| 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 | 45.9 | Very low | 43.8 | Very low | 237 Ų | 237 | 125.9 Ų | 125.9 | 100% | 1.167 | 70% | 0.698 | S | S | * | * | 0 | 64.3 | 0 | -65.2 | 163.7 | 66.2 | 0 | 0 | 110.9 | |||||
| 2 | K | 48.2 | Very low | 43.3 | Very low | 195 Ų | 195 | 126.4 Ų | 126.4 | 85% | 0.848 | 70% | 0.698 | S | S | * | * | trans | -141.5 | 8 | -175.6 | -93.4 | -179.6 | 179.3 | 176.9 | 0 | 117 | ||||
| 3 | P | 44.3 | Very low | 42.8 | Very low | 98 Ų | 98 | 121.6 Ų | 121.6 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -95.7 | -15.7 | 171.1 | 36 | -30.9 | 0 | 0 | 0 | 113.4 | ||
| 4 | L | 44.2 | Very low | 42.5 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -78.5 | -28.2 | -173.2 | -141.5 | 84.1 | 0 | 0 | 0 | 113.6 | V8 | L4-V8 WeakPolarHBondContact O-CG2 3.37Å |
| 5 | L | 42.8 | Very low | 42.5 | Very low | 151 Ų | 151 | 120.2 Ų | 120.2 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -75.5 | -27.4 | -179.4 | -114.9 | 93.8 | 0 | 0 | 0 | 113.3 | A9 | L5-A9 PolarHBondContact O-N 3.26Å |
| 6 | L | 42.7 | Very low | 42.3 | Very low | 132 Ų | 132 | 120.1 Ų | 120.1 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -75.3 | -32.5 | 179.2 | -119.3 | 97.3 | 0 | 0 | 0 | 112.1 | A9 V10 | L6-A9 PolarHBondContact O-N 3.11Å; L6-V10 WeakPolarHBondContact O-CG2 3.37Å; L6-V10 PolarHBondContact O-N 2.94Å |
| 7 | L | 42.7 | Very low | 42 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 67% | 0.665 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -70 | -32.2 | 176.6 | -95.9 | 145.8 | 0 | 0 | 0 | 112.4 | A11 | L7-A11 WeakPolarHBondContact O-CB 3.32Å; L7-A11 PolarHBondContact O-N 3.45Å |
| 8 | V | 44.6 | Very low | 41.6 | Very low | 81 Ų | 81 | 120.6 Ų | 120.6 | 49% | 0.491 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -72 | -34.1 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | L4 A11 L12 | L4-V8 WeakPolarHBondContact O-CG2 3.37Å; V8-A11 PolarHBondContact O-N 3.22Å; V8-L12 HydrophobicContact CG1-CD1 3.5Å; V8-L12 VanDerWaalsContact CG1-CD1 3.5Å; V8-L12 WeakPolarHBondContact O-CB 3.48Å; V8-L12 WeakPolarHBondContact O-CD1 3.23Å; V8-L12 PolarHBondContact O-N 3.37Å |
| 9 | A | 42.4 | Very low | 41.3 | Very low | 68 Ų | 68 | 118.5 Ų | 118.5 | 56% | 0.562 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -69.8 | -34.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L5 L6 G13 | L5-A9 PolarHBondContact O-N 3.26Å; L6-A9 PolarHBondContact O-N 3.11Å; A9-G13 PolarHBondContact O-N 3.45Å; A9-G13 VanDerWaalsContact O-N 3.15Å |
| 10 | V | 43.7 | Very low | 41.2 | Very low | 91 Ų | 91 | 118.8 Ų | 118.8 | 55% | 0.552 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -75.2 | -34.4 | 175 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | L6 G13 L14 | L6-V10 WeakPolarHBondContact O-CG2 3.37Å; L6-V10 PolarHBondContact O-N 2.94Å; V10-G13 PolarHBondContact O-N 3.28Å; V10-L14 HydrophobicContact CG1-CD1 4.25Å |
| 11 | A | 40.2 | Very low | 41.5 | Very low | 68 Ų | 68 | 118.8 Ų | 118.8 | 56% | 0.562 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -72.3 | -32.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L7 V8 | L7-A11 WeakPolarHBondContact O-CB 3.32Å; L7-A11 PolarHBondContact O-N 3.45Å; V8-A11 PolarHBondContact O-N 3.22Å |
| 12 | L | 38.6 | Very low | 41.6 | Very low | 132 Ų | 132 | 109.3 Ų | 109.3 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -82.7 | -15.7 | 173.8 | -90.5 | 114.8 | 0 | 0 | 0 | 114.1 | V8 | V8-L12 HydrophobicContact CG1-CD1 3.5Å; V8-L12 VanDerWaalsContact CG1-CD1 3.5Å; V8-L12 WeakPolarHBondContact O-CB 3.48Å; V8-L12 WeakPolarHBondContact O-CD1 3.23Å; V8-L12 PolarHBondContact O-N 3.37Å |
| 13 | G | 36.4 | Very low | 42.4 | Very low | 64 Ų | 64 | 102.6 Ų | 102.6 | 66% | 0.66 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -84.1 | -7.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A9 V10 | A9-G13 PolarHBondContact O-N 3.45Å; A9-G13 VanDerWaalsContact O-N 3.15Å; V10-G13 PolarHBondContact O-N 3.28Å |
| 14 | L | 39 | Very low | 44.1 | Very low | 145 Ų | 145 | 98.6 Ų | 98.6 | 76% | 0.759 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -105.6 | 3.3 | -176.8 | -89.7 | 152.4 | 0 | 0 | 0 | 113.9 | V10 | V10-L14 HydrophobicContact CG1-CD1 4.25Š|
| 15 | A | 41.5 | Very low | 46.1 | Very low | 77 Ų | 77 | 93.5 Ų | 93.5 | 64% | 0.636 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -121.6 | 33.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 16 | T | 39.8 | Very low | 48.4 | Very low | 118 Ų | 118 | 91.5 Ų | 91.5 | 72% | 0.724 | 58% | 0.576 | S | S | * | * | trans | -153.1 | 54.9 | 159.1 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 17 | V | 37.4 | Very low | 50.7 | Low | 135 Ų | 135 | 86.6 Ų | 86.6 | 82% | 0.818 | 56% | 0.555 | S | S | * | * | trans | -95.5 | 74.8 | 137.1 | -171.1 | 0 | 0 | 0 | 0 | 104.1 | S19 | V17-S19 PolarHBondContact O-N 2.89Š| ||
| 18 | V | 35.4 | Very low | 53.2 | Low | 114 Ų | 114 | 80.9 Ų | 80.9 | 69% | 0.691 | 53% | 0.525 | S | S | * | . | trans | -58.8 | 95.4 | 147.8 | 176.4 | 0 | 0 | 0 | 0 | 101.9 | V20 | V18-V20 PolarHBondContact O-N 3.46Š| ||
| 19 | S | 34.9 | Very low | 55.6 | Low | 82 Ų | 82 | 81.6 Ų | 81.6 | 57% | 0.573 | 52% | 0.523 | S | S | * | . | trans | -44.4 | 105.6 | 155.1 | 41.1 | 0 | 0 | 0 | 0 | 103.2 | V17 V21 | V17-S19 PolarHBondContact O-N 2.89Å; S19-V21 PolarHBondContact O-N 2.82Å | ||
| 20 | V | 39.9 | Very low | 58.2 | Low | 124 Ų | 124 | 78.5 Ų | 78.5 | 75% | 0.752 | 50% | 0.497 | S | S | * | . | trans | -55.6 | 97.7 | 166.8 | 174.8 | 0 | 0 | 0 | 0 | 101.6 | V18 S22 | V18-V20 PolarHBondContact O-N 3.46Å; V20-S22 PolarHBondContact O-N 3.37Å | ||
| 21 | V | 47.6 | Very low | 60.7 | Low | 119 Ų | 119 | 80.9 Ų | 80.9 | 72% | 0.721 | 50% | 0.496 | S | S | * | . | trans | -54.7 | 103.7 | 167.6 | 172.3 | 0 | 0 | 0 | 0 | 100.5 | S19 A23 | S19-V21 PolarHBondContact O-N 2.82Å; V21-A23 PolarHBondContact O-N 3.49Å | ||
| 22 | S | 47.9 | Very low | 63.3 | Low | 37 Ų | 37 | 78.1 Ų | 78.1 | 26% | 0.259 | 47% | 0.472 | S | S | . | . | trans | -60.9 | 89.8 | -176.3 | 174.6 | 0 | 0 | 0 | 0 | 104.8 | V20 G24 Y85 A87 | V20-S22 PolarHBondContact O-N 3.37Å; S22-G24 VanDerWaalsContact C-N 3.32Å; S22-G24 PolarHBondContact O-N 2.83Å; S22-Y85 PolarHBondContact OG-O 2.92Å; S22-Y85 VanDerWaalsContact OG-O 3.08Å; S22-A87 PolarHBondContact OG-N 2.88Å | ||
| 23 | A | 65.4 | Low | 65.9 | Low | 55 Ų | 55 | 72.5 Ų | 72.5 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | trans | -72.3 | 103 | 177.5 | 0 | 0 | 0 | 0 | 0 | 102.1 | V21 R51 | V21-A23 PolarHBondContact O-N 3.49Å; A23-R51 VanDerWaalsContact CB-NH2 3.35Å; A23-R51 PolarHBondContact O-NH2 3.34Å | ||
| 24 | G | 78.2 | Confident | 68.4 | Low | 13 Ų | 13 | 71 Ų | 71 | 13% | 0.134 | 42% | 0.419 | C | S | . | . | trans | -60.7 | -146.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | S22 E26 R51 F82 Y85 | S22-G24 VanDerWaalsContact C-N 3.32Å; S22-G24 PolarHBondContact O-N 2.83Å; G24-E26 PolarHBondContact O-N 3.1Å; G24-R51 PolarHBondContact O-NH2 3.48Å; G24-F82 WeakPolarHBondContact CA-O 3.33Å; G24-Y85 WeakPolarHBondContact CA-O 3.45Å | ||
| 25 | P | 87.5 | Confident | 70.3 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 20% | 0.195 | 42% | 0.415 | C | S | . | . | trans | -62.1 | 145.6 | 176.5 | 23 | -30.3 | 0 | 0 | 0 | 111.9 | A27 I28 L50 R51 F82 | P25-A27 WeakPolarHBondContact CB-O 3.39Å; P25-I28 HydrophobicContact CG-CG1 4.47Å; P25-L50 HydrophobicContact CG-CD1 4.14Å; P25-R51 PolarHBondContact O-NE 2.94Å; P25-F82 HydrophobicContact CG-CB 4.25Å; P25-F82 HydrophobicContact CG-CD1 3.64Å; P25-F82 HydrophobicContact CG-CG 4.3Å | ||
| 26 | E | 89.9 | Confident | 71.7 | Confident | 109 Ų | 109 | 69.7 Ų | 69.7 | 51% | 0.509 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -82.4 | -35.2 | 169 | -68.8 | -168 | 162.7 | 0 | 0 | 111.6 | G24 L50 R51 | G24-E26 PolarHBondContact O-N 3.1Å; E26-L50 WeakPolarHBondContact O-CB 3.43Å; E26-L50 PolarHBondContact O-N 3.46Å; E26-R51 HydrophobicContact CB-CG 4.2Å; E26-R51 HydrophobicContact CG-CG 4.12Å; E26-R51 PolarHBondContact O-N 2.94Å; E26-R51 IonicContact OE1-NH1 3.68Å |
| 27 | A | 92.3 | Very high | 72.8 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 25% | 0.248 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 159.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P25 T47 L48 L49 | P25-A27 WeakPolarHBondContact CB-O 3.39Å; A27-T47 HydrophobicContact CB-CG2 3.84Å; A27-L48 CarbonylContact C-O 3.58Å; A27-L48 WeakPolarHBondContact CA-O 3.39Å; A27-L49 HydrophobicContact CB-CD1 4.24Å |
| 28 | I | 94.3 | Very high | 74.2 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130 | 176.2 | -53.4 | 161.8 | 0 | 0 | 0 | 108.4 | P25 T47 L48 L50 F82 P92 C94 | P25-I28 HydrophobicContact CG-CG1 4.47Å; I28-T47 WeakPolarHBondContact O-CA 3.31Å; I28-L48 HydrophobicContact CB-CB 4.49Å; I28-L48 PolarHBondContact N-O 2.99Å; I28-L48 PolarHBondContact O-N 3.31Å; I28-L50 HydrophobicContact CD1-CD1 3.83Å; I28-L50 HydrophobicContact CD1-CD2 3.92Å; I28-L50 HydrophobicContact CD1-CG 4.19Å; I28-L50 HydrophobicContact CG1-CD1 3.88Å; I28-L50 HydrophobicContact CG1-CD2 4.49Å; I28-L50 HydrophobicContact CG1-CG 4.29Å; I28-F82 HydrophobicContact CD1-CD1 3.75Å; I28-F82 HydrophobicContact CD1-CD2 3.93Å; I28-F82 HydrophobicContact CD1-CE1 3.2Å; I28-F82 HydrophobicContact CD1-CE2 3.43Å; I28-F82 VanDerWaalsContact CD1-CE2 3.43Å; I28-F82 HydrophobicContact CD1-CG 4.1Å; I28-F82 HydrophobicContact CD1-CZ 3.06Å; I28-F82 HydrophobicContact CG1-CD1 4.29Å; I28-F82 HydrophobicContact CG1-CE1 3.96Å; I28-F82 HydrophobicContact CG1-CZ 4.27Å; I28-P92 HydrophobicContact CG2-CG 4.39Å; I28-C94 HydrophobicContact CG2-CB 3.73Å |
| 29 | E | 95.3 | Very high | 75.9 | Confident | 96 Ų | 96 | 62.5 Ų | 62.5 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 128.8 | 169.8 | -56.1 | -54.9 | 141.1 | 0 | 0 | 109.9 | T47 R60 C94 | E29-T47 PolarHBondContact OE2-OG1 3.45Å; E29-R60 IonicContact OE1-CZ 3.47Å; E29-R60 IonicContact OE1-NH1 3.01Å; E29-R60 PolarHBondContact OE1-NH1 2.81Å; E29-R60 IonicContact OE1-NH2 2.98Å; E29-R60 PolarHBondContact OE1-NH2 2.85Å; E29-R60 IonicContact OE2-CZ 3.78Å; E29-R60 IonicContact OE2-NH1 3.38Å; E29-R60 IonicContact OE2-NH2 2.74Å; E29-R60 PolarHBondContact OE2-NH2 3.28Å; E29-C94 WeakPolarHBondContact O-CB 3.26Å |
| 30 | C | 96.4 | Very high | 77.8 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.02 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 154.5 | -175.7 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | A46 C94 M96 | C30-A46 HydrophobicContact CB-CB 4.38Å; C30-A46 PolarHBondContact N-O 3Å; C30-A46 PolarHBondContact O-N 3.48Å; C30-C94 WeakPolarHBondContact CA-O 3.36Å; C30-C94 HydrophobicContact CB-CB 3.73Å; C30-C94 WeakPolarHBondContact CB-SG 3.44Å; C30-C94 WeakPolarHBondContact SG-CB 3.41Å; C30-C94 CovalentContact SG-SG 2.03Å; C30-C94 PolarHBondContact SG-SG 3.47Å; C30-M96 HydrophobicContact CB-CG 3.74Å; C30-M96 HydrophobicContact CB-SD 3.61Å |
| 31 | W | 96.1 | Very high | 80 | Confident | 142 Ų | 142 | 60.4 Ų | 60.4 | 54% | 0.538 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116 | 169.6 | -67.4 | 101.4 | 0 | 0 | 0 | 109.6 | K43 C94 E95 M96 | W31-K43 HydrophobicContact CE3-CB 4.01Å; W31-C94 PolarHBondContact N-O 3.43Å; W31-E95 WeakPolarHBondContact O-CA 3.42Å; W31-M96 PolarHBondContact O-N 3.25Å |
| 32 | F | 95.3 | Very high | 81.9 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 4% | 0.039 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 120.1 | 169.5 | -175.5 | -111.9 | 0 | 0 | 0 | 109.8 | E34 K43 K44 A46 L67 M96 R98 L127 | F32-E34 HydrophobicContact CD1-CG 3.91Å; F32-E34 HydrophobicContact CE1-CG 3.34Å; F32-E34 WeakPolarHBondContact CE1-OE1 3.36Å; F32-E34 HydrophobicContact CZ-CG 3.86Å; F32-K43 CarbonylContact O-C 3.52Å; F32-K43 WeakPolarHBondContact O-CA 3.23Å; F32-K44 HydrophobicContact CB-CB 4.44Å; F32-K44 PolarHBondContact N-O 3.3Å; F32-K44 PolarHBondContact O-N 3.34Å; F32-A46 HydrophobicContact CB-CB 4.05Å; F32-L67 HydrophobicContact CB-CD1 4.4Å; F32-L67 HydrophobicContact CB-CD2 4.07Å; F32-L67 HydrophobicContact CD1-CD1 4.36Å; F32-L67 HydrophobicContact CD1-CD2 3.77Å; F32-L67 HydrophobicContact CD2-CD2 4.21Å; F32-L67 HydrophobicContact CE1-CD2 4.18Å; F32-L67 HydrophobicContact CG-CD2 3.76Å; F32-M96 CarbonylContact C-O 3.59Å; F32-M96 WeakPolarHBondContact CA-O 3.22Å; F32-M96 HydrophobicContact CB-CB 4.49Å; F32-M96 HydrophobicContact CD2-CB 3.93Å; F32-R98 HydrophobicContact CE2-CG 4.47Å; F32-R98 HydrophobicContact CZ-CG 4.07Å; F32-L127 HydrophobicContact CE2-CD2 3.79Å |
| 33 | V | 93.9 | Very high | 84 | Confident | 15 Ų | 15 | 61 Ų | 61 | 9% | 0.091 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 126.7 | -171.6 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | L41 S42 K43 E95 M96 | V33-L41 HydrophobicContact CG1-CD2 3.37Å; V33-S42 WeakPolarHBondContact CA-O 3.43Å; V33-K43 HydrophobicContact CG2-CG 4.34Å; V33-E95 HydrophobicContact CB-CG 4.43Å; V33-E95 HydrophobicContact CG2-CG 3.57Å; V33-M96 PolarHBondContact N-O 2.83Å |
| 34 | E | 88.1 | Confident | 85.4 | Confident | 32 Ų | 32 | 62.8 Ų | 62.8 | 15% | 0.15 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 145.2 | 175.7 | -61.3 | 178 | 116.5 | 0 | 0 | 110.1 | F32 A36 S42 K44 R98 | F32-E34 HydrophobicContact CD1-CG 3.91Å; F32-E34 HydrophobicContact CE1-CG 3.34Å; F32-E34 WeakPolarHBondContact CE1-OE1 3.36Å; F32-E34 HydrophobicContact CZ-CG 3.86Å; E34-A36 PolarHBondContact O-N 3.45Å; E34-S42 PolarHBondContact N-O 3.27Å; E34-S42 VanDerWaalsContact N-O 3.1Å; E34-S42 PolarHBondContact O-N 2.91Å; E34-S42 PolarHBondContact O-OG 2.87Å; E34-S42 VanDerWaalsContact O-OG 3.05Å; E34-K44 IonicContact OE2-NZ 3.92Å; E34-K44 PolarHBondContact OE2-NZ 2.88Å; E34-R98 IonicContact OE1-CZ 3.34Å; E34-R98 IonicContact OE1-NH1 2.78Å; E34-R98 PolarHBondContact OE1-NH1 2.91Å; E34-R98 IonicContact OE1-NH2 2.95Å; E34-R98 PolarHBondContact OE1-NH2 2.99Å |
| 35 | D | 78.6 | Confident | 86.2 | Confident | 128 Ų | 128 | 65.1 Ų | 65.1 | 68% | 0.684 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 119.8 | 168.2 | -166.2 | -17.9 | 0 | 0 | 0 | 108.7 | G37 | D35-G37 PolarHBondContact O-N 2.87Å; D35-G37 PolarHBondContact OD1-N 3.29Å |
| 36 | A | 72.6 | Confident | 86.5 | Confident | 66 Ų | 66 | 63.7 Ų | 63.7 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | trans | -82.6 | -1.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E34 G40 | E34-A36 PolarHBondContact O-N 3.45Å; A36-G40 WeakPolarHBondContact CB-O 3.48Å; A36-G40 PolarHBondContact N-O 2.98Å | ||
| 37 | G | 62.6 | Low | 86.8 | Confident | 46 Ų | 46 | 58.5 Ų | 58.5 | 47% | 0.474 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 77.3 | 157.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D35 G39 G40 | D35-G37 PolarHBondContact O-N 2.87Å; D35-G37 PolarHBondContact OD1-N 3.29Å; G37-G39 PolarHBondContact O-N 2.87Å; G37-G40 PolarHBondContact O-N 3.34Å |
| 38 | G | 66.3 | Low | 86.9 | Confident | 95 Ų | 95 | 57.1 Ų | 57.1 | 98% | 0.979 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 16.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 39 | G | 70.9 | Confident | 86.9 | Confident | 76 Ų | 76 | 57 Ų | 57 | 78% | 0.784 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G37 | G37-G39 PolarHBondContact O-N 2.87Š|
| 40 | G | 75.1 | Confident | 86.9 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 145.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A36 G37 | A36-G40 WeakPolarHBondContact CB-O 3.48Å; A36-G40 PolarHBondContact N-O 2.98Å; G37-G40 PolarHBondContact O-N 3.34Å |
| 41 | L | 85 | Confident | 86.5 | Confident | 132 Ų | 132 | 56.7 Ų | 56.7 | 69% | 0.691 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.3 | 172.2 | -77.5 | 138.6 | 0 | 0 | 0 | 109.6 | V33 | V33-L41 HydrophobicContact CG1-CD2 3.37Å |
| 42 | S | 88.8 | Confident | 85.9 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 26% | 0.259 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 142.2 | 171.2 | 68.2 | 0 | 0 | 0 | 0 | 110.4 | V33 E34 | V33-S42 WeakPolarHBondContact CA-O 3.43Å; E34-S42 PolarHBondContact N-O 3.27Å; E34-S42 VanDerWaalsContact N-O 3.1Å; E34-S42 PolarHBondContact O-N 2.91Å; E34-S42 PolarHBondContact O-OG 2.87Å; E34-S42 VanDerWaalsContact O-OG 3.05Å |
| 43 | K | 91.9 | Very high | 85.1 | Confident | 131 Ų | 131 | 54.7 Ų | 54.7 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.6 | 178.5 | -60 | -171 | 177.3 | -173 | 0 | 109.8 | W31 F32 V33 | W31-K43 HydrophobicContact CE3-CB 4.01Å; F32-K43 CarbonylContact O-C 3.52Å; F32-K43 WeakPolarHBondContact O-CA 3.23Å; V33-K43 HydrophobicContact CG2-CG 4.34Å |
| 44 | K | 93.8 | Very high | 84.2 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 40% | 0.4 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 143.2 | 175.1 | -65.8 | 171.3 | -175.6 | 159.4 | 0 | 109.5 | F32 E34 L67 | F32-K44 HydrophobicContact CB-CB 4.44Å; F32-K44 PolarHBondContact N-O 3.3Å; F32-K44 PolarHBondContact O-N 3.34Å; E34-K44 IonicContact OE2-NZ 3.92Å; E34-K44 PolarHBondContact OE2-NZ 2.88Å; K44-L67 HydrophobicContact CB-CD1 3.79Å; K44-L67 HydrophobicContact CD-CD1 4.23Å |
| 45 | P | 95.1 | Very high | 83.7 | Confident | 62 Ų | 62 | 71 Ų | 71 | 40% | 0.403 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 137.3 | 174.9 | 30.6 | -34.8 | 0 | 0 | 0 | 109.9 | L63 | P45-L63 HydrophobicContact CB-CD2 3.69Å; P45-L63 HydrophobicContact CG-CD2 3.93Å |
| 46 | A | 95.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 157.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | C30 F32 L67 M96 | C30-A46 HydrophobicContact CB-CB 4.38Å; C30-A46 PolarHBondContact N-O 3Å; C30-A46 PolarHBondContact O-N 3.48Å; F32-A46 HydrophobicContact CB-CB 4.05Å; A46-L67 CarbonylContact C-O 3.47Å; A46-L67 VanDerWaalsContact CA-O 3.28Å; A46-L67 WeakPolarHBondContact CA-O 3.36Å; A46-L67 HydrophobicContact CB-CB 3.91Å; A46-L67 WeakPolarHBondContact CB-O 3.38Å; A46-M96 HydrophobicContact CB-SD 3.92Å |
| 47 | T | 95.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 132.8 | -179.5 | -56 | 0 | 0 | 0 | 0 | 111 | A27 I28 E29 L63 L67 Y68 F69 | A27-T47 HydrophobicContact CB-CG2 3.84Å; I28-T47 WeakPolarHBondContact O-CA 3.31Å; E29-T47 PolarHBondContact OE2-OG1 3.45Å; T47-L63 WeakPolarHBondContact OG1-CD1 3.2Å; T47-L67 PolarHBondContact N-O 3.36Å; T47-Y68 HydrophobicContact CG2-CD2 4.19Å; T47-Y68 HydrophobicContact CG2-CE2 4.1Å; T47-F69 PolarHBondContact O-N 2.97Å |
| 48 | L | 95.3 | Very high | 85.4 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 112.1 | 169.8 | -65.9 | 170.1 | 0 | 0 | 0 | 109.1 | A27 I28 L50 F69 V71 M96 V129 L142 | A27-L48 CarbonylContact C-O 3.58Å; A27-L48 WeakPolarHBondContact CA-O 3.39Å; I28-L48 HydrophobicContact CB-CB 4.49Å; I28-L48 PolarHBondContact N-O 2.99Å; I28-L48 PolarHBondContact O-N 3.31Å; L48-L50 HydrophobicContact CB-CD2 4.47Å; L48-F69 HydrophobicContact CD2-CB 3.98Å; L48-F69 HydrophobicContact CD2-CD2 4.41Å; L48-V71 HydrophobicContact CB-CG2 4.11Å; L48-V71 HydrophobicContact CD2-CG2 4Å; L48-M96 HydrophobicContact CD1-SD 4.41Å; L48-M96 HydrophobicContact CD2-CE 4.04Å; L48-M96 HydrophobicContact CD2-SD 4.2Å; L48-M96 HydrophobicContact CG-SD 4.1Å; L48-V129 HydrophobicContact CD1-CG1 3.57Å; L48-V129 HydrophobicContact CD1-CG2 4.15Å; L48-L142 HydrophobicContact CD2-CD2 3.98Å |
| 49 | L | 94.2 | Very high | 86.4 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 113.3 | 171.3 | -177.5 | 70.5 | 0 | 0 | 0 | 109.5 | A27 R51 H52 P57 Y68 F69 V71 I155 | A27-L49 HydrophobicContact CB-CD1 4.24Å; L49-R51 WeakPolarHBondContact CD1-O 3.27Å; L49-H52 HydrophobicContact CD1-CB 4.48Å; L49-H52 HydrophobicContact CD2-CB 4.29Å; L49-P57 HydrophobicContact CD2-CB 3.51Å; L49-Y68 HydrophobicContact CB-CE2 3.89Å; L49-F69 WeakPolarHBondContact CB-O 3.29Å; L49-F69 PolarHBondContact N-O 3.23Å; L49-V71 WeakPolarHBondContact O-CB 3.36Å; L49-V71 PolarHBondContact O-N 2.91Å; L49-I155 HydrophobicContact CB-CD1 4.28Å; L49-I155 HydrophobicContact CD2-CD1 3.65Å |
| 50 | L | 93.6 | Very high | 87.3 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | trans | -90.1 | -34.3 | -177.1 | -52.1 | 178.3 | 0 | 0 | 0 | 112.2 | P25 E26 I28 L48 V71 L79 F82 | P25-L50 HydrophobicContact CG-CD1 4.14Å; E26-L50 WeakPolarHBondContact O-CB 3.43Å; E26-L50 PolarHBondContact O-N 3.46Å; I28-L50 HydrophobicContact CD1-CD1 3.83Å; I28-L50 HydrophobicContact CD1-CD2 3.92Å; I28-L50 HydrophobicContact CD1-CG 4.19Å; I28-L50 HydrophobicContact CG1-CD1 3.88Å; I28-L50 HydrophobicContact CG1-CD2 4.49Å; I28-L50 HydrophobicContact CG1-CG 4.29Å; L48-L50 HydrophobicContact CB-CD2 4.47Å; L50-V71 HydrophobicContact CD2-CG2 4.13Å; L50-L79 HydrophobicContact CB-CD2 3.84Å; L50-L79 HydrophobicContact CD2-CD2 4.19Å; L50-L79 WeakPolarHBondContact O-CD2 3.49Å; L50-F82 HydrophobicContact CD1-CB 3.47Å; L50-F82 VanDerWaalsContact CD1-CB 3.47Å; L50-F82 HydrophobicContact CD1-CD1 4.02Å; L50-F82 HydrophobicContact CD1-CD2 3.75Å; L50-F82 HydrophobicContact CD1-CG 3.45Å; L50-F82 VanDerWaalsContact CD1-CG 3.45Å; L50-F82 HydrophobicContact CD2-CD2 4.13Å | ||
| 51 | R | 88.7 | Confident | 87.8 | Confident | 77 Ų | 77 | 68 Ų | 68 | 29% | 0.291 | 37% | 0.365 | S | S | . | . | trans | -158.6 | 150.2 | -176.8 | 57.5 | -165.4 | -173.9 | 98.2 | 0.5 | 109.4 | A23 G24 P25 E26 L49 | A23-R51 VanDerWaalsContact CB-NH2 3.35Å; A23-R51 PolarHBondContact O-NH2 3.34Å; G24-R51 PolarHBondContact O-NH2 3.48Å; P25-R51 PolarHBondContact O-NE 2.94Å; E26-R51 HydrophobicContact CB-CG 4.2Å; E26-R51 HydrophobicContact CG-CG 4.12Å; E26-R51 PolarHBondContact O-N 2.94Å; E26-R51 IonicContact OE1-NH1 3.68Å; L49-R51 WeakPolarHBondContact CD1-O 3.27Å | ||
| 52 | H | 83.3 | Confident | 87.9 | Confident | 72 Ų | 72 | 66.4 Ų | 66.4 | 33% | 0.333 | 36% | 0.357 | S | S | . | . | trans | -140.3 | 152 | 174 | 62.7 | 75.7 | 0 | 0 | 0 | 110.1 | L49 K70 | L49-H52 HydrophobicContact CD1-CB 4.48Å; L49-H52 HydrophobicContact CD2-CB 4.29Å; H52-K70 PolarHBondContact NE2-NZ 2.85Å | ||
