O 3.17Å; A241-N255 PolarHBondContact N-O 3.15Å; A241-N255 VanDerWaalsContact N-O 3.09Å; A241-N255 PolarHBondContact O-N 2.72Å; N255-T257 VanDerWaalsContact OD1-CB 3.3Å; N255-T257 WeakPolarHBondContact OD1-CB 3.34Å; N255-T257 WeakPolarHBondContact OD1-CG2 3.05Å; N255-T257 PolarHBondContact OD1-N 3.5Å; N255-T257 PolarHBondContact OD1-OG1 2.92Å |
| 256 | G | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 25.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L181 W207 F239 L258 | L181-G256 WeakPolarHBondContact CD2-O 3.06Å; L181-G256 PolarHBondContact O-N 3.47Å; W207-G256 PolarHBondContact NE1-O 2.73Å; F239-G256 PolarHBondContact O-N 2.91Å; G256-L258 PolarHBondContact O-N 3.42Å |
| 257 | T | 97.9 | Very high | 91.7 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 134.7 | -178.6 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | L179 A238 F239 N255 | L179-T257 CarbonylContact O-C 3.59Å; L179-T257 VanDerWaalsContact O-CA 3.28Å; L179-T257 WeakPolarHBondContact O-CA 3.26Å; A238-T257 CarbonylContact C-O 3.56Å; A238-T257 VanDerWaalsContact CA-O 3.25Å; A238-T257 WeakPolarHBondContact CA-O 3.46Å; F239-T257 WeakPolarHBondContact CB-OG1 3.25Å; F239-T257 VanDerWaalsContact CD2-OG1 3.28Å; F239-T257 WeakPolarHBondContact CD2-OG1 3.16Å; F239-T257 PolarHBondContact N-O 3.35Å; N255-T257 VanDerWaalsContact OD1-CB 3.3Å; N255-T257 WeakPolarHBondContact OD1-CB 3.34Å; N255-T257 WeakPolarHBondContact OD1-CG2 3.05Å; N255-T257 PolarHBondContact OD1-N 3.5Å; N255-T257 PolarHBondContact OD1-OG1 2.92Å |
| 258 | L | 97.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130.7 | 177.2 | -171.5 | 75.4 | 0 | 0 | 0 | 110.3 | V178 L179 W207 L218 L219 A236 A238 G256 Y271 | V178-L258 CarbonylContact C-O 3.57Å; V178-L258 WeakPolarHBondContact CA-O 3.43Å; L179-L258 HydrophobicContact CB-CB 4.15Å; L179-L258 HydrophobicContact CD1-CB 4.47Å; L179-L258 HydrophobicContact CD1-CD2 3.9Å; L179-L258 HydrophobicContact CG-CB 4.46Å; L179-L258 PolarHBondContact N-O 2.81Å; L179-L258 PolarHBondContact O-N 3.2Å; W207-L258 HydrophobicContact CB-CD1 4.19Å; W207-L258 HydrophobicContact CB-CD2 4.29Å; W207-L258 HydrophobicContact CD2-CB 3.83Å; W207-L258 HydrophobicContact CD2-CD1 4.31Å; W207-L258 HydrophobicContact CD2-CD2 3.89Å; W207-L258 HydrophobicContact CD2-CG 4.23Å; W207-L258 HydrophobicContact CE3-CB 4.31Å; W207-L258 HydrophobicContact CE3-CD2 3.93Å; W207-L258 HydrophobicContact CG-CB 4.24Å; W207-L258 HydrophobicContact CG-CD1 3.85Å; W207-L258 HydrophobicContact CG-CD2 4.07Å; W207-L258 HydrophobicContact CG-CG 4.28Å; W207-L258 HydrophobicContact CH2-CB 4.19Å; W207-L258 HydrophobicContact CZ2-CB 3.71Å; W207-L258 HydrophobicContact CZ3-CB 4.47Å; L218-L258 HydrophobicContact CD1-CD2 4.45Å; L219-L258 HydrophobicContact CB-CD1 4.27Å; L219-L258 HydrophobicContact CD1-CD1 4.21Å; A236-L258 HydrophobicContact CB-CD1 4.12Å; A238-L258 HydrophobicContact CB-CD1 4.34Å; G256-L258 PolarHBondContact O-N 3.42Å; L258-Y271 HydrophobicContact CD2-CD1 4.29Å; L258-Y271 HydrophobicContact CD2-CE1 4.27Å |
| 259 | W | 97.4 | Very high | 93.1 | Very high | 78 Ų | 78 | 33.6 Ų | 33.6 | 30% | 0.295 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122.4 | 167.3 | 177.8 | 78.1 | 0 | 0 | 0 | 110 | D176 A177 A236 V237 F239 P261 | D176-W259 WeakPolarHBondContact OD2-CZ2 3.32Å; D176-W259 PolarHBondContact OD2-NE1 2.93Å; A177-W259 WeakPolarHBondContact O-CA 3.37Å; A236-W259 WeakPolarHBondContact CA-O 3.33Å; V237-W259 HydrophobicContact CB-CE3 3.95Å; V237-W259 HydrophobicContact CG2-CE3 3.92Å; V237-W259 HydrophobicContact CG2-CZ3 4.09Å; V237-W259 PolarHBondContact N-O 3.49Å; V237-W259 PolarHBondContact O-N 3.31Å; F239-W259 HydrophobicContact CE2-CB 4.01Å; W259-P261 HydrophobicContact CE3-CG 4.47Å; W259-P261 HydrophobicContact CH2-CB 3.63Å; W259-P261 HydrophobicContact CH2-CG 4.01Å; W259-P261 HydrophobicContact CZ2-CB 3.81Å; W259-P261 HydrophobicContact CZ3-CB 4.06Å; W259-P261 HydrophobicContact CZ3-CG 3.93Å |
| 260 | L | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 112.4 | 178.2 | -172.9 | 68.2 | 0 | 0 | 0 | 109.3 | D176 A177 E234 A236 V263 Q267 Y271 L288 | D176-L260 CarbonylContact C-O 3.58Å; D176-L260 WeakPolarHBondContact CA-O 3.49Å; A177-L260 HydrophobicContact CB-CB 4.33Å; A177-L260 PolarHBondContact N-O 3.46Å; A177-L260 PolarHBondContact O-N 2.97Å; E234-L260 HydrophobicContact CB-CD1 3.92Å; A236-L260 HydrophobicContact CB-CD1 3.99Å; L260-V263 HydrophobicContact CB-CG2 4.36Å; L260-V263 HydrophobicContact CD2-CG2 4Å; L260-V263 HydrophobicContact CG-CG2 4.14Å; L260-Q267 HydrophobicContact CD2-CB 4.31Å; L260-Y271 HydrophobicContact CD2-CE1 4.36Å; L260-Y271 VanDerWaalsContact CD2-OH 3.25Å; L260-Y271 WeakPolarHBondContact CD2-OH 3.33Å; L260-L288 HydrophobicContact CD2-CD2 4.42Å |
| 261 | P | 95.6 | Very high | 94.4 | Very high | 24 Ų | 24 | 27.9 Ų | 27.9 | 16% | 0.156 | 17% | 0.171 | C | C | . | . | trans | -75.7 | 147.1 | -175.3 | 26.9 | -32.3 | 0 | 0 | 0 | 113 | D176 K235 W259 V263 | D176-P261 WeakPolarHBondContact OD1-CA 3.46Å; K235-P261 HydrophobicContact CB-CG 3.79Å; W259-P261 HydrophobicContact CE3-CG 4.47Å; W259-P261 HydrophobicContact CH2-CB 3.63Å; W259-P261 HydrophobicContact CH2-CG 4.01Å; W259-P261 HydrophobicContact CZ2-CB 3.81Å; W259-P261 HydrophobicContact CZ3-CB 4.06Å; W259-P261 HydrophobicContact CZ3-CG 3.93Å; P261-V263 PolarHBondContact O-N 3.24Å | ||
| 262 | A | 94.4 | Very high | 94.6 | Very high | 59 Ų | 59 | 26.6 Ų | 26.6 | 49% | 0.488 | 16% | 0.161 | S | C | . | . | S | Bend | trans | 44.5 | 62.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D176 S264 | D176-A262 PolarHBondContact OD1-N 2.95Å; A262-S264 PolarHBondContact O-N 3.33Å |
| 263 | V | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -63 | 131.1 | -170.6 | -178 | 0 | 0 | 0 | 0 | 112.5 | I171 G174 K175 A177 L260 P261 Q267 L288 V290 | I171-V263 HydrophobicContact CG2-CB 4.41Å; I171-V263 HydrophobicContact CG2-CG2 4.43Å; G174-V263 PolarHBondContact N-O 3.33Å; K175-V263 PolarHBondContact O-N 2.95Å; A177-V263 HydrophobicContact CB-CG2 3.53Å; L260-V263 HydrophobicContact CB-CG2 4.36Å; L260-V263 HydrophobicContact CD2-CG2 4Å; L260-V263 HydrophobicContact CG-CG2 4.14Å; P261-V263 PolarHBondContact O-N 3.24Å; V263-Q267 VanDerWaalsContact CA-OE1 3.24Å; V263-Q267 HydrophobicContact CG1-CB 4.21Å; V263-L288 HydrophobicContact CG1-CD2 4.19Å; V263-V290 HydrophobicContact CG1-CG2 3.49Å; V263-V290 VanDerWaalsContact CG1-CG2 3.49Å | ||
| 264 | S | 92.5 | Very high | 94.9 | Very high | 34 Ų | 34 | 23.6 Ų | 23.6 | 24% | 0.238 | 14% | 0.144 | C | C | . | . | trans | -112.9 | 162.2 | 176.6 | 77 | 0 | 0 | 0 | 0 | 112.3 | A262 S266 Q267 | A262-S264 PolarHBondContact O-N 3.33Å; S264-S266 PolarHBondContact O-N 3.16Å; S264-S266 VanDerWaalsContact O-N 3.12Å; S264-S266 PolarHBondContact OG-OG 3.07Å; S264-Q267 WeakPolarHBondContact O-CB 2.96Å; S264-Q267 PolarHBondContact O-N 3.38Å | ||
| 265 | P | 91.3 | Very high | 95 | Very high | 20 Ų | 20 | 23.6 Ų | 23.6 | 13% | 0.13 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -54.3 | -30.8 | 176.9 | -31.7 | 39.8 | 0 | 0 | 0 | 114.9 | L173 Q267 E268 Y323 | L173-P265 HydrophobicContact CD1-CG 3.77Å; P265-Q267 PolarHBondContact O-N 2.8Å; P265-Q267 VanDerWaalsContact O-N 3.14Å; P265-E268 PolarHBondContact O-N 2.98Å; P265-Y323 HydrophobicContact CB-CD2 4.38Å; P265-Y323 HydrophobicContact CB-CE1 4.31Å; P265-Y323 HydrophobicContact CB-CE2 3.69Å; P265-Y323 HydrophobicContact CG-CD1 4.48Å; P265-Y323 HydrophobicContact CG-CD2 3.85Å; P265-Y323 HydrophobicContact CG-CE1 4.33Å; P265-Y323 HydrophobicContact CG-CE2 3.68Å; P265-Y323 HydrophobicContact CG-CG 4.27Å |
| 266 | S | 88.9 | Confident | 94.9 | Very high | 84 Ų | 84 | 22.2 Ų | 22.2 | 59% | 0.587 | 14% | 0.137 | S | C | * | . | G | 310 helix | trans | -66.7 | -14 | 177.2 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | S264 | S264-S266 PolarHBondContact O-N 3.16Å; S264-S266 VanDerWaalsContact O-N 3.12Å; S264-S266 PolarHBondContact OG-OG 3.07Å |
| 267 | Q | 91.5 | Very high | 94.7 | Very high | 15 Ų | 15 | 22.4 Ų | 22.4 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -96.3 | -2.3 | -179.3 | -59.9 | 174.5 | -67.6 | 0 | 0 | 112.7 | R209 E234 L260 V263 S264 P265 Y271 | R209-Q267 WeakPolarHBondContact CD-O 3.3Å; E234-Q267 WeakPolarHBondContact OE2-CG 3.28Å; E234-Q267 PolarHBondContact OE2-NE2 2.91Å; L260-Q267 HydrophobicContact CD2-CB 4.31Å; V263-Q267 VanDerWaalsContact CA-OE1 3.24Å; V263-Q267 HydrophobicContact CG1-CB 4.21Å; S264-Q267 WeakPolarHBondContact O-CB 2.96Å; S264-Q267 PolarHBondContact O-N 3.38Å; P265-Q267 PolarHBondContact O-N 2.8Å; P265-Q267 VanDerWaalsContact O-N 3.14Å; Q267-Y271 VanDerWaalsContact O-CE2 3.3Å; Q267-Y271 WeakPolarHBondContact O-CE2 3.44Å; Q267-Y271 PolarHBondContact O-OH 2.77Å |
| 268 | E | 91.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 23.7 Ų | 23.7 | 17% | 0.168 | 15% | 0.146 | C | C | . | . | trans | -63.2 | 155.7 | 174.1 | -70.8 | -170.1 | 148.3 | 0 | 0 | 113.2 | H211 P265 V290 Y323 | H211-E268 PolarHBondContact ND1-O 3.04Å; P265-E268 PolarHBondContact O-N 2.98Å; E268-V290 HydrophobicContact CG-CB 3.96Å; E268-V290 HydrophobicContact CG-CG2 3.63Å; E268-V290 WeakPolarHBondContact OE1-CA 3.41Å; E268-V290 VanDerWaalsContact OE1-CB 3.28Å; E268-V290 WeakPolarHBondContact OE1-CB 3.41Å; E268-V290 PolarHBondContact OE1-N 3.36Å; E268-Y323 VanDerWaalsContact OE1-CE1 3.31Å; E268-Y323 WeakPolarHBondContact OE1-CE1 3.41Å; E268-Y323 PolarHBondContact OE2-OH 2.82Å; E268-Y323 VanDerWaalsContact OE2-OH 3.1Å | ||
| 269 | G | 92.4 | Very high | 94 | Very high | 15 Ų | 15 | 24.6 Ų | 24.6 | 16% | 0.155 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.6 | -160.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y271 L288 | G269-Y271 WeakPolarHBondContact O-CD2 3.34Å; G269-L288 PolarHBondContact N-O 3.01Å; G269-L288 VanDerWaalsContact N-O 3.14Å; G269-L288 PolarHBondContact O-N 3.12Å |
| 270 | V | 94.9 | Very high | 93.9 | Very high | 51 Ų | 51 | 21 Ų | 21 | 31% | 0.309 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 120.3 | -175.4 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | R209 Q210 L272 L286 | R209-V270 CarbonylContact C-O 3.52Å; R209-V270 WeakPolarHBondContact CA-O 3.4Å; Q210-V270 PolarHBondContact N-O 3.14Å; Q210-V270 PolarHBondContact O-N 2.68Å; Q210-V270 VanDerWaalsContact O-N 3.13Å; V270-L272 HydrophobicContact CG1-CD2 4.26Å; V270-L286 CarbonylContact C-O 3.52Å; V270-L286 WeakPolarHBondContact CA-O 3.26Å |
| 271 | Y | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 132.1 | 172.9 | -75.6 | -111.8 | 0 | 0 | 0 | 109.1 | L179 W207 R208 R209 L218 L258 L260 Q267 G269 S285 L286 L288 | L179-Y271 HydrophobicContact CD1-CD1 3.48Å; L179-Y271 VanDerWaalsContact CD1-CD1 3.48Å; L179-Y271 HydrophobicContact CD1-CD2 4.5Å; L179-Y271 HydrophobicContact CD1-CE1 3.87Å; L179-Y271 HydrophobicContact CD1-CG 3.83Å; W207-Y271 HydrophobicContact CE3-CD1 4.29Å; W207-Y271 HydrophobicContact CZ3-CD1 4.48Å; R208-Y271 CarbonylContact O-C 3.57Å; R208-Y271 WeakPolarHBondContact O-CA 3.48Å; R209-Y271 HydrophobicContact CB-CD1 4.45Å; R209-Y271 HydrophobicContact CB-CE1 4.29Å; R209-Y271 HydrophobicContact CB-CE2 4.42Å; R209-Y271 HydrophobicContact CG-CD2 4.24Å; R209-Y271 HydrophobicContact CG-CE2 3.88Å; R209-Y271 PolarHBondContact NH1-OH 3.03Å; L218-Y271 HydrophobicContact CD1-CD1 3.83Å; L218-Y271 HydrophobicContact CD1-CE1 3.32Å; L258-Y271 HydrophobicContact CD2-CD1 4.29Å; L258-Y271 HydrophobicContact CD2-CE1 4.27Å; L260-Y271 HydrophobicContact CD2-CE1 4.36Å; L260-Y271 VanDerWaalsContact CD2-OH 3.25Å; L260-Y271 WeakPolarHBondContact CD2-OH 3.33Å; Q267-Y271 VanDerWaalsContact O-CE2 3.3Å; Q267-Y271 WeakPolarHBondContact O-CE2 3.44Å; Q267-Y271 PolarHBondContact O-OH 2.77Å; G269-Y271 WeakPolarHBondContact O-CD2 3.34Å; Y271-S285 CarbonylContact O-C 3.57Å; Y271-S285 WeakPolarHBondContact O-CA 3.13Å; Y271-L286 PolarHBondContact N-O 3.03Å; Y271-L286 PolarHBondContact O-N 2.94Å; Y271-L288 HydrophobicContact CD2-CB 3.73Å; Y271-L288 HydrophobicContact CD2-CD2 4.34Å; Y271-L288 HydrophobicContact CE2-CB 3.62Å; Y271-L288 HydrophobicContact CE2-CD2 3.51Å; Y271-L288 HydrophobicContact CE2-CG 4.19Å |
| 272 | L | 95.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 23.5 Ų | 23.5 | 14% | 0.141 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.6 | 175.9 | -60.1 | 171.6 | 0 | 0 | 0 | 107.8 | W207 R208 V270 V284 | W207-L272 WeakPolarHBondContact CA-O 3.36Å; R208-L272 HydrophobicContact CB-CB 4.4Å; R208-L272 PolarHBondContact N-O 2.75Å; R208-L272 PolarHBondContact O-N 3Å; V270-L272 HydrophobicContact CG1-CD2 4.26Å; L272-V284 WeakPolarHBondContact CA-O 3.47Å |
| 273 | A | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L181 E206 W207 Q283 V284 | L181-A273 HydrophobicContact CD1-CB 3.63Å; L181-A273 HydrophobicContact CD2-CB 3.77Å; L181-A273 HydrophobicContact CG-CB 4.29Å; E206-A273 CarbonylContact O-C 3.51Å; E206-A273 WeakPolarHBondContact O-CA 3.28Å; W207-A273 HydrophobicContact CD2-CB 3.91Å; W207-A273 HydrophobicContact CE3-CB 3.84Å; W207-A273 HydrophobicContact CH2-CB 3.67Å; W207-A273 HydrophobicContact CZ2-CB 3.71Å; W207-A273 HydrophobicContact CZ3-CB 3.73Å; A273-Q283 CarbonylContact O-C 3.59Å; A273-Q283 VanDerWaalsContact O-CA 3.29Å; A273-Q283 WeakPolarHBondContact O-CA 3.47Å; A273-V284 HydrophobicContact CB-CG2 3.95Å; A273-V284 PolarHBondContact N-O 3.47Å; A273-V284 PolarHBondContact O-N 2.89Å |
| 274 | T | 97.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.7 | 179.9 | -48.8 | 0 | 0 | 0 | 0 | 109.6 | E206 Q281 G282 Q283 | E206-T274 PolarHBondContact N-O 2.89Å; E206-T274 PolarHBondContact O-N 2.99Å; T274-Q281 HydrophobicContact CG2-CB 4.19Å; T274-G282 CarbonylContact C-O 3.56Å; T274-G282 VanDerWaalsContact CA-O 3.32Å; T274-G282 WeakPolarHBondContact CA-O 3.37Å; T274-Q283 HydrophobicContact CG2-CB 4.35Å; T274-Q283 WeakPolarHBondContact OG1-CG 3.41Å; T274-Q283 PolarHBondContact OG1-OE1 2.83Å |