| 53 | G | 78.7 | Confident | 87.9 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | trans | -70.8 | -178 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | R55 G56 | G53-R55 PolarHBondContact O-N 3.3Å; G53-R55 VanDerWaalsContact O-N 3.09Å; G53-G56 PolarHBondContact O-N 2.94Å | ||
| 54 | P | 75.8 | Confident | 87.6 | Confident | 146 Ų | 146 | 63 Ų | 63 | 95% | 0.948 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.4 | 178.3 | 25.7 | -34.5 | 0 | 0 | 0 | 113.6 | G56 | P54-G56 PolarHBondContact O-N 3.31Š|
| 55 | R | 76.9 | Confident | 87 | Confident | 243 Ų | 243 | 61.1 Ų | 61.1 | 92% | 0.917 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -1 | 174.8 | -65 | -176.7 | -174.1 | 148.1 | 1.3 | 113.8 | G53 | G53-R55 PolarHBondContact O-N 3.3Å; G53-R55 VanDerWaalsContact O-N 3.09Å |
| 56 | G | 78.4 | Confident | 86.5 | Confident | 18 Ų | 18 | 65 Ų | 65 | 19% | 0.186 | 35% | 0.35 | C | S | . | . | trans | 82.9 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G53 P54 | G53-G56 PolarHBondContact O-N 2.94Å; P54-G56 PolarHBondContact O-N 3.31Å | ||
| 57 | P | 84.1 | Confident | 86.4 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -63.5 | 138 | 179.2 | 27.4 | -35.2 | 0 | 0 | 0 | 111.5 | L49 V153 I155 | L49-P57 HydrophobicContact CD2-CB 3.51Å; P57-V153 HydrophobicContact CG-CB 4.29Å; P57-V153 WeakPolarHBondContact O-CG2 3.4Å; P57-I155 HydrophobicContact CB-CD1 4.01Å |
| 58 | P | 87.5 | Confident | 86.2 | Confident | 60 Ų | 60 | 65.9 Ų | 65.9 | 39% | 0.39 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 140 | 176.6 | 26.8 | -33.7 | 0 | 0 | 0 | 111.7 | Y68 | P58-Y68 WeakPolarHBondContact CD-OH 3.32Å; P58-Y68 WeakPolarHBondContact O-CE1 3.41Å; P58-Y68 PolarHBondContact O-OH 3.02Å; P58-Y68 VanDerWaalsContact O-OH 3.09Å |
| 59 | P | 86.6 | Confident | 86.1 | Confident | 97 Ų | 97 | 66.1 Ų | 66.1 | 63% | 0.63 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 137 | 176.6 | 28.2 | -33.7 | 0 | 0 | 0 | 111.5 | V153 | P59-V153 HydrophobicContact CB-CG2 4.07Š|
| 60 | R | 89.3 | Confident | 86.1 | Confident | 61 Ų | 61 | 68.9 Ų | 68.9 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | trans | -126.6 | 77.1 | 178.4 | -66.7 | -63.3 | -66.9 | -96.6 | -5.1 | 111.2 | E29 D62 L63 Y68 | E29-R60 IonicContact OE1-CZ 3.47Å; E29-R60 IonicContact OE1-NH1 3.01Å; E29-R60 PolarHBondContact OE1-NH1 2.81Å; E29-R60 IonicContact OE1-NH2 2.98Å; E29-R60 PolarHBondContact OE1-NH2 2.85Å; E29-R60 IonicContact OE2-CZ 3.78Å; E29-R60 IonicContact OE2-NH1 3.38Å; E29-R60 IonicContact OE2-NH2 2.74Å; E29-R60 PolarHBondContact OE2-NH2 3.28Å; R60-D62 VanDerWaalsContact C-OD1 3.31Å; R60-D62 VanDerWaalsContact CA-OD1 3.31Å; R60-D62 WeakPolarHBondContact CA-OD1 3.33Å; R60-D62 WeakPolarHBondContact CB-OD1 3.3Å; R60-D62 IonicContact CZ-OD2 3.86Å; R60-D62 IonicContact NE-OD1 3.83Å; R60-D62 PolarHBondContact NE-OD1 2.84Å; R60-D62 IonicContact NE-OD2 2.8Å; R60-D62 PolarHBondContact NE-OD2 3.37Å; R60-D62 IonicContact NH2-OD2 2.99Å; R60-D62 PolarHBondContact NH2-OD2 2.85Å; R60-D62 PolarHBondContact O-N 3.35Å; R60-L63 HydrophobicContact CB-CB 4.31Å; R60-L63 HydrophobicContact CB-CD1 3.75Å; R60-L63 HydrophobicContact CB-CG 4.12Å; R60-L63 HydrophobicContact CG-CD1 4.04Å; R60-L63 PolarHBondContact O-N 2.95Å; R60-Y68 HydrophobicContact CB-CD1 4.35Å; R60-Y68 HydrophobicContact CB-CE1 4.45Å; R60-Y68 HydrophobicContact CG-CD1 4.47Å; R60-Y68 HydrophobicContact CG-CE1 4.19Å; R60-Y68 HydrophobicContact CG-CE2 4.37Å | ||
| 61 | P | 85.6 | Confident | 86.2 | Confident | 130 Ų | 130 | 68.7 Ų | 68.7 | 84% | 0.844 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -13.9 | 178.8 | 31.2 | -35.7 | 0 | 0 | 0 | 112.9 | L63 | P61-L63 VanDerWaalsContact C-N 3.28Š|
| 62 | D | 88.8 | Confident | 86.4 | Confident | 98 Ų | 98 | 68.2 Ų | 68.2 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -15.9 | 174.9 | 58 | -57.4 | 0 | 0 | 0 | 113.6 | R60 | R60-D62 VanDerWaalsContact C-OD1 3.31Å; R60-D62 VanDerWaalsContact CA-OD1 3.31Å; R60-D62 WeakPolarHBondContact CA-OD1 3.33Å; R60-D62 WeakPolarHBondContact CB-OD1 3.3Å; R60-D62 IonicContact CZ-OD2 3.86Å; R60-D62 IonicContact NE-OD1 3.83Å; R60-D62 PolarHBondContact NE-OD1 2.84Å; R60-D62 IonicContact NE-OD2 2.8Å; R60-D62 PolarHBondContact NE-OD2 3.37Å; R60-D62 IonicContact NH2-OD2 2.99Å; R60-D62 PolarHBondContact NH2-OD2 2.85Å; R60-D62 PolarHBondContact O-N 3.35Å |
| 63 | L | 88 | Confident | 87 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 7% | 0.068 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -111.9 | 152.4 | -174.3 | -60.9 | 175 | 0 | 0 | 0 | 112.1 | P45 T47 R60 P61 P65 | P45-L63 HydrophobicContact CB-CD2 3.69Å; P45-L63 HydrophobicContact CG-CD2 3.93Å; T47-L63 WeakPolarHBondContact OG1-CD1 3.2Å; R60-L63 HydrophobicContact CB-CB 4.31Å; R60-L63 HydrophobicContact CB-CD1 3.75Å; R60-L63 HydrophobicContact CB-CG 4.12Å; R60-L63 HydrophobicContact CG-CD1 4.04Å; R60-L63 PolarHBondContact O-N 2.95Å; P61-L63 VanDerWaalsContact C-N 3.28Å; L63-P65 WeakPolarHBondContact O-CD 3.48Å |
| 64 | D | 85.1 | Confident | 87.7 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 44% | 0.444 | 36% | 0.359 | S | S | . | . | trans | -63.3 | 125.5 | 159.6 | -173.6 | -25.3 | 0 | 0 | 0 | 108.2 | K66 L67 Y68 | D64-K66 PolarHBondContact O-N 2.79Å; D64-K66 VanDerWaalsContact O-N 3.07Å; D64-K66 WeakPolarHBondContact OD1-CB 3.38Å; D64-K66 PolarHBondContact OD1-N 3.49Å; D64-L67 HydrophobicContact CB-CB 4.32Å; D64-L67 HydrophobicContact CB-CD1 4.18Å; D64-L67 HydrophobicContact CB-CG 4.17Å; D64-L67 CarbonylContact O-C 3.6Å; D64-L67 WeakPolarHBondContact O-CA 3.48Å; D64-L67 PolarHBondContact O-N 3.32Å; D64-Y68 PolarHBondContact O-N 2.96Å | ||
| 65 | P | 81.4 | Confident | 88.6 | Confident | 53 Ų | 53 | 60.9 Ų | 60.9 | 34% | 0.344 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -58 | -21.7 | 177.7 | -24.7 | 33.8 | 0 | 0 | 0 | 114.5 | L63 L67 Y68 V154 T156 | L63-P65 WeakPolarHBondContact O-CD 3.48Å; P65-L67 PolarHBondContact O-N 2.88Å; P65-Y68 PolarHBondContact O-N 3.17Å; P65-V154 HydrophobicContact CB-CB 3.8Å; P65-V154 HydrophobicContact CB-CG1 3.39Å; P65-V154 HydrophobicContact CG-CB 4.22Å; P65-V154 HydrophobicContact CG-CG1 4.1Å; P65-T156 PolarHBondContact O-OG1 3.07Å; P65-T156 VanDerWaalsContact O-OG1 3.08Å |
| 66 | K | 85.6 | Confident | 89.5 | Confident | 142 Ų | 142 | 50.6 Ų | 50.6 | 62% | 0.617 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -75.2 | -11.7 | 172.6 | -63.8 | -175.8 | 177.1 | -173.1 | 0 | 113.6 | D64 F69 | D64-K66 PolarHBondContact O-N 2.79Å; D64-K66 VanDerWaalsContact O-N 3.07Å; D64-K66 WeakPolarHBondContact OD1-CB 3.38Å; D64-K66 PolarHBondContact OD1-N 3.49Å; K66-F69 WeakPolarHBondContact O-CE1 3.42Å; K66-F69 WeakPolarHBondContact O-CZ 3.48Å |
| 67 | L | 91.1 | Very high | 90.3 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -111.2 | 6.9 | 176.3 | -62.1 | 180 | 0 | 0 | 0 | 112.2 | F32 K44 A46 T47 D64 P65 F69 | F32-L67 HydrophobicContact CB-CD1 4.4Å; F32-L67 HydrophobicContact CB-CD2 4.07Å; F32-L67 HydrophobicContact CD1-CD1 4.36Å; F32-L67 HydrophobicContact CD1-CD2 3.77Å; F32-L67 HydrophobicContact CD2-CD2 4.21Å; F32-L67 HydrophobicContact CE1-CD2 4.18Å; F32-L67 HydrophobicContact CG-CD2 3.76Å; K44-L67 HydrophobicContact CB-CD1 3.79Å; K44-L67 HydrophobicContact CD-CD1 4.23Å; A46-L67 CarbonylContact C-O 3.47Å; A46-L67 VanDerWaalsContact CA-O 3.28Å; A46-L67 WeakPolarHBondContact CA-O 3.36Å; A46-L67 HydrophobicContact CB-CB 3.91Å; A46-L67 WeakPolarHBondContact CB-O 3.38Å; T47-L67 PolarHBondContact N-O 3.36Å; D64-L67 HydrophobicContact CB-CB 4.32Å; D64-L67 HydrophobicContact CB-CD1 4.18Å; D64-L67 HydrophobicContact CB-CG 4.17Å; D64-L67 CarbonylContact O-C 3.6Å; D64-L67 WeakPolarHBondContact O-CA 3.48Å; D64-L67 PolarHBondContact O-N 3.32Å; P65-L67 PolarHBondContact O-N 2.88Å; L67-F69 HydrophobicContact CD2-CE2 4.37Å |
| 68 | Y | 92.9 | Very high | 90.8 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 108.3 | 169.2 | -175.1 | -151.2 | 0 | 0 | 0 | 109.5 | T47 L49 P58 R60 D64 P65 V153 I155 T156 | T47-Y68 HydrophobicContact CG2-CD2 4.19Å; T47-Y68 HydrophobicContact CG2-CE2 4.1Å; L49-Y68 HydrophobicContact CB-CE2 3.89Å; P58-Y68 WeakPolarHBondContact CD-OH 3.32Å; P58-Y68 WeakPolarHBondContact O-CE1 3.41Å; P58-Y68 PolarHBondContact O-OH 3.02Å; P58-Y68 VanDerWaalsContact O-OH 3.09Å; R60-Y68 HydrophobicContact CB-CD1 4.35Å; R60-Y68 HydrophobicContact CB-CE1 4.45Å; R60-Y68 HydrophobicContact CG-CD1 4.47Å; R60-Y68 HydrophobicContact CG-CE1 4.19Å; R60-Y68 HydrophobicContact CG-CE2 4.37Å; D64-Y68 PolarHBondContact O-N 2.96Å; P65-Y68 PolarHBondContact O-N 3.17Å; Y68-V153 HydrophobicContact CD1-CG1 4.46Å; Y68-V153 HydrophobicContact CE1-CG1 4.15Å; Y68-I155 HydrophobicContact CD1-CB 4.01Å; Y68-I155 HydrophobicContact CD1-CD1 3.85Å; Y68-I155 HydrophobicContact CD1-CG1 3.74Å; Y68-I155 HydrophobicContact CD2-CD1 4.2Å; Y68-I155 HydrophobicContact CD2-CG1 4.39Å; Y68-I155 HydrophobicContact CE1-CB 4.24Å; Y68-I155 HydrophobicContact CE1-CD1 3.52Å; Y68-I155 HydrophobicContact CE1-CG1 3.94Å; Y68-I155 HydrophobicContact CE2-CD1 3.9Å; Y68-I155 HydrophobicContact CG-CD1 4.18Å; Y68-I155 HydrophobicContact CG-CG1 3.98Å; Y68-I155 WeakPolarHBondContact O-CG1 3.39Å; Y68-T156 PolarHBondContact O-N 2.95Å |
| 69 | F | 93.2 | Very high | 91.2 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.7 | -170.9 | -61.8 | -78.1 | 0 | 0 | 0 | 112.2 | T47 L48 L49 K66 L67 M96 L127 P144 T156 A158 | T47-F69 PolarHBondContact O-N 2.97Å; L48-F69 HydrophobicContact CD2-CB 3.98Å; L48-F69 HydrophobicContact CD2-CD2 4.41Å; L49-F69 WeakPolarHBondContact CB-O 3.29Å; L49-F69 PolarHBondContact N-O 3.23Å; K66-F69 WeakPolarHBondContact O-CE1 3.42Å; K66-F69 WeakPolarHBondContact O-CZ 3.48Å; L67-F69 HydrophobicContact CD2-CE2 4.37Å; F69-M96 HydrophobicContact CD2-CE 3.58Å; F69-M96 HydrophobicContact CD2-SD 4.45Å; F69-M96 HydrophobicContact CE2-CE 3.44Å; F69-M96 VanDerWaalsContact CE2-CE 3.44Å; F69-M96 HydrophobicContact CE2-SD 4.49Å; F69-M96 HydrophobicContact CZ-CE 4.35Å; F69-L127 HydrophobicContact CD1-CD1 4.36Å; F69-L127 HydrophobicContact CE1-CD1 3.64Å; F69-L127 HydrophobicContact CE2-CD1 3.98Å; F69-L127 HydrophobicContact CZ-CD1 3.4Å; F69-P144 HydrophobicContact CD1-CB 4.47Å; F69-P144 HydrophobicContact CE1-CB 3.96Å; F69-T156 CarbonylContact C-O 3.53Å; F69-T156 WeakPolarHBondContact CA-O 3.37Å; F69-T156 HydrophobicContact CD1-CG2 3.98Å; F69-T156 HydrophobicContact CE1-CG2 3.94Å; F69-A158 HydrophobicContact CB-CB 4.25Å; F69-A158 HydrophobicContact CD1-CB 3.96Å; F69-A158 HydrophobicContact CG-CB 4.42Å |
| 70 | K | 93.2 | Very high | 91.6 | Very high | 61 Ų | 61 | 45.6 Ų | 45.6 | 27% | 0.265 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 117.4 | 165.3 | 177.2 | 166.2 | 160.8 | 175.6 | 0 | 109.1 | H52 D72 I155 T156 M157 A158 | H52-K70 PolarHBondContact NE2-NZ 2.85Å; K70-D72 PolarHBondContact O-N 3.01Å; K70-I155 HydrophobicContact CB-CD1 3.63Å; K70-I155 HydrophobicContact CB-CG1 3.98Å; K70-T156 PolarHBondContact N-O 2.98Å; K70-M157 HydrophobicContact CB-CE 4.31Å; K70-M157 HydrophobicContact CB-SD 3.52Å; K70-M157 VanDerWaalsContact CB-SD 3.52Å; K70-M157 HydrophobicContact CD-CE 4.23Å; K70-M157 HydrophobicContact CD-SD 3.41Å; K70-M157 WeakPolarHBondContact CD-SD 3.19Å; K70-M157 HydrophobicContact CG-CE 3.9Å; K70-M157 HydrophobicContact CG-SD 3.45Å; K70-M157 WeakPolarHBondContact CG-SD 3.49Å; K70-A158 PolarHBondContact O-N 3.2Å |
| 71 | V | 95.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 122.3 | -178 | 177 | 0 | 0 | 0 | 0 | 109.8 | L48 L49 L50 D73 L78 L79 V160 | L48-V71 HydrophobicContact CB-CG2 4.11Å; L48-V71 HydrophobicContact CD2-CG2 4Å; L49-V71 WeakPolarHBondContact O-CB 3.36Å; L49-V71 PolarHBondContact O-N 2.91Å; L50-V71 HydrophobicContact CD2-CG2 4.13Å; V71-D73 HydrophobicContact CG1-CB 4.14Å; V71-L78 HydrophobicContact CG1-CD2 3.71Å; V71-L79 HydrophobicContact CG1-CD2 4.12Å; V71-L79 HydrophobicContact CG1-CG 4.5Å; V71-V160 HydrophobicContact CG1-CG2 3.86Å |
| 72 | D | 94 | Very high | 92.2 | Very high | 67 Ų | 67 | 37 Ų | 37 | 36% | 0.358 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114.2 | 164.3 | 173.4 | 43 | 0 | 0 | 0 | 107.6 | K70 P74 M157 A158 T159 V160 | K70-D72 PolarHBondContact O-N 3.01Å; D72-P74 WeakPolarHBondContact O-CD 3.37Å; D72-M157 HydrophobicContact CB-CE 3.74Å; D72-A158 PolarHBondContact N-O 3.37Å; D72-T159 CarbonylContact O-C 3.51Å; D72-T159 VanDerWaalsContact O-CA 3.29Å; D72-T159 WeakPolarHBondContact O-CA 3.49Å; D72-T159 WeakPolarHBondContact OD2-CG2 3.34Å; D72-T159 PolarHBondContact OD2-OG1 3.4Å; D72-V160 WeakPolarHBondContact O-CG2 2.94Å; D72-V160 PolarHBondContact O-N 3.22Å |
| 73 | D | 95.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | trans | -122.9 | 84.8 | -173.3 | 176.9 | 18.3 | 0 | 0 | 0 | 109.8 | V71 A75 G76 M77 L78 L79 V160 | V71-D73 HydrophobicContact CG1-CB 4.14Å; D73-A75 VanDerWaalsContact C-N 3.28Å; D73-A75 PolarHBondContact O-N 2.78Å; D73-G76 VanDerWaalsContact CG-CA 3.45Å; D73-G76 VanDerWaalsContact CG-N 3.31Å; D73-G76 PolarHBondContact O-N 3.15Å; D73-G76 PolarHBondContact OD1-N 2.87Å; D73-G76 WeakPolarHBondContact OD2-CA 3.49Å; D73-G76 PolarHBondContact OD2-N 3.36Å; D73-M77 PolarHBondContact OD2-N 3.35Å; D73-L78 WeakPolarHBondContact OD2-CA 3.49Å; D73-L78 WeakPolarHBondContact OD2-CB 3.48Å; D73-L78 PolarHBondContact OD2-N 2.97Å; D73-L79 HydrophobicContact CB-CD1 3.78Å; D73-L79 HydrophobicContact CB-CG 3.72Å; D73-L79 PolarHBondContact OD2-N 3.44Å; D73-V160 HydrophobicContact CB-CB 4.34Å; D73-V160 HydrophobicContact CB-CG2 4Å | ||
| 74 | P | 94.4 | Very high | 92.3 | Very high | 65 Ų | 65 | 48.6 Ų | 48.6 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -38.6 | -176 | -24.8 | 33.9 | 0 | 0 | 0 | 112.9 | D72 G76 T159 A188 | D72-P74 WeakPolarHBondContact O-CD 3.37Å; P74-G76 VanDerWaalsContact C-N 3.3Å; P74-T159 HydrophobicContact CG-CG2 3.9Å; P74-A188 HydrophobicContact CB-CB 3.97Å; P74-A188 HydrophobicContact CG-CB 4.22Å |
| 75 | A | 93.8 | Very high | 92.5 | Very high | 24 Ų | 24 | 45 Ų | 45 | 20% | 0.198 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -14.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | D73 M77 A186 P252 | D73-A75 VanDerWaalsContact C-N 3.28Å; D73-A75 PolarHBondContact O-N 2.78Å; A75-M77 PolarHBondContact O-N 3.04Å; A75-M77 VanDerWaalsContact O-N 3.11Å; A75-A186 HydrophobicContact CB-CB 3.7Å; A75-P252 HydrophobicContact CB-CB 3.68Å; A75-P252 HydrophobicContact CB-CG 4.2Å |
| 76 | G | 95.1 | Very high | 92.9 | Very high | 26 Ų | 26 | 45.4 Ų | 45.4 | 27% | 0.268 | 23% | 0.227 | S | C | . | . | trans | 72.8 | -2.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | D73 P74 A80 | D73-G76 VanDerWaalsContact CG-CA 3.45Å; D73-G76 VanDerWaalsContact CG-N 3.31Å; D73-G76 PolarHBondContact O-N 3.15Å; D73-G76 PolarHBondContact OD1-N 2.87Å; D73-G76 WeakPolarHBondContact OD2-CA 3.49Å; D73-G76 PolarHBondContact OD2-N 3.36Å; P74-G76 VanDerWaalsContact C-N 3.3Å; G76-A80 WeakPolarHBondContact O-CB 3.36Å; G76-A80 PolarHBondContact O-N 2.97Å | ||
| 77 | M | 95.9 | Very high | 92.7 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.7 | -41.5 | -174.4 | -178 | 172.5 | -76.8 | 0 | 0 | 112.4 | D73 A75 A81 T163 L165 R184 F185 A186 T254 | D73-M77 PolarHBondContact OD2-N 3.35Å; A75-M77 PolarHBondContact O-N 3.04Å; A75-M77 VanDerWaalsContact O-N 3.11Å; M77-A81 PolarHBondContact O-N 3.5Å; M77-A81 VanDerWaalsContact O-N 3.09Å; M77-T163 HydrophobicContact CB-CG2 4.17Å; M77-T163 HydrophobicContact CG-CG2 3.8Å; M77-T163 HydrophobicContact SD-CG2 3.88Å; M77-L165 HydrophobicContact CG-CB 4.44Å; M77-L165 HydrophobicContact CG-CD2 4.03Å; M77-L165 HydrophobicContact SD-CB 4.02Å; M77-L165 HydrophobicContact SD-CD2 4.45Å; M77-R184 HydrophobicContact CE-CB 3.86Å; M77-R184 HydrophobicContact SD-CB 4.39Å; M77-F185 VanDerWaalsContact CE-C 3.44Å; M77-F185 VanDerWaalsContact CE-O 3.3Å; M77-F185 WeakPolarHBondContact CE-O 3.35Å; M77-A186 HydrophobicContact CB-CB 3.67Å; M77-A186 HydrophobicContact CE-CB 3.81Å; M77-A186 HydrophobicContact CG-CB 4.33Å; M77-A186 HydrophobicContact SD-CB 3.79Å; M77-T254 HydrophobicContact CE-CG2 4.31Å |
| 78 | L | 95.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -51.2 | 178.7 | 178.8 | 71.2 | 0 | 0 | 0 | 110 | V71 D73 A80 A81 F82 L138 V160 | V71-L78 HydrophobicContact CG1-CD2 3.71Å; D73-L78 WeakPolarHBondContact OD2-CA 3.49Å; D73-L78 WeakPolarHBondContact OD2-CB 3.48Å; D73-L78 PolarHBondContact OD2-N 2.97Å; L78-A80 VanDerWaalsContact C-N 3.34Å; L78-A80 PolarHBondContact O-N 3.31Å; L78-A81 PolarHBondContact O-N 2.97Å; L78-F82 HydrophobicContact CD1-CD2 4.33Å; L78-F82 HydrophobicContact CD1-CE2 3.7Å; L78-F82 HydrophobicContact CG-CD2 4.47Å; L78-F82 HydrophobicContact CG-CE2 4.28Å; L78-F82 WeakPolarHBondContact O-CD2 3.4Å; L78-F82 PolarHBondContact O-N 3.38Å; L78-L138 HydrophobicContact CD1-CD1 3.31Å; L78-L138 HydrophobicContact CD1-CD2 4.04Å; L78-L138 HydrophobicContact CD1-CG 4.35Å; L78-V160 HydrophobicContact CD2-CG2 3.6Å |
| 79 | L | 95.4 | Very high | 92 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 179.9 | -66.7 | -179.5 | 0 | 0 | 0 | 111.9 | L50 V71 D73 A81 F82 R83 | L50-L79 HydrophobicContact CB-CD2 3.84Å; L50-L79 HydrophobicContact CD2-CD2 4.19Å; L50-L79 WeakPolarHBondContact O-CD2 3.49Å; V71-L79 HydrophobicContact CG1-CD2 4.12Å; V71-L79 HydrophobicContact CG1-CG 4.5Å; D73-L79 HydrophobicContact CB-CD1 3.78Å; D73-L79 HydrophobicContact CB-CG 3.72Å; D73-L79 PolarHBondContact OD2-N 3.44Å; L79-A81 VanDerWaalsContact C-N 3.35Å; L79-A81 PolarHBondContact O-N 3Å; L79-F82 PolarHBondContact O-N 2.77Å; L79-R83 WeakPolarHBondContact O-CB 3.33Å; L79-R83 VanDerWaalsContact O-CG 3.3Å; L79-R83 WeakPolarHBondContact O-CG 3.48Å; L79-R83 PolarHBondContact O-N 2.81Å |
| 80 | A | 94.7 | Very high | 91.9 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G76 L78 F82 R83 R84 | G76-A80 WeakPolarHBondContact O-CB 3.36Å; G76-A80 PolarHBondContact O-N 2.97Å; L78-A80 VanDerWaalsContact C-N 3.34Å; L78-A80 PolarHBondContact O-N 3.31Å; A80-F82 PolarHBondContact O-N 2.87Å; A80-R83 PolarHBondContact O-N 3.26Å; A80-R84 PolarHBondContact O-N 3.3Å |
| 81 | A | 93.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | M77 L78 L79 R84 F136 L165 | M77-A81 PolarHBondContact O-N 3.5Å; M77-A81 VanDerWaalsContact O-N 3.09Å; L78-A81 PolarHBondContact O-N 2.97Å; L79-A81 VanDerWaalsContact C-N 3.35Å; L79-A81 PolarHBondContact O-N 3Å; A81-R84 PolarHBondContact O-N 3Å; A81-F136 HydrophobicContact CB-CD1 4.43Å; A81-F136 HydrophobicContact CB-CE1 4.12Å; A81-F136 HydrophobicContact CB-CZ 4.37Å; A81-F136 WeakPolarHBondContact O-CE1 3.02Å; A81-L165 HydrophobicContact CB-CD1 4.19Å; A81-L165 HydrophobicContact CB-CD2 4.1Å |
| 82 | F | 93.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.018 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -73.8 | -29.2 | 178.5 | -70.8 | -70.7 | 0 | 0 | 0 | 114.1 | G24 P25 I28 L50 L78 L79 A80 R84 Y85 P92 V131 F136 L138 | G24-F82 WeakPolarHBondContact CA-O 3.33Å; P25-F82 HydrophobicContact CG-CB 4.25Å; P25-F82 HydrophobicContact CG-CD1 3.64Å; P25-F82 HydrophobicContact CG-CG 4.3Å; I28-F82 HydrophobicContact CD1-CD1 3.75Å; I28-F82 HydrophobicContact CD1-CD2 3.93Å; I28-F82 HydrophobicContact CD1-CE1 3.2Å; I28-F82 HydrophobicContact CD1-CE2 3.43Å; I28-F82 VanDerWaalsContact CD1-CE2 3.43Å; I28-F82 HydrophobicContact CD1-CG 4.1Å; I28-F82 HydrophobicContact CD1-CZ 3.06Å; I28-F82 HydrophobicContact CG1-CD1 4.29Å; I28-F82 HydrophobicContact CG1-CE1 3.96Å; I28-F82 HydrophobicContact CG1-CZ 4.27Å; L50-F82 HydrophobicContact CD1-CB 3.47Å; L50-F82 VanDerWaalsContact CD1-CB 3.47Å; L50-F82 HydrophobicContact CD1-CD1 4.02Å; L50-F82 HydrophobicContact CD1-CD2 3.75Å; L50-F82 HydrophobicContact CD1-CG 3.45Å; L50-F82 VanDerWaalsContact CD1-CG 3.45Å; L50-F82 HydrophobicContact CD2-CD2 4.13Å; L78-F82 HydrophobicContact CD1-CD2 4.33Å; L78-F82 HydrophobicContact CD1-CE2 3.7Å; L78-F82 HydrophobicContact CG-CD2 4.47Å; L78-F82 HydrophobicContact CG-CE2 4.28Å; L78-F82 WeakPolarHBondContact O-CD2 3.4Å; L78-F82 PolarHBondContact O-N 3.38Å; L79-F82 PolarHBondContact O-N 2.77Å; A80-F82 PolarHBondContact O-N 2.87Å; F82-R84 PolarHBondContact O-N 2.88Å; F82-Y85 WeakPolarHBondContact O-CB 3.36Å; F82-Y85 PolarHBondContact O-N 2.84Å; F82-Y85 VanDerWaalsContact O-N 3.08Å; F82-P92 HydrophobicContact CE1-CG 4.11Å; F82-V131 HydrophobicContact CE1-CG1 4.38Å; F82-V131 HydrophobicContact CZ-CB 4.41Å; F82-V131 HydrophobicContact CZ-CG1 4.01Å; F82-V131 HydrophobicContact CZ-CG2 4.18Å; F82-F136 AromaticContact CD1-CZ 3.82Å; F82-F136 HydrophobicContact CD1-CZ 3.82Å; F82-F136 HydrophobicContact CE1-CE2 4.03Å; F82-F136 AromaticContact CE1-CZ 3.48Å; F82-F136 HydrophobicContact CE1-CZ 3.48Å; F82-F136 VanDerWaalsContact CE1-CZ 3.48Å; F82-F136 HydrophobicContact CE2-CZ 4.47Å; F82-F136 HydrophobicContact CG-CZ 4.44Å; F82-F136 AromaticContact CZ-CE2 3.99Å; F82-F136 HydrophobicContact CZ-CE2 3.99Å; F82-F136 AromaticContact CZ-CZ 3.81Å; F82-F136 HydrophobicContact CZ-CZ 3.81Å; F82-L138 HydrophobicContact CE2-CD2 3.82Å; F82-L138 HydrophobicContact CZ-CD2 3.76Å |
| 83 | R | 91.4 | Very high | 91.8 | Very high | 169 Ų | 169 | 56.4 Ų | 56.4 | 64% | 0.638 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.3 | -29.1 | 171.7 | -78 | 177.9 | -171.4 | 176.3 | 5.2 | 112.6 | L79 A80 Y85 | L79-R83 WeakPolarHBondContact O-CB 3.33Å; L79-R83 VanDerWaalsContact O-CG 3.3Å; L79-R83 WeakPolarHBondContact O-CG 3.48Å; L79-R83 PolarHBondContact O-N 2.81Å; A80-R83 PolarHBondContact O-N 3.26Å; R83-Y85 VanDerWaalsContact C-N 3.3Å |
| 84 | R | 87.8 | Confident | 91.8 | Very high | 186 Ų | 186 | 56.2 Ų | 56.2 | 70% | 0.702 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -0.8 | 176.4 | -65.7 | 177.5 | -175.9 | 173.7 | 1.7 | 113.1 | A80 A81 F82 P86 | A80-R84 PolarHBondContact O-N 3.3Å; A81-R84 PolarHBondContact O-N 3Å; F82-R84 PolarHBondContact O-N 2.88Å; R84-P86 WeakPolarHBondContact O-CD 3.47Å |