| 275 | V | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.8 | 170.4 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | V162 L181 F183 F203 G204 L205 Q281 G282 | V162-V275 HydrophobicContact CG1-CG2 4.06Å; V162-V275 HydrophobicContact CG2-CB 3.88Å; V162-V275 HydrophobicContact CG2-CG2 3.96Å; L181-V275 HydrophobicContact CD2-CG2 4.25Å; F183-V275 HydrophobicContact CB-CG2 4.15Å; F183-V275 HydrophobicContact CD1-CG1 4.42Å; F183-V275 HydrophobicContact CD1-CG2 3.97Å; F183-V275 HydrophobicContact CD2-CG1 3.95Å; F183-V275 HydrophobicContact CE2-CG1 4.2Å; F183-V275 HydrophobicContact CG-CG1 4.07Å; F183-V275 HydrophobicContact CG-CG2 4.06Å; F203-V275 HydrophobicContact CD2-CG1 4.27Å; G204-V275 CarbonylContact O-C 3.57Å; G204-V275 WeakPolarHBondContact O-CA 3.48Å; L205-V275 HydrophobicContact CD1-CG2 4.45Å; V275-Q281 VanDerWaalsContact O-CA 3.32Å; V275-Q281 WeakPolarHBondContact O-CA 3.37Å; V275-G282 PolarHBondContact N-O 2.86Å; V275-G282 PolarHBondContact O-N 3.23Å |
| 276 | H | 95.7 | Very high | 94.5 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 3% | 0.032 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.2 | 179 | -63.5 | -84.6 | 0 | 0 | 0 | 109.3 | W106 L110 F203 G204 E206 | W106-H276 AromaticContact CH2-CD2 3.73Å; W106-H276 AromaticContact CZ2-CD2 3.99Å; L110-H276 HydrophobicContact CD1-CB 3.58Å; F203-H276 CarbonylContact C-O 3.57Å; F203-H276 VanDerWaalsContact CA-O 3.28Å; F203-H276 WeakPolarHBondContact CA-O 3.36Å; F203-H276 WeakPolarHBondContact CB-O 3.38Å; G204-H276 PolarHBondContact N-O 2.84Å; G204-H276 PolarHBondContact O-N 3.1Å; E206-H276 IonicContact OE2-CE1 2.95Å; E206-H276 IonicContact OE2-NE2 3.67Å; E206-H276 PolarHBondContact OE2-NE2 2.91Å |
| 277 | L | 92.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 169.8 | 167.4 | -78.5 | 169.7 | 0 | 0 | 0 | 107.9 | L160 Y185 P201 F203 W242 Y279 L280 | L160-L277 HydrophobicContact CD1-CD1 3.74Å; L160-L277 HydrophobicContact CD2-CD1 4.22Å; L160-L277 HydrophobicContact CG-CD1 4.43Å; Y185-L277 HydrophobicContact CD1-CD1 4.36Å; Y185-L277 HydrophobicContact CD2-CD1 3.46Å; Y185-L277 VanDerWaalsContact CD2-CD1 3.46Å; Y185-L277 HydrophobicContact CE2-CD1 4.02Å; Y185-L277 HydrophobicContact CG-CD1 3.66Å; P201-L277 HydrophobicContact CG-CD2 3.98Å; F203-L277 HydrophobicContact CB-CD2 3.83Å; W242-L277 HydrophobicContact CH2-CD2 4.5Å; W242-L277 HydrophobicContact CZ2-CD2 4.25Å; L277-Y279 PolarHBondContact O-N 3.37Å; L277-L280 HydrophobicContact CB-CB 4.07Å; L277-L280 PolarHBondContact N-O 2.8Å; L277-L280 PolarHBondContact O-N 2.77Å; L277-L280 VanDerWaalsContact O-N 3.09Å |
| 278 | P | 89.9 | Confident | 94.9 | Very high | 39 Ų | 39 | 26.2 Ų | 26.2 | 25% | 0.253 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 113.8 | 175.9 | -25.8 | 34.7 | 0 | 0 | 0 | 110.9 | L110 L280 | L110-P278 WeakPolarHBondContact O-CG 3.21Å; P278-L280 PolarHBondContact O-N 3.31Å |
| 279 | Y | 90.8 | Very high | 95.1 | Very high | 19 Ų | 19 | 26.8 Ų | 26.8 | 8% | 0.075 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | -0.3 | -177 | -49.8 | -95.3 | 0 | 0 | 0 | 117 | Y97 P99 F100 P101 Q113 N115 L120 L277 | Y97-Y279 PolarHBondContact OH-O 3.3Å; P99-Y279 CarbonylContact C-O 3.58Å; P99-Y279 VanDerWaalsContact CA-O 3.31Å; P99-Y279 WeakPolarHBondContact CA-O 3.39Å; F100-Y279 PolarHBondContact N-O 2.62Å; F100-Y279 CarbonylContact O-C 3.5Å; P101-Y279 HydrophobicContact CG-CD1 3.79Å; P101-Y279 HydrophobicContact CG-CE1 3.71Å; Q113-Y279 PolarHBondContact O-OH 3.46Å; N115-Y279 PolarHBondContact O-OH 3.3Å; L120-Y279 VanDerWaalsContact CD1-CB 3.44Å; L120-Y279 HydrophobicContact CD1-CD2 3.66Å; L120-Y279 HydrophobicContact CD1-CG 3.63Å; L277-Y279 PolarHBondContact O-N 3.37Å |
| 280 | L | 94.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140 | -175.9 | -58.7 | 179.6 | 0 | 0 | 0 | 109.7 | Y97 P99 L120 W124 L139 V159 L160 Y185 L277 P278 | Y97-L280 HydrophobicContact CE1-CD2 3.92Å; Y97-L280 WeakPolarHBondContact OH-CA 3.25Å; P99-L280 HydrophobicContact CB-CD2 4.25Å; P99-L280 HydrophobicContact CG-CD2 4.38Å; L120-L280 HydrophobicContact CD2-CD1 4.45Å; L120-L280 HydrophobicContact CD2-CD2 4.25Å; L120-L280 HydrophobicContact CD2-CG 4.44Å; W124-L280 HydrophobicContact CE3-CD2 4.25Å; W124-L280 HydrophobicContact CH2-CD1 4.23Å; W124-L280 HydrophobicContact CH2-CD2 3.98Å; W124-L280 HydrophobicContact CZ3-CD1 4.29Å; W124-L280 HydrophobicContact CZ3-CD2 3.81Å; L139-L280 HydrophobicContact CD1-CB 3.96Å; L139-L280 HydrophobicContact CD1-CD2 4.03Å; L139-L280 HydrophobicContact CD1-CG 4.46Å; V159-L280 HydrophobicContact CG1-CD1 3.9Å; L160-L280 HydrophobicContact CD2-CB 4.48Å; Y185-L280 HydrophobicContact CE2-CD1 4.19Å; L277-L280 HydrophobicContact CB-CB 4.07Å; L277-L280 PolarHBondContact N-O 2.8Å; L277-L280 PolarHBondContact O-N 2.77Å; L277-L280 VanDerWaalsContact O-N 3.09Å; P278-L280 PolarHBondContact O-N 3.31Å |
| 281 | Q | 95.8 | Very high | 95.3 | Very high | 75 Ų | 75 | 25 Ų | 25 | 35% | 0.35 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 135.1 | 172.9 | 65.3 | -179.4 | 9.4 | 0 | 0 | 111 | Y97 T274 V275 | Y97-Q281 HydrophobicContact CE2-CG 4.42Å; Y97-Q281 PolarHBondContact OH-N 2.76Å; T274-Q281 HydrophobicContact CG2-CB 4.19Å; V275-Q281 VanDerWaalsContact O-CA 3.32Å; V275-Q281 WeakPolarHBondContact O-CA 3.37Å |
| 282 | G | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | T274 V275 | T274-G282 CarbonylContact C-O 3.56Å; T274-G282 VanDerWaalsContact CA-O 3.32Å; T274-G282 WeakPolarHBondContact CA-O 3.37Å; V275-G282 PolarHBondContact N-O 2.86Å; V275-G282 PolarHBondContact O-N 3.23Å |
| 283 | Q | 96.6 | Very high | 95.3 | Very high | 93 Ų | 93 | 28 Ų | 28 | 44% | 0.435 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.1 | -177.2 | -175.2 | -179.1 | -79.4 | 0 | 0 | 111.4 | S137 A273 T274 | S137-Q283 WeakPolarHBondContact CB-O 3.45Å; A273-Q283 CarbonylContact O-C 3.59Å; A273-Q283 VanDerWaalsContact O-CA 3.29Å; A273-Q283 WeakPolarHBondContact O-CA 3.47Å; T274-Q283 HydrophobicContact CG2-CB 4.35Å; T274-Q283 WeakPolarHBondContact OG1-CG 3.41Å; T274-Q283 PolarHBondContact OG1-OE1 2.83Å |
| 284 | V | 97.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 151.2 | 171.2 | -63.7 | 0 | 0 | 0 | 0 | 111 | V162 T164 L181 L272 A273 L286 | V162-V284 HydrophobicContact CB-CG1 4.18Å; V162-V284 HydrophobicContact CG1-CG1 3.9Å; V162-V284 HydrophobicContact CG1-CG2 3.99Å; V162-V284 WeakPolarHBondContact O-CG1 3.47Å; T164-V284 HydrophobicContact CG2-CB 4.26Å; T164-V284 HydrophobicContact CG2-CG2 4.14Å; L181-V284 HydrophobicContact CD1-CG2 3.36Å; L272-V284 WeakPolarHBondContact CA-O 3.47Å; A273-V284 HydrophobicContact CB-CG2 3.95Å; A273-V284 PolarHBondContact N-O 3.47Å; A273-V284 PolarHBondContact O-N 2.89Å; V284-L286 HydrophobicContact CG2-CD1 4.1Å |
| 285 | S | 95.1 | Very high | 95.1 | Very high | 54 Ų | 54 | 36.2 Ų | 36.2 | 38% | 0.378 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 141.1 | 174.7 | 57.3 | 0 | 0 | 0 | 0 | 111.4 | S135 Y271 | S135-S285 PolarHBondContact OG-O 3.48Å; Y271-S285 CarbonylContact O-C 3.57Å; Y271-S285 WeakPolarHBondContact O-CA 3.13Å |
| 286 | L | 95.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.9 | 174.9 | -59.9 | 81.7 | 0 | 0 | 0 | 109.4 | T164 P167 L179 W207 V270 Y271 V284 | T164-L286 HydrophobicContact CG2-CD1 4.05Å; T164-L286 HydrophobicContact CG2-CD2 4.34Å; T164-L286 HydrophobicContact CG2-CG 3.89Å; T164-L286 WeakPolarHBondContact OG1-CD2 3.25Å; P167-L286 CarbonylContact O-C 3.55Å; P167-L286 VanDerWaalsContact O-CA 3.24Å; P167-L286 WeakPolarHBondContact O-CA 3.48Å; L179-L286 HydrophobicContact CB-CD2 4.1Å; W207-L286 HydrophobicContact CH2-CD1 4.04Å; W207-L286 HydrophobicContact CH2-CD2 4.27Å; W207-L286 HydrophobicContact CZ3-CD1 4.02Å; V270-L286 CarbonylContact C-O 3.52Å; V270-L286 WeakPolarHBondContact CA-O 3.26Å; Y271-L286 PolarHBondContact N-O 3.03Å; Y271-L286 PolarHBondContact O-N 2.94Å; V284-L286 HydrophobicContact CG2-CD1 4.1Å |
| 287 | E | 95.1 | Very high | 95.1 | Very high | 115 Ų | 115 | 39.4 Ų | 39.4 | 54% | 0.537 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 97.8 | 176 | -172.3 | 170.9 | -164.2 | 0 | 0 | 110.6 | P167 A168 P169 | P167-E287 PolarHBondContact O-N 3.35Å; A168-E287 CarbonylContact C-O 3.49Å; A168-E287 WeakPolarHBondContact CA-O 3.29Å; P169-E287 WeakPolarHBondContact CD-O 3.22Å |
| 288 | L | 95.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 122.1 | 179.4 | 176.9 | 66.7 | 0 | 0 | 0 | 110 | P169 I171 A177 L179 L260 V263 G269 Y271 | P169-L288 HydrophobicContact CB-CD1 4.33Å; P169-L288 HydrophobicContact CG-CB 4.47Å; P169-L288 HydrophobicContact CG-CD1 4Å; I171-L288 HydrophobicContact CB-CD1 4.21Å; I171-L288 HydrophobicContact CG1-CD1 3.46Å; I171-L288 VanDerWaalsContact CG1-CD1 3.46Å; A177-L288 HydrophobicContact CB-CD1 4.43Å; L179-L288 HydrophobicContact CD2-CD1 4.12Å; L260-L288 HydrophobicContact CD2-CD2 4.42Å; V263-L288 HydrophobicContact CG1-CD2 4.19Å; G269-L288 PolarHBondContact N-O 3.01Å; G269-L288 VanDerWaalsContact N-O 3.14Å; G269-L288 PolarHBondContact O-N 3.12Å; Y271-L288 HydrophobicContact CD2-CB 3.73Å; Y271-L288 HydrophobicContact CD2-CD2 4.34Å; Y271-L288 HydrophobicContact CE2-CB 3.62Å; Y271-L288 HydrophobicContact CE2-CD2 3.51Å; Y271-L288 HydrophobicContact CE2-CG 4.19Å |
| 289 | T | 94.7 | Very high | 95.4 | Very high | 48 Ų | 48 | 41.8 Ų | 41.8 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.6 | 172.4 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | P169 R170 I171 | P169-T289 PolarHBondContact O-N 2.88Å; R170-T289 CarbonylContact C-O 3.14Å; R170-T289 WeakPolarHBondContact CA-O 3.43Å; R170-T289 WeakPolarHBondContact CG-OG1 3.34Å; I171-T289 PolarHBondContact N-O 3.08Å |
| 290 | V | 95.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 144.2 | -179 | 178.7 | 0 | 0 | 0 | 0 | 108.4 | I171 L173 V263 E268 Y323 | I171-V290 CarbonylContact O-C 3.51Å; I171-V290 VanDerWaalsContact O-CA 3.28Å; I171-V290 WeakPolarHBondContact O-CA 3.41Å; L173-V290 HydrophobicContact CB-CG1 3.67Å; L173-V290 HydrophobicContact CD1-CG1 4.34Å; L173-V290 HydrophobicContact CG-CG1 4.17Å; V263-V290 HydrophobicContact CG1-CG2 3.49Å; V263-V290 VanDerWaalsContact CG1-CG2 3.49Å; E268-V290 HydrophobicContact CG-CB 3.96Å; E268-V290 HydrophobicContact CG-CG2 3.63Å; E268-V290 WeakPolarHBondContact OE1-CA 3.41Å; E268-V290 VanDerWaalsContact OE1-CB 3.28Å; E268-V290 WeakPolarHBondContact OE1-CB 3.41Å; E268-V290 PolarHBondContact OE1-N 3.36Å; V290-Y323 HydrophobicContact CB-CD1 4.3Å; V290-Y323 HydrophobicContact CB-CE1 4.28Å; V290-Y323 HydrophobicContact CG1-CD1 4.26Å; V290-Y323 WeakPolarHBondContact O-CD1 3.39Å |
| 291 | H | 95.6 | Very high | 95.1 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 11% | 0.111 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 153.9 | 174 | 68.2 | -63.5 | 0 | 0 | 0 | 111.5 | I171 H172 L173 Y323 | I171-H291 PolarHBondContact O-N 2.85Å; I171-H291 PolarHBondContact O-ND1 2.95Å; H172-H291 CarbonylContact C-O 3.51Å; H172-H291 VanDerWaalsContact CA-O 3.26Å; H172-H291 WeakPolarHBondContact CA-O 3.24Å; H172-H291 AromaticContact CD2-CD2 3.78Å; H172-H291 AromaticContact CD2-CE1 3.57Å; H172-H291 AromaticContact CD2-NE2 3.27Å; H172-H291 PolarHBondContact CD2-NE2 2.79Å; H172-H291 VanDerWaalsContact CD2-NE2 3.27Å; H172-H291 AromaticContact CE1-NE2 3.97Å; H172-H291 AromaticContact NE2-CD2 3.97Å; H172-H291 AromaticContact NE2-CE1 3.8Å; H172-H291 AromaticContact NE2-NE2 3.2Å; H172-H291 PolarHBondContact NE2-NE2 2.88Å; H172-H291 VanDerWaalsContact NE2-NE2 3.2Å; L173-H291 PolarHBondContact N-O 2.87Å; H291-Y323 CarbonylContact C-O 3.58Å; H291-Y323 WeakPolarHBondContact CA-O 3.39Å |
| 292 | K | 96.3 | Very high | 94.6 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 19% | 0.191 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -143.9 | 123.3 | 173.6 | -165.7 | 177.2 | 179.8 | 178 | 0 | 108.9 | L173 H321 F322 Y323 D359 S390 | L173-K292 HydrophobicContact CB-CB 3.99Å; L173-K292 HydrophobicContact CB-CD 4.09Å; L173-K292 HydrophobicContact CB-CG 4.36Å; L173-K292 HydrophobicContact CD1-CD 4.39Å; L173-K292 HydrophobicContact CD2-CD 4.18Å; L173-K292 HydrophobicContact CG-CD 4.46Å; K292-H321 HydrophobicContact CD-CB 4.47Å; K292-H321 WeakPolarHBondContact CD-O 3.32Å; K292-H321 WeakPolarHBondContact CE-O 3.27Å; K292-H321 VanDerWaalsContact CG-O 3.32Å; K292-H321 WeakPolarHBondContact CG-O 3.44Å; K292-F322 WeakPolarHBondContact O-CA 3.36Å; K292-Y323 PolarHBondContact N-O 3.09Å; K292-Y323 PolarHBondContact O-N 3.4Å; K292-Y323 VanDerWaalsContact O-N 3.15Å; K292-D359 IonicContact NZ-OD2 3.28Å; K292-D359 PolarHBondContact NZ-OD2 2.98Å; K292-S390 PolarHBondContact O-OG 3.28Å |
| 293 | P | 95.7 | Very high | 94.1 | Very high | 47 Ų | 47 | 50 Ų | 50 | 31% | 0.305 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 135.3 | 177.8 | 27.4 | -32.9 | 0 | 0 | 0 | 111.5 | S390 L391 | P293-S390 VanDerWaalsContact CA-OG 3.24Å; P293-S390 WeakPolarHBondContact CA-OG 3.3Å; P293-L391 HydrophobicContact CB-CD2 4.27Å |
| 294 | P | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 145.3 | 178.1 | 25.1 | -34 | 0 | 0 | 0 | 112.4 | V319 F322 V386 H388 L391 R396 | P294-V319 HydrophobicContact CB-CG1 3.41Å; P294-V319 VanDerWaalsContact CB-CG1 3.41Å; P294-V319 HydrophobicContact CG-CG1 4.32Å; P294-F322 HydrophobicContact CB-CB 3.66Å; P294-F322 HydrophobicContact CB-CD1 4.38Å; P294-F322 HydrophobicContact CB-CG 4.23Å; P294-F322 HydrophobicContact CG-CB 4.33Å; P294-V386 HydrophobicContact CG-CG1 4.33Å; P294-H388 HydrophobicContact CG-CB 4.3Å; P294-L391 HydrophobicContact CG-CD1 3.68Å; P294-L391 HydrophobicContact CG-CD2 4.21Å; P294-L391 HydrophobicContact CG-CG 3.97Å; P294-R396 PolarHBondContact O-NH1 2.8Å |
| 295 | R | 95.6 | Very high | 93.3 | Very high | 175 Ų | 175 | 52.5 Ų | 52.5 | 66% | 0.66 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 117 | 162.8 | -65.6 | 179.2 | -176.7 | -173.7 | 0.2 | 108.2 | S320 | R295-S320 WeakPolarHBondContact CB-OG 3.47Å; R295-S320 PolarHBondContact N-O 3.41Å; R295-S320 PolarHBondContact O-N 2.93Å; R295-S320 PolarHBondContact O-OG 3.2Å |
| 296 | V | 96.2 | Very high | 92.9 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.1 | -177.9 | -174.2 | 0 | 0 | 0 | 0 | 108.1 | V386 R396 A398 | V296-V386 HydrophobicContact CB-CG2 4.4Å; V296-V386 HydrophobicContact CG1-CG2 3.77Å; V296-V386 HydrophobicContact CG2-CB 3.84Å; V296-V386 HydrophobicContact CG2-CG1 4.29Å; V296-V386 HydrophobicContact CG2-CG2 3.66Å; V296-R396 HydrophobicContact CB-CG 4.25Å; V296-R396 HydrophobicContact CG2-CB 4.22Å; V296-R396 HydrophobicContact CG2-CG 3.95Å; V296-A398 HydrophobicContact CG1-CB 3.92Å |
| 297 | S | 95.4 | Very high | 92.5 | Very high | 48 Ų | 48 | 51.9 Ų | 51.9 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 154.1 | 176.8 | 51.3 | 0 | 0 | 0 | 0 | 109.3 | C317 L318 | S297-C317 CarbonylContact O-C 3.47Å; S297-C317 WeakPolarHBondContact O-CA 3.45Å; S297-L318 PolarHBondContact N-O 2.78Å; S297-L318 PolarHBondContact O-N 2.84Å; S297-L318 PolarHBondContact OG-O 2.72Å |
| 298 | L | 95.2 | Very high | 92.1 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 7% | 0.073 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138.2 | -174.8 | -159.8 | 137.5 | 0 | 0 | 0 | 109.5 | A301 L316 W332 C384 A398 V400 | L298-A301 WeakPolarHBondContact O-CB 3.41Å; L298-L316 CarbonylContact C-O 3.55Å; L298-L316 WeakPolarHBondContact CA-O 3.21Å; L298-W332 HydrophobicContact CD1-CH2 4.02Å; L298-W332 HydrophobicContact CD1-CZ3 3.71Å; L298-C384 HydrophobicContact CD1-CB 3.65Å; L298-A398 HydrophobicContact CB-CB 3.93Å; L298-A398 HydrophobicContact CD1-CB 4.45Å; L298-V400 HydrophobicContact CD2-CB 3.61Å; L298-V400 HydrophobicContact CD2-CG1 3.4Å; L298-V400 VanDerWaalsContact CD2-CG1 3.4Å; L298-V400 HydrophobicContact CD2-CG2 4.48Å |
| 299 | T | 93.8 | Very high | 91.6 | Very high | 78 Ų | 78 | 52.5 Ų | 52.5 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 128.6 | -175.8 | -53.3 | 0 | 0 | 0 | 0 | 109.1 | L316 | T299-L316 PolarHBondContact N-O 2.84Å; T299-L316 PolarHBondContact O-N 3.45Å |
| 300 | P | 92.1 | Very high | 91.3 | Very high | 48 Ų | 48 | 55.8 Ų | 55.8 | 31% | 0.312 | 32% | 0.317 | S | S | . | . | S | Bend | cis | -71.6 | 147 | -5.3 | -13.7 | 29.8 | 0 | 0 | 0 | 112.5 | V304 P313 V400 | P300-V304 HydrophobicContact CB-CG2 3.88Å; P300-V304 HydrophobicContact CG-CG2 4.14Å; P300-P313 HydrophobicContact CG-CG 4.26Å; P300-V400 WeakPolarHBondContact O-CG2 3.24Å |
| 301 | A | 87.3 | Confident | 91 | Very high | 55 Ų | 55 | 57.8 Ų | 57.8 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | trans | -147.7 | 153.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | L298 | L298-A301 WeakPolarHBondContact O-CB 3.41Š| ||
| 302 | P | 84.9 | Confident | 90.7 | Very high | 97 Ų | 97 | 57 Ų | 57 | 63% | 0.63 | 33% | 0.331 | S | S | * | . | S | Bend | cis | -89.8 | -9.4 | 8.9 | 35 | -35.4 | 0 | 0 | 0 | 115 | V400 T401 | P302-V400 WeakPolarHBondContact O-CG2 3.32Å; P302-T401 PolarHBondContact O-N 3.19Å |
| 303 | I | 86.9 | Confident | 90.5 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141.6 | -174.6 | -61.5 | 165.5 | 0 | 0 | 0 | 109.9 | W305 T401 E403 | I303-W305 HydrophobicContact CG2-CD2 4.32Å; I303-W305 HydrophobicContact CG2-CZ2 3.86Å; I303-T401 WeakPolarHBondContact CA-O 3.26Å; I303-E403 HydrophobicContact CG2-CB 4.08Å; I303-E403 HydrophobicContact CG2-CG 3.5Å |
| 304 | V | 89.5 | Confident | 90.4 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.2 | 173 | 167.1 | 0 | 0 | 0 | 0 | 109.3 | P300 P312 P313 L315 V400 T401 L402 E403 | P300-V304 HydrophobicContact CB-CG2 3.88Å; P300-V304 HydrophobicContact CG-CG2 4.14Å; V304-P312 HydrophobicContact CG1-CB 3.79Å; V304-P313 HydrophobicContact CG1-CG 3.66Å; V304-L315 HydrophobicContact CG2-CD2 3.87Å; V304-V400 HydrophobicContact CB-CG2 4.16Å; V304-V400 HydrophobicContact CG2-CG2 3.65Å; V304-T401 PolarHBondContact N-O 3.01Å; V304-L402 HydrophobicContact CG1-CD1 4.34Å; V304-L402 WeakPolarHBondContact O-CA 3.3Å; V304-E403 PolarHBondContact O-N 2.86Å |
| 305 | W | 86.6 | Confident | 90.4 | Very high | 141 Ų | 141 | 59.7 Ų | 59.7 | 53% | 0.534 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 144.2 | -177.1 | -58.5 | 87.4 | 0 | 0 | 0 | 111.2 | I303 E403 | I303-W305 HydrophobicContact CG2-CD2 4.32Å; I303-W305 HydrophobicContact CG2-CZ2 3.86Å; W305-E403 WeakPolarHBondContact CA-O 3.46Å; W305-E403 HydrophobicContact CD2-CB 3.7Å; W305-E403 HydrophobicContact CE3-CB 3.29Å; W305-E403 HydrophobicContact CE3-CG 4.34Å; W305-E403 HydrophobicContact CH2-CB 3.68Å; W305-E403 HydrophobicContact CH2-CG 3.87Å; W305-E403 HydrophobicContact CZ2-CB 4.06Å; W305-E403 HydrophobicContact CZ2-CG 4.1Å; W305-E403 HydrophobicContact CZ3-CB 3.29Å; W305-E403 HydrophobicContact CZ3-CG 4.02Å |
| 306 | A | 88.2 | Confident | 90.4 | Very high | 8 Ų | 8 | 54 Ų | 54 | 7% | 0.066 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 147.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | P312 V373 E403 V404 A405 | A306-P312 HydrophobicContact CB-CB 4.1Å; A306-P312 HydrophobicContact CB-CG 3.73Å; A306-V373 HydrophobicContact CB-CG2 3.65Å; A306-E403 PolarHBondContact N-O 2.78Å; A306-V404 WeakPolarHBondContact O-CA 3.31Å; A306-A405 PolarHBondContact O-N 2.9Å |
| 307 | A | 86.3 | Confident | 90.5 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 30% | 0.298 | 32% | 0.321 | S | S | . | . | trans | -75.4 | 154 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G309 E310 | A307-G309 PolarHBondContact O-N 3.35Å; A307-E310 HydrophobicContact CB-CB 4.2Å; A307-E310 WeakPolarHBondContact O-CB 3.18Å; A307-E310 PolarHBondContact O-N 2.89Å | ||
| 308 | P | 86.2 | Confident | 90.6 | Very high | 68 Ų | 68 | 52.9 Ų | 52.9 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 128 | 171.7 | -24.2 | 33.2 | 0 | 0 | 0 | 111.4 | E310 D375 V404 | P308-E310 VanDerWaalsContact C-N 3.28Å; P308-E310 PolarHBondContact O-N 2.86Å; P308-D375 WeakPolarHBondContact CB-OD1 3.33Å; P308-D375 VanDerWaalsContact CG-OD1 3.28Å; P308-D375 WeakPolarHBondContact CG-OD1 3.48Å; P308-V404 HydrophobicContact CG-CG1 3.75Å |
| 309 | G | 85.4 | Confident | 90.7 | Very high | 61 Ų | 61 | 52.2 Ų | 52.2 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 0.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A307 V373 | A307-G309 PolarHBondContact O-N 3.35Å; G309-V373 PolarHBondContact N-O 2.75Å |
| 310 | E | 88.6 | Confident | 90.8 | Very high | 116 Ų | 116 | 49.5 Ų | 49.5 | 54% | 0.542 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -101.2 | 148.1 | 171.9 | -167.3 | 174.3 | -172.4 | 0 | 0 | 110.9 | A307 P308 P372 V373 | A307-E310 HydrophobicContact CB-CB 4.2Å; A307-E310 WeakPolarHBondContact O-CB 3.18Å; A307-E310 PolarHBondContact O-N 2.89Å; P308-E310 VanDerWaalsContact C-N 3.28Å; P308-E310 PolarHBondContact O-N 2.86Å; E310-P372 WeakPolarHBondContact O-CA 3.23Å; E310-V373 WeakPolarHBondContact O-CG2 3.49Å; E310-V373 PolarHBondContact O-N 2.94Å |
| 311 | A | 88.4 | Confident | 91 | Very high | 47 Ų | 47 | 50.2 Ų | 50.2 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 128.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 312 | P | 89.6 | Confident | 91.4 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 5% | 0.045 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 159.9 | 172.1 | -20.7 | 29.8 | 0 | 0 | 0 | 112.4 | V304 A306 L370 V373 L402 | V304-P312 HydrophobicContact CG1-CB 3.79Å; A306-P312 HydrophobicContact CB-CB 4.1Å; A306-P312 HydrophobicContact CB-CG 3.73Å; P312-L370 HydrophobicContact CB-CD1 4.09Å; P312-L370 HydrophobicContact CG-CB 4.21Å; P312-L370 HydrophobicContact CG-CD1 3.98Å; P312-V373 HydrophobicContact CG-CG1 3.45Å; P312-V373 VanDerWaalsContact CG-CG1 3.45Å; P312-L402 HydrophobicContact CB-CD1 4.33Å; P312-L402 HydrophobicContact CG-CD1 3.84Å |
| 313 | P | 91.9 | Very high | 91.9 | Very high | 64 Ų | 64 | 44.7 Ų | 44.7 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 149.8 | 170.3 | 26 | -35.9 | 0 | 0 | 0 | 111.2 | P300 V304 L315 | P300-P313 HydrophobicContact CG-CG 4.26Å; V304-P313 HydrophobicContact CG1-CG 3.66Å; P313-L315 PolarHBondContact O-N 2.91Å |
| 314 | E | 94.3 | Very high | 92.3 | Very high | 84 Ų | 84 | 42.7 Ų | 42.7 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -56.9 | 132.1 | 176.2 | -173.8 | -172 | 145.6 | 0 | 0 | 111.1 | W350 H367 | E314-W350 HydrophobicContact CG-CZ2 4.48Å; E314-W350 WeakPolarHBondContact OE1-CZ2 3.27Å; E314-H367 WeakPolarHBondContact OE1-CB 3.28Å; E314-H367 IonicContact OE1-CE1 3.89Å; E314-H367 IonicContact OE1-CG 3.42Å; E314-H367 IonicContact OE1-ND1 2.73Å; E314-H367 PolarHBondContact OE1-ND1 2.95Å |
| 315 | L | 95.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123.4 | 174.9 | -55.9 | -173.9 | 0 | 0 | 0 | 109.7 | V304 P313 W332 H367 L368 L370 Y382 V400 | V304-L315 HydrophobicContact CG2-CD2 3.87Å; P313-L315 PolarHBondContact O-N 2.91Å; L315-W332 HydrophobicContact CB-CH2 3.73Å; L315-W332 HydrophobicContact CB-CZ3 3.94Å; L315-W332 HydrophobicContact CD1-CZ3 4.18Å; L315-H367 WeakPolarHBondContact O-CA 3.06Å; L315-L368 HydrophobicContact CB-CB 4.33Å; L315-L368 HydrophobicContact CD1-CD2 4.31Å; L315-L368 PolarHBondContact N-O 2.79Å; L315-L368 PolarHBondContact O-N 2.99Å; L315-L370 HydrophobicContact CD1-CD1 4.03Å; L315-L370 HydrophobicContact CG-CD1 4.3Å; L315-Y382 HydrophobicContact CD1-CG 4.14Å; L315-V400 HydrophobicContact CD1-CG1 3.86Å; L315-V400 HydrophobicContact CD2-CG1 4.24Å |
| 316 | L | 96.5 | Very high | 92.7 | Very high | 56 Ų | 56 | 46.1 Ų | 46.1 | 29% | 0.293 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.8 | 176.6 | -170.3 | 159.7 | 0 | 0 | 0 | 109.4 | L298 T299 L318 | L298-L316 CarbonylContact C-O 3.55Å; L298-L316 WeakPolarHBondContact CA-O 3.21Å; T299-L316 PolarHBondContact N-O 2.84Å; T299-L316 PolarHBondContact O-N 3.45Å; L316-L318 HydrophobicContact CD2-CB 3.84Å |
| 317 | C | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 104.1 | 171.3 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | S297 W332 S365 G366 C384 | S297-C317 CarbonylContact O-C 3.47Å; S297-C317 WeakPolarHBondContact O-CA 3.45Å; C317-W332 HydrophobicContact CB-CH2 3.65Å; C317-W332 HydrophobicContact CB-CZ2 3.56Å; C317-S365 CarbonylContact O-C 3.59Å; C317-S365 VanDerWaalsContact O-CA 3.3Å; C317-S365 WeakPolarHBondContact O-CA 3.49Å; C317-G366 PolarHBondContact N-O 2.84Å; C317-G366 PolarHBondContact O-N 2.84Å; C317-C384 HydrophobicContact CB-CB 3.53Å; C317-C384 WeakPolarHBondContact CB-SG 3.28Å; C317-C384 WeakPolarHBondContact SG-CB 2.96Å; C317-C384 CovalentContact SG-SG 2.02Å; C317-C384 PolarHBondContact SG-SG 3.44Å |
| 318 | L | 97.1 | Very high | 93.2 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 114.3 | 179 | -179.3 | 69.8 | 0 | 0 | 0 | 109.9 | S297 L316 | S297-L318 PolarHBondContact N-O 2.78Å; S297-L318 PolarHBondContact O-N 2.84Å; S297-L318 PolarHBondContact OG-O 2.72Å; L316-L318 HydrophobicContact CD2-CB 3.84Å |
| 319 | V | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 99.5 | 173.5 | -168.6 | 0 | 0 | 0 | 0 | 108.4 | P294 F322 L328 V330 S363 Q364 V386 | P294-V319 HydrophobicContact CB-CG1 3.41Å; P294-V319 VanDerWaalsContact CB-CG1 3.41Å; P294-V319 HydrophobicContact CG-CG1 4.32Å; V319-F322 HydrophobicContact CB-CE1 4.41Å; V319-F322 HydrophobicContact CG1-CD1 3.79Å; V319-F322 HydrophobicContact CG1-CE1 3.98Å; V319-L328 HydrophobicContact CG1-CD1 3.96Å; V319-L328 HydrophobicContact CG1-CD2 4.28Å; V319-V330 HydrophobicContact CG2-CG2 4.14Å; V319-S363 VanDerWaalsContact O-CA 3.29Å; V319-S363 WeakPolarHBondContact O-CA 3.48Å; V319-S363 WeakPolarHBondContact O-CB 3.27Å; V319-Q364 WeakPolarHBondContact CA-O 3.3Å; V319-Q364 WeakPolarHBondContact CB-O 3.46Å; V319-Q364 PolarHBondContact N-O 3.44Å; V319-Q364 PolarHBondContact O-N 2.75Å; V319-Q364 VanDerWaalsContact O-O 3.12Å; V319-V386 HydrophobicContact CG1-CG1 4.11Å; V319-V386 HydrophobicContact CG2-CG1 4.39Å; V319-V386 HydrophobicContact CG2-CG2 3.76Å |
| 320 | S | 96.3 | Very high | 94 | Very high | 21 Ų | 21 | 48 Ų | 48 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 145.9 | -169.7 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | R295 S363 | R295-S320 WeakPolarHBondContact CB-OG 3.47Å; R295-S320 PolarHBondContact N-O 3.41Å; R295-S320 PolarHBondContact O-N 2.93Å; R295-S320 PolarHBondContact O-OG 3.2Å; S320-S363 WeakPolarHBondContact CA-OG 3.05Å |
| 321 | H | 95.8 | Very high | 94.3 | Very high | 63 Ų | 63 | 45.6 Ų | 45.6 | 29% | 0.292 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.4 | 63.3 | 173.3 | -66.6 | -71.5 | 0 | 0 | 0 | 115 | K292 H357 S361 V362 S363 | K292-H321 HydrophobicContact CD-CB 4.47Å; K292-H321 WeakPolarHBondContact CD-O 3.32Å; K292-H321 WeakPolarHBondContact CE-O 3.27Å; K292-H321 VanDerWaalsContact CG-O 3.32Å; K292-H321 WeakPolarHBondContact CG-O 3.44Å; H321-H357 AromaticContact CE1-CD2 3.85Å; H321-H357 AromaticContact CE1-CE1 3.4Å; H321-H357 PolarHBondContact CE1-CE1 3.14Å; H321-H357 AromaticContact CE1-CG 3.66Å; H321-H357 AromaticContact CE1-ND1 3.38Å; H321-H357 PolarHBondContact CE1-ND1 3.23Å; H321-H357 AromaticContact CE1-NE2 3.68Å; H321-H357 AromaticContact ND1-CD2 3.7Å; H321-H357 AromaticContact ND1-CE1 3.97Å; H321-H357 AromaticContact ND1-CG 3.8Å; H321-H357 AromaticContact ND1-ND1 3.98Å; H321-H357 AromaticContact ND1-NE2 3.81Å; H321-H357 AromaticContact NE2-CE1 3.92Å; H321-S361 PolarHBondContact ND1-OG 2.79Å; H321-S361 VanDerWaalsContact ND1-OG 3.09Å; H321-V362 WeakPolarHBondContact CA-O 3.44Å; H321-V362 PolarHBondContact N-O 2.84Å; H321-S363 PolarHBondContact N-OG 3.44Å |
| 322 | F | 96.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 163.8 | 176.4 | 70.4 | -86.8 | 0 | 0 | 0 | 112.4 | K292 P294 V319 P324 L328 V362 Q364 H388 | K292-F322 WeakPolarHBondContact O-CA 3.36Å; P294-F322 HydrophobicContact CB-CB 3.66Å; P294-F322 HydrophobicContact CB-CD1 4.38Å; P294-F322 HydrophobicContact CB-CG 4.23Å; P294-F322 HydrophobicContact CG-CB 4.33Å; V319-F322 HydrophobicContact CB-CE1 4.41Å; V319-F322 HydrophobicContact CG1-CD1 3.79Å; V319-F322 HydrophobicContact CG1-CE1 3.98Å; F322-P324 VanDerWaalsContact CD2-O 3.25Å; F322-P324 WeakPolarHBondContact CD2-O 3.45Å; F322-P324 WeakPolarHBondContact CE2-O 3.5Å; F322-L328 HydrophobicContact CE1-CD2 3.72Å; F322-L328 HydrophobicContact CE2-CB 3.98Å; F322-L328 HydrophobicContact CE2-CD1 4.39Å; F322-L328 HydrophobicContact CE2-CD2 3.86Å; F322-L328 HydrophobicContact CE2-CG 4.28Å; F322-L328 HydrophobicContact CZ-CB 4.23Å; F322-L328 HydrophobicContact CZ-CD1 4.44Å; F322-L328 HydrophobicContact CZ-CD2 3.26Å; F322-L328 HydrophobicContact CZ-CG 4.15Å; F322-V362 HydrophobicContact CD1-CG2 4.3Å; F322-V362 VanDerWaalsContact CD1-O 3.32Å; F322-V362 WeakPolarHBondContact CD1-O 3.28Å; F322-V362 HydrophobicContact CD2-CG2 3.84Å; F322-V362 HydrophobicContact CE1-CG2 3.98Å; F322-V362 HydrophobicContact CE2-CG2 3.48Å; F322-V362 VanDerWaalsContact CE2-CG2 3.48Å; F322-V362 HydrophobicContact CG-CG2 4.22Å; F322-V362 HydrophobicContact CZ-CG2 3.53Å; F322-V362 PolarHBondContact N-O 2.93Å; F322-V362 WeakPolarHBondContact O-CG2 3.49Å; F322-V362 PolarHBondContact O-N 3.12Å; F322-Q364 HydrophobicContact CE1-CB 4.26Å; F322-Q364 HydrophobicContact CZ-CB 4.37Å; F322-H388 AromaticContact CD2-CD2 3.83Å; F322-H388 AromaticContact CD2-NE2 3.6Å |