| 85 | Y | 89.1 | Confident | 91.9 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 4% | 0.035 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -69.1 | 124 | -179.9 | -151.3 | -99.9 | 0 | 0 | 0 | 110.4 | S22 G24 F82 R83 A89 S90 L135 F136 | S22-Y85 PolarHBondContact OG-O 2.92Å; S22-Y85 VanDerWaalsContact OG-O 3.08Å; G24-Y85 WeakPolarHBondContact CA-O 3.45Å; F82-Y85 WeakPolarHBondContact O-CB 3.36Å; F82-Y85 PolarHBondContact O-N 2.84Å; F82-Y85 VanDerWaalsContact O-N 3.08Å; R83-Y85 VanDerWaalsContact C-N 3.3Å; Y85-A89 HydrophobicContact CD1-CB 4.08Å; Y85-A89 HydrophobicContact CE1-CB 3.53Å; Y85-S90 WeakPolarHBondContact CE1-O 3.32Å; Y85-S90 PolarHBondContact OH-O 3.48Å; Y85-L135 HydrophobicContact CD2-CD1 3.96Å; Y85-L135 HydrophobicContact CE2-CB 4.39Å; Y85-L135 HydrophobicContact CE2-CD1 3.7Å; Y85-F136 HydrophobicContact CD2-CD1 4.41Å; Y85-F136 AromaticContact CD2-CE1 3.56Å; Y85-F136 HydrophobicContact CD2-CE1 3.56Å; Y85-F136 AromaticContact CD2-CZ 3.93Å; Y85-F136 HydrophobicContact CD2-CZ 3.93Å; Y85-F136 HydrophobicContact CE2-CE1 4.03Å; Y85-F136 HydrophobicContact CE2-CZ 4.16Å |
| 86 | P | 88.3 | Confident | 92 | Very high | 60 Ų | 60 | 56.4 Ų | 56.4 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 137.1 | -178.8 | -21.3 | 32.6 | 0 | 0 | 0 | 112.6 | R84 G88 A89 L135 | R84-P86 WeakPolarHBondContact O-CD 3.47Å; P86-G88 PolarHBondContact O-N 2.75Å; P86-A89 HydrophobicContact CB-CB 4.32Å; P86-A89 WeakPolarHBondContact O-CB 3.47Å; P86-A89 PolarHBondContact O-N 2.85Å; P86-L135 HydrophobicContact CG-CD1 3.82Å |
| 87 | A | 82.8 | Confident | 92 | Very high | 85 Ų | 85 | 56.5 Ų | 56.5 | 70% | 0.702 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 128.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S22 | S22-A87 PolarHBondContact OG-N 2.88Š|
| 88 | G | 81.5 | Confident | 91.9 | Very high | 88 Ų | 88 | 63.3 Ų | 63.3 | 91% | 0.907 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -1.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | P86 | P86-G88 PolarHBondContact O-N 2.75Š|
| 89 | A | 87.3 | Confident | 91.8 | Very high | 40 Ų | 40 | 64.6 Ų | 64.6 | 33% | 0.331 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 151.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y85 P86 L135 | Y85-A89 HydrophobicContact CD1-CB 4.08Å; Y85-A89 HydrophobicContact CE1-CB 3.53Å; P86-A89 HydrophobicContact CB-CB 4.32Å; P86-A89 WeakPolarHBondContact O-CB 3.47Å; P86-A89 PolarHBondContact O-N 2.85Å; A89-L135 HydrophobicContact CB-CD1 4.21Å |
| 90 | S | 90.3 | Very high | 91.7 | Very high | 83 Ų | 83 | 69.7 Ų | 69.7 | 58% | 0.58 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 144.2 | 175.9 | 53 | 0 | 0 | 0 | 0 | 110.8 | Y85 | Y85-S90 WeakPolarHBondContact CE1-O 3.32Å; Y85-S90 PolarHBondContact OH-O 3.48Å |
| 91 | A | 90.3 | Very high | 91.6 | Very high | 85 Ų | 85 | 69.4 Ų | 69.4 | 70% | 0.702 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -58 | 133.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 92 | P | 94.1 | Very high | 91.5 | Very high | 15 Ų | 15 | 76 Ų | 76 | 10% | 0.097 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 150.6 | 177.9 | 31.1 | -35.1 | 0 | 0 | 0 | 110.3 | I28 F82 V131 | I28-P92 HydrophobicContact CG2-CG 4.39Å; F82-P92 HydrophobicContact CE1-CG 4.11Å; P92-V131 HydrophobicContact CB-CG1 3.63Å; P92-V131 HydrophobicContact CG-CG1 4.08Å |
| 93 | H | 95.6 | Very high | 91.3 | Very high | 143 Ų | 143 | 78 Ų | 78 | 66% | 0.662 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 127.7 | 171.9 | -63.5 | -64.1 | 0 | 0 | 0 | 109 | V131 S132 | H93-V131 CarbonylContact O-C 3.54Å; H93-V131 WeakPolarHBondContact O-CA 3.4Å; H93-V131 WeakPolarHBondContact O-CG1 3.1Å; H93-S132 PolarHBondContact N-O 2.84Å; H93-S132 PolarHBondContact O-N 2.99Å |
| 94 | C | 96.7 | Very high | 91.3 | Very high | 8 Ų | 8 | 70.8 Ų | 70.8 | 5% | 0.054 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.3 | 177.6 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | I28 E29 C30 W31 S130 V131 | I28-C94 HydrophobicContact CG2-CB 3.73Å; E29-C94 WeakPolarHBondContact O-CB 3.26Å; C30-C94 WeakPolarHBondContact CA-O 3.36Å; C30-C94 HydrophobicContact CB-CB 3.73Å; C30-C94 WeakPolarHBondContact CB-SG 3.44Å; C30-C94 WeakPolarHBondContact SG-CB 3.41Å; C30-C94 CovalentContact SG-SG 2.03Å; C30-C94 PolarHBondContact SG-SG 3.47Å; W31-C94 PolarHBondContact N-O 3.43Å; C94-S130 WeakPolarHBondContact CA-O 3.47Å; C94-V131 HydrophobicContact CB-CG2 4.27Å |
| 95 | E | 96.3 | Very high | 91.3 | Very high | 93 Ų | 93 | 67.2 Ų | 67.2 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139 | 173.9 | -169.2 | 174.2 | 103.6 | 0 | 0 | 109.6 | W31 V33 V129 S130 | W31-E95 WeakPolarHBondContact O-CA 3.42Å; V33-E95 HydrophobicContact CB-CG 4.43Å; V33-E95 HydrophobicContact CG2-CG 3.57Å; E95-V129 WeakPolarHBondContact O-CA 3.41Å; E95-S130 PolarHBondContact N-O 2.83Å; E95-S130 PolarHBondContact O-N 3.02Å |
| 96 | M | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.5 | 177.7 | -62.9 | -178.8 | 64.4 | 0 | 0 | 109.5 | C30 W31 F32 V33 A46 L48 F69 L127 L128 V129 | C30-M96 HydrophobicContact CB-CG 3.74Å; C30-M96 HydrophobicContact CB-SD 3.61Å; W31-M96 PolarHBondContact O-N 3.25Å; F32-M96 CarbonylContact C-O 3.59Å; F32-M96 WeakPolarHBondContact CA-O 3.22Å; F32-M96 HydrophobicContact CB-CB 4.49Å; F32-M96 HydrophobicContact CD2-CB 3.93Å; V33-M96 PolarHBondContact N-O 2.83Å; A46-M96 HydrophobicContact CB-SD 3.92Å; L48-M96 HydrophobicContact CD1-SD 4.41Å; L48-M96 HydrophobicContact CD2-CE 4.04Å; L48-M96 HydrophobicContact CD2-SD 4.2Å; L48-M96 HydrophobicContact CG-SD 4.1Å; F69-M96 HydrophobicContact CD2-CE 3.58Å; F69-M96 HydrophobicContact CD2-SD 4.45Å; F69-M96 HydrophobicContact CE2-CE 3.44Å; F69-M96 VanDerWaalsContact CE2-CE 3.44Å; F69-M96 HydrophobicContact CE2-SD 4.49Å; F69-M96 HydrophobicContact CZ-CE 4.35Å; M96-L127 HydrophobicContact CE-CD1 4.09Å; M96-L128 CarbonylContact C-O 3.49Å; M96-L128 VanDerWaalsContact CA-O 3.29Å; M96-L128 WeakPolarHBondContact CA-O 3.38Å; M96-V129 HydrophobicContact CE-CG2 4.09Å; M96-V129 HydrophobicContact CG-CG1 4.49Å; M96-V129 HydrophobicContact CG-CG2 4.09Å |
| 97 | S | 95.1 | Very high | 91.5 | Very high | 28 Ų | 28 | 73 Ų | 73 | 20% | 0.196 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 164.6 | 175.6 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | L127 L128 | S97-L127 CarbonylContact O-C 3.57Å; S97-L127 WeakPolarHBondContact O-CA 3.43Å; S97-L128 PolarHBondContact N-O 2.84Å; S97-L128 PolarHBondContact O-N 2.8Å |
| 98 | R | 94.4 | Very high | 91.9 | Very high | 163 Ų | 163 | 70.3 Ų | 70.3 | 62% | 0.615 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 133.2 | 170.9 | -69.8 | -161.5 | 177.6 | 93.5 | 19.8 | 109.8 | F32 E34 | F32-R98 HydrophobicContact CE2-CG 4.47Å; F32-R98 HydrophobicContact CZ-CG 4.07Å; E34-R98 IonicContact OE1-CZ 3.34Å; E34-R98 IonicContact OE1-NH1 2.78Å; E34-R98 PolarHBondContact OE1-NH1 2.91Å; E34-R98 IonicContact OE1-NH2 2.95Å; E34-R98 PolarHBondContact OE1-NH2 2.99Å |
| 99 | F | 94.3 | Very high | 92.4 | Very high | 28 Ų | 28 | 66.1 Ų | 66.1 | 12% | 0.123 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 144 | 172.1 | -177.2 | -100.8 | 0 | 0 | 0 | 109.5 | P101 W126 L128 L141 L281 Q282 | F99-P101 HydrophobicContact CD1-CG 4.3Å; F99-P101 HydrophobicContact CE1-CB 4.35Å; F99-P101 HydrophobicContact CE1-CG 4.19Å; F99-W126 HydrophobicContact CB-CB 3.9Å; F99-W126 HydrophobicContact CD1-CB 3.96Å; F99-W126 HydrophobicContact CD1-CG 4.39Å; F99-W126 HydrophobicContact CG-CB 4.45Å; F99-W126 PolarHBondContact N-O 2.81Å; F99-W126 WeakPolarHBondContact O-CB 3.17Å; F99-L128 HydrophobicContact CB-CB 4.1Å; F99-L128 HydrophobicContact CD2-CB 4.46Å; F99-L141 HydrophobicContact CB-CD2 4.19Å; F99-L141 HydrophobicContact CD1-CD1 4.34Å; F99-L141 HydrophobicContact CD1-CD2 3.89Å; F99-L141 HydrophobicContact CD2-CD2 3.71Å; F99-L141 HydrophobicContact CE1-CD1 3.92Å; F99-L141 HydrophobicContact CE1-CD2 4.18Å; F99-L141 HydrophobicContact CE2-CD2 4.01Å; F99-L141 HydrophobicContact CG-CD2 3.64Å; F99-L141 HydrophobicContact CZ-CD1 4.04Å; F99-L141 HydrophobicContact CZ-CD2 4.24Å; F99-L281 HydrophobicContact CE1-CD2 3.91Å; F99-Q282 HydrophobicContact CE2-CG 4.23Å; F99-Q282 HydrophobicContact CZ-CG 4.38Å |
| 100 | I | 93.3 | Very high | 92.5 | Very high | 136 Ų | 136 | 71.7 Ų | 71.7 | 70% | 0.697 | 37% | 0.372 | S | S | * | . | trans | -121.7 | 114 | 174.1 | -60.2 | 174.9 | 0 | 0 | 0 | 106.4 | F102 | I100-F102 PolarHBondContact O-N 3.38Š| ||
| 101 | P | 92.4 | Very high | 92.4 | Very high | 30 Ų | 30 | 70 Ų | 70 | 20% | 0.195 | 36% | 0.361 | C | S | . | . | trans | -56.5 | 123.7 | 175.4 | -24.1 | 33.4 | 0 | 0 | 0 | 110.7 | F99 L122 W126 Y280 L281 | F99-P101 HydrophobicContact CD1-CG 4.3Å; F99-P101 HydrophobicContact CE1-CB 4.35Å; F99-P101 HydrophobicContact CE1-CG 4.19Å; P101-L122 HydrophobicContact CB-CB 4.42Å; P101-L122 HydrophobicContact CB-CD1 4.17Å; P101-L122 HydrophobicContact CG-CB 4.43Å; P101-W126 HydrophobicContact CG-CD2 4.04Å; P101-W126 HydrophobicContact CG-CG 3.91Å; P101-Y280 CarbonylContact C-O 3.54Å; P101-Y280 WeakPolarHBondContact CA-O 3.36Å; P101-L281 HydrophobicContact CB-CD2 4.31Å; P101-L281 HydrophobicContact CG-CD2 4.43Å | ||
| 102 | F | 90.7 | Very high | 92.3 | Very high | 144 Ų | 144 | 66.5 Ų | 66.5 | 63% | 0.632 | 33% | 0.33 | S | S | * | . | trans | -151.1 | 142.4 | -175.7 | -170.4 | -98.4 | 0 | 0 | 0 | 110.2 | I100 Y280 | I100-F102 PolarHBondContact O-N 3.38Å; F102-Y280 PolarHBondContact N-O 3.06Å; F102-Y280 CarbonylContact O-C 3.56Å; F102-Y280 WeakPolarHBondContact O-CA 3.32Å | ||
| 103 | P | 90.7 | Very high | 91.9 | Very high | 44 Ų | 44 | 66.7 Ų | 66.7 | 29% | 0.286 | 33% | 0.332 | S | S | . | . | trans | -57.6 | 145.1 | 177.4 | -24.6 | 34.4 | 0 | 0 | 0 | 112.6 | S105 Y280 | P103-S105 PolarHBondContact O-N 3.24Å; P103-Y280 HydrophobicContact CG-CD1 3.82Å; P103-Y280 HydrophobicContact CG-CE1 3.6Å | ||
| 104 | A | 90.8 | Very high | 91.3 | Very high | 19 Ų | 19 | 65 Ų | 65 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | trans | -55.3 | 128.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A106 A109 | A104-A106 PolarHBondContact O-N 2.97Å; A104-A109 HydrophobicContact CB-CB 3.51Å | ||
| 105 | S | 88.9 | Confident | 90.5 | Very high | 111 Ų | 111 | 71 Ų | 71 | 78% | 0.776 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -67.6 | -24.1 | -178.3 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | P103 | P103-S105 PolarHBondContact O-N 3.24Š|
| 106 | A | 89.4 | Confident | 89.7 | Confident | 21 Ų | 21 | 75.9 Ų | 75.9 | 17% | 0.174 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -70.3 | 131.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A104 W108 A109 | A104-A106 PolarHBondContact O-N 2.97Å; A106-W108 VanDerWaalsContact C-N 3.26Å; A106-W108 HydrophobicContact CB-CG 4.45Å; A106-W108 HydrophobicContact CB-CZ2 4.39Å; A106-W108 PolarHBondContact O-N 3.43Å; A106-A109 HydrophobicContact CB-CB 4.41Å; A106-A109 PolarHBondContact O-N 2.92Å; A106-A109 VanDerWaalsContact O-N 3.1Å |
| 107 | K | 90.9 | Very high | 89.1 | Confident | 168 Ų | 168 | 81.7 Ų | 81.7 | 73% | 0.73 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -60 | -33.3 | -176.3 | -62.2 | -168.6 | 178.8 | 178.1 | 0 | 114 | A109 R110 | K107-A109 VanDerWaalsContact C-N 3.29Å; K107-A109 PolarHBondContact O-N 3.37Å; K107-R110 WeakPolarHBondContact O-CG 3.4Å |
| 108 | W | 92.1 | Very high | 88.5 | Confident | 29 Ų | 29 | 85.1 Ų | 85.1 | 11% | 0.11 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -72.6 | -22.6 | -179.2 | 63.3 | -99.5 | 0 | 0 | 0 | 112.9 | A106 E208 A222 T224 M231 P232 H277 | A106-W108 VanDerWaalsContact C-N 3.26Å; A106-W108 HydrophobicContact CB-CG 4.45Å; A106-W108 HydrophobicContact CB-CZ2 4.39Å; A106-W108 PolarHBondContact O-N 3.43Å; W108-E208 HydrophobicContact CH2-CB 4.15Å; W108-E208 HydrophobicContact CZ2-CB 3.84Å; W108-E208 HydrophobicContact CZ2-CG 3.98Å; W108-A222 HydrophobicContact CD2-CB 3.94Å; W108-A222 HydrophobicContact CE3-CB 4.28Å; W108-A222 HydrophobicContact CG-CB 4.45Å; W108-A222 HydrophobicContact CH2-CB 4.29Å; W108-A222 HydrophobicContact CZ2-CB 3.95Å; W108-A222 HydrophobicContact CZ3-CB 4.44Å; W108-T224 HydrophobicContact CE3-CG2 3.83Å; W108-T224 HydrophobicContact CZ3-CG2 3.66Å; W108-M231 HydrophobicContact CE3-SD 4.01Å; W108-P232 HydrophobicContact CB-CG 4.12Å; W108-P232 HydrophobicContact CG-CG 3.97Å; W108-H277 AromaticContact CH2-CD2 3.71Å |
| 109 | A | 91.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 79.3 Ų | 79.3 | 1% | 0.008 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -90.7 | -2.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | A104 A106 K107 S111 L112 | A104-A109 HydrophobicContact CB-CB 3.51Å; A106-A109 HydrophobicContact CB-CB 4.41Å; A106-A109 PolarHBondContact O-N 2.92Å; A106-A109 VanDerWaalsContact O-N 3.1Å; K107-A109 VanDerWaalsContact C-N 3.29Å; K107-A109 PolarHBondContact O-N 3.37Å; A109-S111 PolarHBondContact O-N 2.85Å; A109-S111 VanDerWaalsContact O-N 3.17Å; A109-L112 HydrophobicContact CB-CD1 4.17Å; A109-L112 VanDerWaalsContact O-CB 3.32Å; A109-L112 WeakPolarHBondContact O-CB 3.47Å; A109-L112 PolarHBondContact O-N 3.01Å |
| 110 | R | 88.9 | Confident | 87.6 | Confident | 156 Ų | 156 | 88.3 Ų | 88.3 | 59% | 0.589 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -58.8 | -30.4 | -177.6 | -70.3 | 179.9 | -170.5 | -153.8 | -0 | 113.6 | K107 L112 S113 | K107-R110 WeakPolarHBondContact O-CG 3.4Å; R110-L112 PolarHBondContact O-N 3.38Å; R110-S113 CarbonylContact O-C 3.38Å; R110-S113 PolarHBondContact O-N 2.81Å; R110-S113 VanDerWaalsContact O-N 3.1Å |
| 111 | S | 87.9 | Confident | 87.1 | Confident | 48 Ų | 48 | 83.2 Ų | 83.2 | 34% | 0.336 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -67 | -15.7 | 178.9 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | A109 S113 L227 | A109-S111 PolarHBondContact O-N 2.85Å; A109-S111 VanDerWaalsContact O-N 3.17Å; S111-S113 PolarHBondContact O-N 2.78Å; S111-L227 WeakPolarHBondContact O-CD1 3.45Å |
| 112 | L | 87.8 | Confident | 86.8 | Confident | 11 Ų | 11 | 83.3 Ų | 83.3 | 6% | 0.058 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -72.8 | -16.8 | 173 | -62.5 | 169 | 0 | 0 | 0 | 112.5 | A109 R110 P204 T224 L227 H277 P279 | A109-L112 HydrophobicContact CB-CD1 4.17Å; A109-L112 VanDerWaalsContact O-CB 3.32Å; A109-L112 WeakPolarHBondContact O-CB 3.47Å; A109-L112 PolarHBondContact O-N 3.01Å; R110-L112 PolarHBondContact O-N 3.38Å; L112-P204 HydrophobicContact CD2-CB 4.19Å; L112-T224 HydrophobicContact CD1-CG2 4.43Å; L112-T224 HydrophobicContact CD2-CG2 4.45Å; L112-T224 HydrophobicContact CG-CG2 4.39Å; L112-L227 HydrophobicContact CD2-CD1 3.74Å; L112-L227 HydrophobicContact CG-CD1 4.39Å; L112-H277 HydrophobicContact CD1-CB 3.69Å; L112-P279 WeakPolarHBondContact O-CB 3.4Å; L112-P279 WeakPolarHBondContact O-CG 3.38Å |
| 113 | S | 87.2 | Confident | 86.6 | Confident | 19 Ų | 19 | 81.6 Ų | 81.6 | 13% | 0.133 | 43% | 0.428 | C | S | . | . | trans | -137.3 | 72.4 | 178.8 | -52.9 | 0 | 0 | 0 | 0 | 108.8 | R110 S111 E115 | R110-S113 CarbonylContact O-C 3.38Å; R110-S113 PolarHBondContact O-N 2.81Å; R110-S113 VanDerWaalsContact O-N 3.1Å; S111-S113 PolarHBondContact O-N 2.78Å; S113-E115 VanDerWaalsContact C-N 3.28Å; S113-E115 PolarHBondContact O-N 2.97Å | ||
| 114 | P | 82.1 | Confident | 86.5 | Confident | 108 Ų | 108 | 82.3 Ų | 82.3 | 70% | 0.701 | 44% | 0.443 | S | S | * | . | trans | -70.9 | -27.1 | -176.8 | 29.6 | -34.6 | 0 | 0 | 0 | 112.3 | ||||
| 115 | E | 79.9 | Confident | 86.6 | Confident | 133 Ų | 133 | 86.9 Ų | 86.9 | 62% | 0.621 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -70.6 | 139.7 | 178.2 | -61.3 | -166 | 174.3 | 0 | 0 | 111.4 | S113 N117 Y280 | S113-E115 VanDerWaalsContact C-N 3.28Å; S113-E115 PolarHBondContact O-N 2.97Å; E115-N117 PolarHBondContact O-N 2.77Å; E115-Y280 PolarHBondContact O-OH 2.86Å |
| 116 | Q | 78.7 | Confident | 86.8 | Confident | 196 Ų | 196 | 82 Ų | 82 | 92% | 0.916 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -84.9 | 2.5 | 178.9 | -63.1 | -171.8 | 10.9 | 0 | 0 | 113.3 | ||
| 117 | N | 83.8 | Confident | 87.1 | Confident | 123 Ų | 123 | 81.5 Ų | 81.5 | 66% | 0.658 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -117.5 | 151.9 | -177.2 | -63.8 | -19.7 | 0 | 0 | 0 | 110.4 | E115 Y280 | E115-N117 PolarHBondContact O-N 2.77Å; N117-Y280 PolarHBondContact O-OH 2.87Å |
| 118 | C | 83.3 | Confident | 87.4 | Confident | 100 Ų | 100 | 75.3 Ų | 75.3 | 68% | 0.676 | 40% | 0.399 | S | S | * | . | trans | -76.1 | 129.5 | 173.4 | -63 | 0 | 0 | 0 | 0 | 110.5 | R120 | C118-R120 PolarHBondContact O-N 2.82Š| ||
| 119 | P | 84.9 | Confident | 87.7 | Confident | 41 Ų | 41 | 74 Ų | 74 | 27% | 0.266 | 39% | 0.394 | S | S | . | . | trans | -62.7 | 129 | 175.4 | -22.4 | 31.2 | 0 | 0 | 0 | 111.6 | A121 L122 Y280 | P119-A121 PolarHBondContact O-N 2.94Å; P119-L122 HydrophobicContact CB-CD1 4.34Å; P119-L122 HydrophobicContact CB-CG 4.34Å; P119-L122 HydrophobicContact CG-CD1 4.19Å; P119-L122 WeakPolarHBondContact O-CB 3.15Å; P119-L122 PolarHBondContact O-N 2.81Å; P119-Y280 VanDerWaalsContact CD-CZ 3.4Å; P119-Y280 HydrophobicContact CG-CD2 3.84Å; P119-Y280 HydrophobicContact CG-CE2 3.53Å | ||
| 120 | R | 84.7 | Confident | 88 | Confident | 217 Ų | 217 | 76 Ų | 76 | 82% | 0.819 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -62.6 | -21.1 | 176.3 | -66.7 | -172 | -176.6 | 173.7 | 1 | 113.5 | C118 L122 D123 | C118-R120 PolarHBondContact O-N 2.82Å; R120-L122 PolarHBondContact O-N 2.77Å; R120-L122 VanDerWaalsContact O-N 3.15Å; R120-D123 WeakPolarHBondContact O-CB 3.37Å; R120-D123 VanDerWaalsContact O-CG 3.22Å; R120-D123 PolarHBondContact O-N 3.41Å; R120-D123 VanDerWaalsContact O-N 3.11Å |
| 121 | A | 82.6 | Confident | 88.3 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 24% | 0.24 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -61.6 | -19.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | P119 R143 E193 | P119-A121 PolarHBondContact O-N 2.94Å; A121-R143 PolarHBondContact O-NH1 2.64Å; A121-E193 HydrophobicContact CB-CG 4.23Å |
| 122 | L | 85.9 | Confident | 88.7 | Confident | 31 Ų | 31 | 68.9 Ų | 68.9 | 16% | 0.162 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -94.9 | 4.6 | 179 | -56.9 | 176.5 | 0 | 0 | 0 | 113.5 | P101 P119 R120 W126 Y280 L281 | P101-L122 HydrophobicContact CB-CB 4.42Å; P101-L122 HydrophobicContact CB-CD1 4.17Å; P101-L122 HydrophobicContact CG-CB 4.43Å; P119-L122 HydrophobicContact CB-CD1 4.34Å; P119-L122 HydrophobicContact CB-CG 4.34Å; P119-L122 HydrophobicContact CG-CD1 4.19Å; P119-L122 WeakPolarHBondContact O-CB 3.15Å; P119-L122 PolarHBondContact O-N 2.81Å; R120-L122 PolarHBondContact O-N 2.77Å; R120-L122 VanDerWaalsContact O-N 3.15Å; L122-W126 HydrophobicContact CB-CZ2 4.3Å; L122-W126 HydrophobicContact CD2-CH2 3.95Å; L122-W126 HydrophobicContact CD2-CZ2 3.67Å; L122-W126 PolarHBondContact O-NE1 2.87Å; L122-Y280 VanDerWaalsContact CD1-CB 3.43Å; L122-Y280 HydrophobicContact CD1-CD2 3.9Å; L122-Y280 HydrophobicContact CD1-CG 3.71Å; L122-L281 HydrophobicContact CD2-CD2 4.28Å |
| 123 | D | 87.1 | Confident | 89 | Confident | 109 Ų | 109 | 69.4 Ų | 69.4 | 58% | 0.583 | 39% | 0.386 | S | S | * | . | trans | -62.4 | 147.9 | 176.5 | -69.5 | -18 | 0 | 0 | 0 | 111.3 | R120 | R120-D123 WeakPolarHBondContact O-CB 3.37Å; R120-D123 VanDerWaalsContact O-CG 3.22Å; R120-D123 PolarHBondContact O-N 3.41Å; R120-D123 VanDerWaalsContact O-N 3.11Å | ||
| 124 | G | 88 | Confident | 89.2 | Confident | 58 Ų | 58 | 74 Ų | 74 | 60% | 0.598 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 109.9 | 179.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | W126 | G124-W126 VanDerWaalsContact O-CD1 3.27Š|
| 125 | D | 91.7 | Very high | 89.7 | Confident | 116 Ų | 116 | 72.1 Ų | 72.1 | 62% | 0.62 | 40% | 0.398 | S | S | * | . | trans | -77.9 | 143.7 | 178.2 | -70.7 | -35.1 | 0 | 0 | 0 | 110.7 | P144 | D125-P144 HydrophobicContact CB-CG 4.03Å; D125-P144 WeakPolarHBondContact O-CD 3.34Å | ||
| 126 | W | 94.6 | Very high | 90.4 | Very high | 9 Ų | 9 | 66.3 Ų | 66.3 | 3% | 0.034 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 144.2 | 175.8 | -67 | 76.6 | 0 | 0 | 0 | 110.9 | F99 P101 L122 G124 L141 V161 L281 | F99-W126 HydrophobicContact CB-CB 3.9Å; F99-W126 HydrophobicContact CD1-CB 3.96Å; F99-W126 HydrophobicContact CD1-CG 4.39Å; F99-W126 HydrophobicContact CG-CB 4.45Å; F99-W126 PolarHBondContact N-O 2.81Å; F99-W126 WeakPolarHBondContact O-CB 3.17Å; P101-W126 HydrophobicContact CG-CD2 4.04Å; P101-W126 HydrophobicContact CG-CG 3.91Å; L122-W126 HydrophobicContact CB-CZ2 4.3Å; L122-W126 HydrophobicContact CD2-CH2 3.95Å; L122-W126 HydrophobicContact CD2-CZ2 3.67Å; L122-W126 PolarHBondContact O-NE1 2.87Å; G124-W126 VanDerWaalsContact O-CD1 3.27Å; W126-L141 HydrophobicContact CE3-CB 4.37Å; W126-L141 HydrophobicContact CZ3-CB 4.46Å; W126-V161 HydrophobicContact CH2-CB 4.25Å; W126-V161 HydrophobicContact CH2-CG1 3.97Å; W126-V161 HydrophobicContact CH2-CG2 3.93Å; W126-V161 HydrophobicContact CZ3-CB 3.81Å; W126-V161 HydrophobicContact CZ3-CG1 3.91Å; W126-V161 HydrophobicContact CZ3-CG2 3.71Å; W126-L281 HydrophobicContact CE3-CD2 4.29Å; W126-L281 HydrophobicContact CH2-CD1 4.26Å; W126-L281 HydrophobicContact CH2-CD2 3.98Å; W126-L281 HydrophobicContact CZ2-CD2 4.49Å; W126-L281 HydrophobicContact CZ3-CD1 4.33Å; W126-L281 HydrophobicContact CZ3-CD2 3.85Å |
| 127 | L | 95.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 133.7 | 177.9 | -64.6 | 172.6 | 0 | 0 | 0 | 109.8 | F32 F69 M96 S97 L141 L142 P144 | F32-L127 HydrophobicContact CE2-CD2 3.79Å; F69-L127 HydrophobicContact CD1-CD1 4.36Å; F69-L127 HydrophobicContact CE1-CD1 3.64Å; F69-L127 HydrophobicContact CE2-CD1 3.98Å; F69-L127 HydrophobicContact CZ-CD1 3.4Å; M96-L127 HydrophobicContact CE-CD1 4.09Å; S97-L127 CarbonylContact O-C 3.57Å; S97-L127 WeakPolarHBondContact O-CA 3.43Å; L127-L141 CarbonylContact O-C 3.59Å; L127-L141 WeakPolarHBondContact O-CA 3.46Å; L127-L142 HydrophobicContact CB-CB 4.28Å; L127-L142 PolarHBondContact N-O 2.85Å; L127-L142 PolarHBondContact O-N 2.78Å; L127-P144 HydrophobicContact CD1-CB 4.29Å; L127-P144 HydrophobicContact CD1-CG 3.94Å; L127-P144 HydrophobicContact CG-CG 4.15Å |