| 323 | Y | 96.1 | Very high | 94.8 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 14% | 0.141 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -162.4 | 140.1 | 175.4 | -169.2 | -89.6 | 0 | 0 | 0 | 109.1 | L173 P265 E268 V290 H291 K292 H388 | L173-Y323 HydrophobicContact CD1-CG 4.42Å; P265-Y323 HydrophobicContact CB-CD2 4.38Å; P265-Y323 HydrophobicContact CB-CE1 4.31Å; P265-Y323 HydrophobicContact CB-CE2 3.69Å; P265-Y323 HydrophobicContact CG-CD1 4.48Å; P265-Y323 HydrophobicContact CG-CD2 3.85Å; P265-Y323 HydrophobicContact CG-CE1 4.33Å; P265-Y323 HydrophobicContact CG-CE2 3.68Å; P265-Y323 HydrophobicContact CG-CG 4.27Å; E268-Y323 VanDerWaalsContact OE1-CE1 3.31Å; E268-Y323 WeakPolarHBondContact OE1-CE1 3.41Å; E268-Y323 PolarHBondContact OE2-OH 2.82Å; E268-Y323 VanDerWaalsContact OE2-OH 3.1Å; V290-Y323 HydrophobicContact CB-CD1 4.3Å; V290-Y323 HydrophobicContact CB-CE1 4.28Å; V290-Y323 HydrophobicContact CG1-CD1 4.26Å; V290-Y323 WeakPolarHBondContact O-CD1 3.39Å; H291-Y323 CarbonylContact C-O 3.58Å; H291-Y323 WeakPolarHBondContact CA-O 3.39Å; K292-Y323 PolarHBondContact N-O 3.09Å; K292-Y323 PolarHBondContact O-N 3.4Å; K292-Y323 VanDerWaalsContact O-N 3.15Å; Y323-H388 PolarHBondContact O-CE1 2.76Å |
| 324 | P | 95.2 | Very high | 94.7 | Very high | 31 Ų | 31 | 43.1 Ų | 43.1 | 20% | 0.201 | 22% | 0.223 | C | C | . | . | cis | -70.1 | 176.6 | 1.9 | 30.5 | -37.4 | 0 | 0 | 0 | 114.2 | F322 E326 H388 | F322-P324 VanDerWaalsContact CD2-O 3.25Å; F322-P324 WeakPolarHBondContact CD2-O 3.45Å; F322-P324 WeakPolarHBondContact CE2-O 3.5Å; P324-E326 WeakPolarHBondContact CB-OE2 3.26Å; P324-H388 PolarHBondContact O-NE2 3.12Å | ||
| 325 | E | 92.8 | Very high | 94.4 | Very high | 83 Ų | 83 | 42 Ų | 42 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -77.8 | -35.2 | 175.3 | -179.6 | 177.5 | 158.3 | 0 | 0 | 111 | V354 H356 V362 | E325-V354 HydrophobicContact CG-CG1 4.32Å; E325-V354 HydrophobicContact CG-CG2 4.32Å; E325-V354 WeakPolarHBondContact OE1-CG2 3.27Å; E325-H356 IonicContact OE2-CE1 3.54Å; E325-V362 HydrophobicContact CB-CG2 4.18Å |
| 326 | E | 91.6 | Very high | 93.3 | Very high | 135 Ų | 135 | 44 Ų | 44 | 63% | 0.631 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 142.6 | -177 | -57.5 | 83.5 | 175.2 | 0 | 0 | 112.2 | P324 | P324-E326 WeakPolarHBondContact CB-OE2 3.26Š|
| 327 | G | 89.7 | Confident | 91.8 | Very high | 46 Ų | 46 | 42.6 Ų | 42.6 | 47% | 0.474 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 12.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 328 | L | 94.9 | Very high | 89.7 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 14% | 0.141 | 28% | 0.279 | C | S | . | . | trans | -74.4 | 124.9 | 166.4 | -178.2 | 70.6 | 0 | 0 | 0 | 110.4 | V319 F322 V330 Q364 V386 H388 | V319-L328 HydrophobicContact CG1-CD1 3.96Å; V319-L328 HydrophobicContact CG1-CD2 4.28Å; F322-L328 HydrophobicContact CE1-CD2 3.72Å; F322-L328 HydrophobicContact CE2-CB 3.98Å; F322-L328 HydrophobicContact CE2-CD1 4.39Å; F322-L328 HydrophobicContact CE2-CD2 3.86Å; F322-L328 HydrophobicContact CE2-CG 4.28Å; F322-L328 HydrophobicContact CZ-CB 4.23Å; F322-L328 HydrophobicContact CZ-CD1 4.44Å; F322-L328 HydrophobicContact CZ-CD2 3.26Å; F322-L328 HydrophobicContact CZ-CG 4.15Å; L328-V330 HydrophobicContact CD2-CG2 4.47Å; L328-V330 HydrophobicContact CG-CG2 4.48Å; L328-Q364 HydrophobicContact CD2-CB 4Å; L328-V386 HydrophobicContact CD1-CG1 3.46Å; L328-V386 VanDerWaalsContact CD1-CG1 3.46Å; L328-H388 HydrophobicContact CD1-CB 4.29Å | ||
| 329 | E | 94.3 | Very high | 87.7 | Confident | 105 Ų | 105 | 53.5 Ų | 53.5 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.5 | 171.5 | -57.7 | 174.5 | 166.1 | 0 | 0 | 110 | V386 R387 | E329-V386 WeakPolarHBondContact O-CA 3.27Å; E329-R387 HydrophobicContact CB-CB 4.22Å; E329-R387 PolarHBondContact N-O 2.83Å; E329-R387 PolarHBondContact O-N 2.84Å; E329-R387 WeakPolarHBondContact OE2-CD 3.38Å |
| 330 | V | 95.2 | Very high | 85.8 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 21% | 0.212 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 114.1 | 177.4 | -176.4 | 0 | 0 | 0 | 0 | 109 | V319 L328 C384 | V319-V330 HydrophobicContact CG2-CG2 4.14Å; L328-V330 HydrophobicContact CD2-CG2 4.47Å; L328-V330 HydrophobicContact CG-CG2 4.48Å; V330-C384 VanDerWaalsContact CG1-SG 3.55Å |
| 331 | E | 94.3 | Very high | 84.3 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144.9 | 179.8 | -61.1 | 179.7 | 139.3 | 0 | 0 | 110 | C384 R385 R387 | E331-C384 CarbonylContact O-C 3.6Å; E331-C384 WeakPolarHBondContact O-CA 3.48Å; E331-R385 HydrophobicContact CB-CB 4.35Å; E331-R385 PolarHBondContact N-O 2.88Å; E331-R385 PolarHBondContact O-N 2.96Å; E331-R385 IonicContact OE1-NH2 2.69Å; E331-R385 IonicContact OE2-CZ 3.93Å; E331-R385 IonicContact OE2-NE 2.63Å; E331-R385 PolarHBondContact OE2-NE 2.8Å; E331-R385 IonicContact OE2-NH2 2.81Å; E331-R385 PolarHBondContact OE2-NH2 2.69Å; E331-R387 IonicContact OE1-NE 3.22Å; E331-R387 IonicContact OE2-CZ 3.05Å; E331-R387 IonicContact OE2-NE 3.97Å; E331-R387 PolarHBondContact OE2-NE 2.8Å; E331-R387 IonicContact OE2-NH2 2.77Å |
| 332 | W | 94.8 | Very high | 83.5 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 7% | 0.068 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.2 | 176.1 | -69.6 | 98.9 | 0 | 0 | 0 | 110.6 | L298 L315 C317 A345 T349 L368 C384 | L298-W332 HydrophobicContact CD1-CH2 4.02Å; L298-W332 HydrophobicContact CD1-CZ3 3.71Å; L315-W332 HydrophobicContact CB-CH2 3.73Å; L315-W332 HydrophobicContact CB-CZ3 3.94Å; L315-W332 HydrophobicContact CD1-CZ3 4.18Å; C317-W332 HydrophobicContact CB-CH2 3.65Å; C317-W332 HydrophobicContact CB-CZ2 3.56Å; W332-A345 HydrophobicContact CB-CB 3.85Å; W332-A345 PolarHBondContact O-N 3.28Å; W332-T349 HydrophobicContact CG-CG2 4.43Å; W332-L368 HydrophobicContact CB-CD2 4.06Å; W332-L368 HydrophobicContact CD2-CB 3.69Å; W332-L368 HydrophobicContact CD2-CD2 3.64Å; W332-L368 HydrophobicContact CD2-CG 4.24Å; W332-L368 VanDerWaalsContact CE2-CB 3.48Å; W332-L368 HydrophobicContact CE3-CB 4.05Å; W332-L368 HydrophobicContact CE3-CD2 3.48Å; W332-L368 VanDerWaalsContact CE3-CD2 3.48Å; W332-L368 HydrophobicContact CE3-CG 4.41Å; W332-L368 HydrophobicContact CG-CB 4.14Å; W332-L368 HydrophobicContact CG-CD2 3.9Å; W332-L368 HydrophobicContact CG-CG 4.44Å; W332-L368 HydrophobicContact CH2-CB 4Å; W332-L368 HydrophobicContact CZ2-CB 3.66Å; W332-L368 HydrophobicContact CZ3-CB 4.17Å; W332-L368 HydrophobicContact CZ3-CD2 4.02Å; W332-C384 HydrophobicContact CD2-CB 4.41Å; W332-C384 HydrophobicContact CE3-CB 3.99Å; W332-C384 HydrophobicContact CH2-CB 4.05Å; W332-C384 HydrophobicContact CZ2-CB 4.42Å; W332-C384 HydrophobicContact CZ3-CB 3.83Å |
| 333 | E | 93 | Very high | 83 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 5% | 0.047 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149.2 | -176.6 | -57.8 | -176.5 | 152.8 | 0 | 0 | 111.5 | R335 R343 Y382 A383 R385 | E333-R335 IonicContact OE2-CZ 3.79Å; E333-R335 IonicContact OE2-NE 3.35Å; E333-R335 PolarHBondContact OE2-NE 2.84Å; E333-R335 IonicContact OE2-NH2 3.07Å; E333-R335 PolarHBondContact OE2-NH2 3.13Å; E333-R343 CarbonylContact C-O 3.52Å; E333-R343 WeakPolarHBondContact CA-O 3.47Å; E333-Y382 CarbonylContact O-C 3.52Å; E333-Y382 WeakPolarHBondContact O-CA 3.47Å; E333-A383 HydrophobicContact CB-CB 4.37Å; E333-A383 PolarHBondContact N-O 2.93Å; E333-A383 PolarHBondContact O-N 2.8Å; E333-R385 HydrophobicContact CG-CB 4.41Å; E333-R385 VanDerWaalsContact OE1-CD 3.32Å; E333-R385 WeakPolarHBondContact OE1-CD 3.46Å; E333-R385 IonicContact OE1-CZ 3.17Å; E333-R385 IonicContact OE1-NE 2.82Å; E333-R385 PolarHBondContact OE1-NE 2.9Å; E333-R385 IonicContact OE1-NH1 3.54Å; E333-R385 PolarHBondContact OE1-NH1 2.98Å; E333-R385 IonicContact OE1-NH2 3.94Å |
| 334 | L | 90.1 | Very high | 82.6 | Confident | 38 Ų | 38 | 71.5 Ų | 71.5 | 20% | 0.199 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.1 | 168 | -167.2 | 74.7 | 0 | 0 | 0 | 108.6 | S342 R343 V380 Y382 | L334-S342 WeakPolarHBondContact O-CA 3.46Å; L334-R343 PolarHBondContact N-O 2.93Å; L334-R343 PolarHBondContact O-N 2.86Å; L334-V380 HydrophobicContact CD1-CB 4.37Å; L334-V380 HydrophobicContact CD1-CG1 3.25Å; L334-V380 HydrophobicContact CD2-CG1 4.03Å; L334-V380 HydrophobicContact CG-CG1 3.45Å; L334-V380 VanDerWaalsContact CG-CG1 3.45Å; L334-Y382 HydrophobicContact CD1-CD1 3.67Å; L334-Y382 HydrophobicContact CD1-CD2 4.2Å; L334-Y382 HydrophobicContact CD1-CE1 3.3Å; L334-Y382 HydrophobicContact CD1-CE2 3.86Å; L334-Y382 HydrophobicContact CD1-CG 4.11Å; L334-Y382 VanDerWaalsContact CD1-CZ 3.4Å |
| 335 | R | 87.8 | Confident | 82.3 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 134.8 | -178.1 | -61.4 | -179.1 | -179.7 | 179 | -0.9 | 109.6 | E333 V380 R381 S397 E399 | E333-R335 IonicContact OE2-CZ 3.79Å; E333-R335 IonicContact OE2-NE 3.35Å; E333-R335 PolarHBondContact OE2-NE 2.84Å; E333-R335 IonicContact OE2-NH2 3.07Å; E333-R335 PolarHBondContact OE2-NH2 3.13Å; R335-V380 WeakPolarHBondContact O-CG1 3.25Å; R335-R381 HydrophobicContact CB-CB 4.25Å; R335-R381 PolarHBondContact N-O 2.82Å; R335-R381 PolarHBondContact O-N 2.87Å; R335-S397 PolarHBondContact NH1-OG 2.81Å; R335-S397 PolarHBondContact NH2-OG 3.39Å; R335-E399 IonicContact NH1-OE2 3.48Å |
| 336 | G | 74 | Confident | 82.1 | Confident | 44 Ų | 44 | 73.6 Ų | 73.6 | 45% | 0.454 | 42% | 0.415 | S | S | . | . | trans | 97.3 | 27.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 337 | G | 63.4 | Low | 81.9 | Confident | 26 Ų | 26 | 69.3 Ų | 69.3 | 27% | 0.268 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -79.4 | 174 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E339 G340 | G337-E339 PolarHBondContact O-N 2.79Å; G337-G340 PolarHBondContact O-N 3.38Å |
| 338 | P | 53.9 | Low | 82.1 | Confident | 141 Ų | 141 | 74.1 Ų | 74.1 | 92% | 0.916 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -13.4 | -177.8 | 19.7 | -31.5 | 0 | 0 | 0 | 115.3 | ||
| 339 | E | 54.4 | Low | 82.1 | Confident | 138 Ų | 138 | 77 Ų | 77 | 65% | 0.645 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -0.3 | 178.5 | -79 | -174.6 | -147.5 | 0 | 0 | 115.2 | G337 S341 R343 | G337-E339 PolarHBondContact O-N 2.79Å; E339-S341 PolarHBondContact O-N 3.04Å; E339-R343 IonicContact OE1-NH2 2.87Å; E339-R343 PolarHBondContact OE1-NH2 3.22Å; E339-R343 IonicContact OE2-CZ 3.75Å; E339-R343 IonicContact OE2-NH2 2.66Å; E339-R343 PolarHBondContact OE2-NH2 3.37Å |
| 340 | G | 58.7 | Low | 82.2 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 73% | 0.732 | 43% | 0.429 | S | S | * | . | trans | 64.1 | -1.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | G337 | G337-G340 PolarHBondContact O-N 3.38Š| ||
| 341 | S | 64.1 | Low | 82.1 | Confident | 55 Ų | 55 | 78.8 Ų | 78.8 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -93 | 147.2 | 178.6 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | E339 R343 | E339-S341 PolarHBondContact O-N 3.04Å; S341-R343 PolarHBondContact O-N 2.91Å |
| 342 | S | 78.3 | Confident | 82.2 | Confident | 70 Ų | 70 | 77 Ų | 77 | 49% | 0.49 | 44% | 0.435 | S | S | . | . | trans | -71.9 | 121 | 170.1 | 58.6 | 0 | 0 | 0 | 0 | 109.5 | L334 | L334-S342 WeakPolarHBondContact O-CA 3.46Š| ||
| 343 | R | 86.1 | Confident | 82.1 | Confident | 111 Ų | 111 | 82 Ų | 82 | 42% | 0.419 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 158.8 | 177.4 | -63.7 | 178.8 | 177 | -171.4 | -5 | 110.1 | E333 L334 E339 S341 A345 | E333-R343 CarbonylContact C-O 3.52Å; E333-R343 WeakPolarHBondContact CA-O 3.47Å; L334-R343 PolarHBondContact N-O 2.93Å; L334-R343 PolarHBondContact O-N 2.86Å; E339-R343 IonicContact OE1-NH2 2.87Å; E339-R343 PolarHBondContact OE1-NH2 3.22Å; E339-R343 IonicContact OE2-CZ 3.75Å; E339-R343 IonicContact OE2-NH2 2.66Å; E339-R343 PolarHBondContact OE2-NH2 3.37Å; S341-R343 PolarHBondContact O-N 2.91Å; R343-A345 PolarHBondContact O-N 2.88Å |
| 344 | K | 88.3 | Confident | 82.2 | Confident | 191 Ų | 191 | 83.1 Ų | 83.1 | 83% | 0.83 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 131.2 | 171.2 | -170.4 | 173 | -178.8 | 177.2 | 0 | 109 | ||
| 345 | A | 88.4 | Confident | 82.5 | Confident | 11 Ų | 11 | 87.3 Ų | 87.3 | 9% | 0.091 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 140.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | W332 R343 L368 Y382 | W332-A345 HydrophobicContact CB-CB 3.85Å; W332-A345 PolarHBondContact O-N 3.28Å; R343-A345 PolarHBondContact O-N 2.88Å; A345-L368 HydrophobicContact CB-CD2 4.17Å; A345-Y382 HydrophobicContact CB-CD1 4.09Å; A345-Y382 HydrophobicContact CB-CE1 4.18Å |
| 346 | E | 88 | Confident | 82.9 | Confident | 148 Ų | 148 | 90.8 Ų | 90.8 | 69% | 0.692 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 149.4 | 172.6 | -64.3 | 179.7 | -173.9 | 0 | 0 | 110.4 | ||
| 347 | G | 89.1 | Confident | 83.9 | Confident | 44 Ų | 44 | 91.7 Ų | 91.7 | 45% | 0.454 | 50% | 0.499 | S | S | . | . | S | Bend | trans | 138.1 | -179.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q369 | G347-Q369 CarbonylContact C-O 3.51Å; G347-Q369 VanDerWaalsContact CA-O 3.25Å; G347-Q369 WeakPolarHBondContact CA-O 3.4Å |
| 348 | K | 93.1 | Very high | 85.3 | Confident | 147 Ų | 147 | 97 Ų | 97 | 64% | 0.639 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.1 | 173.2 | -64.3 | 178.2 | -176.9 | 175.4 | 0 | 108.8 | W350 Q369 | K348-W350 HydrophobicContact CB-CE3 4.31Å; K348-W350 HydrophobicContact CB-CZ3 3.87Å; K348-Q369 HydrophobicContact CB-CB 4.32Å; K348-Q369 PolarHBondContact N-O 3.5Å; K348-Q369 PolarHBondContact O-N 2.87Å |
| 349 | T | 95.6 | Very high | 87 | Confident | 88 Ų | 88 | 92.9 Ų | 92.9 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 137.4 | 179.4 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | W332 H367 L368 | W332-T349 HydrophobicContact CG-CG2 4.43Å; T349-H367 VanDerWaalsContact CA-O 3.29Å; T349-H367 WeakPolarHBondContact CA-O 3.29Å; T349-L368 HydrophobicContact CG2-CD1 3.59Å |