| 128 | L | 97.1 | Very high | 91.9 | Very high | 38 Ų | 38 | 51.6 Ų | 51.6 | 20% | 0.199 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.3 | 166.7 | 175 | 66.4 | 0 | 0 | 0 | 108.2 | M96 S97 F99 S139 L141 | M96-L128 CarbonylContact C-O 3.49Å; M96-L128 VanDerWaalsContact CA-O 3.29Å; M96-L128 WeakPolarHBondContact CA-O 3.38Å; S97-L128 PolarHBondContact N-O 2.84Å; S97-L128 PolarHBondContact O-N 2.8Å; F99-L128 HydrophobicContact CB-CB 4.1Å; F99-L128 HydrophobicContact CD2-CB 4.46Å; L128-S139 WeakPolarHBondContact CD1-OG 3.37Å; L128-L141 HydrophobicContact CB-CD2 4.19Å; L128-L141 HydrophobicContact CD1-CD2 3.67Å |
| 129 | V | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.6 | 173.3 | 179.8 | 0 | 0 | 0 | 0 | 108 | L48 E95 M96 V131 S139 S140 L142 | L48-V129 HydrophobicContact CD1-CG1 3.57Å; L48-V129 HydrophobicContact CD1-CG2 4.15Å; E95-V129 WeakPolarHBondContact O-CA 3.41Å; M96-V129 HydrophobicContact CE-CG2 4.09Å; M96-V129 HydrophobicContact CG-CG1 4.49Å; M96-V129 HydrophobicContact CG-CG2 4.09Å; V129-V131 HydrophobicContact CG1-CG2 3.92Å; V129-S139 CarbonylContact O-C 3.6Å; V129-S139 VanDerWaalsContact O-CA 3.3Å; V129-S139 WeakPolarHBondContact O-CA 3.42Å; V129-S140 PolarHBondContact N-O 2.83Å; V129-S140 PolarHBondContact O-N 2.81Å; V129-L142 HydrophobicContact CB-CD1 4.19Å; V129-L142 HydrophobicContact CG2-CD1 3.64Å; V129-L142 HydrophobicContact CG2-CD2 4.01Å; V129-L142 HydrophobicContact CG2-CG 4.35Å |
| 130 | S | 97.3 | Very high | 93.2 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.8 | 173.7 | -59.1 | 0 | 0 | 0 | 0 | 109.2 | C94 E95 | C94-S130 WeakPolarHBondContact CA-O 3.47Å; E95-S130 PolarHBondContact N-O 2.83Å; E95-S130 PolarHBondContact O-N 3.02Å |
| 131 | V | 96.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.1 | 178 | -170.9 | 0 | 0 | 0 | 0 | 109.8 | F82 P92 H93 C94 V129 F136 S137 L138 | F82-V131 HydrophobicContact CE1-CG1 4.38Å; F82-V131 HydrophobicContact CZ-CB 4.41Å; F82-V131 HydrophobicContact CZ-CG1 4.01Å; F82-V131 HydrophobicContact CZ-CG2 4.18Å; P92-V131 HydrophobicContact CB-CG1 3.63Å; P92-V131 HydrophobicContact CG-CG1 4.08Å; H93-V131 CarbonylContact O-C 3.54Å; H93-V131 WeakPolarHBondContact O-CA 3.4Å; H93-V131 WeakPolarHBondContact O-CG1 3.1Å; C94-V131 HydrophobicContact CB-CG2 4.27Å; V129-V131 HydrophobicContact CG1-CG2 3.92Å; V131-F136 HydrophobicContact CG1-CE2 4.16Å; V131-S137 CarbonylContact O-C 3.52Å; V131-S137 WeakPolarHBondContact O-CA 2.97Å; V131-L138 HydrophobicContact CB-CD2 3.73Å; V131-L138 HydrophobicContact CB-CG 3.78Å; V131-L138 HydrophobicContact CG1-CD2 4.37Å; V131-L138 HydrophobicContact CG2-CD1 4.27Å; V131-L138 HydrophobicContact CG2-CD2 4.04Å; V131-L138 HydrophobicContact CG2-CG 4.06Å; V131-L138 PolarHBondContact N-O 2.01Å; V131-L138 PolarHBondContact O-N 2.91Å |
| 132 | S | 95.3 | Very high | 94.4 | Very high | 52 Ų | 52 | 33.4 Ų | 33.4 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.3 | 177.3 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | H93 | H93-S132 PolarHBondContact N-O 2.84Å; H93-S132 PolarHBondContact O-N 2.99Å |
| 133 | S | 93.8 | Very high | 94.8 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | trans | -150.8 | 178.4 | 177.1 | 71.2 | 0 | 0 | 0 | 0 | 109.8 | L135 F136 P169 | S133-L135 PolarHBondContact O-N 2.79Å; S133-L135 PolarHBondContact OG-N 2.68Å; S133-L135 VanDerWaalsContact OG-N 3.16Å; S133-F136 PolarHBondContact N-O 3.06Å; S133-F136 PolarHBondContact OG-N 2.84Å; S133-F136 PolarHBondContact OG-O 2.8Å; S133-P169 VanDerWaalsContact O-CG 3.24Å; S133-P169 WeakPolarHBondContact O-CG 3.28Å | ||
| 134 | T | 91.4 | Very high | 95.1 | Very high | 116 Ų | 116 | 30.1 Ų | 30.1 | 71% | 0.712 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -74.9 | -14.3 | 171 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 135 | L | 92.8 | Very high | 95 | Very high | 69 Ų | 69 | 32.1 Ų | 32.1 | 36% | 0.361 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -99.8 | -39.3 | -174.1 | -62 | 176.1 | 0 | 0 | 0 | 112.7 | Y85 P86 A89 S133 H167 | Y85-L135 HydrophobicContact CD2-CD1 3.96Å; Y85-L135 HydrophobicContact CE2-CB 4.39Å; Y85-L135 HydrophobicContact CE2-CD1 3.7Å; P86-L135 HydrophobicContact CG-CD1 3.82Å; A89-L135 HydrophobicContact CB-CD1 4.21Å; S133-L135 PolarHBondContact O-N 2.79Å; S133-L135 PolarHBondContact OG-N 2.68Å; S133-L135 VanDerWaalsContact OG-N 3.16Å; L135-H167 CarbonylContact O-C 3.52Å |
| 136 | F | 95.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 33 Ų | 33 | 4% | 0.044 | 19% | 0.19 | C | C | . | . | trans | -152.6 | 163.4 | 173.4 | 59.9 | -112.9 | 0 | 0 | 0 | 111.1 | A81 F82 Y85 V131 S133 L138 L165 T166 | A81-F136 HydrophobicContact CB-CD1 4.43Å; A81-F136 HydrophobicContact CB-CE1 4.12Å; A81-F136 HydrophobicContact CB-CZ 4.37Å; A81-F136 WeakPolarHBondContact O-CE1 3.02Å; F82-F136 AromaticContact CD1-CZ 3.82Å; F82-F136 HydrophobicContact CD1-CZ 3.82Å; F82-F136 HydrophobicContact CE1-CE2 4.03Å; F82-F136 AromaticContact CE1-CZ 3.48Å; F82-F136 HydrophobicContact CE1-CZ 3.48Å; F82-F136 VanDerWaalsContact CE1-CZ 3.48Å; F82-F136 HydrophobicContact CE2-CZ 4.47Å; F82-F136 HydrophobicContact CG-CZ 4.44Å; F82-F136 AromaticContact CZ-CE2 3.99Å; F82-F136 HydrophobicContact CZ-CE2 3.99Å; F82-F136 AromaticContact CZ-CZ 3.81Å; F82-F136 HydrophobicContact CZ-CZ 3.81Å; Y85-F136 HydrophobicContact CD2-CD1 4.41Å; Y85-F136 AromaticContact CD2-CE1 3.56Å; Y85-F136 HydrophobicContact CD2-CE1 3.56Å; Y85-F136 AromaticContact CD2-CZ 3.93Å; Y85-F136 HydrophobicContact CD2-CZ 3.93Å; Y85-F136 HydrophobicContact CE2-CE1 4.03Å; Y85-F136 HydrophobicContact CE2-CZ 4.16Å; V131-F136 HydrophobicContact CG1-CE2 4.16Å; S133-F136 PolarHBondContact N-O 3.06Å; S133-F136 PolarHBondContact OG-N 2.84Å; S133-F136 PolarHBondContact OG-O 2.8Å; F136-L138 HydrophobicContact CD2-CD2 3.81Å; F136-L138 HydrophobicContact CE2-CD2 3.39Å; F136-L138 HydrophobicContact CZ-CD2 4.21Å; F136-L165 HydrophobicContact CB-CD1 3.92Å; F136-L165 HydrophobicContact CD2-CD1 4.24Å; F136-L165 HydrophobicContact CG-CD1 4.13Å; F136-T166 WeakPolarHBondContact CA-O 3.22Å; F136-T166 WeakPolarHBondContact CB-O 3.48Å | ||
| 137 | S | 97 | Very high | 93.2 | Very high | 8 Ų | 8 | 40 Ų | 40 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.6 | 165.7 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | V131 T166 | V131-S137 CarbonylContact O-C 3.52Å; V131-S137 WeakPolarHBondContact O-CA 2.97Å; S137-T166 PolarHBondContact N-O 3.06Å; S137-T166 WeakPolarHBondContact O-CG2 3.34Å; S137-T166 PolarHBondContact O-N 3.08Å |
| 138 | L | 96.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 153 | -179.2 | 83.8 | 102.7 | 0 | 0 | 0 | 112.1 | L78 F82 V131 F136 S140 V164 L165 | L78-L138 HydrophobicContact CD1-CD1 3.31Å; L78-L138 HydrophobicContact CD1-CD2 4.04Å; L78-L138 HydrophobicContact CD1-CG 4.35Å; F82-L138 HydrophobicContact CE2-CD2 3.82Å; F82-L138 HydrophobicContact CZ-CD2 3.76Å; V131-L138 HydrophobicContact CB-CD2 3.73Å; V131-L138 HydrophobicContact CB-CG 3.78Å; V131-L138 HydrophobicContact CG1-CD2 4.37Å; V131-L138 HydrophobicContact CG2-CD1 4.27Å; V131-L138 HydrophobicContact CG2-CD2 4.04Å; V131-L138 HydrophobicContact CG2-CG 4.06Å; V131-L138 PolarHBondContact N-O 2.01Å; V131-L138 PolarHBondContact O-N 2.91Å; F136-L138 HydrophobicContact CD2-CD2 3.81Å; F136-L138 HydrophobicContact CE2-CD2 3.39Å; F136-L138 HydrophobicContact CZ-CD2 4.21Å; L138-S140 WeakPolarHBondContact CD1-OG 3.47Å; L138-V164 CarbonylContact C-O 3.46Å; L138-V164 WeakPolarHBondContact CA-O 3.5Å; L138-L165 HydrophobicContact CB-CD1 3.76Å |
| 139 | S | 98.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.1 | 172.1 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | L128 V129 T163 V164 Q284 | L128-S139 WeakPolarHBondContact CD1-OG 3.37Å; V129-S139 CarbonylContact O-C 3.6Å; V129-S139 VanDerWaalsContact O-CA 3.3Å; V129-S139 WeakPolarHBondContact O-CA 3.42Å; S139-T163 CarbonylContact O-C 3.59Å; S139-T163 WeakPolarHBondContact O-CA 3.36Å; S139-V164 PolarHBondContact N-O 2.91Å; S139-V164 PolarHBondContact O-N 3.06Å; S139-Q284 WeakPolarHBondContact CB-O 3.45Å; S139-Q284 PolarHBondContact OG-N 3.46Å; S139-Q284 PolarHBondContact OG-O 3.16Å |
| 140 | S | 97.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 139.9 | 179.8 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | V129 L138 L162 T163 | V129-S140 PolarHBondContact N-O 2.83Å; V129-S140 PolarHBondContact O-N 2.81Å; L138-S140 WeakPolarHBondContact CD1-OG 3.47Å; S140-L162 CarbonylContact C-O 3.58Å; S140-L162 WeakPolarHBondContact CA-O 3.25Å; S140-T163 WeakPolarHBondContact OG-CG2 3.35Å; S140-T163 PolarHBondContact OG-OG1 2.71Å |
| 141 | L | 97.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 121.6 | 171.2 | -62.2 | -179.2 | 0 | 0 | 0 | 108.9 | F99 W126 L127 L128 V161 L162 L281 | F99-L141 HydrophobicContact CB-CD2 4.19Å; F99-L141 HydrophobicContact CD1-CD1 4.34Å; F99-L141 HydrophobicContact CD1-CD2 3.89Å; F99-L141 HydrophobicContact CD2-CD2 3.71Å; F99-L141 HydrophobicContact CE1-CD1 3.92Å; F99-L141 HydrophobicContact CE1-CD2 4.18Å; F99-L141 HydrophobicContact CE2-CD2 4.01Å; F99-L141 HydrophobicContact CG-CD2 3.64Å; F99-L141 HydrophobicContact CZ-CD1 4.04Å; F99-L141 HydrophobicContact CZ-CD2 4.24Å; W126-L141 HydrophobicContact CE3-CB 4.37Å; W126-L141 HydrophobicContact CZ3-CB 4.46Å; L127-L141 CarbonylContact O-C 3.59Å; L127-L141 WeakPolarHBondContact O-CA 3.46Å; L128-L141 HydrophobicContact CB-CD2 4.19Å; L128-L141 HydrophobicContact CD1-CD2 3.67Å; L141-V161 PolarHBondContact O-N 3.03Å; L141-L162 HydrophobicContact CB-CB 4.25Å; L141-L162 HydrophobicContact CD1-CB 4.22Å; L141-L162 HydrophobicContact CD1-CD2 4Å; L141-L162 HydrophobicContact CG-CB 4.37Å; L141-L162 PolarHBondContact N-O 3.23Å; L141-L281 HydrophobicContact CD1-CB 3.9Å; L141-L281 HydrophobicContact CD1-CD2 4.03Å; L141-L281 HydrophobicContact CD1-CG 4.41Å |
| 142 | L | 95.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 141 | -178.5 | -78.3 | 69.1 | 0 | 0 | 0 | 109.5 | L48 L127 V129 P144 A158 T159 V160 | L48-L142 HydrophobicContact CD2-CD2 3.98Å; L127-L142 HydrophobicContact CB-CB 4.28Å; L127-L142 PolarHBondContact N-O 2.85Å; L127-L142 PolarHBondContact O-N 2.78Å; V129-L142 HydrophobicContact CB-CD1 4.19Å; V129-L142 HydrophobicContact CG2-CD1 3.64Å; V129-L142 HydrophobicContact CG2-CD2 4.01Å; V129-L142 HydrophobicContact CG2-CG 4.35Å; L142-P144 WeakPolarHBondContact O-CD 3.26Å; L142-A158 HydrophobicContact CB-CB 4.34Å; L142-A158 HydrophobicContact CD2-CB 4.01Å; L142-T159 CarbonylContact C-O 3.48Å; L142-T159 WeakPolarHBondContact CA-O 3.37Å; L142-V160 HydrophobicContact CD1-CG2 4.21Å; L142-V160 HydrophobicContact CG-CG2 4.02Å |
| 143 | R | 93.7 | Very high | 85 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 101.5 | 171.4 | -164.7 | 171.9 | 66.9 | -170.9 | -2.7 | 109.4 | A121 A158 T159 V161 S190 | A121-R143 PolarHBondContact O-NH1 2.64Å; R143-A158 WeakPolarHBondContact O-CA 3.32Å; R143-T159 PolarHBondContact N-O 3.45Å; R143-T159 PolarHBondContact O-N 2.92Å; R143-V161 HydrophobicContact CB-CG2 4.31Å; R143-S190 PolarHBondContact NH1-OG 3.22Å; R143-S190 PolarHBondContact NH2-OG 2.92Å |
| 144 | P | 92.2 | Very high | 84.5 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 13% | 0.13 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 145.5 | 172.9 | 28.3 | -36.3 | 0 | 0 | 0 | 111.2 | F69 D125 L127 L142 T156 M157 | F69-P144 HydrophobicContact CD1-CB 4.47Å; F69-P144 HydrophobicContact CE1-CB 3.96Å; D125-P144 HydrophobicContact CB-CG 4.03Å; D125-P144 WeakPolarHBondContact O-CD 3.34Å; L127-P144 HydrophobicContact CD1-CB 4.29Å; L127-P144 HydrophobicContact CD1-CG 3.94Å; L127-P144 HydrophobicContact CG-CG 4.15Å; L142-P144 WeakPolarHBondContact O-CD 3.26Å; P144-T156 HydrophobicContact CB-CG2 4.05Å; P144-M157 CarbonylContact C-O 3.57Å; P144-M157 WeakPolarHBondContact CA-O 3.47Å |
| 145 | Q | 85.9 | Confident | 84.3 | Confident | 100 Ų | 100 | 59.8 Ų | 59.8 | 47% | 0.467 | 31% | 0.306 | S | S | . | . | trans | -73.8 | 145.8 | 169.7 | -67.2 | -165 | 12.2 | 0 | 0 | 110.7 | E147 M157 | Q145-E147 VanDerWaalsContact C-N 3.28Å; Q145-E147 PolarHBondContact O-N 2.79Å; Q145-M157 HydrophobicContact CG-CB 4.05Å; Q145-M157 PolarHBondContact N-O 3.5Å | ||
| 146 | P | 76.4 | Confident | 84.2 | Confident | 133 Ų | 133 | 56.9 Ų | 56.9 | 86% | 0.864 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -62.1 | -33.2 | -174.7 | -22.5 | 32.6 | 0 | 0 | 0 | 113.9 | ||
| 147 | E | 73.7 | Confident | 83.9 | Confident | 156 Ų | 156 | 57.6 Ų | 57.6 | 73% | 0.729 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -114.3 | 129.1 | -178.7 | -69.8 | -178.6 | 173.5 | 0 | 0 | 110.3 | Q145 L149 | Q145-E147 VanDerWaalsContact C-N 3.28Å; Q145-E147 PolarHBondContact O-N 2.79Å; E147-L149 PolarHBondContact O-N 3.32Å |
| 148 | P | 72.1 | Confident | 83.8 | Confident | 43 Ų | 43 | 57.2 Ų | 57.2 | 28% | 0.279 | 29% | 0.292 | S | S | . | . | trans | -60 | 133.6 | 173.5 | -21.4 | 31.7 | 0 | 0 | 0 | 110.5 | R150 V154 I155 | P148-R150 PolarHBondContact O-N 3.15Å; P148-V154 HydrophobicContact CB-CG1 3.67Å; P148-V154 HydrophobicContact CG-CG1 4.34Å; P148-I155 CarbonylContact C-O 3.55Å | ||
| 149 | L | 69.6 | Low | 83.7 | Confident | 89 Ų | 89 | 58.5 Ų | 58.5 | 47% | 0.466 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 126.2 | 174.1 | -172.1 | 65.7 | 0 | 0 | 0 | 108.4 | E147 I155 M157 | E147-L149 PolarHBondContact O-N 3.32Å; L149-I155 PolarHBondContact N-O 2.86Å; L149-I155 PolarHBondContact O-N 2.81Å; L149-M157 HydrophobicContact CB-CG 4.39Å; L149-M157 HydrophobicContact CD2-CG 4.29Å |
| 150 | R | 62.3 | Low | 83.6 | Confident | 201 Ų | 201 | 58.5 Ų | 58.5 | 76% | 0.758 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 104.8 | 173.6 | -72.8 | -177.7 | 173.7 | 171.3 | -0.6 | 108.2 | P148 | P148-R150 PolarHBondContact O-N 3.15Å |
| 151 | E | 58.2 | Low | 83.5 | Confident | 170 Ų | 170 | 58.9 Ų | 58.9 | 79% | 0.794 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 155.5 | 127.4 | 150.6 | -88.7 | 166.6 | -163.7 | 0 | 0 | 110.4 | ||
| 152 | P | 68.1 | Low | 83.5 | Confident | 106 Ų | 106 | 58.9 Ų | 58.9 | 69% | 0.688 | 30% | 0.303 | S | S | * | . | S | Bend | cis | -83.6 | -3.3 | -14.6 | 33.8 | -33.5 | 0 | 0 | 0 | 114.3 | ||
| 153 | V | 77.6 | Confident | 83.6 | Confident | 27 Ų | 27 | 59 Ų | 59 | 16% | 0.164 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -127.6 | 147.2 | 179.5 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | P57 P59 Y68 I155 | P57-V153 HydrophobicContact CG-CB 4.29Å; P57-V153 WeakPolarHBondContact O-CG2 3.4Å; P59-V153 HydrophobicContact CB-CG2 4.07Å; Y68-V153 HydrophobicContact CD1-CG1 4.46Å; Y68-V153 HydrophobicContact CE1-CG1 4.15Å; V153-I155 PolarHBondContact O-N 2.89Å |
| 154 | V | 83.3 | Confident | 83.8 | Confident | 61 Ų | 61 | 56.6 Ų | 56.6 | 37% | 0.37 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 108.1 | 173.2 | -169.9 | 0 | 0 | 0 | 0 | 108.3 | P65 P148 | P65-V154 HydrophobicContact CB-CB 3.8Å; P65-V154 HydrophobicContact CB-CG1 3.39Å; P65-V154 HydrophobicContact CG-CB 4.22Å; P65-V154 HydrophobicContact CG-CG1 4.1Å; P148-V154 HydrophobicContact CB-CG1 3.67Å; P148-V154 HydrophobicContact CG-CG1 4.34Å |
| 155 | I | 86.4 | Confident | 84.1 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 139.3 | -176.8 | -169.7 | 167.8 | 0 | 0 | 0 | 109.6 | L49 P57 Y68 K70 P148 L149 V153 | L49-I155 HydrophobicContact CB-CD1 4.28Å; L49-I155 HydrophobicContact CD2-CD1 3.65Å; P57-I155 HydrophobicContact CB-CD1 4.01Å; Y68-I155 HydrophobicContact CD1-CB 4.01Å; Y68-I155 HydrophobicContact CD1-CD1 3.85Å; Y68-I155 HydrophobicContact CD1-CG1 3.74Å; Y68-I155 HydrophobicContact CD2-CD1 4.2Å; Y68-I155 HydrophobicContact CD2-CG1 4.39Å; Y68-I155 HydrophobicContact CE1-CB 4.24Å; Y68-I155 HydrophobicContact CE1-CD1 3.52Å; Y68-I155 HydrophobicContact CE1-CG1 3.94Å; Y68-I155 HydrophobicContact CE2-CD1 3.9Å; Y68-I155 HydrophobicContact CG-CD1 4.18Å; Y68-I155 HydrophobicContact CG-CG1 3.98Å; Y68-I155 WeakPolarHBondContact O-CG1 3.39Å; K70-I155 HydrophobicContact CB-CD1 3.63Å; K70-I155 HydrophobicContact CB-CG1 3.98Å; P148-I155 CarbonylContact C-O 3.55Å; L149-I155 PolarHBondContact N-O 2.86Å; L149-I155 PolarHBondContact O-N 2.81Å; V153-I155 PolarHBondContact O-N 2.89Å |
| 156 | T | 90 | Very high | 84.6 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.043 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.1 | -179 | -54.1 | 0 | 0 | 0 | 0 | 109.5 | P65 Y68 F69 K70 P144 | P65-T156 PolarHBondContact O-OG1 3.07Å; P65-T156 VanDerWaalsContact O-OG1 3.08Å; Y68-T156 PolarHBondContact O-N 2.95Å; F69-T156 CarbonylContact C-O 3.53Å; F69-T156 WeakPolarHBondContact CA-O 3.37Å; F69-T156 HydrophobicContact CD1-CG2 3.98Å; F69-T156 HydrophobicContact CE1-CG2 3.94Å; K70-T156 PolarHBondContact N-O 2.98Å; P144-T156 HydrophobicContact CB-CG2 4.05Å |
| 157 | M | 90.4 | Very high | 85.5 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 134.8 | 172 | -73.1 | -61.9 | -50.7 | 0 | 0 | 109.4 | K70 D72 P144 Q145 L149 | K70-M157 HydrophobicContact CB-CE 4.31Å; K70-M157 HydrophobicContact CB-SD 3.52Å; K70-M157 VanDerWaalsContact CB-SD 3.52Å; K70-M157 HydrophobicContact CD-CE 4.23Å; K70-M157 HydrophobicContact CD-SD 3.41Å; K70-M157 WeakPolarHBondContact CD-SD 3.19Å; K70-M157 HydrophobicContact CG-CE 3.9Å; K70-M157 HydrophobicContact CG-SD 3.45Å; K70-M157 WeakPolarHBondContact CG-SD 3.49Å; D72-M157 HydrophobicContact CB-CE 3.74Å; P144-M157 CarbonylContact C-O 3.57Å; P144-M157 WeakPolarHBondContact CA-O 3.47Å; Q145-M157 HydrophobicContact CG-CB 4.05Å; Q145-M157 PolarHBondContact N-O 3.5Å; L149-M157 HydrophobicContact CB-CG 4.39Å; L149-M157 HydrophobicContact CD2-CG 4.29Å |
| 158 | A | 93.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 118.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F69 K70 D72 L142 R143 | F69-A158 HydrophobicContact CB-CB 4.25Å; F69-A158 HydrophobicContact CD1-CB 3.96Å; F69-A158 HydrophobicContact CG-CB 4.42Å; K70-A158 PolarHBondContact O-N 3.2Å; D72-A158 PolarHBondContact N-O 3.37Å; L142-A158 HydrophobicContact CB-CB 4.34Å; L142-A158 HydrophobicContact CD2-CB 4.01Å; R143-A158 WeakPolarHBondContact O-CA 3.32Å |
| 159 | T | 94.6 | Very high | 87.7 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 18% | 0.184 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.3 | 179.6 | -58.6 | 0 | 0 | 0 | 0 | 110 | D72 P74 L142 R143 | D72-T159 CarbonylContact O-C 3.51Å; D72-T159 VanDerWaalsContact O-CA 3.29Å; D72-T159 WeakPolarHBondContact O-CA 3.49Å; D72-T159 WeakPolarHBondContact OD2-CG2 3.34Å; D72-T159 PolarHBondContact OD2-OG1 3.4Å; P74-T159 HydrophobicContact CG-CG2 3.9Å; L142-T159 CarbonylContact C-O 3.48Å; L142-T159 WeakPolarHBondContact CA-O 3.37Å; R143-T159 PolarHBondContact N-O 3.45Å; R143-T159 PolarHBondContact O-N 2.92Å |
| 160 | V | 96.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 126.9 | 175.4 | -176.9 | 0 | 0 | 0 | 0 | 109 | V71 D72 D73 L78 L142 T163 | V71-V160 HydrophobicContact CG1-CG2 3.86Å; D72-V160 WeakPolarHBondContact O-CG2 2.94Å; D72-V160 PolarHBondContact O-N 3.22Å; D73-V160 HydrophobicContact CB-CB 4.34Å; D73-V160 HydrophobicContact CB-CG2 4Å; L78-V160 HydrophobicContact CD2-CG2 3.6Å; L142-V160 HydrophobicContact CD1-CG2 4.21Å; L142-V160 HydrophobicContact CG-CG2 4.02Å; V160-T163 VanDerWaalsContact CG1-OG1 3.22Å; V160-T163 WeakPolarHBondContact CG1-OG1 3.47Å |
| 161 | V | 95.6 | Very high | 90.5 | Very high | 10 Ų | 10 | 32 Ų | 32 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -46.5 | -178.6 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | W126 L141 R143 Y187 A188 L281 | W126-V161 HydrophobicContact CH2-CB 4.25Å; W126-V161 HydrophobicContact CH2-CG1 3.97Å; W126-V161 HydrophobicContact CH2-CG2 3.93Å; W126-V161 HydrophobicContact CZ3-CB 3.81Å; W126-V161 HydrophobicContact CZ3-CG1 3.91Å; W126-V161 HydrophobicContact CZ3-CG2 3.71Å; L141-V161 PolarHBondContact O-N 3.03Å; R143-V161 HydrophobicContact CB-CG2 4.31Å; V161-Y187 HydrophobicContact CG1-CD2 4.21Å; V161-Y187 HydrophobicContact CG1-CE2 3.79Å; V161-Y187 CarbonylContact O-C 3.58Å; V161-Y187 WeakPolarHBondContact O-CA 3.41Å; V161-Y187 VanDerWaalsContact O-CD2 3.28Å; V161-Y187 WeakPolarHBondContact O-CD2 3.45Å; V161-A188 PolarHBondContact O-N 3.4Å; V161-L281 HydrophobicContact CG1-CD1 3.9Å |
| 162 | L | 97.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 132.5 | 178.4 | 172.3 | 62.4 | 0 | 0 | 0 | 108.5 | S140 L141 V164 A186 L278 L281 | S140-L162 CarbonylContact C-O 3.58Å; S140-L162 WeakPolarHBondContact CA-O 3.25Å; L141-L162 HydrophobicContact CB-CB 4.25Å; L141-L162 HydrophobicContact CD1-CB 4.22Å; L141-L162 HydrophobicContact CD1-CD2 4Å; L141-L162 HydrophobicContact CG-CB 4.37Å; L141-L162 PolarHBondContact N-O 3.23Å; L162-V164 HydrophobicContact CD1-CG2 4.26Å; L162-V164 HydrophobicContact CG-CG2 4.32Å; L162-A186 CarbonylContact C-O 3.52Å; L162-A186 WeakPolarHBondContact CA-O 3.25Å; L162-A186 WeakPolarHBondContact CD1-O 3.44Å; L162-L278 HydrophobicContact CD1-CD1 3.78Å; L162-L278 HydrophobicContact CD2-CD1 4.24Å; L162-L278 HydrophobicContact CG-CD1 4.44Å; L162-L281 HydrophobicContact CD2-CB 4.47Å |
| 163 | T | 98.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.8 | 168.1 | -64.8 | 0 | 0 | 0 | 0 | 109.1 | M77 S139 S140 V160 F185 A186 | M77-T163 HydrophobicContact CB-CG2 4.17Å; M77-T163 HydrophobicContact CG-CG2 3.8Å; M77-T163 HydrophobicContact SD-CG2 3.88Å; S139-T163 CarbonylContact O-C 3.59Å; S139-T163 WeakPolarHBondContact O-CA 3.36Å; S140-T163 WeakPolarHBondContact OG-CG2 3.35Å; S140-T163 PolarHBondContact OG-OG1 2.71Å; V160-T163 VanDerWaalsContact CG1-OG1 3.22Å; V160-T163 WeakPolarHBondContact CG1-OG1 3.47Å; T163-F185 CarbonylContact O-C 3.6Å; T163-F185 WeakPolarHBondContact O-CA 3.33Å; T163-F185 VanDerWaalsContact O-CB 3.27Å; T163-F185 WeakPolarHBondContact O-CB 3.43Å; T163-A186 PolarHBondContact N-O 2.57Å; T163-A186 PolarHBondContact O-N 3.05Å |