| 350 | W | 94.8 | Very high | 88.8 | Confident | 103 Ų | 103 | 87.6 Ų | 87.6 | 39% | 0.39 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 168 | 170.8 | 59.3 | 92.5 | 0 | 0 | 0 | 110 | E314 K348 H367 Q369 | E314-W350 HydrophobicContact CG-CZ2 4.48Å; E314-W350 WeakPolarHBondContact OE1-CZ2 3.27Å; K348-W350 HydrophobicContact CB-CE3 4.31Å; K348-W350 HydrophobicContact CB-CZ3 3.87Å; W350-H367 AromaticContact CD1-CD2 3.79Å; W350-H367 AromaticContact CD1-CG 3.78Å; W350-H367 HydrophobicContact CD2-CB 3.79Å; W350-H367 AromaticContact CE2-CG 3.86Å; W350-H367 HydrophobicContact CG-CB 4Å; W350-H367 HydrophobicContact CZ2-CB 3.76Å; W350-H367 PolarHBondContact N-O 2.86Å; W350-H367 AromaticContact NE1-CD2 3.66Å; W350-H367 AromaticContact NE1-CG 3.27Å; W350-H367 VanDerWaalsContact NE1-CG 3.27Å; W350-H367 AromaticContact NE1-ND1 3.77Å; W350-H367 PolarHBondContact O-N 3.34Å; W350-Q369 HydrophobicContact CH2-CB 3.76Å; W350-Q369 HydrophobicContact CZ3-CB 3.83Å |
| 351 | V | 95 | Very high | 90.5 | Very high | 75 Ų | 75 | 84.2 Ų | 84.2 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 138.6 | -178 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | Q364 S365 | V351-Q364 HydrophobicContact CG1-CG 3.44Å; V351-Q364 VanDerWaalsContact CG1-CG 3.44Å; V351-Q364 VanDerWaalsContact CG1-NE2 3.3Å; V351-S365 WeakPolarHBondContact CA-O 3.14Å |
| 352 | S | 94.7 | Very high | 92.1 | Very high | 27 Ų | 27 | 81.8 Ų | 81.8 | 19% | 0.189 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 163.5 | 176.1 | 79.4 | 0 | 0 | 0 | 0 | 111.4 | Q364 S365 | S352-Q364 WeakPolarHBondContact O-CG 3.35Å; S352-Q364 PolarHBondContact O-NE2 2.8Å; S352-S365 PolarHBondContact N-O 3.36Å; S352-S365 PolarHBondContact OG-N 3.47Å |
| 353 | T | 94.2 | Very high | 93 | Very high | 122 Ų | 122 | 78.6 Ų | 78.6 | 75% | 0.748 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 156.6 | 163.6 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 354 | V | 95.3 | Very high | 93.5 | Very high | 34 Ų | 34 | 75 Ų | 75 | 21% | 0.206 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 135.2 | 179.1 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | E325 V362 | E325-V354 HydrophobicContact CG-CG1 4.32Å; E325-V354 HydrophobicContact CG-CG2 4.32Å; E325-V354 WeakPolarHBondContact OE1-CG2 3.27Å; V354-V362 HydrophobicContact CG1-CB 3.66Å; V354-V362 HydrophobicContact CG1-CG1 3.84Å; V354-V362 HydrophobicContact CG1-CG2 4.37Å |
| 355 | R | 95.8 | Very high | 93.9 | Very high | 126 Ų | 126 | 66.1 Ų | 66.1 | 48% | 0.475 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121 | 173.9 | -68.9 | -173 | -71.5 | -135 | -4.1 | 109.6 | V362 S363 S365 | R355-V362 CarbonylContact O-C 3.55Å; R355-V362 VanDerWaalsContact O-CA 3.28Å; R355-V362 WeakPolarHBondContact O-CA 3.39Å; R355-S363 PolarHBondContact N-O 2.69Å; R355-S363 PolarHBondContact O-N 2.9Å; R355-S365 PolarHBondContact NH2-OG 2.92Å; R355-S365 VanDerWaalsContact NH2-OG 3.08Å |
| 356 | H | 95.3 | Very high | 94.2 | Very high | 135 Ų | 135 | 65.6 Ų | 65.6 | 63% | 0.625 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 140.3 | 176.4 | -59.7 | -83.4 | 0 | 0 | 0 | 111.1 | E325 V362 | E325-H356 IonicContact OE2-CE1 3.54Å; H356-V362 WeakPolarHBondContact ND1-CG1 3.23Å |
| 357 | H | 95.3 | Very high | 94.7 | Very high | 63 Ų | 63 | 59.8 Ų | 59.8 | 29% | 0.292 | 33% | 0.329 | S | S | . | . | trans | -106 | 160.5 | 175.9 | -64.6 | -83.5 | 0 | 0 | 0 | 111 | H321 D359 G360 S361 S363 | H321-H357 AromaticContact CE1-CD2 3.85Å; H321-H357 AromaticContact CE1-CE1 3.4Å; H321-H357 PolarHBondContact CE1-CE1 3.14Å; H321-H357 AromaticContact CE1-CG 3.66Å; H321-H357 AromaticContact CE1-ND1 3.38Å; H321-H357 PolarHBondContact CE1-ND1 3.23Å; H321-H357 AromaticContact CE1-NE2 3.68Å; H321-H357 AromaticContact ND1-CD2 3.7Å; H321-H357 AromaticContact ND1-CE1 3.97Å; H321-H357 AromaticContact ND1-CG 3.8Å; H321-H357 AromaticContact ND1-ND1 3.98Å; H321-H357 AromaticContact ND1-NE2 3.81Å; H321-H357 AromaticContact NE2-CE1 3.92Å; H357-D359 WeakPolarHBondContact CB-OD1 3.46Å; H357-D359 PolarHBondContact O-N 2.9Å; H357-G360 PolarHBondContact O-N 2.83Å; H357-S361 WeakPolarHBondContact CB-O 3.44Å; H357-S361 PolarHBondContact CD2-O 2.86Å; H357-S361 PolarHBondContact N-O 3.07Å; H357-S363 WeakPolarHBondContact NE2-CB 3.06Å; H357-S363 PolarHBondContact NE2-OG 2.8Å | ||
| 358 | S | 92.4 | Very high | 95 | Very high | 138 Ų | 138 | 57.7 Ų | 57.7 | 97% | 0.965 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -23.4 | 178.2 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | G360 | S358-G360 PolarHBondContact O-N 3.36Š|
| 359 | D | 91.2 | Very high | 95.1 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -2 | 172.9 | 73.2 | -15.8 | 0 | 0 | 0 | 112.8 | L173 K292 H357 S361 | L173-D359 HydrophobicContact CD2-CB 4.19Å; K292-D359 IonicContact NZ-OD2 3.28Å; K292-D359 PolarHBondContact NZ-OD2 2.98Å; H357-D359 WeakPolarHBondContact CB-OD1 3.46Å; H357-D359 PolarHBondContact O-N 2.9Å; D359-S361 VanDerWaalsContact C-N 3.28Å; D359-S361 VanDerWaalsContact CG-OG 3.23Å; D359-S361 PolarHBondContact O-N 2.8Å; D359-S361 VanDerWaalsContact OD1-CB 3.29Å; D359-S361 WeakPolarHBondContact OD1-CB 3.39Å; D359-S361 PolarHBondContact OD1-N 2.03Å; D359-S361 PolarHBondContact OD1-OG 2.77Å; D359-S361 PolarHBondContact OD2-OG 2.86Å; D359-S361 VanDerWaalsContact OD2-OG 3.1Å |
| 360 | G | 91.4 | Very high | 94.9 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 83.3 | -5.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | H357 S358 | H357-G360 PolarHBondContact O-N 2.83Å; S358-G360 PolarHBondContact O-N 3.36Å |
| 361 | S | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -73.2 | 162.9 | 172.1 | 69.9 | 0 | 0 | 0 | 0 | 111.4 | H321 H357 D359 | H321-S361 PolarHBondContact ND1-OG 2.79Å; H321-S361 VanDerWaalsContact ND1-OG 3.09Å; H357-S361 WeakPolarHBondContact CB-O 3.44Å; H357-S361 PolarHBondContact CD2-O 2.86Å; H357-S361 PolarHBondContact N-O 3.07Å; D359-S361 VanDerWaalsContact C-N 3.28Å; D359-S361 VanDerWaalsContact CG-OG 3.23Å; D359-S361 PolarHBondContact O-N 2.8Å; D359-S361 VanDerWaalsContact OD1-CB 3.29Å; D359-S361 WeakPolarHBondContact OD1-CB 3.39Å; D359-S361 PolarHBondContact OD1-N 2.03Å; D359-S361 PolarHBondContact OD1-OG 2.77Å; D359-S361 PolarHBondContact OD2-OG 2.86Å; D359-S361 VanDerWaalsContact OD2-OG 3.1Å | ||
| 362 | V | 96.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 163.4 | 178 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | H321 F322 E325 V354 R355 H356 | H321-V362 WeakPolarHBondContact CA-O 3.44Å; H321-V362 PolarHBondContact N-O 2.84Å; F322-V362 HydrophobicContact CD1-CG2 4.3Å; F322-V362 VanDerWaalsContact CD1-O 3.32Å; F322-V362 WeakPolarHBondContact CD1-O 3.28Å; F322-V362 HydrophobicContact CD2-CG2 3.84Å; F322-V362 HydrophobicContact CE1-CG2 3.98Å; F322-V362 HydrophobicContact CE2-CG2 3.48Å; F322-V362 VanDerWaalsContact CE2-CG2 3.48Å; F322-V362 HydrophobicContact CG-CG2 4.22Å; F322-V362 HydrophobicContact CZ-CG2 3.53Å; F322-V362 PolarHBondContact N-O 2.93Å; F322-V362 WeakPolarHBondContact O-CG2 3.49Å; F322-V362 PolarHBondContact O-N 3.12Å; E325-V362 HydrophobicContact CB-CG2 4.18Å; V354-V362 HydrophobicContact CG1-CB 3.66Å; V354-V362 HydrophobicContact CG1-CG1 3.84Å; V354-V362 HydrophobicContact CG1-CG2 4.37Å; R355-V362 CarbonylContact O-C 3.55Å; R355-V362 VanDerWaalsContact O-CA 3.28Å; R355-V362 WeakPolarHBondContact O-CA 3.39Å; H356-V362 WeakPolarHBondContact ND1-CG1 3.23Å |
| 363 | S | 97.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 144.4 | 174.3 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | V319 S320 H321 R355 H357 | V319-S363 VanDerWaalsContact O-CA 3.29Å; V319-S363 WeakPolarHBondContact O-CA 3.48Å; V319-S363 WeakPolarHBondContact O-CB 3.27Å; S320-S363 WeakPolarHBondContact CA-OG 3.05Å; H321-S363 PolarHBondContact N-OG 3.44Å; R355-S363 PolarHBondContact N-O 2.69Å; R355-S363 PolarHBondContact O-N 2.9Å; H357-S363 WeakPolarHBondContact NE2-CB 3.06Å; H357-S363 PolarHBondContact NE2-OG 2.8Å |
| 364 | Q | 96.6 | Very high | 93.7 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 17% | 0.168 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 151.8 | -178.1 | -163.6 | 172 | 43.6 | 0 | 0 | 109.4 | V319 F322 L328 V351 S352 | V319-Q364 WeakPolarHBondContact CA-O 3.3Å; V319-Q364 WeakPolarHBondContact CB-O 3.46Å; V319-Q364 PolarHBondContact N-O 3.44Å; V319-Q364 PolarHBondContact O-N 2.75Å; V319-Q364 VanDerWaalsContact O-O 3.12Å; F322-Q364 HydrophobicContact CE1-CB 4.26Å; F322-Q364 HydrophobicContact CZ-CB 4.37Å; L328-Q364 HydrophobicContact CD2-CB 4Å; V351-Q364 HydrophobicContact CG1-CG 3.44Å; V351-Q364 VanDerWaalsContact CG1-CG 3.44Å; V351-Q364 VanDerWaalsContact CG1-NE2 3.3Å; S352-Q364 WeakPolarHBondContact O-CG 3.35Å; S352-Q364 PolarHBondContact O-NE2 2.8Å |
| 365 | S | 96.3 | Very high | 93 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.1 | -180 | -39.9 | 0 | 0 | 0 | 0 | 109.4 | C317 V351 S352 R355 H367 | C317-S365 CarbonylContact O-C 3.59Å; C317-S365 VanDerWaalsContact O-CA 3.3Å; C317-S365 WeakPolarHBondContact O-CA 3.49Å; V351-S365 WeakPolarHBondContact CA-O 3.14Å; S352-S365 PolarHBondContact N-O 3.36Å; S352-S365 PolarHBondContact OG-N 3.47Å; R355-S365 PolarHBondContact NH2-OG 2.92Å; R355-S365 VanDerWaalsContact NH2-OG 3.08Å; S365-H367 PolarHBondContact O-CD2 2.93Å |
| 366 | G | 96.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 139 | 168 | 0 | 0 | 0 | 0 | 0 | 109.7 | C317 | C317-G366 PolarHBondContact N-O 2.84Å; C317-G366 PolarHBondContact O-N 2.84Å |
| 367 | H | 96.8 | Very high | 91.5 | Very high | 26 Ų | 26 | 46.2 Ų | 46.2 | 12% | 0.12 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 137.3 | -178.3 | -63.9 | -102.7 | 0 | 0 | 0 | 109.1 | E314 L315 T349 W350 S365 | E314-H367 WeakPolarHBondContact OE1-CB 3.28Å; E314-H367 IonicContact OE1-CE1 3.89Å; E314-H367 IonicContact OE1-CG 3.42Å; E314-H367 IonicContact OE1-ND1 2.73Å; E314-H367 PolarHBondContact OE1-ND1 2.95Å; L315-H367 WeakPolarHBondContact O-CA 3.06Å; T349-H367 VanDerWaalsContact CA-O 3.29Å; T349-H367 WeakPolarHBondContact CA-O 3.29Å; W350-H367 AromaticContact CD1-CD2 3.79Å; W350-H367 AromaticContact CD1-CG 3.78Å; W350-H367 HydrophobicContact CD2-CB 3.79Å; W350-H367 AromaticContact CE2-CG 3.86Å; W350-H367 HydrophobicContact CG-CB 4Å; W350-H367 HydrophobicContact CZ2-CB 3.76Å; W350-H367 PolarHBondContact N-O 2.86Å; W350-H367 AromaticContact NE1-CD2 3.66Å; W350-H367 AromaticContact NE1-CG 3.27Å; W350-H367 VanDerWaalsContact NE1-CG 3.27Å; W350-H367 AromaticContact NE1-ND1 3.77Å; W350-H367 PolarHBondContact O-N 3.34Å; S365-H367 PolarHBondContact O-CD2 2.93Å |
| 368 | L | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 116.7 | 174 | 172.2 | 66.1 | 0 | 0 | 0 | 109.6 | L315 W332 A345 T349 L370 Y382 | L315-L368 HydrophobicContact CB-CB 4.33Å; L315-L368 HydrophobicContact CD1-CD2 4.31Å; L315-L368 PolarHBondContact N-O 2.79Å; L315-L368 PolarHBondContact O-N 2.99Å; W332-L368 HydrophobicContact CB-CD2 4.06Å; W332-L368 HydrophobicContact CD2-CB 3.69Å; W332-L368 HydrophobicContact CD2-CD2 3.64Å; W332-L368 HydrophobicContact CD2-CG 4.24Å; W332-L368 VanDerWaalsContact CE2-CB 3.48Å; W332-L368 HydrophobicContact CE3-CB 4.05Å; W332-L368 HydrophobicContact CE3-CD2 3.48Å; W332-L368 VanDerWaalsContact CE3-CD2 3.48Å; W332-L368 HydrophobicContact CE3-CG 4.41Å; W332-L368 HydrophobicContact CG-CB 4.14Å; W332-L368 HydrophobicContact CG-CD2 3.9Å; W332-L368 HydrophobicContact CG-CG 4.44Å; W332-L368 HydrophobicContact CH2-CB 4Å; W332-L368 HydrophobicContact CZ2-CB 3.66Å; W332-L368 HydrophobicContact CZ3-CB 4.17Å; W332-L368 HydrophobicContact CZ3-CD2 4.02Å; A345-L368 HydrophobicContact CB-CD2 4.17Å; T349-L368 HydrophobicContact CG2-CD1 3.59Å; L368-L370 HydrophobicContact CD1-CD2 4.36Å; L368-L370 HydrophobicContact CD2-CD2 3.74Å; L368-L370 HydrophobicContact CD2-CG 4.44Å; L368-L370 HydrophobicContact CG-CD2 3.95Å; L368-L370 HydrophobicContact CG-CG 4.35Å; L368-Y382 HydrophobicContact CD2-CD1 4.3Å |
| 369 | Q | 95.2 | Very high | 90.7 | Very high | 86 Ų | 86 | 41.3 Ų | 41.3 | 40% | 0.402 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 113.9 | 170.1 | -172.5 | 176.8 | 19.6 | 0 | 0 | 109.4 | G347 K348 W350 | G347-Q369 CarbonylContact C-O 3.51Å; G347-Q369 VanDerWaalsContact CA-O 3.25Å; G347-Q369 WeakPolarHBondContact CA-O 3.4Å; K348-Q369 HydrophobicContact CB-CB 4.32Å; K348-Q369 PolarHBondContact N-O 3.5Å; K348-Q369 PolarHBondContact O-N 2.87Å; W350-Q369 HydrophobicContact CH2-CB 3.76Å; W350-Q369 HydrophobicContact CZ3-CB 3.83Å |
| 370 | L | 91.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -78.6 | 146.1 | -178.1 | -67.2 | 174.4 | 0 | 0 | 0 | 111.5 | P312 L315 L368 Y382 | P312-L370 HydrophobicContact CB-CD1 4.09Å; P312-L370 HydrophobicContact CG-CB 4.21Å; P312-L370 HydrophobicContact CG-CD1 3.98Å; L315-L370 HydrophobicContact CD1-CD1 4.03Å; L315-L370 HydrophobicContact CG-CD1 4.3Å; L368-L370 HydrophobicContact CD1-CD2 4.36Å; L368-L370 HydrophobicContact CD2-CD2 3.74Å; L368-L370 HydrophobicContact CD2-CG 4.44Å; L368-L370 HydrophobicContact CG-CD2 3.95Å; L368-L370 HydrophobicContact CG-CG 4.35Å; L370-Y382 HydrophobicContact CD1-CD2 4.18Å; L370-Y382 HydrophobicContact CD1-CE1 4.22Å; L370-Y382 HydrophobicContact CD1-CE2 3.86Å; L370-Y382 HydrophobicContact CD2-CD1 3.88Å; L370-Y382 HydrophobicContact CD2-CE1 3.27Å; L370-Y382 HydrophobicContact CD2-CE2 4.37Å; L370-Y382 HydrophobicContact CG-CE1 4.41Å |
| 371 | P | 90 | Very high | 90.6 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 31% | 0.305 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -69.6 | 167.1 | 168.6 | 31.5 | -34.4 | 0 | 0 | 0 | 111.2 | V373 | P371-V373 PolarHBondContact O-N 2.98Š|
| 372 | P | 90.3 | Very high | 90.4 | Very high | 80 Ų | 80 | 43.1 Ų | 43.1 | 52% | 0.519 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -52.8 | 132.3 | 172.9 | -27.6 | 36.4 | 0 | 0 | 0 | 112.7 | E310 | E310-P372 WeakPolarHBondContact O-CA 3.23Š|
| 373 | V | 88.3 | Confident | 90.3 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -85.6 | 151.4 | -172.4 | -66.9 | 0 | 0 | 0 | 0 | 112.9 | A306 G309 E310 P312 P371 Q377 L402 V404 | A306-V373 HydrophobicContact CB-CG2 3.65Å; G309-V373 PolarHBondContact N-O 2.75Å; E310-V373 WeakPolarHBondContact O-CG2 3.49Å; E310-V373 PolarHBondContact O-N 2.94Å; P312-V373 HydrophobicContact CG-CG1 3.45Å; P312-V373 VanDerWaalsContact CG-CG1 3.45Å; P371-V373 PolarHBondContact O-N 2.98Å; V373-Q377 VanDerWaalsContact CA-OE1 3.28Å; V373-L402 HydrophobicContact CB-CD2 4.3Å; V373-L402 HydrophobicContact CG1-CD1 4.37Å; V373-L402 HydrophobicContact CG1-CD2 3.55Å; V373-V404 HydrophobicContact CB-CG2 4.49Å; V373-V404 HydrophobicContact CG2-CG2 4.21Å |
| 374 | T | 84.6 | Confident | 90.2 | Very high | 77 Ų | 77 | 42.8 Ų | 42.8 | 47% | 0.472 | 22% | 0.222 | S | C | . | . | trans | -111.3 | 159.2 | 172.3 | 60.7 | 0 | 0 | 0 | 0 | 110.6 | K376 Q377 | T374-K376 PolarHBondContact O-N 2.96Å; T374-Q377 WeakPolarHBondContact O-CB 3.38Å; T374-Q377 PolarHBondContact O-N 3.1Å | ||
| 375 | D | 80.1 | Confident | 90.1 | Very high | 80 Ų | 80 | 43.9 Ų | 43.9 | 43% | 0.428 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -54.9 | -27.1 | -179.5 | -52.2 | -29.6 | 0 | 0 | 0 | 113.5 | P308 Q377 H378 F407 | P308-D375 WeakPolarHBondContact CB-OD1 3.33Å; P308-D375 VanDerWaalsContact CG-OD1 3.28Å; P308-D375 WeakPolarHBondContact CG-OD1 3.48Å; D375-Q377 PolarHBondContact O-N 2.98Å; D375-H378 PolarHBondContact O-N 2.91Å; D375-F407 HydrophobicContact CB-CD2 4.41Å; D375-F407 HydrophobicContact CB-CE2 3.83Å |
| 376 | K | 79.5 | Confident | 90.2 | Very high | 196 Ų | 196 | 43.7 Ų | 43.7 | 85% | 0.852 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -69.7 | -12.1 | 178.8 | -62.8 | -177.2 | -178.7 | 178.3 | 0 | 114.1 | T374 | T374-K376 PolarHBondContact O-N 2.96Š|
| 377 | Q | 80.6 | Confident | 90.1 | Very high | 41 Ų | 41 | 48 Ų | 48 | 19% | 0.192 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -98.9 | 3.1 | -177.1 | -66.1 | 171 | -41.9 | 0 | 0 | 113 | V373 T374 D375 V380 L402 | V373-Q377 VanDerWaalsContact CA-OE1 3.28Å; T374-Q377 WeakPolarHBondContact O-CB 3.38Å; T374-Q377 PolarHBondContact O-N 3.1Å; D375-Q377 PolarHBondContact O-N 2.98Å; Q377-V380 WeakPolarHBondContact O-CB 3.42Å; Q377-V380 WeakPolarHBondContact O-CG2 3.45Å; Q377-V380 PolarHBondContact O-N 2.77Å; Q377-L402 HydrophobicContact CB-CD2 4Å |
| 378 | H | 85.1 | Confident | 90.1 | Very high | 61 Ų | 61 | 47.2 Ų | 47.2 | 28% | 0.282 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 132.2 | 172.6 | 178.3 | 85.5 | 0 | 0 | 0 | 111.2 | D375 V380 E403 V404 | D375-H378 PolarHBondContact O-N 2.91Å; H378-V380 VanDerWaalsContact C-N 3.26Å; H378-V380 PolarHBondContact O-N 2.84Å; H378-E403 IonicContact CE1-OE2 2.79Å; H378-E403 PolarHBondContact CE1-OE2 2.75Å; H378-E403 IonicContact ND1-OE2 3.36Å; H378-E403 PolarHBondContact ND1-OE2 2.95Å; H378-E403 IonicContact NE2-OE2 3.54Å; H378-V404 HydrophobicContact CB-CB 4.09Å; H378-V404 HydrophobicContact CB-CG2 4.06Å; H378-V404 PolarHBondContact ND1-N 2.79Å; H378-V404 PolarHBondContact ND1-O 2.77Å |
| 379 | G | 85.5 | Confident | 89.9 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 37% | 0.371 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 3.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | L402 | G379-L402 PolarHBondContact N-O 3Š|
| 380 | V | 88.8 | Confident | 89.9 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 143.4 | 178.2 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | L334 R335 Q377 H378 L402 | L334-V380 HydrophobicContact CD1-CB 4.37Å; L334-V380 HydrophobicContact CD1-CG1 3.25Å; L334-V380 HydrophobicContact CD2-CG1 4.03Å; L334-V380 HydrophobicContact CG-CG1 3.45Å; L334-V380 VanDerWaalsContact CG-CG1 3.45Å; R335-V380 WeakPolarHBondContact O-CG1 3.25Å; Q377-V380 WeakPolarHBondContact O-CB 3.42Å; Q377-V380 WeakPolarHBondContact O-CG2 3.45Å; Q377-V380 PolarHBondContact O-N 2.77Å; H378-V380 VanDerWaalsContact C-N 3.26Å; H378-V380 PolarHBondContact O-N 2.84Å; V380-L402 PolarHBondContact O-N 3.3Å |
| 381 | R | 91.5 | Very high | 90 | Very high | 101 Ų | 101 | 48.4 Ų | 48.4 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.3 | -179.2 | -71.7 | 176.6 | -79.7 | 166.1 | -7.8 | 111.5 | R335 E399 V400 T401 | R335-R381 HydrophobicContact CB-CB 4.25Å; R335-R381 PolarHBondContact N-O 2.82Å; R335-R381 PolarHBondContact O-N 2.87Å; R381-E399 IonicContact NH1-OE1 3.42Å; R381-E399 PolarHBondContact NH1-OE1 2.81Å; R381-E399 IonicContact NH1-OE2 3.8Å; R381-V400 CarbonylContact C-O 3.46Å; R381-V400 VanDerWaalsContact CA-O 3.27Å; R381-V400 WeakPolarHBondContact CA-O 3.49Å; R381-T401 HydrophobicContact CG-CG2 4.4Å |
| 382 | Y | 92.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133.2 | 167.5 | -71.7 | -87.1 | 0 | 0 | 0 | 109.2 | L315 E333 L334 A345 L368 L370 E399 V400 L402 | L315-Y382 HydrophobicContact CD1-CG 4.14Å; E333-Y382 CarbonylContact O-C 3.52Å; E333-Y382 WeakPolarHBondContact O-CA 3.47Å; L334-Y382 HydrophobicContact CD1-CD1 3.67Å; L334-Y382 HydrophobicContact CD1-CD2 4.2Å; L334-Y382 HydrophobicContact CD1-CE1 3.3Å; L334-Y382 HydrophobicContact CD1-CE2 3.86Å; L334-Y382 HydrophobicContact CD1-CG 4.11Å; L334-Y382 VanDerWaalsContact CD1-CZ 3.4Å; A345-Y382 HydrophobicContact CB-CD1 4.09Å; A345-Y382 HydrophobicContact CB-CE1 4.18Å; L368-Y382 HydrophobicContact CD2-CD1 4.3Å; L370-Y382 HydrophobicContact CD1-CD2 4.18Å; L370-Y382 HydrophobicContact CD1-CE1 4.22Å; L370-Y382 HydrophobicContact CD1-CE2 3.86Å; L370-Y382 HydrophobicContact CD2-CD1 3.88Å; L370-Y382 HydrophobicContact CD2-CE1 3.27Å; L370-Y382 HydrophobicContact CD2-CE2 4.37Å; L370-Y382 HydrophobicContact CG-CE1 4.41Å; Y382-E399 CarbonylContact O-C 3.6Å; Y382-E399 WeakPolarHBondContact O-CA 3.23Å; Y382-V400 PolarHBondContact N-O 3.09Å; Y382-V400 PolarHBondContact O-N 2.9Å; Y382-L402 HydrophobicContact CD2-CB 4.22Å; Y382-L402 HydrophobicContact CE2-CB 4Å; Y382-L402 HydrophobicContact CE2-CD2 3.88Å |
| 383 | A | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 132 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E333 A398 E399 | E333-A383 HydrophobicContact CB-CB 4.37Å; E333-A383 PolarHBondContact N-O 2.93Å; E333-A383 PolarHBondContact O-N 2.8Å; A383-A398 CarbonylContact C-O 3.58Å; A383-A398 WeakPolarHBondContact CA-O 3.37Å; A383-E399 HydrophobicContact CB-CB 4.15Å |
| 384 | C | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 113.4 | 165.4 | 173.5 | 0 | 0 | 0 | 0 | 108.3 | L298 C317 V330 E331 W332 S397 A398 | L298-C384 HydrophobicContact CD1-CB 3.65Å; C317-C384 HydrophobicContact CB-CB 3.53Å; C317-C384 WeakPolarHBondContact CB-SG 3.28Å; C317-C384 WeakPolarHBondContact SG-CB 2.96Å; C317-C384 CovalentContact SG-SG 2.02Å; C317-C384 PolarHBondContact SG-SG 3.44Å; V330-C384 VanDerWaalsContact CG1-SG 3.55Å; E331-C384 CarbonylContact O-C 3.6Å; E331-C384 WeakPolarHBondContact O-CA 3.48Å; W332-C384 HydrophobicContact CD2-CB 4.41Å; W332-C384 HydrophobicContact CE3-CB 3.99Å; W332-C384 HydrophobicContact CH2-CB 4.05Å; W332-C384 HydrophobicContact CZ2-CB 4.42Å; W332-C384 HydrophobicContact CZ3-CB 3.83Å; C384-S397 CarbonylContact O-C 3.55Å; C384-S397 WeakPolarHBondContact O-CA 3.41Å; C384-A398 PolarHBondContact N-O 2.87Å; C384-A398 PolarHBondContact O-N 3.14Å |
| 385 | R | 94.9 | Very high | 90.3 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 122.6 | 176 | -175.5 | 169.7 | 77.5 | -175.5 | 5 | 109.8 | E331 E333 | E331-R385 HydrophobicContact CB-CB 4.35Å; E331-R385 PolarHBondContact N-O 2.88Å; E331-R385 PolarHBondContact O-N 2.96Å; E331-R385 IonicContact OE1-NH2 2.69Å; E331-R385 IonicContact OE2-CZ 3.93Å; E331-R385 IonicContact OE2-NE 2.63Å; E331-R385 PolarHBondContact OE2-NE 2.8Å; E331-R385 IonicContact OE2-NH2 2.81Å; E331-R385 PolarHBondContact OE2-NH2 2.69Å; E333-R385 HydrophobicContact CG-CB 4.41Å; E333-R385 VanDerWaalsContact OE1-CD 3.32Å; E333-R385 WeakPolarHBondContact OE1-CD 3.46Å; E333-R385 IonicContact OE1-CZ 3.17Å; E333-R385 IonicContact OE1-NE 2.82Å; E333-R385 PolarHBondContact OE1-NE 2.9Å; E333-R385 IonicContact OE1-NH1 3.54Å; E333-R385 PolarHBondContact OE1-NH1 2.98Å; E333-R385 IonicContact OE1-NH2 3.94Å |
| 386 | V | 96.8 | Very high | 91 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.2 | -179.1 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | P294 V296 V319 L328 E329 L391 G395 R396 | P294-V386 HydrophobicContact CG-CG1 4.33Å; V296-V386 HydrophobicContact CB-CG2 4.4Å; V296-V386 HydrophobicContact CG1-CG2 3.77Å; V296-V386 HydrophobicContact CG2-CB 3.84Å; V296-V386 HydrophobicContact CG2-CG1 4.29Å; V296-V386 HydrophobicContact CG2-CG2 3.66Å; V319-V386 HydrophobicContact CG1-CG1 4.11Å; V319-V386 HydrophobicContact CG2-CG1 4.39Å; V319-V386 HydrophobicContact CG2-CG2 3.76Å; L328-V386 HydrophobicContact CD1-CG1 3.46Å; L328-V386 VanDerWaalsContact CD1-CG1 3.46Å; E329-V386 WeakPolarHBondContact O-CA 3.27Å; V386-L391 HydrophobicContact CG1-CD1 4.37Å; V386-L391 WeakPolarHBondContact O-CD1 3.25Å; V386-G395 CarbonylContact O-C 3.55Å; V386-G395 WeakPolarHBondContact O-CA 3.31Å; V386-R396 PolarHBondContact N-O 2.85Å; V386-R396 PolarHBondContact O-N 3.11Å |
| 387 | R | 95.4 | Very high | 91.6 | Very high | 91 Ų | 91 | 48 Ų | 48 | 34% | 0.343 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.1 | 171.1 | -56.4 | 176.6 | 174.5 | -129.4 | -4.8 | 109 | E329 E331 | E329-R387 HydrophobicContact CB-CB 4.22Å; E329-R387 PolarHBondContact N-O 2.83Å; E329-R387 PolarHBondContact O-N 2.84Å; E329-R387 WeakPolarHBondContact OE2-CD 3.38Å; E331-R387 IonicContact OE1-NE 3.22Å; E331-R387 IonicContact OE2-CZ 3.05Å; E331-R387 IonicContact OE2-NE 3.97Å; E331-R387 PolarHBondContact OE2-NE 2.8Å; E331-R387 IonicContact OE2-NH2 2.77Å |
| 388 | H | 95.7 | Very high | 92.2 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | trans | -162 | 147.6 | -177.6 | -177.7 | -98.3 | 0 | 0 | 0 | 109.9 | P294 F322 Y323 P324 L328 S390 L391 | P294-H388 HydrophobicContact CG-CB 4.3Å; F322-H388 AromaticContact CD2-CD2 3.83Å; F322-H388 AromaticContact CD2-NE2 3.6Å; Y323-H388 PolarHBondContact O-CE1 2.76Å; P324-H388 PolarHBondContact O-NE2 3.12Å; L328-H388 HydrophobicContact CD1-CB 4.29Å; H388-S390 PolarHBondContact CE1-OG 2.89Å; H388-S390 PolarHBondContact ND1-N 3.24Å; H388-S390 VanDerWaalsContact ND1-N 3.19Å; H388-S390 PolarHBondContact ND1-OG 3.07Å; H388-S390 PolarHBondContact O-N 2.93Å; H388-L391 HydrophobicContact CB-CD1 4.08Å; H388-L391 HydrophobicContact CB-CG 4.17Å; H388-L391 WeakPolarHBondContact O-CB 3.47Å; H388-L391 PolarHBondContact O-N 2.78Å | ||
| 389 | P | 93.8 | Very high | 92.6 | Very high | 70 Ų | 70 | 48 Ų | 48 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.3 | -177.2 | -26.6 | 35.9 | 0 | 0 | 0 | 116.2 | R170 | R170-P389 PolarHBondContact NH2-O 3.35Š|
| 390 | S | 93.8 | Very high | 93 | Very high | 24 Ų | 24 | 46.3 Ų | 46.3 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 0.8 | 173.8 | 70.6 | 0 | 0 | 0 | 0 | 114.1 | K292 P293 H388 | K292-S390 PolarHBondContact O-OG 3.28Å; P293-S390 VanDerWaalsContact CA-OG 3.24Å; P293-S390 WeakPolarHBondContact CA-OG 3.3Å; H388-S390 PolarHBondContact CE1-OG 2.89Å; H388-S390 PolarHBondContact ND1-N 3.24Å; H388-S390 VanDerWaalsContact ND1-N 3.19Å; H388-S390 PolarHBondContact ND1-OG 3.07Å; H388-S390 PolarHBondContact O-N 2.93Å |
| 391 | L | 94.3 | Very high | 93.2 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -103.6 | 159.4 | 173.5 | -67.3 | 178.4 | 0 | 0 | 0 | 111.1 | P293 P294 V386 H388 R396 | P293-L391 HydrophobicContact CB-CD2 4.27Å; P294-L391 HydrophobicContact CG-CD1 3.68Å; P294-L391 HydrophobicContact CG-CD2 4.21Å; P294-L391 HydrophobicContact CG-CG 3.97Å; V386-L391 HydrophobicContact CG1-CD1 4.37Å; V386-L391 WeakPolarHBondContact O-CD1 3.25Å; H388-L391 HydrophobicContact CB-CD1 4.08Å; H388-L391 HydrophobicContact CB-CG 4.17Å; H388-L391 WeakPolarHBondContact O-CB 3.47Å; H388-L391 PolarHBondContact O-N 2.78Å; L391-R396 HydrophobicContact CD1-CB 3.79Å; L391-R396 HydrophobicContact CD2-CB 4.23Å |
| 392 | P | 92.1 | Very high | 93.1 | Very high | 90 Ų | 90 | 42.9 Ų | 42.9 | 58% | 0.584 | 24% | 0.244 | S | C | * | . | trans | -59.6 | 162.8 | 167.5 | -20.8 | 33.1 | 0 | 0 | 0 | 112.1 | S394 G395 | P392-S394 PolarHBondContact O-N 2.71Å; P392-S394 VanDerWaalsContact O-N 3.11Å; P392-G395 PolarHBondContact O-N 2.85Å | ||
| 393 | S | 89.3 | Confident | 92.9 | Very high | 120 Ų | 120 | 44.2 Ų | 44.2 | 84% | 0.839 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24.9 | 179.4 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | G395 | S393-G395 PolarHBondContact O-N 2.96Š|
| 394 | S | 87.6 | Confident | 92.5 | Very high | 87 Ų | 87 | 44.2 Ų | 44.2 | 61% | 0.608 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -12.5 | 173.4 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | P392 | P392-S394 PolarHBondContact O-N 2.71Å; P392-S394 VanDerWaalsContact O-N 3.11Å |
| 395 | G | 90.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | trans | 66.3 | -166.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113 | V386 P392 S393 | V386-G395 CarbonylContact O-C 3.55Å; V386-G395 WeakPolarHBondContact O-CA 3.31Å; P392-G395 PolarHBondContact O-N 2.85Å; S393-G395 PolarHBondContact O-N 2.96Å | ||
| 396 | R | 94.1 | Very high | 90.7 | Very high | 112 Ų | 112 | 47.4 Ų | 47.4 | 42% | 0.423 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.6 | 174.6 | 179.5 | 173 | -72.5 | -171.9 | -8.9 | 108.7 | P294 V296 V386 L391 | P294-R396 PolarHBondContact O-NH1 2.8Å; V296-R396 HydrophobicContact CB-CG 4.25Å; V296-R396 HydrophobicContact CG2-CB 4.22Å; V296-R396 HydrophobicContact CG2-CG 3.95Å; V386-R396 PolarHBondContact N-O 2.85Å; V386-R396 PolarHBondContact O-N 3.11Å; L391-R396 HydrophobicContact CD1-CB 3.79Å; L391-R396 HydrophobicContact CD2-CB 4.23Å |
| 397 | S | 92.5 | Very high | 89.1 | Confident | 53 Ų | 53 | 53.3 Ų | 53.3 | 37% | 0.371 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 145.2 | 178.9 | 61.5 | 0 | 0 | 0 | 0 | 113.2 | R335 C384 | R335-S397 PolarHBondContact NH1-OG 2.81Å; R335-S397 PolarHBondContact NH2-OG 3.39Å; C384-S397 CarbonylContact O-C 3.55Å; C384-S397 WeakPolarHBondContact O-CA 3.41Å |
| 398 | A | 93.3 | Very high | 87.2 | Confident | 18 Ų | 18 | 52.5 Ų | 52.5 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | V296 L298 A383 C384 | V296-A398 HydrophobicContact CG1-CB 3.92Å; L298-A398 HydrophobicContact CB-CB 3.93Å; L298-A398 HydrophobicContact CD1-CB 4.45Å; A383-A398 CarbonylContact C-O 3.58Å; A383-A398 WeakPolarHBondContact CA-O 3.37Å; C384-A398 PolarHBondContact N-O 2.87Å; C384-A398 PolarHBondContact O-N 3.14Å |