| 164 | V | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.1 | 170 | -176.1 | 0 | 0 | 0 | 0 | 107 | L138 S139 L162 L183 F185 V276 V285 | L138-V164 CarbonylContact C-O 3.46Å; L138-V164 WeakPolarHBondContact CA-O 3.5Å; S139-V164 PolarHBondContact N-O 2.91Å; S139-V164 PolarHBondContact O-N 3.06Å; L162-V164 HydrophobicContact CD1-CG2 4.26Å; L162-V164 HydrophobicContact CG-CG2 4.32Å; V164-L183 HydrophobicContact CG1-CD1 3.65Å; V164-L183 HydrophobicContact CG1-CG 4.41Å; V164-F185 HydrophobicContact CG2-CB 4.17Å; V164-V276 HydrophobicContact CG1-CG2 4.08Å; V164-V276 HydrophobicContact CG2-CB 3.89Å; V164-V276 HydrophobicContact CG2-CG2 3.98Å; V164-V285 HydrophobicContact CB-CG1 4.21Å; V164-V285 HydrophobicContact CG1-CG1 3.92Å; V164-V285 HydrophobicContact CG1-CG2 4.01Å; V164-V285 WeakPolarHBondContact O-CG1 3.32Å |
| 165 | L | 97.9 | Very high | 95 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 140.1 | -169.4 | 174.5 | 67.6 | 0 | 0 | 0 | 110.3 | M77 A81 F136 L138 L183 R184 | M77-L165 HydrophobicContact CG-CB 4.44Å; M77-L165 HydrophobicContact CG-CD2 4.03Å; M77-L165 HydrophobicContact SD-CB 4.02Å; M77-L165 HydrophobicContact SD-CD2 4.45Å; A81-L165 HydrophobicContact CB-CD1 4.19Å; A81-L165 HydrophobicContact CB-CD2 4.1Å; F136-L165 HydrophobicContact CB-CD1 3.92Å; F136-L165 HydrophobicContact CD2-CD1 4.24Å; F136-L165 HydrophobicContact CG-CD1 4.13Å; L138-L165 HydrophobicContact CB-CD1 3.76Å; L165-L183 WeakPolarHBondContact O-CA 3.36Å; L165-R184 PolarHBondContact N-O 2.87Å; L165-R184 PolarHBondContact O-N 3.35Å; L165-R184 VanDerWaalsContact O-O 3.12Å |
| 166 | T | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.9 | 164 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | F136 S137 N168 D182 V285 L287 | F136-T166 WeakPolarHBondContact CA-O 3.22Å; F136-T166 WeakPolarHBondContact CB-O 3.48Å; S137-T166 PolarHBondContact N-O 3.06Å; S137-T166 WeakPolarHBondContact O-CG2 3.34Å; S137-T166 PolarHBondContact O-N 3.08Å; T166-N168 VanDerWaalsContact C-N 3.27Å; T166-N168 PolarHBondContact OG1-N 2.93Å; T166-D182 WeakPolarHBondContact CB-O 3.27Å; T166-D182 PolarHBondContact OG1-O 2.78Å; T166-V285 HydrophobicContact CG2-CB 4.29Å; T166-V285 HydrophobicContact CG2-CG2 4.17Å; T166-L287 HydrophobicContact CG2-CD1 4.15Å; T166-L287 HydrophobicContact CG2-CD2 4.33Å; T166-L287 HydrophobicContact CG2-CG 3.96Å; T166-L287 WeakPolarHBondContact OG1-CD2 3.46Å |
| 167 | H | 95.3 | Very high | 95.6 | Very high | 82 Ų | 82 | 35.2 Ų | 35.2 | 38% | 0.38 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -83 | -3.8 | 177.9 | -60.6 | 87.8 | 0 | 0 | 0 | 113.2 | L135 D182 | L135-H167 CarbonylContact O-C 3.52Å; H167-D182 WeakPolarHBondContact CB-OD2 3.36Å; H167-D182 IonicContact CE1-OD2 2.88Å; H167-D182 IonicContact CG-OD2 3.33Å; H167-D182 PolarHBondContact N-OD2 3.08Å; H167-D182 IonicContact ND1-OD2 3.47Å; H167-D182 PolarHBondContact ND1-OD2 3.41Å |
| 168 | N | 95.1 | Very high | 95.9 | Very high | 72 Ų | 72 | 37.8 Ų | 37.8 | 39% | 0.385 | 20% | 0.199 | S | C | . | . | trans | -137.4 | 83 | 179.3 | -171 | 6.4 | 0 | 0 | 0 | 109.5 | T166 A170 P171 | T166-N168 VanDerWaalsContact C-N 3.27Å; T166-N168 PolarHBondContact OG1-N 2.93Å; N168-A170 VanDerWaalsContact C-N 3.26Å; N168-A170 PolarHBondContact O-N 3.09Å; N168-P171 WeakPolarHBondContact ND2-CB 3.5Å; N168-P171 WeakPolarHBondContact O-CD 3.23Å | ||
| 169 | P | 95.3 | Very high | 96.1 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 10% | 0.097 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -73.4 | -17.6 | -174.9 | 29.4 | -33.5 | 0 | 0 | 0 | 112.8 | S133 L287 E288 | S133-P169 VanDerWaalsContact O-CG 3.24Å; S133-P169 WeakPolarHBondContact O-CG 3.28Å; P169-L287 CarbonylContact O-C 3.48Å; P169-L287 VanDerWaalsContact O-CA 3.26Å; P169-L287 WeakPolarHBondContact O-CA 3.39Å; P169-E288 PolarHBondContact O-N 2.81Å |
| 170 | A | 95.8 | Very high | 96.2 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 42% | 0.421 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -132.3 | 66.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | N168 R172 E288 | N168-A170 VanDerWaalsContact C-N 3.26Å; N168-A170 PolarHBondContact O-N 3.09Å; A170-R172 PolarHBondContact O-N 3.42Å; A170-E288 CarbonylContact C-O 3.46Å; A170-E288 WeakPolarHBondContact CA-O 3.39Å |
| 171 | P | 95.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | trans | -64.3 | 130.3 | -175.8 | 21.4 | -26.5 | 0 | 0 | 0 | 111.4 | N168 L181 E288 L289 T290 | N168-P171 WeakPolarHBondContact ND2-CB 3.5Å; N168-P171 WeakPolarHBondContact O-CD 3.23Å; P171-L181 HydrophobicContact CB-CD2 4.12Å; P171-L181 HydrophobicContact CG-CD2 3.6Å; P171-E288 WeakPolarHBondContact CD-O 3.44Å; P171-L289 HydrophobicContact CB-CD1 4.22Å; P171-L289 HydrophobicContact CG-CB 4.44Å; P171-L289 HydrophobicContact CG-CD1 4.07Å; P171-T290 PolarHBondContact O-N 3.22Å; P171-T290 PolarHBondContact O-OG1 2.96Å | ||
| 172 | R | 94.7 | Very high | 96.3 | Very high | 152 Ų | 152 | 41.6 Ų | 41.6 | 57% | 0.574 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 110.8 | 175.8 | -55.2 | -172 | 64.9 | -178.4 | -4.2 | 109.6 | A170 T290 | A170-R172 PolarHBondContact O-N 3.42Å; R172-T290 CarbonylContact C-O 3.51Å; R172-T290 WeakPolarHBondContact CA-O 3.18Å; R172-T290 WeakPolarHBondContact CG-OG1 3.26Å |
| 173 | V | 95.9 | Very high | 96.4 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 11% | 0.109 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 143.1 | -173.1 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | K177 A179 V264 L289 T290 V291 H292 | V173-K177 HydrophobicContact CG1-CB 4.42Å; V173-A179 HydrophobicContact CB-CB 4.33Å; V173-A179 HydrophobicContact CG1-CB 4.09Å; V173-A179 HydrophobicContact CG2-CB 3.76Å; V173-V264 HydrophobicContact CG1-CG2 4.43Å; V173-L289 HydrophobicContact CB-CD1 4.21Å; V173-L289 HydrophobicContact CG2-CD1 3.69Å; V173-T290 PolarHBondContact N-O 2.99Å; V173-V291 CarbonylContact O-C 3.58Å; V173-V291 VanDerWaalsContact O-CA 3.27Å; V173-V291 WeakPolarHBondContact O-CA 3.49Å; V173-H292 PolarHBondContact O-N 3.48Å; V173-H292 PolarHBondContact O-ND1 2.81Å |
| 174 | Q | 95.4 | Very high | 96.4 | Very high | 90 Ų | 90 | 44.4 Ų | 44.4 | 42% | 0.421 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 135.1 | 177.4 | -173.1 | 179.9 | 11.8 | 0 | 0 | 110.4 | G176 K177 H292 | Q174-G176 PolarHBondContact O-N 2.98Å; Q174-K177 HydrophobicContact CB-CB 4.32Å; Q174-K177 HydrophobicContact CB-CG 3.82Å; Q174-K177 HydrophobicContact CG-CG 4.28Å; Q174-K177 VanDerWaalsContact O-CB 3.31Å; Q174-K177 WeakPolarHBondContact O-CB 3.31Å; Q174-K177 PolarHBondContact O-N 3.08Å; Q174-H292 CarbonylContact C-O 3.59Å; Q174-H292 WeakPolarHBondContact CA-O 3.37Å |
| 175 | L | 95.3 | Very high | 96.3 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 9% | 0.089 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 128.8 | 177.1 | -172.8 | 160.1 | 0 | 0 | 0 | 111.1 | K177 P266 V291 H292 K293 F324 D360 | L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 2.64Å; L175-P266 HydrophobicContact CD1-CG 3.64Å; L175-V291 HydrophobicContact CB-CG1 3.65Å; L175-V291 HydrophobicContact CD1-CG1 4.44Å; L175-V291 HydrophobicContact CG-CG1 4.2Å; L175-H292 PolarHBondContact N-O 2.87Å; L175-K293 HydrophobicContact CB-CB 4.02Å; L175-K293 HydrophobicContact CB-CD 4.09Å; L175-K293 HydrophobicContact CB-CG 4.42Å; L175-K293 HydrophobicContact CD1-CD 4.32Å; L175-K293 HydrophobicContact CD2-CD 4.2Å; L175-K293 HydrophobicContact CG-CD 4.45Å; L175-F324 HydrophobicContact CD1-CB 4.11Å; L175-F324 HydrophobicContact CD1-CG 4.4Å; L175-D360 HydrophobicContact CD2-CB 4.31Å |
| 176 | G | 93.9 | Very high | 96.3 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 44% | 0.443 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 0.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q174 V264 | Q174-G176 PolarHBondContact O-N 2.98Å; G176-V264 PolarHBondContact N-O 2.82Å |
| 177 | K | 95.8 | Very high | 96.2 | Very high | 122 Ų | 122 | 45.3 Ų | 45.3 | 53% | 0.53 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -92.7 | 163.9 | 167.2 | -62.2 | -61.8 | -171.9 | 173.9 | 0 | 110.5 | V173 Q174 L175 V264 | V173-K177 HydrophobicContact CG1-CB 4.42Å; Q174-K177 HydrophobicContact CB-CB 4.32Å; Q174-K177 HydrophobicContact CB-CG 3.82Å; Q174-K177 HydrophobicContact CG-CG 4.28Å; Q174-K177 VanDerWaalsContact O-CB 3.31Å; Q174-K177 WeakPolarHBondContact O-CB 3.31Å; Q174-K177 PolarHBondContact O-N 3.08Å; L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 2.64Å; K177-V264 WeakPolarHBondContact O-CG2 3.19Å; K177-V264 PolarHBondContact O-N 2.76Å |
| 178 | D | 97.2 | Very high | 96.1 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 42% | 0.422 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -77.8 | 138.1 | 176.6 | -57.1 | -14 | 0 | 0 | 0 | 109.8 | W260 L261 P262 A263 | D178-W260 WeakPolarHBondContact OD2-CZ2 3.31Å; D178-W260 PolarHBondContact OD2-NE1 3.41Å; D178-L261 CarbonylContact C-O 3.5Å; D178-L261 WeakPolarHBondContact CA-O 3.28Å; D178-P262 VanDerWaalsContact OD1-CA 3.3Å; D178-P262 WeakPolarHBondContact OD1-CA 3.11Å; D178-A263 PolarHBondContact OD1-N 2.99Å |
| 179 | A | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 132.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V173 L181 W260 L261 V264 L289 | V173-A179 HydrophobicContact CB-CB 4.33Å; V173-A179 HydrophobicContact CG1-CB 4.09Å; V173-A179 HydrophobicContact CG2-CB 3.76Å; A179-L181 HydrophobicContact CB-CD2 4.27Å; A179-W260 WeakPolarHBondContact O-CA 3.49Å; A179-L261 HydrophobicContact CB-CB 4.29Å; A179-L261 PolarHBondContact N-O 3.48Å; A179-L261 PolarHBondContact O-N 3.49Å; A179-V264 HydrophobicContact CB-CG2 3.52Å; A179-L289 HydrophobicContact CB-CD1 4.32Å |
| 180 | V | 97.1 | Very high | 94.2 | Very high | 86 Ų | 86 | 40.2 Ų | 40.2 | 52% | 0.521 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 108.5 | 170.1 | -176.4 | 0 | 0 | 0 | 0 | 107.2 | F259 | V180-F259 CarbonylContact C-O 3.55Å; V180-F259 WeakPolarHBondContact CA-O 3.26Å |
| 181 | L | 97.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 110.8 | 178.7 | -48.5 | -174.2 | 0 | 0 | 0 | 108.3 | P171 A179 W209 T258 F259 Y272 L287 L289 | P171-L181 HydrophobicContact CB-CD2 4.12Å; P171-L181 HydrophobicContact CG-CD2 3.6Å; A179-L181 HydrophobicContact CB-CD2 4.27Å; L181-W209 HydrophobicContact CB-CH2 3.66Å; L181-W209 HydrophobicContact CB-CZ2 4.39Å; L181-W209 HydrophobicContact CB-CZ3 4.09Å; L181-W209 HydrophobicContact CD1-CE3 4.34Å; L181-W209 HydrophobicContact CD1-CH2 4.16Å; L181-W209 HydrophobicContact CD1-CZ3 3.69Å; L181-T258 CarbonylContact O-C 3.55Å; L181-T258 VanDerWaalsContact O-CA 3.31Å; L181-T258 WeakPolarHBondContact O-CA 2.97Å; L181-F259 HydrophobicContact CB-CB 4.19Å; L181-F259 HydrophobicContact CD1-CD1 3.66Å; L181-F259 HydrophobicContact CD1-CE1 4.29Å; L181-F259 HydrophobicContact CG-CD1 4.02Å; L181-F259 PolarHBondContact N-O 3.33Å; L181-F259 PolarHBondContact O-N 3.47Å; L181-Y272 HydrophobicContact CD1-CD1 3.61Å; L181-Y272 HydrophobicContact CD1-CD2 4.5Å; L181-Y272 HydrophobicContact CD1-CE1 4.09Å; L181-Y272 HydrophobicContact CD1-CG 3.84Å; L181-L287 HydrophobicContact CB-CD2 4.05Å; L181-L289 HydrophobicContact CD2-CD1 4.12Å |
| 182 | D | 96.6 | Very high | 90.4 | Very high | 37 Ų | 37 | 49.5 Ų | 49.5 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | trans | -66.7 | 133.8 | -177.5 | 177.9 | 62.1 | 0 | 0 | 0 | 111.7 | T166 H167 | T166-D182 WeakPolarHBondContact CB-O 3.27Å; T166-D182 PolarHBondContact OG1-O 2.78Å; H167-D182 WeakPolarHBondContact CB-OD2 3.36Å; H167-D182 IonicContact CE1-OD2 2.88Å; H167-D182 IonicContact CG-OD2 3.33Å; H167-D182 PolarHBondContact N-OD2 3.08Å; H167-D182 IonicContact ND1-OD2 3.47Å; H167-D182 PolarHBondContact ND1-OD2 3.41Å | ||
| 183 | L | 98.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -151 | 123.5 | 173.9 | -171.8 | 77.5 | 0 | 0 | 0 | 109.7 | V164 L165 L207 W209 N256 G257 T258 A274 V276 V285 | V164-L183 HydrophobicContact CG1-CD1 3.65Å; V164-L183 HydrophobicContact CG1-CG 4.41Å; L165-L183 WeakPolarHBondContact O-CA 3.36Å; L183-L207 HydrophobicContact CD2-CD1 3.63Å; L183-W209 HydrophobicContact CB-CH2 4.49Å; L183-W209 HydrophobicContact CB-CZ2 3.82Å; L183-W209 HydrophobicContact CD2-CZ2 3.93Å; L183-W209 HydrophobicContact CG-CZ2 4.33Å; L183-N256 PolarHBondContact O-OD1 2.66Å; L183-G257 WeakPolarHBondContact CD2-O 3.44Å; L183-G257 PolarHBondContact O-N 3.22Å; L183-T258 PolarHBondContact O-N 2.79Å; L183-A274 HydrophobicContact CD1-CB 3.66Å; L183-A274 HydrophobicContact CD2-CB 3.8Å; L183-A274 HydrophobicContact CG-CB 4.33Å; L183-V276 HydrophobicContact CD2-CG2 4.22Å; L183-V285 HydrophobicContact CD1-CG2 3.38Å | ||
| 184 | R | 98 | Very high | 86 | Confident | 61 Ų | 61 | 49.7 Ų | 49.7 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 146.9 | 176.9 | -60.5 | -70.1 | -73.5 | 167.1 | 0.5 | 108.1 | M77 L165 D245 G255 | M77-R184 HydrophobicContact CE-CB 3.86Å; M77-R184 HydrophobicContact SD-CB 4.39Å; L165-R184 PolarHBondContact N-O 2.87Å; L165-R184 PolarHBondContact O-N 3.35Å; L165-R184 VanDerWaalsContact O-O 3.12Å; R184-D245 IonicContact CZ-OD1 2.7Å; R184-D245 IonicContact CZ-OD2 3.84Å; R184-D245 VanDerWaalsContact CZ-OD2 3.27Å; R184-D245 IonicContact NH1-OD1 3.79Å; R184-D245 PolarHBondContact NH1-OD1 3Å; R184-D245 IonicContact NH1-OD2 3.35Å; R184-D245 PolarHBondContact NH1-OD2 3.49Å; R184-D245 IonicContact NH2-OD1 3.12Å; R184-D245 IonicContact NH2-OD2 3.92Å; R184-D245 PolarHBondContact NH2-OD2 3.16Å; R184-G255 WeakPolarHBondContact CA-O 3.38Å |
| 185 | F | 98 | Very high | 83.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 159.7 | 174.2 | 63.8 | -84.4 | 0 | 0 | 0 | 111.1 | M77 T163 V164 F205 W244 T254 G255 N256 V276 | M77-F185 VanDerWaalsContact CE-C 3.44Å; M77-F185 VanDerWaalsContact CE-O 3.3Å; M77-F185 WeakPolarHBondContact CE-O 3.35Å; T163-F185 CarbonylContact O-C 3.6Å; T163-F185 WeakPolarHBondContact O-CA 3.33Å; T163-F185 VanDerWaalsContact O-CB 3.27Å; T163-F185 WeakPolarHBondContact O-CB 3.43Å; V164-F185 HydrophobicContact CG2-CB 4.17Å; F185-F205 HydrophobicContact CE1-CD2 4.28Å; F185-F205 AromaticContact CE1-CE2 3.8Å; F185-F205 HydrophobicContact CE1-CE2 3.8Å; F185-F205 HydrophobicContact CE1-CZ 4.06Å; F185-F205 HydrophobicContact CE2-CD1 4.47Å; F185-F205 HydrophobicContact CE2-CD2 4.25Å; F185-F205 HydrophobicContact CE2-CE2 4.44Å; F185-F205 HydrophobicContact CE2-CG 4.25Å; F185-F205 HydrophobicContact CZ-CD1 4.08Å; F185-F205 AromaticContact CZ-CD2 3.69Å; F185-F205 HydrophobicContact CZ-CD2 3.69Å; F185-F205 AromaticContact CZ-CE1 3.86Å; F185-F205 HydrophobicContact CZ-CE1 3.86Å; F185-F205 AromaticContact CZ-CE2 3.46Å; F185-F205 HydrophobicContact CZ-CE2 3.46Å; F185-F205 VanDerWaalsContact CZ-CE2 3.46Å; F185-F205 AromaticContact CZ-CG 3.98Å; F185-F205 HydrophobicContact CZ-CG 3.98Å; F185-F205 AromaticContact CZ-CZ 3.55Å; F185-F205 HydrophobicContact CZ-CZ 3.55Å; F185-W244 HydrophobicContact CD2-CH2 4.03Å; F185-W244 AromaticContact CD2-CZ3 3.9Å; F185-W244 HydrophobicContact CD2-CZ3 3.9Å; F185-W244 HydrophobicContact CE2-CD2 4.28Å; F185-W244 AromaticContact CE2-CE3 3.83Å; F185-W244 HydrophobicContact CE2-CE3 3.83Å; F185-W244 AromaticContact CE2-CH2 3.43Å; F185-W244 HydrophobicContact CE2-CH2 3.43Å; F185-W244 VanDerWaalsContact CE2-CH2 3.43Å; F185-W244 AromaticContact CE2-CZ2 3.9Å; F185-W244 HydrophobicContact CE2-CZ2 3.9Å; F185-W244 AromaticContact CE2-CZ3 3.37Å; F185-W244 HydrophobicContact CE2-CZ3 3.37Å; F185-W244 HydrophobicContact CZ-CE3 4.33Å; F185-W244 HydrophobicContact CZ-CH2 4.49Å; F185-W244 HydrophobicContact CZ-CZ3 4.3Å; F185-T254 CarbonylContact O-C 3.57Å; F185-T254 WeakPolarHBondContact O-CA 3.3Å; F185-G255 VanDerWaalsContact CE1-C 3.49Å; F185-G255 PolarHBondContact N-O 2.92Å; F185-G255 PolarHBondContact O-N 2.79Å; F185-N256 WeakPolarHBondContact CE1-O 3.34Å; F185-V276 HydrophobicContact CB-CG2 4.18Å; F185-V276 HydrophobicContact CD1-CG1 4.4Å; F185-V276 HydrophobicContact CD1-CG2 3.98Å; F185-V276 HydrophobicContact CD2-CG1 3.95Å; F185-V276 HydrophobicContact CE2-CG1 4.2Å; F185-V276 HydrophobicContact CG-CG1 4.06Å; F185-V276 HydrophobicContact CG-CG2 4.09Å |
| 186 | A | 97.6 | Very high | 81.1 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 141.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | A75 M77 L162 T163 W253 T254 | A75-A186 HydrophobicContact CB-CB 3.7Å; M77-A186 HydrophobicContact CB-CB 3.67Å; M77-A186 HydrophobicContact CE-CB 3.81Å; M77-A186 HydrophobicContact CG-CB 4.33Å; M77-A186 HydrophobicContact SD-CB 3.79Å; L162-A186 CarbonylContact C-O 3.52Å; L162-A186 WeakPolarHBondContact CA-O 3.25Å; L162-A186 WeakPolarHBondContact CD1-O 3.44Å; T163-A186 PolarHBondContact N-O 2.57Å; T163-A186 PolarHBondContact O-N 3.05Å; A186-W253 CarbonylContact C-O 3.49Å; A186-W253 VanDerWaalsContact CA-O 3.29Å; A186-W253 WeakPolarHBondContact CA-O 3.44Å; A186-T254 HydrophobicContact CB-CG2 4.09Å |
| 187 | Y | 95.5 | Very high | 78.9 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 9% | 0.09 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 128.6 | 179.6 | 175.9 | -117.6 | 0 | 0 | 0 | 110.5 | V161 P189 P203 W244 P252 W253 L278 L281 | V161-Y187 HydrophobicContact CG1-CD2 4.21Å; V161-Y187 HydrophobicContact CG1-CE2 3.79Å; V161-Y187 CarbonylContact O-C 3.58Å; V161-Y187 WeakPolarHBondContact O-CA 3.41Å; V161-Y187 VanDerWaalsContact O-CD2 3.28Å; V161-Y187 WeakPolarHBondContact O-CD2 3.45Å; Y187-P189 HydrophobicContact CE1-CB 4.22Å; Y187-P203 HydrophobicContact CD1-CG 3.85Å; Y187-P203 HydrophobicContact CE1-CG 3.72Å; Y187-W244 HydrophobicContact CD1-CH2 4.48Å; Y187-W244 HydrophobicContact CG-CH2 4.48Å; Y187-P252 CarbonylContact O-C 3.57Å; Y187-P252 WeakPolarHBondContact O-CA 3.5Å; Y187-P252 WeakPolarHBondContact O-CB 3.44Å; Y187-W253 AromaticContact CD1-CE3 3.79Å; Y187-W253 HydrophobicContact CD1-CE3 3.79Å; Y187-W253 AromaticContact CD1-CZ3 3.91Å; Y187-W253 HydrophobicContact CD1-CZ3 3.91Å; Y187-W253 HydrophobicContact CE1-CE3 4.34Å; Y187-W253 AromaticContact CE1-CZ3 3.99Å; Y187-W253 HydrophobicContact CE1-CZ3 3.99Å; Y187-W253 PolarHBondContact N-O 3.07Å; Y187-W253 PolarHBondContact O-N 3.35Å; Y187-L278 HydrophobicContact CD1-CD1 4.37Å; Y187-L278 HydrophobicContact CD2-CD1 3.44Å; Y187-L278 VanDerWaalsContact CD2-CD1 3.44Å; Y187-L278 HydrophobicContact CE2-CD1 4.01Å; Y187-L278 HydrophobicContact CG-CD1 3.66Å; Y187-L281 HydrophobicContact CE2-CD1 4.24Å |
| 188 | A | 92.2 | Very high | 76.5 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | trans | -114.8 | 114 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109 | P74 V161 P252 | P74-A188 HydrophobicContact CB-CB 3.97Å; P74-A188 HydrophobicContact CG-CB 4.22Å; V161-A188 PolarHBondContact O-N 3.4Å; A188-P252 HydrophobicContact CB-CB 3.98Å | ||
| 189 | P | 82.4 | Confident | 74.1 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 23% | 0.234 | 36% | 0.364 | C | S | . | . | trans | -66.1 | 151.8 | 175.7 | 28.1 | -33.1 | 0 | 0 | 0 | 110.7 | Y187 W253 | Y187-P189 HydrophobicContact CE1-CB 4.22Å; P189-W253 HydrophobicContact CB-CZ3 4.31Å; P189-W253 HydrophobicContact CG-CH2 4.11Å; P189-W253 HydrophobicContact CG-CZ3 3.73Å | ||
| 190 | S | 69.2 | Low | 72.7 | Confident | 18 Ų | 18 | 61.3 Ų | 61.3 | 13% | 0.126 | 38% | 0.381 | C | S | . | . | trans | -79.1 | 131 | 178 | 169.1 | 0 | 0 | 0 | 0 | 110 | R143 L192 E193 | R143-S190 PolarHBondContact NH1-OG 3.22Å; R143-S190 PolarHBondContact NH2-OG 2.92Å; S190-L192 PolarHBondContact O-N 2.79Å; S190-E193 PolarHBondContact O-N 2.81Å | ||
| 191 | A | 58.7 | Low | 71.8 | Confident | 111 Ų | 111 | 58.7 Ų | 58.7 | 92% | 0.917 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -10.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | E193 | A191-E193 VanDerWaalsContact C-N 3.34Š|
| 192 | L | 52.5 | Low | 71.5 | Confident | 137 Ų | 137 | 60 Ų | 60 | 72% | 0.717 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -1.9 | 175 | -70.9 | 163.1 | 0 | 0 | 0 | 113.9 | S190 G194 | S190-L192 PolarHBondContact O-N 2.79Å; L192-G194 PolarHBondContact O-N 3.34Å |
| 193 | E | 55.8 | Low | 71.2 | Confident | 103 Ų | 103 | 59.7 Ų | 59.7 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -65.3 | 98.9 | 169.3 | -73.3 | -175.2 | 179.4 | 0 | 0 | 109.1 | A121 S190 A191 | A121-E193 HydrophobicContact CB-CG 4.23Å; S190-E193 PolarHBondContact O-N 2.81Å; A191-E193 VanDerWaalsContact C-N 3.34Å |
| 194 | G | 43.6 | Very low | 70.9 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 73% | 0.732 | 39% | 0.394 | S | S | * | . | trans | -60 | 135.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | L192 | L192-G194 PolarHBondContact O-N 3.34Š| ||
| 195 | S | 41.5 | Very low | 70.8 | Confident | 110 Ų | 110 | 59 Ų | 59 | 77% | 0.769 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 46.2 | 86.2 | 174.4 | -176.1 | 0 | 0 | 0 | 0 | 114.5 | S197 | S195-S197 PolarHBondContact O-N 3.16Š|
| 196 | P | 45.4 | Very low | 70.7 | Confident | 70 Ų | 70 | 59 Ų | 59 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | trans | -57.7 | 125.4 | 166.4 | 28.8 | -41 | 0 | 0 | 0 | 111.8 | L198 W250 | P196-L198 PolarHBondContact O-N 2.85Å; P196-W250 HydrophobicContact CB-CE3 4.11Å; P196-W250 HydrophobicContact CB-CH2 3.25Å; P196-W250 HydrophobicContact CB-CZ3 2.96Å; P196-W250 HydrophobicContact CG-CE3 4.4Å; P196-W250 HydrophobicContact CG-CH2 3.2Å; P196-W250 HydrophobicContact CG-CZ3 3.11Å | ||
| 197 | S | 47.2 | Very low | 70.7 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 53% | 0.531 | 38% | 0.383 | S | S | . | . | trans | -62.1 | 127.4 | 158.5 | 50.1 | 0 | 0 | 0 | 0 | 107.6 | S195 D199 A200 | S195-S197 PolarHBondContact O-N 3.16Å; S197-D199 PolarHBondContact O-N 2.85Å; S197-A200 PolarHBondContact O-N 2.83Å; S197-A200 WeakPolarHBondContact OG-CB 3.4Å | ||
| 198 | L | 45.3 | Very low | 70.8 | Confident | 142 Ų | 142 | 58.6 Ų | 58.6 | 74% | 0.743 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -5.8 | -177.3 | -130.9 | 83.2 | 0 | 0 | 0 | 114.8 | P196 | P196-L198 PolarHBondContact O-N 2.85Š|