| 399 | E | 93.4 | Very high | 85.5 | Confident | 84 Ų | 84 | 54.5 Ų | 54.5 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 154.4 | -174.4 | 64.4 | -179 | -151.3 | 0 | 0 | 113.4 | R335 R381 Y382 A383 | R335-E399 IonicContact NH1-OE2 3.48Å; R381-E399 IonicContact NH1-OE1 3.42Å; R381-E399 PolarHBondContact NH1-OE1 2.81Å; R381-E399 IonicContact NH1-OE2 3.8Å; Y382-E399 CarbonylContact O-C 3.6Å; Y382-E399 WeakPolarHBondContact O-CA 3.23Å; A383-E399 HydrophobicContact CB-CB 4.15Å |
| 400 | V | 93.6 | Very high | 84 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.4 | 174.5 | 60.6 | 0 | 0 | 0 | 0 | 109.4 | L298 P300 P302 V304 L315 R381 Y382 | L298-V400 HydrophobicContact CD2-CB 3.61Å; L298-V400 HydrophobicContact CD2-CG1 3.4Å; L298-V400 VanDerWaalsContact CD2-CG1 3.4Å; L298-V400 HydrophobicContact CD2-CG2 4.48Å; P300-V400 WeakPolarHBondContact O-CG2 3.24Å; P302-V400 WeakPolarHBondContact O-CG2 3.32Å; V304-V400 HydrophobicContact CB-CG2 4.16Å; V304-V400 HydrophobicContact CG2-CG2 3.65Å; L315-V400 HydrophobicContact CD1-CG1 3.86Å; L315-V400 HydrophobicContact CD2-CG1 4.24Å; R381-V400 CarbonylContact C-O 3.46Å; R381-V400 VanDerWaalsContact CA-O 3.27Å; R381-V400 WeakPolarHBondContact CA-O 3.49Å; Y382-V400 PolarHBondContact N-O 3.09Å; Y382-V400 PolarHBondContact O-N 2.9Å |
| 401 | T | 92.1 | Very high | 82.9 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 22% | 0.221 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 131.5 | 177.1 | -50 | 0 | 0 | 0 | 0 | 110.1 | P302 I303 V304 R381 | P302-T401 PolarHBondContact O-N 3.19Å; I303-T401 WeakPolarHBondContact CA-O 3.26Å; V304-T401 PolarHBondContact N-O 3.01Å; R381-T401 HydrophobicContact CG-CG2 4.4Å |
| 402 | L | 89.8 | Confident | 81.9 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.4 | 173.1 | 175.3 | 68.4 | 0 | 0 | 0 | 109.8 | V304 P312 V373 Q377 G379 V380 Y382 | V304-L402 HydrophobicContact CG1-CD1 4.34Å; V304-L402 WeakPolarHBondContact O-CA 3.3Å; P312-L402 HydrophobicContact CB-CD1 4.33Å; P312-L402 HydrophobicContact CG-CD1 3.84Å; V373-L402 HydrophobicContact CB-CD2 4.3Å; V373-L402 HydrophobicContact CG1-CD1 4.37Å; V373-L402 HydrophobicContact CG1-CD2 3.55Å; Q377-L402 HydrophobicContact CB-CD2 4Å; G379-L402 PolarHBondContact N-O 3Å; V380-L402 PolarHBondContact O-N 3.3Å; Y382-L402 HydrophobicContact CD2-CB 4.22Å; Y382-L402 HydrophobicContact CE2-CB 4Å; Y382-L402 HydrophobicContact CE2-CD2 3.88Å |
| 403 | E | 88.9 | Confident | 81.2 | Confident | 36 Ų | 36 | 66.1 Ų | 66.1 | 17% | 0.168 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 115 | 176.2 | -66.6 | -66.4 | 157.4 | 0 | 0 | 109.8 | I303 V304 W305 A306 H378 | I303-E403 HydrophobicContact CG2-CB 4.08Å; I303-E403 HydrophobicContact CG2-CG 3.5Å; V304-E403 PolarHBondContact O-N 2.86Å; W305-E403 WeakPolarHBondContact CA-O 3.46Å; W305-E403 HydrophobicContact CD2-CB 3.7Å; W305-E403 HydrophobicContact CE3-CB 3.29Å; W305-E403 HydrophobicContact CE3-CG 4.34Å; W305-E403 HydrophobicContact CH2-CB 3.68Å; W305-E403 HydrophobicContact CH2-CG 3.87Å; W305-E403 HydrophobicContact CZ2-CB 4.06Å; W305-E403 HydrophobicContact CZ2-CG 4.1Å; W305-E403 HydrophobicContact CZ3-CB 3.29Å; W305-E403 HydrophobicContact CZ3-CG 4.02Å; A306-E403 PolarHBondContact N-O 2.78Å; H378-E403 IonicContact CE1-OE2 2.79Å; H378-E403 PolarHBondContact CE1-OE2 2.75Å; H378-E403 IonicContact ND1-OE2 3.36Å; H378-E403 PolarHBondContact ND1-OE2 2.95Å; H378-E403 IonicContact NE2-OE2 3.54Å |
| 404 | V | 85.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 127.1 | 177.1 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | A306 P308 V373 H378 | A306-V404 WeakPolarHBondContact O-CA 3.31Å; P308-V404 HydrophobicContact CG-CG1 3.75Å; V373-V404 HydrophobicContact CB-CG2 4.49Å; V373-V404 HydrophobicContact CG2-CG2 4.21Å; H378-V404 HydrophobicContact CB-CB 4.09Å; H378-V404 HydrophobicContact CB-CG2 4.06Å; H378-V404 PolarHBondContact ND1-N 2.79Å; H378-V404 PolarHBondContact ND1-O 2.77Å |
| 405 | A | 80 | Confident | 80.4 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 142.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A306 | A306-A405 PolarHBondContact O-N 2.9Š|
| 406 | G | 71.8 | Confident | 80.1 | Confident | 82 Ų | 82 | 66.3 Ų | 66.3 | 85% | 0.845 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -4.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 407 | F | 62.7 | Low | 79.8 | Confident | 124 Ų | 124 | 62.7 Ų | 62.7 | 54% | 0.544 | 40% | 0.398 | S | S | . | . | trans | -102.1 | -15.4 | 174.9 | -111.3 | -97.5 | 0 | 0 | 0 | 114.6 | D375 G409 | D375-F407 HydrophobicContact CB-CD2 4.41Å; D375-F407 HydrophobicContact CB-CE2 3.83Å; F407-G409 PolarHBondContact O-N 2.86Å | ||
| 408 | S | 55.8 | Low | 79.7 | Confident | 74 Ų | 74 | 66 Ų | 66 | 52% | 0.517 | 41% | 0.41 | S | S | . | . | trans | -71.1 | 98.3 | 167.9 | -48.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 409 | G | 60.8 | Low | 79.5 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 55% | 0.546 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 162.1 | 166 | 0 | 0 | 0 | 0 | 0 | 110.7 | F407 S411 | F407-G409 PolarHBondContact O-N 2.86Å; G409-S411 PolarHBondContact O-N 2.86Å; G409-S411 VanDerWaalsContact O-N 3.17Å |
| 410 | P | 62.4 | Low | 79.5 | Confident | 109 Ų | 109 | 72 Ų | 72 | 71% | 0.708 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 127.7 | -179.9 | 21.1 | -31.5 | 0 | 0 | 0 | 109.8 | D414 | P410-D414 HydrophobicContact CB-CB 4.1Š|
| 411 | S | 70.1 | Confident | 79.4 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 34% | 0.343 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 155.7 | 176.1 | 175.3 | 0 | 0 | 0 | 0 | 109.4 | G409 E413 D414 G415 | G409-S411 PolarHBondContact O-N 2.86Å; G409-S411 VanDerWaalsContact O-N 3.17Å; S411-E413 PolarHBondContact O-N 2.82Å; S411-E413 VanDerWaalsContact O-N 3.15Å; S411-E413 PolarHBondContact OG-N 3.42Å; S411-D414 WeakPolarHBondContact CB-OD2 3.35Å; S411-D414 PolarHBondContact N-OD2 2.85Å; S411-D414 WeakPolarHBondContact O-CA 3.44Å; S411-D414 WeakPolarHBondContact O-CB 3.46Å; S411-D414 PolarHBondContact O-N 2.85Å; S411-G415 PolarHBondContact O-N 3.04Å |
| 412 | I | 73.7 | Confident | 79.5 | Confident | 142 Ų | 142 | 74.8 Ų | 74.8 | 73% | 0.728 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -53.9 | -33.7 | 168.8 | -71.5 | 170.6 | 0 | 0 | 0 | 109.9 | G415 I416 | I412-G415 PolarHBondContact O-N 3.28Å; I412-I416 HydrophobicContact CG2-CD1 3.78Å; I412-I416 HydrophobicContact CG2-CG1 4.37Å; I412-I416 WeakPolarHBondContact O-CB 3.4Å; I412-I416 WeakPolarHBondContact O-CD1 3.36Å; I412-I416 WeakPolarHBondContact O-CG1 3.31Å; I412-I416 PolarHBondContact O-N 2.85Å |
| 413 | E | 77.8 | Confident | 79.6 | Confident | 149 Ų | 149 | 80.6 Ų | 80.6 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.4 | -40.2 | 175 | -66 | 169.3 | 164.3 | 0 | 0 | 112.3 | S411 G415 I416 G417 | S411-E413 PolarHBondContact O-N 2.82Å; S411-E413 VanDerWaalsContact O-N 3.15Å; S411-E413 PolarHBondContact OG-N 3.42Å; E413-G415 VanDerWaalsContact C-N 3.32Å; E413-I416 PolarHBondContact O-N 2.82Å; E413-G417 PolarHBondContact O-N 3.29Å |
| 414 | D | 78.1 | Confident | 79.8 | Confident | 93 Ų | 93 | 84.7 Ų | 84.7 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 173.5 | -63 | -36.6 | 0 | 0 | 0 | 110.8 | P410 S411 G417 L418 | P410-D414 HydrophobicContact CB-CB 4.1Å; S411-D414 WeakPolarHBondContact CB-OD2 3.35Å; S411-D414 PolarHBondContact N-OD2 2.85Å; S411-D414 WeakPolarHBondContact O-CA 3.44Å; S411-D414 WeakPolarHBondContact O-CB 3.46Å; S411-D414 PolarHBondContact O-N 2.85Å; D414-G417 PolarHBondContact O-N 2.86Å; D414-L418 WeakPolarHBondContact O-CB 3.32Å; D414-L418 PolarHBondContact O-N 3.48Å |
| 415 | G | 80.3 | Confident | 80.1 | Confident | 38 Ų | 38 | 89.3 Ų | 89.3 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S411 I412 E413 L418 F419 | S411-G415 PolarHBondContact O-N 3.04Å; I412-G415 PolarHBondContact O-N 3.28Å; E413-G415 VanDerWaalsContact C-N 3.32Å; G415-L418 PolarHBondContact O-N 3.16Å; G415-F419 VanDerWaalsContact O-CB 3.31Å; G415-F419 WeakPolarHBondContact O-CB 3.43Å; G415-F419 PolarHBondContact O-N 3.24Å |
| 416 | I | 85.8 | Confident | 80.7 | Confident | 93 Ų | 93 | 92.5 Ų | 92.5 | 48% | 0.477 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 174.1 | -68.8 | 162.9 | 0 | 0 | 0 | 110.1 | I412 E413 F419 L420 | I412-I416 HydrophobicContact CG2-CD1 3.78Å; I412-I416 HydrophobicContact CG2-CG1 4.37Å; I412-I416 WeakPolarHBondContact O-CB 3.4Å; I412-I416 WeakPolarHBondContact O-CD1 3.36Å; I412-I416 WeakPolarHBondContact O-CG1 3.31Å; I412-I416 PolarHBondContact O-N 2.85Å; E413-I416 PolarHBondContact O-N 2.82Å; I416-F419 PolarHBondContact O-N 2.83Å; I416-L420 HydrophobicContact CG2-CD1 3.77Å; I416-L420 HydrophobicContact CG2-CG 4.21Å; I416-L420 WeakPolarHBondContact O-CB 3.14Å; I416-L420 VanDerWaalsContact O-CG 3.26Å; I416-L420 WeakPolarHBondContact O-CG 3.27Å; I416-L420 PolarHBondContact O-N 3.44Å |
| 417 | G | 87.5 | Confident | 81.5 | Confident | 36 Ų | 36 | 90.6 Ų | 90.6 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E413 D414 F419 L420 S421 | E413-G417 PolarHBondContact O-N 3.29Å; D414-G417 PolarHBondContact O-N 2.86Å; G417-F419 VanDerWaalsContact C-N 3.34Å; G417-L420 PolarHBondContact O-N 3.49Å; G417-S421 WeakPolarHBondContact O-CB 3.38Å; G417-S421 PolarHBondContact O-N 3.3Å; G417-S421 PolarHBondContact O-OG 3.48Å |
| 418 | L | 90.6 | Very high | 82.9 | Confident | 122 Ų | 122 | 89.6 Ų | 89.6 | 64% | 0.639 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.8 | -40 | 173.6 | -104.7 | 155.3 | 0 | 0 | 0 | 111.9 | D414 G415 S421 A422 | D414-L418 WeakPolarHBondContact O-CB 3.32Å; D414-L418 PolarHBondContact O-N 3.48Å; G415-L418 PolarHBondContact O-N 3.16Å; L418-S421 WeakPolarHBondContact CA-OG 3.32Å; L418-S421 PolarHBondContact O-OG 3.31Å; L418-A422 VanDerWaalsContact O-CB 3.29Å; L418-A422 WeakPolarHBondContact O-CB 3.39Å; L418-A422 PolarHBondContact O-N 2.75Å |
| 419 | F | 89.8 | Confident | 84.5 | Confident | 127 Ų | 127 | 92.9 Ų | 92.9 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.3 | -49.1 | 176.9 | -169.8 | -96.2 | 0 | 0 | 0 | 111.4 | G415 I416 G417 S421 A422 F423 | G415-F419 VanDerWaalsContact O-CB 3.31Å; G415-F419 WeakPolarHBondContact O-CB 3.43Å; G415-F419 PolarHBondContact O-N 3.24Å; I416-F419 PolarHBondContact O-N 2.83Å; G417-F419 VanDerWaalsContact C-N 3.34Å; F419-S421 PolarHBondContact O-N 2.89Å; F419-A422 PolarHBondContact O-N 3.31Å; F419-F423 AromaticContact CD1-CD2 3.82Å; F419-F423 HydrophobicContact CD1-CD2 3.82Å; F419-F423 AromaticContact CD1-CE2 3.9Å; F419-F423 HydrophobicContact CD1-CE2 3.9Å; F419-F423 HydrophobicContact CD2-CD2 4.42Å; F419-F423 HydrophobicContact CD2-CE2 4.07Å; F419-F423 AromaticContact CE1-CD2 3.62Å; F419-F423 HydrophobicContact CE1-CD2 3.62Å; F419-F423 AromaticContact CE1-CE2 3.28Å; F419-F423 HydrophobicContact CE1-CE2 3.28Å; F419-F423 AromaticContact CE1-CZ 3.93Å; F419-F423 HydrophobicContact CE1-CZ 3.93Å; F419-F423 HydrophobicContact CE2-CD2 4.25Å; F419-F423 AromaticContact CE2-CE2 3.49Å; F419-F423 HydrophobicContact CE2-CE2 3.49Å; F419-F423 VanDerWaalsContact CE2-CE2 3.49Å; F419-F423 HydrophobicContact CE2-CZ 4.34Å; F419-F423 HydrophobicContact CG-CD2 4.24Å; F419-F423 HydrophobicContact CG-CE2 4.28Å; F419-F423 AromaticContact CZ-CD2 3.87Å; F419-F423 HydrophobicContact CZ-CD2 3.87Å; F419-F423 AromaticContact CZ-CE2 3.07Å; F419-F423 HydrophobicContact CZ-CE2 3.07Å; F419-F423 AromaticContact CZ-CZ 3.63Å; F419-F423 HydrophobicContact CZ-CZ 3.63Å; F419-F423 VanDerWaalsContact O-CD2 3.32Å; F419-F423 WeakPolarHBondContact O-CD2 3.37Å; F419-F423 PolarHBondContact O-N 3.18Å |
| 420 | L | 92.2 | Very high | 85.7 | Confident | 102 Ų | 102 | 97.7 Ų | 97.7 | 53% | 0.534 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 179.6 | -70.5 | 174.2 | 0 | 0 | 0 | 112.3 | I416 G417 F423 L424 | I416-L420 HydrophobicContact CG2-CD1 3.77Å; I416-L420 HydrophobicContact CG2-CG 4.21Å; I416-L420 WeakPolarHBondContact O-CB 3.14Å; I416-L420 VanDerWaalsContact O-CG 3.26Å; I416-L420 WeakPolarHBondContact O-CG 3.27Å; I416-L420 PolarHBondContact O-N 3.44Å; G417-L420 PolarHBondContact O-N 3.49Å; L420-F423 PolarHBondContact O-N 2.97Å; L420-L424 PolarHBondContact O-N 3.06Å |
| 421 | S | 91.7 | Very high | 86.8 | Confident | 52 Ų | 52 | 95 Ų | 95 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 176 | 54.5 | 0 | 0 | 0 | 0 | 112.1 | G417 L418 F419 L424 L425 | G417-S421 WeakPolarHBondContact O-CB 3.38Å; G417-S421 PolarHBondContact O-N 3.3Å; G417-S421 PolarHBondContact O-OG 3.48Å; L418-S421 WeakPolarHBondContact CA-OG 3.32Å; L418-S421 PolarHBondContact O-OG 3.31Å; F419-S421 PolarHBondContact O-N 2.89Å; S421-L424 PolarHBondContact O-N 2.94Å; S421-L425 WeakPolarHBondContact O-CB 3.39Å; S421-L425 WeakPolarHBondContact O-CG 3.48Å; S421-L425 PolarHBondContact O-N 3.34Å |
| 422 | A | 93.8 | Very high | 87.5 | Confident | 44 Ų | 44 | 97.7 Ų | 97.7 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L418 F419 L425 L426 | L418-A422 VanDerWaalsContact O-CB 3.29Å; L418-A422 WeakPolarHBondContact O-CB 3.39Å; L418-A422 PolarHBondContact O-N 2.75Å; F419-A422 PolarHBondContact O-N 3.31Å; A422-L425 PolarHBondContact O-N 2.79Å; A422-L426 WeakPolarHBondContact O-CB 3.5Å; A422-L426 PolarHBondContact O-N 3.09Å |
| 423 | F | 92.8 | Very high | 87.8 | Confident | 124 Ų | 124 | 92.8 Ų | 92.8 | 54% | 0.544 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 176.4 | -93.1 | -98.6 | 0 | 0 | 0 | 112.7 | F419 L420 L426 G427 | F419-F423 AromaticContact CD1-CD2 3.82Å; F419-F423 HydrophobicContact CD1-CD2 3.82Å; F419-F423 AromaticContact CD1-CE2 3.9Å; F419-F423 HydrophobicContact CD1-CE2 3.9Å; F419-F423 HydrophobicContact CD2-CD2 4.42Å; F419-F423 HydrophobicContact CD2-CE2 4.07Å; F419-F423 AromaticContact CE1-CD2 3.62Å; F419-F423 HydrophobicContact CE1-CD2 3.62Å; F419-F423 AromaticContact CE1-CE2 3.28Å; F419-F423 HydrophobicContact CE1-CE2 3.28Å; F419-F423 AromaticContact CE1-CZ 3.93Å; F419-F423 HydrophobicContact CE1-CZ 3.93Å; F419-F423 HydrophobicContact CE2-CD2 4.25Å; F419-F423 AromaticContact CE2-CE2 3.49Å; F419-F423 HydrophobicContact CE2-CE2 3.49Å; F419-F423 VanDerWaalsContact CE2-CE2 3.49Å; F419-F423 HydrophobicContact CE2-CZ 4.34Å; F419-F423 HydrophobicContact CG-CD2 4.24Å; F419-F423 HydrophobicContact CG-CE2 4.28Å; F419-F423 AromaticContact CZ-CD2 3.87Å; F419-F423 HydrophobicContact CZ-CD2 3.87Å; F419-F423 AromaticContact CZ-CE2 3.07Å; F419-F423 HydrophobicContact CZ-CE2 3.07Å; F419-F423 AromaticContact CZ-CZ 3.63Å; F419-F423 HydrophobicContact CZ-CZ 3.63Å; F419-F423 VanDerWaalsContact O-CD2 3.32Å; F419-F423 WeakPolarHBondContact O-CD2 3.37Å; F419-F423 PolarHBondContact O-N 3.18Å; L420-F423 PolarHBondContact O-N 2.97Å; F423-L426 PolarHBondContact O-N 3.44Å; F423-G427 PolarHBondContact O-N 3.39Å |