| 199 | D | 47.4 | Very low | 71 | Confident | 153 Ų | 153 | 58.2 Ų | 58.2 | 82% | 0.818 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | 7.1 | -175.2 | -60.1 | -39.1 | 0 | 0 | 0 | 113.9 | S197 G201 | S197-D199 PolarHBondContact O-N 2.85Å; D199-G201 PolarHBondContact O-N 2.94Å; D199-G201 VanDerWaalsContact O-N 3.08Å |
| 200 | A | 67.3 | Low | 71.6 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | trans | -83.4 | 86.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S197 P249 | S197-A200 PolarHBondContact O-N 2.83Å; S197-A200 WeakPolarHBondContact OG-CB 3.4Å; A200-P249 VanDerWaalsContact O-O 3.07Å | ||
| 201 | G | 78.7 | Confident | 72.8 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 32% | 0.32 | 38% | 0.381 | S | S | . | . | trans | -60 | -170.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D199 | D199-G201 PolarHBondContact O-N 2.94Å; D199-G201 VanDerWaalsContact O-N 3.08Å | ||
| 202 | P | 89.5 | Confident | 74.3 | Confident | 28 Ų | 28 | 59.5 Ų | 59.5 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -60.6 | 142.9 | -173.5 | 26.2 | -36.5 | 0 | 0 | 0 | 112.5 | W244 W253 | P202-W244 HydrophobicContact CB-CB 4.28Å; P202-W244 VanDerWaalsContact CB-CD1 3.46Å; P202-W244 HydrophobicContact CB-CD2 3.72Å; P202-W244 HydrophobicContact CB-CE3 4.46Å; P202-W244 HydrophobicContact CB-CG 3.59Å; P202-W244 HydrophobicContact CB-CZ2 4.38Å; P202-W244 HydrophobicContact CG-CB 3.91Å; P202-W244 VanDerWaalsContact CG-CD1 3.44Å; P202-W244 HydrophobicContact CG-CD2 4.3Å; P202-W244 HydrophobicContact CG-CG 3.63Å; P202-W253 HydrophobicContact CB-CB 4.31Å; P202-W253 HydrophobicContact CB-CD2 3.74Å; P202-W253 HydrophobicContact CB-CE3 4.42Å; P202-W253 HydrophobicContact CB-CG 3.68Å; P202-W253 HydrophobicContact CB-CZ2 4.48Å |
| 203 | P | 90.4 | Very high | 75.3 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 20% | 0.201 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -66 | 152.8 | -177.4 | 28.4 | -35.5 | 0 | 0 | 0 | 111 | Y187 W244 L278 | Y187-P203 HydrophobicContact CD1-CG 3.85Å; Y187-P203 HydrophobicContact CE1-CG 3.72Å; P203-W244 HydrophobicContact CG-CZ2 4.28Å; P203-W244 PolarHBondContact O-NE1 3.3Å; P203-L278 HydrophobicContact CG-CD2 4.11Å |
| 204 | P | 92.9 | Very high | 75.9 | Confident | 46 Ų | 46 | 63 Ų | 63 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 144.1 | 168.5 | -20.9 | 31.3 | 0 | 0 | 0 | 111.5 | L112 L227 | L112-P204 HydrophobicContact CD2-CB 4.19Å; P204-L227 HydrophobicContact CB-CD1 3.74Å; P204-L227 HydrophobicContact CB-CD2 4.39Å; P204-L227 HydrophobicContact CB-CG 3.58Å; P204-L227 HydrophobicContact CG-CD1 4.28Å; P204-L227 HydrophobicContact CG-CD2 4.12Å; P204-L227 HydrophobicContact CG-CG 3.86Å |
| 205 | F | 95.4 | Very high | 77 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -130.5 | 158.6 | 177.5 | 73.4 | -83 | 0 | 0 | 0 | 110.4 | F185 L207 T224 P225 A242 W244 V276 H277 L278 | F185-F205 HydrophobicContact CE1-CD2 4.28Å; F185-F205 AromaticContact CE1-CE2 3.8Å; F185-F205 HydrophobicContact CE1-CE2 3.8Å; F185-F205 HydrophobicContact CE1-CZ 4.06Å; F185-F205 HydrophobicContact CE2-CD1 4.47Å; F185-F205 HydrophobicContact CE2-CD2 4.25Å; F185-F205 HydrophobicContact CE2-CE2 4.44Å; F185-F205 HydrophobicContact CE2-CG 4.25Å; F185-F205 HydrophobicContact CZ-CD1 4.08Å; F185-F205 AromaticContact CZ-CD2 3.69Å; F185-F205 HydrophobicContact CZ-CD2 3.69Å; F185-F205 AromaticContact CZ-CE1 3.86Å; F185-F205 HydrophobicContact CZ-CE1 3.86Å; F185-F205 AromaticContact CZ-CE2 3.46Å; F185-F205 HydrophobicContact CZ-CE2 3.46Å; F185-F205 VanDerWaalsContact CZ-CE2 3.46Å; F185-F205 AromaticContact CZ-CG 3.98Å; F185-F205 HydrophobicContact CZ-CG 3.98Å; F185-F205 AromaticContact CZ-CZ 3.55Å; F185-F205 HydrophobicContact CZ-CZ 3.55Å; F205-L207 HydrophobicContact CE2-CB 4.3Å; F205-T224 CarbonylContact O-C 3.58Å; F205-T224 VanDerWaalsContact O-CA 3.23Å; F205-T224 WeakPolarHBondContact O-CA 3.34Å; F205-P225 HydrophobicContact CD1-CB 4.32Å; F205-P225 HydrophobicContact CE1-CB 3.71Å; F205-P225 HydrophobicContact CE1-CG 3.83Å; F205-P225 HydrophobicContact CE2-CG 4.1Å; F205-P225 HydrophobicContact CZ-CB 4.01Å; F205-P225 HydrophobicContact CZ-CG 3.59Å; F205-P225 PolarHBondContact N-O 3.28Å; F205-P225 VanDerWaalsContact O-CD 3.22Å; F205-P225 WeakPolarHBondContact O-CD 3.39Å; F205-A242 HydrophobicContact CE2-CB 4.36Å; F205-A242 HydrophobicContact CZ-CB 4.18Å; F205-W244 HydrophobicContact CB-CZ2 4.31Å; F205-W244 HydrophobicContact CD1-CD2 4.46Å; F205-W244 AromaticContact CD1-CE2 3.71Å; F205-W244 HydrophobicContact CD1-CZ2 4.09Å; F205-W244 AromaticContact CD1-NE1 3.4Å; F205-W244 HydrophobicContact CE1-CG 4.44Å; F205-W244 AromaticContact CE1-NE1 3.85Å; F205-W244 HydrophobicContact CG-CZ2 4.47Å; F205-V276 HydrophobicContact CD2-CG1 4.24Å; F205-H277 CarbonylContact C-O 3.54Å; F205-H277 VanDerWaalsContact CA-O 3.31Å; F205-H277 WeakPolarHBondContact CA-O 3.48Å; F205-H277 WeakPolarHBondContact CB-O 3.39Å; F205-L278 HydrophobicContact CB-CD2 3.88Å | ||
| 206 | G | 96.6 | Very high | 78.6 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 139.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | A223 V276 H277 | G206-A223 CarbonylContact C-O 3.6Å; G206-A223 VanDerWaalsContact CA-O 3.28Å; G206-A223 WeakPolarHBondContact CA-O 3.06Å; G206-V276 CarbonylContact O-C 3.11Å; G206-V276 WeakPolarHBondContact O-CA 3.3Å; G206-H277 PolarHBondContact N-O 2.93Å; G206-H277 PolarHBondContact O-N 3.25Å |
| 207 | L | 97.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.5 | 170.2 | 179.4 | 65.7 | 0 | 0 | 0 | 109 | L183 F205 L221 A222 A223 A240 A242 V276 | L183-L207 HydrophobicContact CD2-CD1 3.63Å; F205-L207 HydrophobicContact CE2-CB 4.3Å; L207-L221 HydrophobicContact CD2-CD2 4.18Å; L207-A222 CarbonylContact O-C 3.56Å; L207-A222 VanDerWaalsContact O-CA 3.23Å; L207-A222 WeakPolarHBondContact O-CA 3.14Å; L207-A223 PolarHBondContact N-O 3.42Å; L207-A223 PolarHBondContact O-N 2.83Å; L207-A240 HydrophobicContact CD2-CB 3.59Å; L207-A242 HydrophobicContact CB-CB 4.43Å; L207-A242 HydrophobicContact CD2-CB 3.64Å; L207-V276 HydrophobicContact CD1-CG2 4.41Å |
| 208 | E | 97.1 | Very high | 82.2 | Confident | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.075 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126 | 175.7 | -168.6 | 179.5 | 164.9 | 0 | 0 | 110.8 | W108 R210 L219 A274 T275 H277 | W108-E208 HydrophobicContact CH2-CB 4.15Å; W108-E208 HydrophobicContact CZ2-CB 3.84Å; W108-E208 HydrophobicContact CZ2-CG 3.98Å; E208-R210 HydrophobicContact CG-CG 4.06Å; E208-R210 WeakPolarHBondContact OE1-CD 3.4Å; E208-R210 WeakPolarHBondContact OE1-CG 3.41Å; E208-R210 IonicContact OE1-CZ 2.73Å; E208-R210 IonicContact OE1-NE 2.75Å; E208-R210 IonicContact OE1-NH1 2.62Å; E208-R210 PolarHBondContact OE1-NH1 3.3Å; E208-L219 HydrophobicContact CG-CD1 3.5Å; E208-A274 CarbonylContact O-C 3.58Å; E208-A274 WeakPolarHBondContact O-CA 3.17Å; E208-T275 PolarHBondContact N-O 3.32Å; E208-T275 PolarHBondContact O-N 3.48Å; E208-H277 IonicContact OE2-CE1 3.78Å; E208-H277 IonicContact OE2-NE2 2.64Å; E208-H277 PolarHBondContact OE2-NE2 3.23Å |
| 209 | W | 97.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.7 | 170.9 | -81.2 | 93.6 | 0 | 0 | 0 | 110.3 | L181 L183 L220 L221 G257 F259 Y272 L273 A274 L287 | L181-W209 HydrophobicContact CB-CH2 3.66Å; L181-W209 HydrophobicContact CB-CZ2 4.39Å; L181-W209 HydrophobicContact CB-CZ3 4.09Å; L181-W209 HydrophobicContact CD1-CE3 4.34Å; L181-W209 HydrophobicContact CD1-CH2 4.16Å; L181-W209 HydrophobicContact CD1-CZ3 3.69Å; L183-W209 HydrophobicContact CB-CH2 4.49Å; L183-W209 HydrophobicContact CB-CZ2 3.82Å; L183-W209 HydrophobicContact CD2-CZ2 3.93Å; L183-W209 HydrophobicContact CG-CZ2 4.33Å; W209-L220 PolarHBondContact O-N 3.34Å; W209-L221 HydrophobicContact CB-CB 4.31Å; W209-L221 PolarHBondContact N-O 2.85Å; W209-L221 PolarHBondContact O-N 2.85Å; W209-G257 PolarHBondContact NE1-O 2.98Å; W209-F259 HydrophobicContact CB-CD2 3.89Å; W209-F259 HydrophobicContact CB-CE2 3.93Å; W209-F259 AromaticContact CD1-CD2 3.74Å; W209-F259 HydrophobicContact CD2-CB 3.66Å; W209-F259 AromaticContact CD2-CD2 3.96Å; W209-F259 HydrophobicContact CD2-CD2 3.96Å; W209-F259 AromaticContact CD2-CG 3.84Å; W209-F259 HydrophobicContact CD2-CG 3.84Å; W209-F259 HydrophobicContact CE3-CB 4.16Å; W209-F259 HydrophobicContact CE3-CD1 4.49Å; W209-F259 HydrophobicContact CE3-CG 4.23Å; W209-F259 HydrophobicContact CG-CB 4.1Å; W209-F259 AromaticContact CG-CD2 3.57Å; W209-F259 HydrophobicContact CG-CD2 3.57Å; W209-F259 HydrophobicContact CG-CE2 4.14Å; W209-F259 AromaticContact CG-CG 3.99Å; W209-F259 HydrophobicContact CG-CG 3.99Å; W209-F259 HydrophobicContact CH2-CB 4Å; W209-F259 HydrophobicContact CZ2-CB 3.48Å; W209-F259 VanDerWaalsContact CZ2-CB 3.48Å; W209-F259 HydrophobicContact CZ2-CG 4.5Å; W209-F259 HydrophobicContact CZ3-CB 4.32Å; W209-Y272 HydrophobicContact CE3-CD1 4.37Å; W209-L273 WeakPolarHBondContact CA-O 3.43Å; W209-A274 HydrophobicContact CD2-CB 3.91Å; W209-A274 HydrophobicContact CE3-CB 3.88Å; W209-A274 HydrophobicContact CH2-CB 3.64Å; W209-A274 HydrophobicContact CZ2-CB 3.64Å; W209-A274 HydrophobicContact CZ3-CB 3.75Å; W209-L287 HydrophobicContact CH2-CD1 3.97Å; W209-L287 HydrophobicContact CH2-CD2 4.29Å; W209-L287 HydrophobicContact CZ3-CD1 3.99Å |
| 210 | R | 95.2 | Very high | 86.8 | Confident | 80 Ų | 80 | 52 Ų | 52 | 30% | 0.302 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149.3 | 176.8 | -50.1 | -178.7 | 75.8 | 92 | -0.7 | 110.7 | E208 G217 H218 L219 Y272 L273 | E208-R210 HydrophobicContact CG-CG 4.06Å; E208-R210 WeakPolarHBondContact OE1-CD 3.4Å; E208-R210 WeakPolarHBondContact OE1-CG 3.41Å; E208-R210 IonicContact OE1-CZ 2.73Å; E208-R210 IonicContact OE1-NE 2.75Å; E208-R210 IonicContact OE1-NH1 2.62Å; E208-R210 PolarHBondContact OE1-NH1 3.3Å; R210-G217 PolarHBondContact NH2-O 3.03Å; R210-H218 CarbonylContact C-O 3.57Å; R210-H218 WeakPolarHBondContact CA-O 3.35Å; R210-L219 HydrophobicContact CG-CD1 4.21Å; R210-Y272 CarbonylContact O-C 3.6Å; R210-Y272 VanDerWaalsContact O-CA 3.32Å; R210-Y272 WeakPolarHBondContact O-CA 3.49Å; R210-L273 HydrophobicContact CB-CB 4.42Å; R210-L273 PolarHBondContact N-O 3.17Å; R210-L273 PolarHBondContact O-N 3.08Å |
| 211 | R | 94.3 | Very high | 88.2 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.4 | 165.2 | -176.9 | 174.9 | 67.5 | -134.3 | -2.7 | 110 | G217 H218 L220 E236 Q268 V271 Y272 | R211-G217 CarbonylContact O-C 3.52Å; R211-G217 WeakPolarHBondContact O-CA 3.4Å; R211-H218 PolarHBondContact N-O 2.61Å; R211-H218 PolarHBondContact O-N 3.22Å; R211-L220 HydrophobicContact CB-CD1 3.86Å; R211-L220 HydrophobicContact CB-CG 4.31Å; R211-E236 IonicContact CZ-OE1 3.01Å; R211-E236 IonicContact CZ-OE2 3.18Å; R211-E236 IonicContact NH1-OE1 3.68Å; R211-E236 PolarHBondContact NH1-OE1 2.92Å; R211-E236 VanDerWaalsContact NH1-OE1 3.12Å; R211-E236 IonicContact NH1-OE2 3.01Å; R211-E236 PolarHBondContact NH1-OE2 3.42Å; R211-E236 IonicContact NH2-OE1 3.83Å; R211-E236 PolarHBondContact NH2-OE1 3Å; R211-E236 IonicContact NH2-OE2 2.91Å; R211-Q268 WeakPolarHBondContact CD-O 3.3Å; R211-V271 CarbonylContact C-O 3.47Å; R211-V271 WeakPolarHBondContact CA-O 3.27Å; R211-Y272 HydrophobicContact CB-CD1 4.47Å; R211-Y272 HydrophobicContact CB-CE1 4.32Å; R211-Y272 HydrophobicContact CG-CD2 4.37Å; R211-Y272 HydrophobicContact CG-CE2 4.03Å; R211-Y272 PolarHBondContact NH1-OH 2.95Å |
| 212 | Q | 88.4 | Confident | 89.1 | Confident | 86 Ų | 86 | 49.6 Ų | 49.6 | 40% | 0.402 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118.3 | 172.7 | -168.5 | 175.6 | 11.6 | 0 | 0 | 109.5 | V271 L273 | Q212-V271 PolarHBondContact N-O 2.73Å; Q212-L273 HydrophobicContact CB-CD1 4.47Å |
| 213 | H | 74.3 | Confident | 89.4 | Confident | 89 Ų | 89 | 49.5 Ų | 49.5 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 125.5 | 175 | 178.1 | -108.2 | 0 | 0 | 0 | 109.2 | G215 K216 | H213-G215 VanDerWaalsContact C-N 3.28Å; H213-G215 PolarHBondContact O-N 2.96Å; H213-K216 PolarHBondContact N-O 2.9Å; H213-K216 VanDerWaalsContact N-O 3.08Å; H213-K216 PolarHBondContact O-N 2.92Å; H213-K216 VanDerWaalsContact O-N 3.09Å |
| 214 | R | 68.6 | Low | 89.6 | Confident | 224 Ų | 224 | 48.4 Ų | 48.4 | 85% | 0.845 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 43.9 | -178.4 | -59.3 | 177.9 | -178.9 | -173.5 | -2.9 | 113.4 | K216 | R214-K216 VanDerWaalsContact C-N 3.26Å; R214-K216 PolarHBondContact O-N 3.37Å |
| 215 | G | 67.4 | Low | 89.6 | Confident | 66 Ų | 66 | 47.9 Ų | 47.9 | 68% | 0.68 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | -2.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | H213 | H213-G215 VanDerWaalsContact C-N 3.28Å; H213-G215 PolarHBondContact O-N 2.96Å |
| 216 | K | 73.3 | Confident | 89.2 | Confident | 150 Ų | 150 | 51.3 Ų | 51.3 | 65% | 0.652 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.5 | 175.2 | -65.1 | -176.8 | -178.1 | -179 | 0 | 110.6 | H213 R214 H218 | H213-K216 PolarHBondContact N-O 2.9Å; H213-K216 VanDerWaalsContact N-O 3.08Å; H213-K216 PolarHBondContact O-N 2.92Å; H213-K216 VanDerWaalsContact O-N 3.09Å; R214-K216 VanDerWaalsContact C-N 3.26Å; R214-K216 PolarHBondContact O-N 3.37Å; K216-H218 PolarHBondContact O-ND1 3.5Å |
| 217 | G | 79.8 | Confident | 88.8 | Confident | 32 Ų | 32 | 54.2 Ų | 54.2 | 33% | 0.33 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 112.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R210 R211 | R210-G217 PolarHBondContact NH2-O 3.03Å; R211-G217 CarbonylContact O-C 3.52Å; R211-G217 WeakPolarHBondContact O-CA 3.4Å |
| 218 | H | 89.7 | Confident | 88.2 | Confident | 100 Ų | 100 | 59.4 Ų | 59.4 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 128.7 | 176.1 | -59.9 | 79.8 | 0 | 0 | 0 | 109.7 | R210 R211 K216 L220 | R210-H218 CarbonylContact C-O 3.57Å; R210-H218 WeakPolarHBondContact CA-O 3.35Å; R211-H218 PolarHBondContact N-O 2.61Å; R211-H218 PolarHBondContact O-N 3.22Å; K216-H218 PolarHBondContact O-ND1 3.5Å; H218-L220 PolarHBondContact O-N 2.9Å |
| 219 | L | 94.1 | Very high | 87.4 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 22% | 0.22 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 124.6 | 173.7 | -179.4 | 67.9 | 0 | 0 | 0 | 109.2 | E208 R210 A222 P232 Q235 | E208-L219 HydrophobicContact CG-CD1 3.5Å; R210-L219 HydrophobicContact CG-CD1 4.21Å; L219-A222 HydrophobicContact CD1-CB 4.28Å; L219-A222 HydrophobicContact CD2-CB 4.19Å; L219-P232 HydrophobicContact CD2-CB 3.72Å; L219-P232 HydrophobicContact CD2-CG 3.8Å; L219-Q235 WeakPolarHBondContact O-CG 3.42Å |
| 220 | L | 95.6 | Very high | 86.9 | Confident | 3 Ų | 3 | 72.1 Ų | 72.1 | 2% | 0.016 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -42.8 | 178.3 | -63.9 | -179.1 | 0 | 0 | 0 | 111.8 | W209 R211 H218 A234 Q235 F259 Y272 | W209-L220 PolarHBondContact O-N 3.34Å; R211-L220 HydrophobicContact CB-CD1 3.86Å; R211-L220 HydrophobicContact CB-CG 4.31Å; H218-L220 PolarHBondContact O-N 2.9Å; L220-A234 CarbonylContact O-C 3.59Å; L220-A234 WeakPolarHBondContact O-CA 3.36Å; L220-Q235 HydrophobicContact CD2-CB 4.09Å; L220-Q235 PolarHBondContact O-N 2.91Å; L220-F259 HydrophobicContact CB-CE2 4.22Å; L220-F259 HydrophobicContact CB-CZ 4Å; L220-F259 HydrophobicContact CD1-CE1 4.3Å; L220-F259 HydrophobicContact CD1-CZ 3.83Å; L220-Y272 HydrophobicContact CD1-CD1 3.93Å; L220-Y272 HydrophobicContact CD1-CE1 3.39Å |
| 221 | L | 96.8 | Very high | 86.7 | Confident | 15 Ų | 15 | 70.9 Ų | 70.9 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 140 | -179.1 | -176.6 | 148.4 | 0 | 0 | 0 | 109.9 | L207 W209 A223 T239 A240 F259 | L207-L221 HydrophobicContact CD2-CD2 4.18Å; W209-L221 HydrophobicContact CB-CB 4.31Å; W209-L221 PolarHBondContact N-O 2.85Å; W209-L221 PolarHBondContact O-N 2.85Å; L221-A223 HydrophobicContact CD2-CB 4.38Å; L221-T239 VanDerWaalsContact CD1-C 3.44Å; L221-A240 HydrophobicContact CD1-CB 3.8Å; L221-A240 HydrophobicContact CD2-CB 3.79Å; L221-A240 HydrophobicContact CG-CB 4.47Å; L221-F259 HydrophobicContact CB-CD2 4.41Å; L221-F259 HydrophobicContact CB-CE2 3.93Å; L221-F259 HydrophobicContact CD1-CE2 4.45Å |
| 222 | A | 96.5 | Very high | 86.7 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 7% | 0.074 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 137.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | W108 L207 L219 P232 | W108-A222 HydrophobicContact CD2-CB 3.94Å; W108-A222 HydrophobicContact CE3-CB 4.28Å; W108-A222 HydrophobicContact CG-CB 4.45Å; W108-A222 HydrophobicContact CH2-CB 4.29Å; W108-A222 HydrophobicContact CZ2-CB 3.95Å; W108-A222 HydrophobicContact CZ3-CB 4.44Å; L207-A222 CarbonylContact O-C 3.56Å; L207-A222 VanDerWaalsContact O-CA 3.23Å; L207-A222 WeakPolarHBondContact O-CA 3.14Å; L219-A222 HydrophobicContact CD1-CB 4.28Å; L219-A222 HydrophobicContact CD2-CB 4.19Å; A222-P232 HydrophobicContact CB-CG 4.08Å |
| 223 | A | 95.4 | Very high | 86.9 | Confident | 25 Ų | 25 | 72.5 Ų | 72.5 | 21% | 0.207 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 154.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G206 L207 L221 | G206-A223 CarbonylContact C-O 3.6Å; G206-A223 VanDerWaalsContact CA-O 3.28Å; G206-A223 WeakPolarHBondContact CA-O 3.06Å; L207-A223 PolarHBondContact N-O 3.42Å; L207-A223 PolarHBondContact O-N 2.83Å; L221-A223 HydrophobicContact CD2-CB 4.38Å |
| 224 | T | 95 | Very high | 87.9 | Confident | 8 Ų | 8 | 70.8 Ų | 70.8 | 5% | 0.049 | 42% | 0.419 | C | S | . | . | trans | -131 | 74.6 | 172 | 44.5 | 0 | 0 | 0 | 0 | 110.9 | W108 L112 F205 G226 L227 M231 | W108-T224 HydrophobicContact CE3-CG2 3.83Å; W108-T224 HydrophobicContact CZ3-CG2 3.66Å; L112-T224 HydrophobicContact CD1-CG2 4.43Å; L112-T224 HydrophobicContact CD2-CG2 4.45Å; L112-T224 HydrophobicContact CG-CG2 4.39Å; F205-T224 CarbonylContact O-C 3.58Å; F205-T224 VanDerWaalsContact O-CA 3.23Å; F205-T224 WeakPolarHBondContact O-CA 3.34Å; T224-G226 PolarHBondContact O-N 3.33Å; T224-L227 PolarHBondContact O-N 2.75Å; T224-L227 VanDerWaalsContact O-O 3.07Å; T224-M231 HydrophobicContact CG2-CE 4.1Å; T224-M231 HydrophobicContact CG2-SD 4.09Å; T224-M231 WeakPolarHBondContact OG1-CE 3.49Å; T224-M231 PolarHBondContact OG1-SD 2.96Å | ||
| 225 | P | 93 | Very high | 89.1 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 136.6 | 177.4 | -25.1 | 36.7 | 0 | 0 | 0 | 111.5 | F205 L227 A242 | F205-P225 HydrophobicContact CD1-CB 4.32Å; F205-P225 HydrophobicContact CE1-CB 3.71Å; F205-P225 HydrophobicContact CE1-CG 3.83Å; F205-P225 HydrophobicContact CE2-CG 4.1Å; F205-P225 HydrophobicContact CZ-CB 4.01Å; F205-P225 HydrophobicContact CZ-CG 3.59Å; F205-P225 PolarHBondContact N-O 3.28Å; F205-P225 VanDerWaalsContact O-CD 3.22Å; F205-P225 WeakPolarHBondContact O-CD 3.39Å; P225-L227 VanDerWaalsContact C-N 3.33Å; P225-A242 HydrophobicContact CG-CB 3.71Å; P225-A242 WeakPolarHBondContact CG-O 3.24Å |
| 226 | G | 86.4 | Confident | 90.3 | Very high | 72 Ų | 72 | 64.6 Ų | 64.6 | 74% | 0.742 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | -8.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T224 | T224-G226 PolarHBondContact O-N 3.33Š|
| 227 | L | 89.1 | Confident | 91.3 | Very high | 61 Ų | 61 | 66 Ų | 66 | 32% | 0.319 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -125.7 | 135 | 173.8 | -70.4 | 170.5 | 0 | 0 | 0 | 111.8 | S111 L112 P204 T224 P225 G229 | S111-L227 WeakPolarHBondContact O-CD1 3.45Å; L112-L227 HydrophobicContact CD2-CD1 3.74Å; L112-L227 HydrophobicContact CG-CD1 4.39Å; P204-L227 HydrophobicContact CB-CD1 3.74Å; P204-L227 HydrophobicContact CB-CD2 4.39Å; P204-L227 HydrophobicContact CB-CG 3.58Å; P204-L227 HydrophobicContact CG-CD1 4.28Å; P204-L227 HydrophobicContact CG-CD2 4.12Å; P204-L227 HydrophobicContact CG-CG 3.86Å; T224-L227 PolarHBondContact O-N 2.75Å; T224-L227 VanDerWaalsContact O-O 3.07Å; P225-L227 VanDerWaalsContact C-N 3.33Å; L227-G229 PolarHBondContact O-N 2.92Å |
| 228 | A | 83.9 | Confident | 92 | Very high | 110 Ų | 110 | 64.6 Ų | 64.6 | 91% | 0.909 | 37% | 0.374 | S | S | * | . | trans | -79.3 | 118 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 229 | G | 80.9 | Confident | 92.3 | Very high | 43 Ų | 43 | 62.9 Ų | 62.9 | 44% | 0.443 | 37% | 0.37 | S | S | . | . | trans | -158.7 | 156.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L227 M231 | L227-G229 PolarHBondContact O-N 2.92Å; G229-M231 PolarHBondContact O-N 3.03Å | ||
| 230 | R | 86.4 | Confident | 92.5 | Very high | 240 Ų | 240 | 62.2 Ų | 62.2 | 91% | 0.906 | 37% | 0.371 | S | S | * | . | trans | -74.6 | 108.4 | 174.3 | -174.9 | 176.5 | -179.2 | 178.1 | 1.1 | 109.4 | ||||
| 231 | M | 92.6 | Very high | 92.5 | Very high | 53 Ų | 53 | 67.9 Ų | 67.9 | 26% | 0.261 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 149.6 | 177.5 | -62.8 | -60.1 | 111.1 | 0 | 0 | 111.9 | W108 T224 G229 | W108-M231 HydrophobicContact CE3-SD 4.01Å; T224-M231 HydrophobicContact CG2-CE 4.1Å; T224-M231 HydrophobicContact CG2-SD 4.09Å; T224-M231 WeakPolarHBondContact OG1-CE 3.49Å; T224-M231 PolarHBondContact OG1-SD 2.96Å; G229-M231 PolarHBondContact O-N 3.03Å |
| 232 | P | 93.2 | Very high | 92.5 | Very high | 41 Ų | 41 | 68.3 Ų | 68.3 | 27% | 0.266 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 144.9 | 166.5 | -24.2 | 34.1 | 0 | 0 | 0 | 111.6 | W108 L219 A222 A234 | W108-P232 HydrophobicContact CB-CG 4.12Å; W108-P232 HydrophobicContact CG-CG 3.97Å; L219-P232 HydrophobicContact CD2-CB 3.72Å; L219-P232 HydrophobicContact CD2-CG 3.8Å; A222-P232 HydrophobicContact CB-CG 4.08Å; P232-A234 PolarHBondContact O-N 3.46Å |
| 233 | P | 93.1 | Very high | 92.5 | Very high | 105 Ų | 105 | 70.2 Ų | 70.2 | 68% | 0.682 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 131.9 | 178.2 | 28 | -33.7 | 0 | 0 | 0 | 110.8 | Q235 | P233-Q235 PolarHBondContact O-NE2 2.89Å; P233-Q235 VanDerWaalsContact O-NE2 3.12Å |
| 234 | A | 94.6 | Very high | 92.5 | Very high | 53 Ų | 53 | 71 Ų | 71 | 44% | 0.438 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 137.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | L220 P232 | L220-A234 CarbonylContact O-C 3.59Å; L220-A234 WeakPolarHBondContact O-CA 3.36Å; P232-A234 PolarHBondContact O-N 3.46Å |