| 424 | L | 92.6 | Very high | 87.8 | Confident | 121 Ų | 121 | 95 Ų | 95 | 63% | 0.634 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.9 | -45.9 | 174.9 | -88.4 | 166.9 | 0 | 0 | 0 | 111.7 | L420 S421 G427 L428 | L420-L424 PolarHBondContact O-N 3.06Å; S421-L424 PolarHBondContact O-N 2.94Å; L424-G427 PolarHBondContact O-N 3Å; L424-L428 WeakPolarHBondContact O-CB 3.36Å; L424-L428 PolarHBondContact O-N 3.2Å |
| 425 | L | 92.8 | Very high | 87.7 | Confident | 98 Ų | 98 | 96.2 Ų | 96.2 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 177.2 | -76.6 | 167.9 | 0 | 0 | 0 | 111.5 | S421 A422 G427 L428 F429 | S421-L425 WeakPolarHBondContact O-CB 3.39Å; S421-L425 WeakPolarHBondContact O-CG 3.48Å; S421-L425 PolarHBondContact O-N 3.34Å; A422-L425 PolarHBondContact O-N 2.79Å; L425-G427 VanDerWaalsContact C-N 3.32Å; L425-G427 PolarHBondContact O-N 3Å; L425-L428 WeakPolarHBondContact O-CB 3.28Å; L425-L428 PolarHBondContact O-N 2.91Å; L425-F429 HydrophobicContact CB-CD2 4.43Å; L425-F429 HydrophobicContact CB-CE2 4.33Å; L425-F429 HydrophobicContact CD2-CE2 4.49Å; L425-F429 WeakPolarHBondContact O-CD2 3.32Å; L425-F429 PolarHBondContact O-N 3.1Å |
| 426 | L | 91.3 | Very high | 87.4 | Confident | 110 Ų | 110 | 97 Ų | 97 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.6 | -41.6 | 175 | -92.3 | 152.2 | 0 | 0 | 0 | 112.3 | A422 F423 F429 K430 | A422-L426 WeakPolarHBondContact O-CB 3.5Å; A422-L426 PolarHBondContact O-N 3.09Å; F423-L426 PolarHBondContact O-N 3.44Å; L426-F429 PolarHBondContact O-N 2.79Å; L426-K430 PolarHBondContact O-N 2.98Å |
| 427 | G | 89.4 | Confident | 86.6 | Confident | 43 Ų | 43 | 94.7 Ų | 94.7 | 44% | 0.443 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | F423 L424 L425 K430 A431 | F423-G427 PolarHBondContact O-N 3.39Å; L424-G427 PolarHBondContact O-N 3Å; L425-G427 VanDerWaalsContact C-N 3.32Å; L425-G427 PolarHBondContact O-N 3Å; G427-K430 PolarHBondContact O-N 2.76Å; G427-A431 WeakPolarHBondContact O-CB 3.35Å; G427-A431 PolarHBondContact O-N 2.85Å |
| 428 | L | 90.8 | Very high | 85.6 | Confident | 103 Ų | 103 | 101.3 Ų | 101.3 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 176.4 | -112 | 134.7 | 0 | 0 | 0 | 112.2 | L424 L425 K430 A431 L432 | L424-L428 WeakPolarHBondContact O-CB 3.36Å; L424-L428 PolarHBondContact O-N 3.2Å; L425-L428 WeakPolarHBondContact O-CB 3.28Å; L425-L428 PolarHBondContact O-N 2.91Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 3.02Å; L428-A431 PolarHBondContact O-N 3.3Å; L428-L432 HydrophobicContact CD2-CD1 4.18Å; L428-L432 WeakPolarHBondContact O-CB 3.16Å; L428-L432 WeakPolarHBondContact O-CD1 3.47Å; L428-L432 WeakPolarHBondContact O-CG 3.37Å; L428-L432 PolarHBondContact O-N 3.22Å |
| 429 | F | 90 | Very high | 84.2 | Confident | 142 Ų | 142 | 102.4 Ų | 102.4 | 62% | 0.623 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.3 | -39.6 | 176.9 | -78.6 | -62.2 | 0 | 0 | 0 | 112 | L425 L426 G433 | L425-F429 HydrophobicContact CB-CD2 4.43Å; L425-F429 HydrophobicContact CB-CE2 4.33Å; L425-F429 HydrophobicContact CD2-CE2 4.49Å; L425-F429 WeakPolarHBondContact O-CD2 3.32Å; L425-F429 PolarHBondContact O-N 3.1Å; L426-F429 PolarHBondContact O-N 2.79Å; F429-G433 PolarHBondContact O-N 2.77Å |
| 430 | K | 87 | Confident | 82.8 | Confident | 154 Ų | 154 | 101.6 Ų | 101.6 | 67% | 0.67 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.5 | -41.6 | 174.3 | -83.9 | -146.3 | 173.6 | -177.4 | 0 | 112.9 | L426 G427 L428 G433 W434 | L426-K430 PolarHBondContact O-N 2.98Å; G427-K430 PolarHBondContact O-N 2.76Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 3.02Å; K430-G433 PolarHBondContact O-N 3.05Å; K430-W434 PolarHBondContact O-N 2.98Å |
| 431 | A | 84.4 | Confident | 81 | Confident | 52 Ų | 52 | 102.4 Ų | 102.4 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G427 L428 G433 W434 M435 | G427-A431 WeakPolarHBondContact O-CB 3.35Å; G427-A431 PolarHBondContact O-N 2.85Å; L428-A431 PolarHBondContact O-N 3.3Å; A431-G433 VanDerWaalsContact C-N 3.33Å; A431-G433 PolarHBondContact O-N 3.07Å; A431-W434 PolarHBondContact O-N 3.1Å; A431-M435 WeakPolarHBondContact O-CB 3.24Å; A431-M435 VanDerWaalsContact O-CG 3.27Å; A431-M435 WeakPolarHBondContact O-CG 3.43Å; A431-M435 PolarHBondContact O-N 3.12Å |
| 432 | L | 84.3 | Confident | 79.1 | Confident | 106 Ų | 106 | 105 Ų | 105 | 56% | 0.555 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.3 | -40.7 | 174 | -76.1 | 160.7 | 0 | 0 | 0 | 111.7 | L428 M435 A436 | L428-L432 HydrophobicContact CD2-CD1 4.18Å; L428-L432 WeakPolarHBondContact O-CB 3.16Å; L428-L432 WeakPolarHBondContact O-CD1 3.47Å; L428-L432 WeakPolarHBondContact O-CG 3.37Å; L428-L432 PolarHBondContact O-N 3.22Å; L432-M435 PolarHBondContact O-N 3.16Å; L432-A436 WeakPolarHBondContact O-CB 3.34Å; L432-A436 PolarHBondContact O-N 3.1Å |
| 433 | G | 80.8 | Confident | 77 | Confident | 40 Ų | 40 | 112.9 Ų | 112.9 | 41% | 0.412 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.7 | -41.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F429 K430 A431 A436 A437 | F429-G433 PolarHBondContact O-N 2.77Å; K430-G433 PolarHBondContact O-N 3.05Å; A431-G433 VanDerWaalsContact C-N 3.33Å; A431-G433 PolarHBondContact O-N 3.07Å; G433-A436 PolarHBondContact O-N 3.23Å; G433-A437 WeakPolarHBondContact O-CB 3.4Å; G433-A437 PolarHBondContact O-N 3.16Å |
| 434 | W | 78.3 | Confident | 74.9 | Confident | 194 Ų | 194 | 114.4 Ų | 114.4 | 74% | 0.735 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.4 | -39.9 | 173.3 | -91.1 | -7.9 | 0 | 0 | 0 | 112.6 | K430 A431 A436 A437 Y438 | K430-W434 PolarHBondContact O-N 2.98Å; A431-W434 PolarHBondContact O-N 3.1Å; W434-A436 VanDerWaalsContact C-N 3.35Å; W434-A437 PolarHBondContact O-N 3.02Å; W434-Y438 WeakPolarHBondContact O-CB 3.37Å; W434-Y438 WeakPolarHBondContact O-CD2 3.48Å; W434-Y438 PolarHBondContact O-N 3.3Å |
| 435 | M | 76 | Confident | 72.4 | Confident | 120 Ų | 120 | 116.9 Ų | 116.9 | 59% | 0.591 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.4 | -41.5 | 174.8 | -72.5 | -62.6 | -67.1 | 0 | 0 | 111.4 | A431 L432 Y438 L439 | A431-M435 WeakPolarHBondContact O-CB 3.24Å; A431-M435 VanDerWaalsContact O-CG 3.27Å; A431-M435 WeakPolarHBondContact O-CG 3.43Å; A431-M435 PolarHBondContact O-N 3.12Å; L432-M435 PolarHBondContact O-N 3.16Å; M435-Y438 PolarHBondContact O-N 3.5Å; M435-L439 WeakPolarHBondContact O-CB 3.31Å; M435-L439 WeakPolarHBondContact O-CD1 3.34Å; M435-L439 WeakPolarHBondContact O-CG 3.43Å; M435-L439 PolarHBondContact O-N 3.48Å |
| 436 | A | 73 | Confident | 69.7 | Low | 53 Ų | 53 | 121 Ų | 121 | 44% | 0.438 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.6 | -38.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L432 G433 W434 L439 T440 | L432-A436 WeakPolarHBondContact O-CB 3.34Å; L432-A436 PolarHBondContact O-N 3.1Å; G433-A436 PolarHBondContact O-N 3.23Å; W434-A436 VanDerWaalsContact C-N 3.35Å; A436-L439 PolarHBondContact O-N 3.48Å; A436-T440 PolarHBondContact O-N 3.45Å; A436-T440 PolarHBondContact O-OG1 2.92Å |
| 437 | A | 69.9 | Low | 67.4 | Low | 45 Ų | 45 | 123.4 Ų | 123.4 | 37% | 0.372 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.7 | -42.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | G433 W434 L439 T440 I441 | G433-A437 WeakPolarHBondContact O-CB 3.4Å; G433-A437 PolarHBondContact O-N 3.16Å; W434-A437 PolarHBondContact O-N 3.02Å; A437-L439 VanDerWaalsContact C-N 3.3Å; A437-L439 PolarHBondContact O-N 3.3Å; A437-T440 WeakPolarHBondContact CA-OG1 3.47Å; A437-T440 PolarHBondContact O-N 3.2Å; A437-T440 VanDerWaalsContact O-N 3.1Å; A437-T440 PolarHBondContact O-OG1 2.73Å; A437-I441 WeakPolarHBondContact O-CG1 2.98Å; A437-I441 PolarHBondContact O-N 3.25Å |
| 438 | Y | 65.3 | Low | 64.7 | Low | 176 Ų | 176 | 131.5 Ų | 131.5 | 69% | 0.69 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -63.5 | -35.8 | 175.3 | -100.8 | -81.1 | 0 | 0 | 0 | 112.6 | W434 M435 T440 | W434-Y438 WeakPolarHBondContact O-CB 3.37Å; W434-Y438 WeakPolarHBondContact O-CD2 3.48Å; W434-Y438 PolarHBondContact O-N 3.3Å; M435-Y438 PolarHBondContact O-N 3.5Å; Y438-T440 PolarHBondContact O-N 3.26Å |
| 439 | L | 61.9 | Low | 62.2 | Low | 145 Ų | 145 | 131.6 Ų | 131.6 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -72.4 | -14.7 | 175.2 | -79 | 159.2 | 0 | 0 | 0 | 113.5 | M435 A436 A437 | M435-L439 WeakPolarHBondContact O-CB 3.31Å; M435-L439 WeakPolarHBondContact O-CD1 3.34Å; M435-L439 WeakPolarHBondContact O-CG 3.43Å; M435-L439 PolarHBondContact O-N 3.48Å; A436-L439 PolarHBondContact O-N 3.48Å; A437-L439 VanDerWaalsContact C-N 3.3Å; A437-L439 PolarHBondContact O-N 3.3Å |
| 440 | T | 59.6 | Low | 59.5 | Low | 109 Ų | 109 | 130.6 Ų | 130.6 | 67% | 0.669 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -106.6 | -0.7 | -178.8 | 44 | 0 | 0 | 0 | 0 | 114.5 | A436 A437 Y438 P442 | A436-T440 PolarHBondContact O-N 3.45Å; A436-T440 PolarHBondContact O-OG1 2.92Å; A437-T440 WeakPolarHBondContact CA-OG1 3.47Å; A437-T440 PolarHBondContact O-N 3.2Å; A437-T440 VanDerWaalsContact O-N 3.1Å; A437-T440 PolarHBondContact O-OG1 2.73Å; Y438-T440 PolarHBondContact O-N 3.26Å; T440-P442 WeakPolarHBondContact O-CD 3.3Å |
| 441 | I | 55.8 | Low | 57 | Low | 119 Ų | 119 | 127.8 Ų | 127.8 | 61% | 0.61 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -73.9 | 117.2 | 170.6 | -64.2 | 168 | 0 | 0 | 0 | 109.4 | A437 | A437-I441 WeakPolarHBondContact O-CG1 2.98Å; A437-I441 PolarHBondContact O-N 3.25Å |
| 442 | P | 50.8 | Low | 54.6 | Low | 107 Ų | 107 | 131.1 Ų | 131.1 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | trans | -72.7 | 140.6 | 179.7 | -6.2 | 22 | 0 | 0 | 0 | 111.4 | T440 I444 | T440-P442 WeakPolarHBondContact O-CD 3.3Å; P442-I444 PolarHBondContact O-N 3.42Å | ||
| 443 | K | 49.8 | Very low | 52.1 | Low | 210 Ų | 210 | 130.4 Ų | 130.4 | 91% | 0.913 | 71% | 0.712 | S | S | * | * | trans | -49.2 | 98.9 | 167.4 | -75.3 | 173.1 | 172.2 | 170.9 | 0 | 112 | ||||
| 444 | I | 48.6 | Very low | 49.9 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 80% | 0.795 | 73% | 0.731 | S | S | * | * | trans | -139 | 88.1 | 154.5 | -59.5 | -177.6 | 0 | 0 | 0 | 108.9 | P442 | P442-I444 PolarHBondContact O-N 3.42Š| ||
| 445 | L | 40.4 | Very low | 47.6 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 91% | 0.911 | 73% | 0.734 | S | S | * | * | trans | -167.8 | 90 | 137.6 | -118.9 | 133.6 | 0 | 0 | 0 | 108.5 | ||||
| 446 | K | 37.3 | Very low | 45.8 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | -87.7 | 145 | 161.6 | -147.6 | -174.6 | -177 | -170.7 | 0 | 106.4 | ||||
| 447 | E | 41.1 | Very low | 44.7 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | 79.1 | 90 | 142.7 | -154.9 | 168 | 175.9 | 0 | 0 | 118.4 | ||||
| 448 | K | 34.3 | Very low | 43 | Very low | 212 Ų | 212 | 142.3 Ų | 142.3 | 92% | 0.922 | 78% | 0.776 | S | S | * | * | trans | -176.9 | 91.3 | 132.8 | -106.8 | 177.6 | 179.7 | -179.5 | 0 | 111.1 | ||||
| 449 | A | 36.6 | Very low | 41.6 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -160 | 67.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 450 | S | 34.8 | Very low | 40.4 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -168.2 | 89.4 | 158.4 | 170.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 451 | A | 34.2 | Very low | 39.4 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | 164.3 | 131.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 452 | T | 34.3 | Very low | 38.6 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | cis | -167.2 | 143.9 | -5.5 | -40.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 453 | S | 32.3 | Very low | 38.2 | Very low | 90 Ų | 90 | 145 Ų | 145 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | 38.9 | 127 | 143.8 | 68 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 454 | L | 33 | Very low | 38 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | 73.6 | 140.2 | 125.5 | -86.9 | 139.9 | 0 | 0 | 0 | 122.6 | |||||
| 455 | T | 31.2 | Very low | 37.4 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 89.1 | 100.3 | 155.9 | 44.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 456 | V | 37.8 | Very low | 37.3 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -67.6 | 154.4 | 146.9 | 173.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 457 | P | 49.6 | Very low | 37.3 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | cis | -144.9 | 173.5 | 39.1 | 28 | -2.1 | 0 | 0 | 0 | 118.2 | ||||
| 458 | K | 34.1 | Very low | 37.1 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | 129 | 121.3 | 111.5 | -128.6 | -175 | 176 | 176.5 | 0 | 115 | |||||
| 459 | D | 36.3 | Very low | 37.2 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | 50.4 | 136.6 | 139 | -66.2 | -17.3 | 0 | 0 | 0 | 118.8 | ||||
| 460 | E | 37 | Very low | 37.3 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | cis | -169.5 | 141.8 | 45.1 | -136.5 | -179.6 | 157.9 | 0 | 0 | 110.4 | ||||
| 461 | K | 38.8 | Very low | 37.4 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | 54.1 | 148.7 | 132.2 | -86.1 | -178.9 | -163.2 | 152.2 | 0 | 121.7 | ||||
| 462 | K | 38.7 | Very low | 37.7 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | cis | -176 | 161.3 | -2.6 | -155.8 | 177.9 | 176.3 | -176.1 | 0 | 108 | ||||
| 463 | S | 42.1 | Very low | 38 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 66 | 135.9 | 151 | 55.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 464 | E | 44.9 | Very low | 38.5 | Very low | 263 Ų | 263 | 152.5 Ų | 152.5 | 100% | 1.229 | 79% | 0.788 | S | S | * | * | cis | -147.3 | 0 | 13.7 | -144.3 | 171 | -178.8 | 0 | 0 | 111 |
Retrieved 464 of 464 residues in 279.7 ms
(Link to these results)