| 235 | Q | 93.9 | Very high | 92.5 | Very high | 92 Ų | 92 | 74.1 Ų | 74.1 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -96.2 | 157.1 | 177.9 | -58.1 | -59.5 | -49.7 | 0 | 0 | 110.4 | L219 L220 P233 K237 A238 | L219-Q235 WeakPolarHBondContact O-CG 3.42Å; L220-Q235 HydrophobicContact CD2-CB 4.09Å; L220-Q235 PolarHBondContact O-N 2.91Å; P233-Q235 PolarHBondContact O-NE2 2.89Å; P233-Q235 VanDerWaalsContact O-NE2 3.12Å; Q235-K237 PolarHBondContact O-N 2.97Å; Q235-A238 VanDerWaalsContact O-CB 3.31Å; Q235-A238 WeakPolarHBondContact O-CB 3.43Å; Q235-A238 PolarHBondContact O-N 3.49Å |
| 236 | E | 93 | Very high | 92.4 | Very high | 67 Ų | 67 | 75.1 Ų | 75.1 | 31% | 0.313 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 24 | 171.5 | -55.2 | -177.7 | 176.3 | 0 | 0 | 114.2 | R211 A238 L261 Q268 | R211-E236 IonicContact CZ-OE1 3.01Å; R211-E236 IonicContact CZ-OE2 3.18Å; R211-E236 IonicContact NH1-OE1 3.68Å; R211-E236 PolarHBondContact NH1-OE1 2.92Å; R211-E236 VanDerWaalsContact NH1-OE1 3.12Å; R211-E236 IonicContact NH1-OE2 3.01Å; R211-E236 PolarHBondContact NH1-OE2 3.42Å; R211-E236 IonicContact NH2-OE1 3.83Å; R211-E236 PolarHBondContact NH2-OE1 3Å; R211-E236 IonicContact NH2-OE2 2.91Å; E236-A238 PolarHBondContact O-N 2.88Å; E236-A238 VanDerWaalsContact O-N 3.16Å; E236-L261 HydrophobicContact CB-CD1 3.84Å; E236-Q268 WeakPolarHBondContact OE2-CG 3.4Å; E236-Q268 PolarHBondContact OE2-NE2 3.37Å |
| 237 | K | 93.8 | Very high | 92.4 | Very high | 179 Ų | 179 | 78 Ų | 78 | 78% | 0.778 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 24.8 | -174.2 | -54.6 | 178.2 | -180 | -179.1 | 0 | 113.1 | Q235 P262 | Q235-K237 PolarHBondContact O-N 2.97Å; K237-P262 HydrophobicContact CB-CG 3.95Å |
| 238 | A | 95.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 80.5 Ų | 80.5 | 3% | 0.033 | 44% | 0.443 | C | S | . | . | trans | -69.2 | 147.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q235 E236 F259 W260 L261 | Q235-A238 VanDerWaalsContact O-CB 3.31Å; Q235-A238 WeakPolarHBondContact O-CB 3.43Å; Q235-A238 PolarHBondContact O-N 3.49Å; E236-A238 PolarHBondContact O-N 2.88Å; E236-A238 VanDerWaalsContact O-N 3.16Å; A238-F259 HydrophobicContact CB-CD2 4.43Å; A238-F259 HydrophobicContact CB-CE1 4.28Å; A238-F259 HydrophobicContact CB-CE2 3.4Å; A238-F259 VanDerWaalsContact CB-CE2 3.4Å; A238-F259 HydrophobicContact CB-CZ 3.3Å; A238-W260 VanDerWaalsContact CA-O 3.32Å; A238-W260 WeakPolarHBondContact CA-O 3.37Å; A238-L261 HydrophobicContact CB-CD1 4.04Å | ||
| 239 | T | 96.6 | Very high | 92.2 | Very high | 63 Ų | 63 | 77.9 Ų | 77.9 | 39% | 0.387 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 168.7 | 173.8 | 66 | 0 | 0 | 0 | 0 | 109.6 | L221 W260 | L221-T239 VanDerWaalsContact CD1-C 3.44Å; T239-W260 HydrophobicContact CG2-CE3 4.12Å; T239-W260 HydrophobicContact CG2-CZ3 4.3Å; T239-W260 PolarHBondContact N-O 2.68Å; T239-W260 PolarHBondContact O-N 3.36Å |
| 240 | A | 96.7 | Very high | 92.1 | Very high | 28 Ų | 28 | 82.5 Ų | 82.5 | 23% | 0.231 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 145.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | L207 L221 A242 T258 | L207-A240 HydrophobicContact CD2-CB 3.59Å; L221-A240 HydrophobicContact CD1-CB 3.8Å; L221-A240 HydrophobicContact CD2-CB 3.79Å; L221-A240 HydrophobicContact CG-CB 4.47Å; A240-A242 PolarHBondContact O-N 3.38Å; A240-T258 CarbonylContact C-O 3.57Å; A240-T258 WeakPolarHBondContact CA-O 3.37Å; A240-T258 WeakPolarHBondContact CB-O 3.26Å |
| 241 | F | 96.4 | Very high | 92 | Very high | 123 Ų | 123 | 72.1 Ų | 72.1 | 54% | 0.539 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 81.3 | 170.1 | -54.3 | -84.7 | 0 | 0 | 0 | 107.9 | N256 G257 T258 W260 | F241-N256 CarbonylContact O-C 3.55Å; F241-N256 PolarHBondContact O-OD1 2.64Å; F241-G257 WeakPolarHBondContact O-CA 3.3Å; F241-G257 PolarHBondContact O-N 3.5Å; F241-T258 WeakPolarHBondContact CB-OG1 3.25Å; F241-T258 VanDerWaalsContact CD2-OG1 3.3Å; F241-T258 WeakPolarHBondContact CD2-OG1 3.5Å; F241-T258 PolarHBondContact N-O 2.91Å; F241-W260 HydrophobicContact CE2-CB 4.29Å |
| 242 | A | 96.2 | Very high | 91.9 | Very high | 23 Ų | 23 | 72.2 Ų | 72.2 | 19% | 0.19 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 98.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F205 L207 P225 A240 N256 | F205-A242 HydrophobicContact CE2-CB 4.36Å; F205-A242 HydrophobicContact CZ-CB 4.18Å; L207-A242 HydrophobicContact CB-CB 4.43Å; L207-A242 HydrophobicContact CD2-CB 3.64Å; P225-A242 HydrophobicContact CG-CB 3.71Å; P225-A242 WeakPolarHBondContact CG-O 3.24Å; A240-A242 PolarHBondContact O-N 3.38Å; A242-N256 VanDerWaalsContact CA-O 3.29Å; A242-N256 WeakPolarHBondContact CA-O 3.49Å |
| 243 | A | 96.5 | Very high | 92 | Very high | 50 Ų | 50 | 71 Ų | 71 | 41% | 0.413 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 158.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G255 N256 | A243-G255 CarbonylContact O-C 3.51Å; A243-G255 VanDerWaalsContact O-CA 3.27Å; A243-G255 WeakPolarHBondContact O-CA 3.2Å; A243-N256 PolarHBondContact N-O 3.36Å; A243-N256 VanDerWaalsContact N-O 3.08Å; A243-N256 PolarHBondContact O-N 3.5Å |
| 244 | W | 96.3 | Very high | 92.2 | Very high | 42 Ų | 42 | 67.7 Ų | 67.7 | 16% | 0.159 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 148.7 | 160.4 | -64.3 | 111 | 0 | 0 | 0 | 109.6 | F185 Y187 P202 P203 F205 W253 L278 | F185-W244 HydrophobicContact CD2-CH2 4.03Å; F185-W244 AromaticContact CD2-CZ3 3.9Å; F185-W244 HydrophobicContact CD2-CZ3 3.9Å; F185-W244 HydrophobicContact CE2-CD2 4.28Å; F185-W244 AromaticContact CE2-CE3 3.83Å; F185-W244 HydrophobicContact CE2-CE3 3.83Å; F185-W244 AromaticContact CE2-CH2 3.43Å; F185-W244 HydrophobicContact CE2-CH2 3.43Å; F185-W244 VanDerWaalsContact CE2-CH2 3.43Å; F185-W244 AromaticContact CE2-CZ2 3.9Å; F185-W244 HydrophobicContact CE2-CZ2 3.9Å; F185-W244 AromaticContact CE2-CZ3 3.37Å; F185-W244 HydrophobicContact CE2-CZ3 3.37Å; F185-W244 HydrophobicContact CZ-CE3 4.33Å; F185-W244 HydrophobicContact CZ-CH2 4.49Å; F185-W244 HydrophobicContact CZ-CZ3 4.3Å; Y187-W244 HydrophobicContact CD1-CH2 4.48Å; Y187-W244 HydrophobicContact CG-CH2 4.48Å; P202-W244 HydrophobicContact CB-CB 4.28Å; P202-W244 VanDerWaalsContact CB-CD1 3.46Å; P202-W244 HydrophobicContact CB-CD2 3.72Å; P202-W244 HydrophobicContact CB-CE3 4.46Å; P202-W244 HydrophobicContact CB-CG 3.59Å; P202-W244 HydrophobicContact CB-CZ2 4.38Å; P202-W244 HydrophobicContact CG-CB 3.91Å; P202-W244 VanDerWaalsContact CG-CD1 3.44Å; P202-W244 HydrophobicContact CG-CD2 4.3Å; P202-W244 HydrophobicContact CG-CG 3.63Å; P203-W244 HydrophobicContact CG-CZ2 4.28Å; P203-W244 PolarHBondContact O-NE1 3.3Å; F205-W244 HydrophobicContact CB-CZ2 4.31Å; F205-W244 HydrophobicContact CD1-CD2 4.46Å; F205-W244 AromaticContact CD1-CE2 3.71Å; F205-W244 HydrophobicContact CD1-CZ2 4.09Å; F205-W244 AromaticContact CD1-NE1 3.4Å; F205-W244 HydrophobicContact CE1-CG 4.44Å; F205-W244 AromaticContact CE1-NE1 3.85Å; F205-W244 HydrophobicContact CG-CZ2 4.47Å; W244-W253 HydrophobicContact CD2-CB 4.28Å; W244-W253 HydrophobicContact CE3-CB 3.51Å; W244-W253 HydrophobicContact CH2-CB 4.35Å; W244-W253 HydrophobicContact CZ3-CB 3.55Å; W244-L278 HydrophobicContact CZ2-CD2 4.24Å |
| 245 | D | 95.1 | Very high | 92.3 | Very high | 72 Ų | 72 | 65.2 Ų | 65.2 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -78.3 | -30.1 | -179.5 | -63.5 | -41.5 | 0 | 0 | 0 | 112 | R184 T254 | R184-D245 IonicContact CZ-OD1 2.7Å; R184-D245 IonicContact CZ-OD2 3.84Å; R184-D245 VanDerWaalsContact CZ-OD2 3.27Å; R184-D245 IonicContact NH1-OD1 3.79Å; R184-D245 PolarHBondContact NH1-OD1 3Å; R184-D245 IonicContact NH1-OD2 3.35Å; R184-D245 PolarHBondContact NH1-OD2 3.49Å; R184-D245 IonicContact NH2-OD1 3.12Å; R184-D245 IonicContact NH2-OD2 3.92Å; R184-D245 PolarHBondContact NH2-OD2 3.16Å; D245-T254 WeakPolarHBondContact CB-O 3.48Å; D245-T254 PolarHBondContact N-O 3.45Å; D245-T254 VanDerWaalsContact OD2-C 3.3Å; D245-T254 WeakPolarHBondContact OD2-CB 3.32Å; D245-T254 PolarHBondContact OD2-OG1 3.35Å |
| 246 | D | 89.8 | Confident | 92.5 | Very high | 56 Ų | 56 | 62.7 Ų | 62.7 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | trans | -142.3 | 166 | 179.1 | 61.2 | 72.8 | 0 | 0 | 0 | 110.9 | E248 | D246-E248 HydrophobicContact CB-CG 4.32Å; D246-E248 WeakPolarHBondContact OD1-CG 3.38Å; D246-E248 PolarHBondContact OD1-N 3.04Å | ||
| 247 | D | 87.6 | Confident | 92.7 | Very high | 133 Ų | 133 | 59.5 Ų | 59.5 | 71% | 0.711 | 32% | 0.315 | S | S | * | . | trans | -115.8 | 31.4 | 179.2 | 62.4 | -21.8 | 0 | 0 | 0 | 112.2 | ||||
| 248 | E | 86.4 | Confident | 92.9 | Very high | 113 Ų | 113 | 51.5 Ų | 51.5 | 53% | 0.528 | 28% | 0.282 | S | S | . | . | trans | -55.6 | 140.6 | -178 | -72 | -64.5 | 150.9 | 0 | 0 | 111.3 | D246 W250 W253 | D246-E248 HydrophobicContact CB-CG 4.32Å; D246-E248 WeakPolarHBondContact OD1-CG 3.38Å; D246-E248 PolarHBondContact OD1-N 3.04Å; E248-W250 PolarHBondContact O-N 2.58Å; E248-W250 VanDerWaalsContact O-N 3.1Å; E248-W253 PolarHBondContact O-NE1 3.09Å | ||
| 249 | P | 81.6 | Confident | 93 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 36% | 0.357 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -71.4 | -13.6 | -168.6 | -17.3 | 29.7 | 0 | 0 | 0 | 114.9 | A200 | A200-P249 VanDerWaalsContact O-O 3.07Š|
| 250 | W | 79.1 | Confident | 93.1 | Very high | 140 Ų | 140 | 51.9 Ų | 51.9 | 53% | 0.53 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -126.4 | -10.8 | -164 | -59.3 | 111.5 | 0 | 0 | 0 | 114.1 | P196 E248 | P196-W250 HydrophobicContact CB-CE3 4.11Å; P196-W250 HydrophobicContact CB-CH2 3.25Å; P196-W250 HydrophobicContact CB-CZ3 2.96Å; P196-W250 HydrophobicContact CG-CE3 4.4Å; P196-W250 HydrophobicContact CG-CH2 3.2Å; P196-W250 HydrophobicContact CG-CZ3 3.11Å; E248-W250 PolarHBondContact O-N 2.58Å; E248-W250 VanDerWaalsContact O-N 3.1Å |
| 251 | G | 83.6 | Confident | 93.1 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | trans | 58.7 | -170.6 | -168 | 0 | 0 | 0 | 0 | 0 | 112.9 | W253 | G251-W253 VanDerWaalsContact CA-CE2 3.45Å; G251-W253 VanDerWaalsContact N-CZ2 3.3Å | ||
| 252 | P | 92.1 | Very high | 93.1 | Very high | 56 Ų | 56 | 45.9 Ų | 45.9 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | cis | -64.1 | 154.1 | -3.8 | 29.8 | -36.2 | 0 | 0 | 0 | 112.2 | A75 Y187 A188 | A75-P252 HydrophobicContact CB-CB 3.68Å; A75-P252 HydrophobicContact CB-CG 4.2Å; Y187-P252 CarbonylContact O-C 3.57Å; Y187-P252 WeakPolarHBondContact O-CA 3.5Å; Y187-P252 WeakPolarHBondContact O-CB 3.44Å; A188-P252 HydrophobicContact CB-CB 3.98Å | ||
| 253 | W | 94.6 | Very high | 93 | Very high | 14 Ų | 14 | 47 Ų | 47 | 5% | 0.053 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 147.7 | -179.2 | -57.4 | -81.1 | 0 | 0 | 0 | 111.4 | A186 Y187 P189 P202 W244 E248 G251 | A186-W253 CarbonylContact C-O 3.49Å; A186-W253 VanDerWaalsContact CA-O 3.29Å; A186-W253 WeakPolarHBondContact CA-O 3.44Å; Y187-W253 AromaticContact CD1-CE3 3.79Å; Y187-W253 HydrophobicContact CD1-CE3 3.79Å; Y187-W253 AromaticContact CD1-CZ3 3.91Å; Y187-W253 HydrophobicContact CD1-CZ3 3.91Å; Y187-W253 HydrophobicContact CE1-CE3 4.34Å; Y187-W253 AromaticContact CE1-CZ3 3.99Å; Y187-W253 HydrophobicContact CE1-CZ3 3.99Å; Y187-W253 PolarHBondContact N-O 3.07Å; Y187-W253 PolarHBondContact O-N 3.35Å; P189-W253 HydrophobicContact CB-CZ3 4.31Å; P189-W253 HydrophobicContact CG-CH2 4.11Å; P189-W253 HydrophobicContact CG-CZ3 3.73Å; P202-W253 HydrophobicContact CB-CB 4.31Å; P202-W253 HydrophobicContact CB-CD2 3.74Å; P202-W253 HydrophobicContact CB-CE3 4.42Å; P202-W253 HydrophobicContact CB-CG 3.68Å; P202-W253 HydrophobicContact CB-CZ2 4.48Å; W244-W253 HydrophobicContact CD2-CB 4.28Å; W244-W253 HydrophobicContact CE3-CB 3.51Å; W244-W253 HydrophobicContact CH2-CB 4.35Å; W244-W253 HydrophobicContact CZ3-CB 3.55Å; E248-W253 PolarHBondContact O-NE1 3.09Å; G251-W253 VanDerWaalsContact CA-CE2 3.45Å; G251-W253 VanDerWaalsContact N-CZ2 3.3Å |
| 254 | T | 96.9 | Very high | 92.9 | Very high | 37 Ų | 37 | 44.7 Ų | 44.7 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 149 | 167.3 | 61.9 | 0 | 0 | 0 | 0 | 110.7 | M77 F185 A186 D245 | M77-T254 HydrophobicContact CE-CG2 4.31Å; F185-T254 CarbonylContact O-C 3.57Å; F185-T254 WeakPolarHBondContact O-CA 3.3Å; A186-T254 HydrophobicContact CB-CG2 4.09Å; D245-T254 WeakPolarHBondContact CB-O 3.48Å; D245-T254 PolarHBondContact N-O 3.45Å; D245-T254 VanDerWaalsContact OD2-C 3.3Å; D245-T254 WeakPolarHBondContact OD2-CB 3.32Å; D245-T254 PolarHBondContact OD2-OG1 3.35Å |
| 255 | G | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 162.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R184 F185 A243 | R184-G255 WeakPolarHBondContact CA-O 3.38Å; F185-G255 VanDerWaalsContact CE1-C 3.49Å; F185-G255 PolarHBondContact N-O 2.92Å; F185-G255 PolarHBondContact O-N 2.79Å; A243-G255 CarbonylContact O-C 3.51Å; A243-G255 VanDerWaalsContact O-CA 3.27Å; A243-G255 WeakPolarHBondContact O-CA 3.2Å |
| 256 | N | 97.6 | Very high | 92.6 | Very high | 39 Ų | 39 | 46 Ų | 46 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 138.6 | 176.7 | -162.7 | -26 | 0 | 0 | 0 | 109.5 | L183 F185 F241 A242 A243 T258 | L183-N256 PolarHBondContact O-OD1 2.66Å; F185-N256 WeakPolarHBondContact CE1-O 3.34Å; F241-N256 CarbonylContact O-C 3.55Å; F241-N256 PolarHBondContact O-OD1 2.64Å; A242-N256 VanDerWaalsContact CA-O 3.29Å; A242-N256 WeakPolarHBondContact CA-O 3.49Å; A243-N256 PolarHBondContact N-O 3.36Å; A243-N256 VanDerWaalsContact N-O 3.08Å; A243-N256 PolarHBondContact O-N 3.5Å; N256-T258 VanDerWaalsContact OD1-CB 3.26Å; N256-T258 WeakPolarHBondContact OD1-CB 3.4Å; N256-T258 WeakPolarHBondContact OD1-CG2 3.44Å; N256-T258 PolarHBondContact OD1-N 2.8Å; N256-T258 PolarHBondContact OD1-OG1 2.85Å |
| 257 | G | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 24.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L183 W209 F241 F259 | L183-G257 WeakPolarHBondContact CD2-O 3.44Å; L183-G257 PolarHBondContact O-N 3.22Å; W209-G257 PolarHBondContact NE1-O 2.98Å; F241-G257 WeakPolarHBondContact O-CA 3.3Å; F241-G257 PolarHBondContact O-N 3.5Å; G257-F259 PolarHBondContact O-N 3.37Å |
| 258 | T | 98.1 | Very high | 92.7 | Very high | 12 Ų | 12 | 42 Ų | 42 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 134.5 | -179 | 50.5 | 0 | 0 | 0 | 0 | 111 | L181 L183 A240 F241 N256 | L181-T258 CarbonylContact O-C 3.55Å; L181-T258 VanDerWaalsContact O-CA 3.31Å; L181-T258 WeakPolarHBondContact O-CA 2.97Å; L183-T258 PolarHBondContact O-N 2.79Å; A240-T258 CarbonylContact C-O 3.57Å; A240-T258 WeakPolarHBondContact CA-O 3.37Å; A240-T258 WeakPolarHBondContact CB-O 3.26Å; F241-T258 WeakPolarHBondContact CB-OG1 3.25Å; F241-T258 VanDerWaalsContact CD2-OG1 3.3Å; F241-T258 WeakPolarHBondContact CD2-OG1 3.5Å; F241-T258 PolarHBondContact N-O 2.91Å; N256-T258 VanDerWaalsContact OD1-CB 3.26Å; N256-T258 WeakPolarHBondContact OD1-CB 3.4Å; N256-T258 WeakPolarHBondContact OD1-CG2 3.44Å; N256-T258 PolarHBondContact OD1-N 2.8Å; N256-T258 PolarHBondContact OD1-OG1 2.85Å |
| 259 | F | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.8 | -176.3 | 178 | -100.7 | 0 | 0 | 0 | 111.3 | V180 L181 W209 L220 L221 A238 G257 L261 Y272 | V180-F259 CarbonylContact C-O 3.55Å; V180-F259 WeakPolarHBondContact CA-O 3.26Å; L181-F259 HydrophobicContact CB-CB 4.19Å; L181-F259 HydrophobicContact CD1-CD1 3.66Å; L181-F259 HydrophobicContact CD1-CE1 4.29Å; L181-F259 HydrophobicContact CG-CD1 4.02Å; L181-F259 PolarHBondContact N-O 3.33Å; L181-F259 PolarHBondContact O-N 3.47Å; W209-F259 HydrophobicContact CB-CD2 3.89Å; W209-F259 HydrophobicContact CB-CE2 3.93Å; W209-F259 AromaticContact CD1-CD2 3.74Å; W209-F259 HydrophobicContact CD2-CB 3.66Å; W209-F259 AromaticContact CD2-CD2 3.96Å; W209-F259 HydrophobicContact CD2-CD2 3.96Å; W209-F259 AromaticContact CD2-CG 3.84Å; W209-F259 HydrophobicContact CD2-CG 3.84Å; W209-F259 HydrophobicContact CE3-CB 4.16Å; W209-F259 HydrophobicContact CE3-CD1 4.49Å; W209-F259 HydrophobicContact CE3-CG 4.23Å; W209-F259 HydrophobicContact CG-CB 4.1Å; W209-F259 AromaticContact CG-CD2 3.57Å; W209-F259 HydrophobicContact CG-CD2 3.57Å; W209-F259 HydrophobicContact CG-CE2 4.14Å; W209-F259 AromaticContact CG-CG 3.99Å; W209-F259 HydrophobicContact CG-CG 3.99Å; W209-F259 HydrophobicContact CH2-CB 4Å; W209-F259 HydrophobicContact CZ2-CB 3.48Å; W209-F259 VanDerWaalsContact CZ2-CB 3.48Å; W209-F259 HydrophobicContact CZ2-CG 4.5Å; W209-F259 HydrophobicContact CZ3-CB 4.32Å; L220-F259 HydrophobicContact CB-CE2 4.22Å; L220-F259 HydrophobicContact CB-CZ 4Å; L220-F259 HydrophobicContact CD1-CE1 4.3Å; L220-F259 HydrophobicContact CD1-CZ 3.83Å; L221-F259 HydrophobicContact CB-CD2 4.41Å; L221-F259 HydrophobicContact CB-CE2 3.93Å; L221-F259 HydrophobicContact CD1-CE2 4.45Å; A238-F259 HydrophobicContact CB-CD2 4.43Å; A238-F259 HydrophobicContact CB-CE1 4.28Å; A238-F259 HydrophobicContact CB-CE2 3.4Å; A238-F259 VanDerWaalsContact CB-CE2 3.4Å; A238-F259 HydrophobicContact CB-CZ 3.3Å; G257-F259 PolarHBondContact O-N 3.37Å; F259-L261 HydrophobicContact CD1-CB 4.31Å; F259-L261 HydrophobicContact CE1-CB 3.77Å; F259-L261 HydrophobicContact CE1-CD1 4.27Å; F259-L261 HydrophobicContact CE1-CD2 4.45Å; F259-L261 HydrophobicContact CE1-CG 4.4Å; F259-L261 HydrophobicContact CZ-CD1 4.35Å; F259-Y272 HydrophobicContact CE1-CD1 4.35Å; F259-Y272 AromaticContact CE1-CE1 3.95Å; F259-Y272 HydrophobicContact CE1-CE1 3.95Å |
| 260 | W | 97.8 | Very high | 93.4 | Very high | 74 Ų | 74 | 37.5 Ų | 37.5 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.4 | 178.9 | 178.7 | 83.4 | 0 | 0 | 0 | 109.9 | D178 A179 A238 T239 F241 P262 | D178-W260 WeakPolarHBondContact OD2-CZ2 3.31Å; D178-W260 PolarHBondContact OD2-NE1 3.41Å; A179-W260 WeakPolarHBondContact O-CA 3.49Å; A238-W260 VanDerWaalsContact CA-O 3.32Å; A238-W260 WeakPolarHBondContact CA-O 3.37Å; T239-W260 HydrophobicContact CG2-CE3 4.12Å; T239-W260 HydrophobicContact CG2-CZ3 4.3Å; T239-W260 PolarHBondContact N-O 2.68Å; T239-W260 PolarHBondContact O-N 3.36Å; F241-W260 HydrophobicContact CE2-CB 4.29Å; W260-P262 HydrophobicContact CE3-CG 4.3Å; W260-P262 HydrophobicContact CH2-CB 3.54Å; W260-P262 HydrophobicContact CH2-CG 3.89Å; W260-P262 HydrophobicContact CZ2-CB 3.85Å; W260-P262 HydrophobicContact CZ3-CB 3.89Å; W260-P262 HydrophobicContact CZ3-CG 3.71Å |
| 261 | L | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 111.4 | 178.5 | -174.4 | 66 | 0 | 0 | 0 | 109.6 | D178 A179 E236 A238 F259 V264 Q268 Y272 L289 | D178-L261 CarbonylContact C-O 3.5Å; D178-L261 WeakPolarHBondContact CA-O 3.28Å; A179-L261 HydrophobicContact CB-CB 4.29Å; A179-L261 PolarHBondContact N-O 3.48Å; A179-L261 PolarHBondContact O-N 3.49Å; E236-L261 HydrophobicContact CB-CD1 3.84Å; A238-L261 HydrophobicContact CB-CD1 4.04Å; F259-L261 HydrophobicContact CD1-CB 4.31Å; F259-L261 HydrophobicContact CE1-CB 3.77Å; F259-L261 HydrophobicContact CE1-CD1 4.27Å; F259-L261 HydrophobicContact CE1-CD2 4.45Å; F259-L261 HydrophobicContact CE1-CG 4.4Å; F259-L261 HydrophobicContact CZ-CD1 4.35Å; L261-V264 HydrophobicContact CB-CG2 4.37Å; L261-V264 HydrophobicContact CD2-CG2 4.03Å; L261-V264 HydrophobicContact CG-CG2 4.13Å; L261-Q268 HydrophobicContact CD2-CB 4.34Å; L261-Y272 HydrophobicContact CD2-CE1 4.45Å; L261-Y272 VanDerWaalsContact CD2-OH 3.31Å; L261-Y272 WeakPolarHBondContact CD2-OH 3.41Å; L261-L289 HydrophobicContact CD2-CD2 4.45Å |
| 262 | P | 96.3 | Very high | 94.8 | Very high | 25 Ų | 25 | 32.2 Ų | 32.2 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -74 | 145.6 | -176.2 | 25.5 | -31 | 0 | 0 | 0 | 113 | D178 K237 W260 V264 | D178-P262 VanDerWaalsContact OD1-CA 3.3Å; D178-P262 WeakPolarHBondContact OD1-CA 3.11Å; K237-P262 HydrophobicContact CB-CG 3.95Å; W260-P262 HydrophobicContact CE3-CG 4.3Å; W260-P262 HydrophobicContact CH2-CB 3.54Å; W260-P262 HydrophobicContact CH2-CG 3.89Å; W260-P262 HydrophobicContact CZ2-CB 3.85Å; W260-P262 HydrophobicContact CZ3-CB 3.89Å; W260-P262 HydrophobicContact CZ3-CG 3.71Å; P262-V264 PolarHBondContact O-N 2.9Å |
| 263 | A | 94.8 | Very high | 94.9 | Very high | 48 Ų | 48 | 30.7 Ų | 30.7 | 40% | 0.397 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 44.5 | 63.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D178 K265 | D178-A263 PolarHBondContact OD1-N 2.99Å; A263-K265 PolarHBondContact O-N 2.94Å |
| 264 | V | 95 | Very high | 95.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -62.4 | 135.3 | -171.1 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | V173 G176 K177 A179 L261 P262 Q268 L289 V291 | V173-V264 HydrophobicContact CG1-CG2 4.43Å; G176-V264 PolarHBondContact N-O 2.82Å; K177-V264 WeakPolarHBondContact O-CG2 3.19Å; K177-V264 PolarHBondContact O-N 2.76Å; A179-V264 HydrophobicContact CB-CG2 3.52Å; L261-V264 HydrophobicContact CB-CG2 4.37Å; L261-V264 HydrophobicContact CD2-CG2 4.03Å; L261-V264 HydrophobicContact CG-CG2 4.13Å; P262-V264 PolarHBondContact O-N 2.9Å; V264-Q268 VanDerWaalsContact CA-OE1 3.31Å; V264-Q268 HydrophobicContact CG1-CB 4.29Å; V264-L289 HydrophobicContact CG1-CD2 4.26Å; V264-V291 HydrophobicContact CG1-CG2 3.49Å; V264-V291 VanDerWaalsContact CG1-CG2 3.49Å | ||
| 265 | K | 92.7 | Very high | 95.1 | Very high | 119 Ų | 119 | 28.5 Ų | 28.5 | 52% | 0.517 | 16% | 0.162 | S | C | . | . | trans | -111 | 156.7 | 179.1 | -60.2 | -178.7 | -177.5 | -179.8 | 0 | 110.9 | A263 S267 Q268 | A263-K265 PolarHBondContact O-N 2.94Å; K265-S267 PolarHBondContact O-N 3.5Å; K265-Q268 HydrophobicContact CB-CG 4.49Å; K265-Q268 WeakPolarHBondContact O-CB 3.31Å; K265-Q268 PolarHBondContact O-N 3.36Å | ||
| 266 | P | 91.4 | Very high | 95.1 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 14% | 0.143 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -54.1 | -35.5 | 174.9 | -32.4 | 40.6 | 0 | 0 | 0 | 114.8 | L175 Q268 E269 F324 | L175-P266 HydrophobicContact CD1-CG 3.64Å; P266-Q268 PolarHBondContact O-N 3.11Å; P266-E269 WeakPolarHBondContact O-CB 3.49Å; P266-E269 PolarHBondContact O-N 2.84Å; P266-E269 VanDerWaalsContact O-N 3.11Å; P266-F324 HydrophobicContact CB-CD2 4.18Å; P266-F324 HydrophobicContact CB-CE1 4.28Å; P266-F324 HydrophobicContact CB-CE2 3.57Å; P266-F324 HydrophobicContact CB-CZ 3.64Å; P266-F324 HydrophobicContact CG-CD1 4.5Å; P266-F324 HydrophobicContact CG-CD2 3.8Å; P266-F324 HydrophobicContact CG-CE1 4.45Å; P266-F324 HydrophobicContact CG-CE2 3.73Å; P266-F324 HydrophobicContact CG-CG 4.21Å; P266-F324 HydrophobicContact CG-CZ 4.08Å |
| 267 | S | 89 | Confident | 95.1 | Very high | 92 Ų | 92 | 26.9 Ų | 26.9 | 64% | 0.643 | 15% | 0.154 | S | C | * | . | G | 310 helix | trans | -65.3 | -12 | 178.1 | 62 | 0 | 0 | 0 | 0 | 114.2 | K265 | K265-S267 PolarHBondContact O-N 3.5Š|
| 268 | Q | 91.6 | Very high | 94.9 | Very high | 15 Ų | 15 | 27.1 Ų | 27.1 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -97.2 | -2.5 | 179.5 | -60.4 | 170.7 | -58.6 | 0 | 0 | 112.3 | R211 E236 L261 V264 K265 P266 Y272 | R211-Q268 WeakPolarHBondContact CD-O 3.3Å; E236-Q268 WeakPolarHBondContact OE2-CG 3.4Å; E236-Q268 PolarHBondContact OE2-NE2 3.37Å; L261-Q268 HydrophobicContact CD2-CB 4.34Å; V264-Q268 VanDerWaalsContact CA-OE1 3.31Å; V264-Q268 HydrophobicContact CG1-CB 4.29Å; K265-Q268 HydrophobicContact CB-CG 4.49Å; K265-Q268 WeakPolarHBondContact O-CB 3.31Å; K265-Q268 PolarHBondContact O-N 3.36Å; P266-Q268 PolarHBondContact O-N 3.11Å; Q268-Y272 WeakPolarHBondContact O-CE2 3.33Å; Q268-Y272 PolarHBondContact O-OH 3.07Å |
| 269 | E | 90.9 | Very high | 94.6 | Very high | 53 Ų | 53 | 28.8 Ų | 28.8 | 25% | 0.248 | 17% | 0.166 | C | C | . | . | trans | -60.5 | 151.2 | 171 | -74.4 | -173.2 | 135.6 | 0 | 0 | 112.2 | P266 V291 F324 | P266-E269 WeakPolarHBondContact O-CB 3.49Å; P266-E269 PolarHBondContact O-N 2.84Å; P266-E269 VanDerWaalsContact O-N 3.11Å; E269-V291 HydrophobicContact CG-CB 3.77Å; E269-V291 HydrophobicContact CG-CG2 3.51Å; E269-V291 WeakPolarHBondContact OE1-CA 3.38Å; E269-V291 WeakPolarHBondContact OE1-CB 3.43Å; E269-V291 PolarHBondContact OE1-N 2.87Å; E269-F324 WeakPolarHBondContact OE1-CE1 3.17Å; E269-F324 WeakPolarHBondContact OE2-CE1 3.5Å; E269-F324 WeakPolarHBondContact OE2-CZ 3.37Å | ||
| 270 | G | 91.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 29.3 Ų | 29.3 | 21% | 0.206 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 138.1 | -161.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y272 L289 | G270-Y272 WeakPolarHBondContact O-CD2 3.13Å; G270-L289 PolarHBondContact N-O 2.92Å; G270-L289 VanDerWaalsContact N-O 3.16Å; G270-L289 PolarHBondContact O-N 3.18Å |
| 271 | V | 94.6 | Very high | 94.1 | Very high | 50 Ų | 50 | 26 Ų | 26 | 30% | 0.303 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 122.2 | -176.2 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | R211 Q212 L273 L287 | R211-V271 CarbonylContact C-O 3.47Å; R211-V271 WeakPolarHBondContact CA-O 3.27Å; Q212-V271 PolarHBondContact N-O 2.73Å; V271-L273 HydrophobicContact CG1-CD2 4.37Å; V271-L287 CarbonylContact C-O 3.57Å; V271-L287 WeakPolarHBondContact CA-O 3.44Å |
| 272 | Y | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.6 | 173 | -74.7 | -109.7 | 0 | 0 | 0 | 109.1 | L181 W209 R210 R211 L220 F259 L261 Q268 G270 S286 L287 L289 | L181-Y272 HydrophobicContact CD1-CD1 3.61Å; L181-Y272 HydrophobicContact CD1-CD2 4.5Å; L181-Y272 HydrophobicContact CD1-CE1 4.09Å; L181-Y272 HydrophobicContact CD1-CG 3.84Å; W209-Y272 HydrophobicContact CE3-CD1 4.37Å; R210-Y272 CarbonylContact O-C 3.6Å; R210-Y272 VanDerWaalsContact O-CA 3.32Å; R210-Y272 WeakPolarHBondContact O-CA 3.49Å; R211-Y272 HydrophobicContact CB-CD1 4.47Å; R211-Y272 HydrophobicContact CB-CE1 4.32Å; R211-Y272 HydrophobicContact CG-CD2 4.37Å; R211-Y272 HydrophobicContact CG-CE2 4.03Å; R211-Y272 PolarHBondContact NH1-OH 2.95Å; L220-Y272 HydrophobicContact CD1-CD1 3.93Å; L220-Y272 HydrophobicContact CD1-CE1 3.39Å; F259-Y272 HydrophobicContact CE1-CD1 4.35Å; F259-Y272 AromaticContact CE1-CE1 3.95Å; F259-Y272 HydrophobicContact CE1-CE1 3.95Å; L261-Y272 HydrophobicContact CD2-CE1 4.45Å; L261-Y272 VanDerWaalsContact CD2-OH 3.31Å; L261-Y272 WeakPolarHBondContact CD2-OH 3.41Å; Q268-Y272 WeakPolarHBondContact O-CE2 3.33Å; Q268-Y272 PolarHBondContact O-OH 3.07Å; G270-Y272 WeakPolarHBondContact O-CD2 3.13Å; Y272-S286 CarbonylContact O-C 3.53Å; Y272-S286 WeakPolarHBondContact O-CA 3.38Å; Y272-L287 PolarHBondContact N-O 2.79Å; Y272-L287 PolarHBondContact O-N 3.01Å; Y272-L289 HydrophobicContact CD2-CB 3.72Å; Y272-L289 HydrophobicContact CD2-CD2 4.36Å; Y272-L289 HydrophobicContact CE2-CB 3.61Å; Y272-L289 HydrophobicContact CE2-CD2 3.55Å; Y272-L289 HydrophobicContact CE2-CG 4.2Å |
| 273 | L | 95.9 | Very high | 94.1 | Very high | 25 Ų | 25 | 28.8 Ų | 28.8 | 13% | 0.131 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.6 | 176.3 | -61.7 | 170.2 | 0 | 0 | 0 | 107.8 | W209 R210 Q212 V271 V285 | W209-L273 WeakPolarHBondContact CA-O 3.43Å; R210-L273 HydrophobicContact CB-CB 4.42Å; R210-L273 PolarHBondContact N-O 3.17Å; R210-L273 PolarHBondContact O-N 3.08Å; Q212-L273 HydrophobicContact CB-CD1 4.47Å; V271-L273 HydrophobicContact CG1-CD2 4.37Å; L273-V285 WeakPolarHBondContact CA-O 3.22Å |
| 274 | A | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | L183 E208 W209 Q284 V285 L287 | L183-A274 HydrophobicContact CD1-CB 3.66Å; L183-A274 HydrophobicContact CD2-CB 3.8Å; L183-A274 HydrophobicContact CG-CB 4.33Å; E208-A274 CarbonylContact O-C 3.58Å; E208-A274 WeakPolarHBondContact O-CA 3.17Å; W209-A274 HydrophobicContact CD2-CB 3.91Å; W209-A274 HydrophobicContact CE3-CB 3.88Å; W209-A274 HydrophobicContact CH2-CB 3.64Å; W209-A274 HydrophobicContact CZ2-CB 3.64Å; W209-A274 HydrophobicContact CZ3-CB 3.75Å; A274-Q284 CarbonylContact O-C 3.49Å; A274-Q284 VanDerWaalsContact O-CA 3.28Å; A274-Q284 WeakPolarHBondContact O-CA 3.26Å; A274-V285 HydrophobicContact CB-CG2 3.94Å; A274-V285 PolarHBondContact N-O 3.11Å; A274-V285 PolarHBondContact O-N 2.96Å; A274-L287 HydrophobicContact CB-CD1 4.49Å |
| 275 | T | 97.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127 | 179.1 | -49.4 | 0 | 0 | 0 | 0 | 109.6 | E208 Q282 G283 Q284 | E208-T275 PolarHBondContact N-O 3.32Å; E208-T275 PolarHBondContact O-N 3.48Å; T275-Q282 HydrophobicContact CG2-CB 4.18Å; T275-G283 CarbonylContact C-O 3.55Å; T275-G283 VanDerWaalsContact CA-O 3.3Å; T275-G283 WeakPolarHBondContact CA-O 3.22Å; T275-Q284 HydrophobicContact CG2-CB 4.38Å; T275-Q284 WeakPolarHBondContact OG1-CG 3.32Å; T275-Q284 PolarHBondContact OG1-OE1 3.07Å |
| 276 | V | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.8 | 170.3 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | V164 L183 F185 F205 G206 L207 Q282 G283 | V164-V276 HydrophobicContact CG1-CG2 4.08Å; V164-V276 HydrophobicContact CG2-CB 3.89Å; V164-V276 HydrophobicContact CG2-CG2 3.98Å; L183-V276 HydrophobicContact CD2-CG2 4.22Å; F185-V276 HydrophobicContact CB-CG2 4.18Å; F185-V276 HydrophobicContact CD1-CG1 4.4Å; F185-V276 HydrophobicContact CD1-CG2 3.98Å; F185-V276 HydrophobicContact CD2-CG1 3.95Å; F185-V276 HydrophobicContact CE2-CG1 4.2Å; F185-V276 HydrophobicContact CG-CG1 4.06Å; F185-V276 HydrophobicContact CG-CG2 4.09Å; F205-V276 HydrophobicContact CD2-CG1 4.24Å; G206-V276 CarbonylContact O-C 3.11Å; G206-V276 WeakPolarHBondContact O-CA 3.3Å; L207-V276 HydrophobicContact CD1-CG2 4.41Å; V276-Q282 VanDerWaalsContact O-CA 3.29Å; V276-Q282 WeakPolarHBondContact O-CA 3.41Å; V276-G283 PolarHBondContact N-O 2.98Å; V276-G283 PolarHBondContact O-N 2.85Å |
| 277 | H | 96.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.028 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.8 | 179.2 | -64.1 | -87.6 | 0 | 0 | 0 | 109.3 | W108 L112 F205 G206 E208 | W108-H277 AromaticContact CH2-CD2 3.71Å; L112-H277 HydrophobicContact CD1-CB 3.69Å; F205-H277 CarbonylContact C-O 3.54Å; F205-H277 VanDerWaalsContact CA-O 3.31Å; F205-H277 WeakPolarHBondContact CA-O 3.48Å; F205-H277 WeakPolarHBondContact CB-O 3.39Å; G206-H277 PolarHBondContact N-O 2.93Å; G206-H277 PolarHBondContact O-N 3.25Å; E208-H277 IonicContact OE2-CE1 3.78Å; E208-H277 IonicContact OE2-NE2 2.64Å; E208-H277 PolarHBondContact OE2-NE2 3.23Å |
| 278 | L | 94 | Very high | 94.9 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 170.3 | 166.7 | -79.3 | 169.4 | 0 | 0 | 0 | 107.6 | L162 Y187 P203 F205 W244 Y280 L281 | L162-L278 HydrophobicContact CD1-CD1 3.78Å; L162-L278 HydrophobicContact CD2-CD1 4.24Å; L162-L278 HydrophobicContact CG-CD1 4.44Å; Y187-L278 HydrophobicContact CD1-CD1 4.37Å; Y187-L278 HydrophobicContact CD2-CD1 3.44Å; Y187-L278 VanDerWaalsContact CD2-CD1 3.44Å; Y187-L278 HydrophobicContact CE2-CD1 4.01Å; Y187-L278 HydrophobicContact CG-CD1 3.66Å; P203-L278 HydrophobicContact CG-CD2 4.11Å; F205-L278 HydrophobicContact CB-CD2 3.88Å; W244-L278 HydrophobicContact CZ2-CD2 4.24Å; L278-Y280 PolarHBondContact O-N 3.34Å; L278-L281 HydrophobicContact CB-CB 4.07Å; L278-L281 PolarHBondContact N-O 3.38Å; L278-L281 PolarHBondContact O-N 3.09Å; L278-L281 VanDerWaalsContact O-N 3.11Å |
| 279 | P | 90.9 | Very high | 95 | Very high | 46 Ų | 46 | 28 Ų | 28 | 30% | 0.299 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 114.8 | 175.3 | -25.6 | 34.3 | 0 | 0 | 0 | 110.7 | L112 L281 | L112-P279 WeakPolarHBondContact O-CB 3.4Å; L112-P279 WeakPolarHBondContact O-CG 3.38Å; P279-L281 PolarHBondContact O-N 2.86Å |
| 280 | Y | 91.4 | Very high | 95.2 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 4% | 0.043 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | -1.9 | -177.4 | -54.4 | -100.4 | 0 | 0 | 0 | 117.2 | P101 F102 P103 E115 N117 P119 L122 L278 | P101-Y280 CarbonylContact C-O 3.54Å; P101-Y280 WeakPolarHBondContact CA-O 3.36Å; F102-Y280 PolarHBondContact N-O 3.06Å; F102-Y280 CarbonylContact O-C 3.56Å; F102-Y280 WeakPolarHBondContact O-CA 3.32Å; P103-Y280 HydrophobicContact CG-CD1 3.82Å; P103-Y280 HydrophobicContact CG-CE1 3.6Å; E115-Y280 PolarHBondContact O-OH 2.86Å; N117-Y280 PolarHBondContact O-OH 2.87Å; P119-Y280 VanDerWaalsContact CD-CZ 3.4Å; P119-Y280 HydrophobicContact CG-CD2 3.84Å; P119-Y280 HydrophobicContact CG-CE2 3.53Å; L122-Y280 VanDerWaalsContact CD1-CB 3.43Å; L122-Y280 HydrophobicContact CD1-CD2 3.9Å; L122-Y280 HydrophobicContact CD1-CG 3.71Å; L278-Y280 PolarHBondContact O-N 3.34Å |
| 281 | L | 94.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 142.3 | -175.7 | -57.6 | -179.6 | 0 | 0 | 0 | 109.8 | F99 P101 L122 W126 L141 V161 L162 Y187 L278 P279 | F99-L281 HydrophobicContact CE1-CD2 3.91Å; P101-L281 HydrophobicContact CB-CD2 4.31Å; P101-L281 HydrophobicContact CG-CD2 4.43Å; L122-L281 HydrophobicContact CD2-CD2 4.28Å; W126-L281 HydrophobicContact CE3-CD2 4.29Å; W126-L281 HydrophobicContact CH2-CD1 4.26Å; W126-L281 HydrophobicContact CH2-CD2 3.98Å; W126-L281 HydrophobicContact CZ2-CD2 4.49Å; W126-L281 HydrophobicContact CZ3-CD1 4.33Å; W126-L281 HydrophobicContact CZ3-CD2 3.85Å; L141-L281 HydrophobicContact CD1-CB 3.9Å; L141-L281 HydrophobicContact CD1-CD2 4.03Å; L141-L281 HydrophobicContact CD1-CG 4.41Å; V161-L281 HydrophobicContact CG1-CD1 3.9Å; L162-L281 HydrophobicContact CD2-CB 4.47Å; Y187-L281 HydrophobicContact CE2-CD1 4.24Å; L278-L281 HydrophobicContact CB-CB 4.07Å; L278-L281 PolarHBondContact N-O 3.38Å; L278-L281 PolarHBondContact O-N 3.09Å; L278-L281 VanDerWaalsContact O-N 3.11Å; P279-L281 PolarHBondContact O-N 2.86Å |
| 282 | Q | 95.9 | Very high | 95.4 | Very high | 83 Ų | 83 | 26.9 Ų | 26.9 | 39% | 0.388 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 138.4 | 172.9 | 62.5 | 177.5 | 18.6 | 0 | 0 | 110.8 | F99 T275 V276 | F99-Q282 HydrophobicContact CE2-CG 4.23Å; F99-Q282 HydrophobicContact CZ-CG 4.38Å; T275-Q282 HydrophobicContact CG2-CB 4.18Å; V276-Q282 VanDerWaalsContact O-CA 3.29Å; V276-Q282 WeakPolarHBondContact O-CA 3.41Å |
| 283 | G | 96.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T275 V276 | T275-G283 CarbonylContact C-O 3.55Å; T275-G283 VanDerWaalsContact CA-O 3.3Å; T275-G283 WeakPolarHBondContact CA-O 3.22Å; V276-G283 PolarHBondContact N-O 2.98Å; V276-G283 PolarHBondContact O-N 2.85Å |
| 284 | Q | 96.4 | Very high | 95.3 | Very high | 100 Ų | 100 | 28.9 Ų | 28.9 | 47% | 0.467 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 132 | -176.9 | -175.1 | -178.7 | -82.5 | 0 | 0 | 111.5 | S139 A274 T275 | S139-Q284 WeakPolarHBondContact CB-O 3.45Å; S139-Q284 PolarHBondContact OG-N 3.46Å; S139-Q284 PolarHBondContact OG-O 3.16Å; A274-Q284 CarbonylContact O-C 3.49Å; A274-Q284 VanDerWaalsContact O-CA 3.28Å; A274-Q284 WeakPolarHBondContact O-CA 3.26Å; T275-Q284 HydrophobicContact CG2-CB 4.38Å; T275-Q284 WeakPolarHBondContact OG1-CG 3.32Å; T275-Q284 PolarHBondContact OG1-OE1 3.07Å |
| 285 | V | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 151.4 | 171.7 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | V164 T166 L183 L273 A274 L287 | V164-V285 HydrophobicContact CB-CG1 4.21Å; V164-V285 HydrophobicContact CG1-CG1 3.92Å; V164-V285 HydrophobicContact CG1-CG2 4.01Å; V164-V285 WeakPolarHBondContact O-CG1 3.32Å; T166-V285 HydrophobicContact CG2-CB 4.29Å; T166-V285 HydrophobicContact CG2-CG2 4.17Å; L183-V285 HydrophobicContact CD1-CG2 3.38Å; L273-V285 WeakPolarHBondContact CA-O 3.22Å; A274-V285 HydrophobicContact CB-CG2 3.94Å; A274-V285 PolarHBondContact N-O 3.11Å; A274-V285 PolarHBondContact O-N 2.96Å; V285-L287 HydrophobicContact CG2-CD1 4.08Å |
| 286 | S | 95.1 | Very high | 95.2 | Very high | 57 Ų | 57 | 36.9 Ų | 36.9 | 40% | 0.399 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 140.6 | 175.2 | 57.4 | 0 | 0 | 0 | 0 | 111.4 | Y272 | Y272-S286 CarbonylContact O-C 3.53Å; Y272-S286 WeakPolarHBondContact O-CA 3.38Å |
| 287 | L | 95.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 141.7 | 175.7 | -60.9 | 85.1 | 0 | 0 | 0 | 109.6 | T166 P169 L181 W209 V271 Y272 A274 V285 | T166-L287 HydrophobicContact CG2-CD1 4.15Å; T166-L287 HydrophobicContact CG2-CD2 4.33Å; T166-L287 HydrophobicContact CG2-CG 3.96Å; T166-L287 WeakPolarHBondContact OG1-CD2 3.46Å; P169-L287 CarbonylContact O-C 3.48Å; P169-L287 VanDerWaalsContact O-CA 3.26Å; P169-L287 WeakPolarHBondContact O-CA 3.39Å; L181-L287 HydrophobicContact CB-CD2 4.05Å; W209-L287 HydrophobicContact CH2-CD1 3.97Å; W209-L287 HydrophobicContact CH2-CD2 4.29Å; W209-L287 HydrophobicContact CZ3-CD1 3.99Å; V271-L287 CarbonylContact C-O 3.57Å; V271-L287 WeakPolarHBondContact CA-O 3.44Å; Y272-L287 PolarHBondContact N-O 2.79Å; Y272-L287 PolarHBondContact O-N 3.01Å; A274-L287 HydrophobicContact CB-CD1 4.49Å; V285-L287 HydrophobicContact CG2-CD1 4.08Å |
| 288 | E | 94.9 | Very high | 95.1 | Very high | 115 Ų | 115 | 40 Ų | 40 | 54% | 0.537 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 97.6 | 176.5 | -171.3 | 170.3 | -168.7 | 0 | 0 | 110.6 | P169 A170 P171 T290 | P169-E288 PolarHBondContact O-N 2.81Å; A170-E288 CarbonylContact C-O 3.46Å; A170-E288 WeakPolarHBondContact CA-O 3.39Å; P171-E288 WeakPolarHBondContact CD-O 3.44Å; E288-T290 PolarHBondContact O-N 3.09Å |
| 289 | L | 95.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 120.9 | 179.6 | 177.2 | 64.3 | 0 | 0 | 0 | 110.1 | P171 V173 A179 L181 L261 V264 G270 Y272 | P171-L289 HydrophobicContact CB-CD1 4.22Å; P171-L289 HydrophobicContact CG-CB 4.44Å; P171-L289 HydrophobicContact CG-CD1 4.07Å; V173-L289 HydrophobicContact CB-CD1 4.21Å; V173-L289 HydrophobicContact CG2-CD1 3.69Å; A179-L289 HydrophobicContact CB-CD1 4.32Å; L181-L289 HydrophobicContact CD2-CD1 4.12Å; L261-L289 HydrophobicContact CD2-CD2 4.45Å; V264-L289 HydrophobicContact CG1-CD2 4.26Å; G270-L289 PolarHBondContact N-O 2.92Å; G270-L289 VanDerWaalsContact N-O 3.16Å; G270-L289 PolarHBondContact O-N 3.18Å; Y272-L289 HydrophobicContact CD2-CB 3.72Å; Y272-L289 HydrophobicContact CD2-CD2 4.36Å; Y272-L289 HydrophobicContact CE2-CB 3.61Å; Y272-L289 HydrophobicContact CE2-CD2 3.55Å; Y272-L289 HydrophobicContact CE2-CG 4.2Å |
| 290 | T | 94.3 | Very high | 95.2 | Very high | 47 Ų | 47 | 42 Ų | 42 | 29% | 0.288 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 145.1 | 172.1 | 60.4 | 0 | 0 | 0 | 0 | 110.8 | P171 R172 V173 E288 | P171-T290 PolarHBondContact O-N 3.22Å; P171-T290 PolarHBondContact O-OG1 2.96Å; R172-T290 CarbonylContact C-O 3.51Å; R172-T290 WeakPolarHBondContact CA-O 3.18Å; R172-T290 WeakPolarHBondContact CG-OG1 3.26Å; V173-T290 PolarHBondContact N-O 2.99Å; E288-T290 PolarHBondContact O-N 3.09Å |
| 291 | V | 94.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 141.7 | -177.5 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | V173 L175 V264 E269 F324 | V173-V291 CarbonylContact O-C 3.58Å; V173-V291 VanDerWaalsContact O-CA 3.27Å; V173-V291 WeakPolarHBondContact O-CA 3.49Å; L175-V291 HydrophobicContact CB-CG1 3.65Å; L175-V291 HydrophobicContact CD1-CG1 4.44Å; L175-V291 HydrophobicContact CG-CG1 4.2Å; V264-V291 HydrophobicContact CG1-CG2 3.49Å; V264-V291 VanDerWaalsContact CG1-CG2 3.49Å; E269-V291 HydrophobicContact CG-CB 3.77Å; E269-V291 HydrophobicContact CG-CG2 3.51Å; E269-V291 WeakPolarHBondContact OE1-CA 3.38Å; E269-V291 WeakPolarHBondContact OE1-CB 3.43Å; E269-V291 PolarHBondContact OE1-N 2.87Å; V291-F324 HydrophobicContact CB-CD1 4.23Å; V291-F324 HydrophobicContact CB-CE1 4.21Å; V291-F324 HydrophobicContact CG1-CD1 4.13Å; V291-F324 WeakPolarHBondContact O-CD1 3.49Å |
| 292 | H | 95.3 | Very high | 94.8 | Very high | 48 Ų | 48 | 46.2 Ų | 46.2 | 22% | 0.222 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 154.3 | 175.4 | 68.4 | -72.2 | 0 | 0 | 0 | 111.7 | V173 Q174 L175 F324 | V173-H292 PolarHBondContact O-N 3.48Å; V173-H292 PolarHBondContact O-ND1 2.81Å; Q174-H292 CarbonylContact C-O 3.59Å; Q174-H292 WeakPolarHBondContact CA-O 3.37Å; L175-H292 PolarHBondContact N-O 2.87Å; H292-F324 CarbonylContact C-O 3.58Å; H292-F324 WeakPolarHBondContact CA-O 3.27Å |
| 293 | K | 96 | Very high | 94.3 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -148.1 | 127.4 | 171.6 | -165.8 | 176.6 | 177.5 | 175.9 | 0 | 108.6 | L175 H322 F323 F324 D360 S391 | L175-K293 HydrophobicContact CB-CB 4.02Å; L175-K293 HydrophobicContact CB-CD 4.09Å; L175-K293 HydrophobicContact CB-CG 4.42Å; L175-K293 HydrophobicContact CD1-CD 4.32Å; L175-K293 HydrophobicContact CD2-CD 4.2Å; L175-K293 HydrophobicContact CG-CD 4.45Å; K293-H322 HydrophobicContact CD-CB 4.49Å; K293-H322 WeakPolarHBondContact CD-O 3.22Å; K293-H322 VanDerWaalsContact CE-O 3.28Å; K293-H322 WeakPolarHBondContact CE-O 3.2Å; K293-H322 VanDerWaalsContact CG-O 3.26Å; K293-H322 WeakPolarHBondContact CG-O 3.42Å; K293-F323 WeakPolarHBondContact O-CA 3.36Å; K293-F324 HydrophobicContact CB-CB 4.17Å; K293-F324 PolarHBondContact N-O 3.09Å; K293-F324 PolarHBondContact O-N 2.91Å; K293-F324 VanDerWaalsContact O-N 3.16Å; K293-D360 IonicContact NZ-OD2 2.7Å; K293-D360 PolarHBondContact NZ-OD2 2.83Å; K293-S391 PolarHBondContact O-OG 2.93Å |
| 294 | A | 95.4 | Very high | 93.8 | Very high | 32 Ų | 32 | 49.6 Ų | 49.6 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -73 | 133.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S391 L392 | A294-S391 VanDerWaalsContact CA-OG 3.23Å; A294-S391 WeakPolarHBondContact CA-OG 3.41Å; A294-S391 PolarHBondContact N-OG 3.49Å; A294-L392 HydrophobicContact CB-CD2 4.1Å |
| 295 | P | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 141.6 | 176.1 | 24.9 | -32.6 | 0 | 0 | 0 | 111.3 | A320 S321 F323 V387 H389 L392 R397 | P295-A320 HydrophobicContact CB-CB 4.15Å; P295-S321 WeakPolarHBondContact CA-O 3.36Å; P295-F323 HydrophobicContact CB-CB 3.67Å; P295-F323 HydrophobicContact CB-CD1 4.19Å; P295-F323 HydrophobicContact CB-CG 4.14Å; P295-F323 HydrophobicContact CG-CB 4.24Å; P295-V387 HydrophobicContact CG-CG1 4.25Å; P295-H389 HydrophobicContact CG-CB 4.29Å; P295-L392 HydrophobicContact CG-CD1 3.71Å; P295-L392 HydrophobicContact CG-CD2 4.38Å; P295-L392 HydrophobicContact CG-CG 4.09Å; P295-R397 PolarHBondContact O-NH1 3.49Å |
| 296 | R | 95.4 | Very high | 92.8 | Very high | 172 Ų | 172 | 52.2 Ų | 52.2 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 116.7 | 162.1 | -64 | 177.2 | -176.4 | -174.6 | -0.1 | 107.4 | L319 S321 | R296-L319 VanDerWaalsContact O-O 3.11Å; R296-S321 WeakPolarHBondContact CB-OG 3.29Å; R296-S321 PolarHBondContact N-O 2.78Å; R296-S321 PolarHBondContact O-N 2.7Å; R296-S321 PolarHBondContact O-OG 3.03Å; R296-S321 VanDerWaalsContact O-OG 3.07Å |
| 297 | V | 96.1 | Very high | 92.4 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 15% | 0.152 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 124 | -177.6 | -176 | 0 | 0 | 0 | 0 | 108 | L319 V387 R397 A399 | V297-L319 WeakPolarHBondContact CA-O 3.2Å; V297-V387 HydrophobicContact CB-CG2 4.41Å; V297-V387 HydrophobicContact CG1-CG2 3.78Å; V297-V387 HydrophobicContact CG2-CB 3.75Å; V297-V387 HydrophobicContact CG2-CG1 4.33Å; V297-V387 HydrophobicContact CG2-CG2 3.67Å; V297-R397 HydrophobicContact CB-CG 4.08Å; V297-R397 HydrophobicContact CG2-CB 4.01Å; V297-R397 HydrophobicContact CG2-CG 3.76Å; V297-A399 HydrophobicContact CG1-CB 3.96Å |
| 298 | S | 95.2 | Very high | 91.9 | Very high | 47 Ų | 47 | 51.3 Ų | 51.3 | 33% | 0.329 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152 | 172.8 | 61.1 | 0 | 0 | 0 | 0 | 109.8 | C318 L319 | S298-C318 CarbonylContact O-C 3.57Å; S298-C318 WeakPolarHBondContact O-CA 3.32Å; S298-L319 PolarHBondContact N-O 3.33Å; S298-L319 PolarHBondContact O-N 2.99Å |
| 299 | L | 95 | Very high | 91.4 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.6 | -179.8 | -170.9 | 62.2 | 0 | 0 | 0 | 109.3 | A302 L316 L317 C318 W333 C385 A399 V401 | L299-A302 WeakPolarHBondContact O-CB 3.45Å; L299-L316 HydrophobicContact CD1-CB 4.44Å; L299-L317 CarbonylContact C-O 3.42Å; L299-L317 WeakPolarHBondContact CA-O 3.31Å; L299-C318 HydrophobicContact CD1-CB 4.01Å; L299-W333 HydrophobicContact CD1-CH2 3.43Å; L299-W333 VanDerWaalsContact CD1-CH2 3.43Å; L299-W333 HydrophobicContact CD1-CZ3 3.61Å; L299-C385 HydrophobicContact CD1-CB 4.25Å; L299-A399 HydrophobicContact CB-CB 3.93Å; L299-V401 HydrophobicContact CD2-CB 3.69Å; L299-V401 HydrophobicContact CD2-CG1 3.53Å; L299-V401 HydrophobicContact CG-CG1 4.42Å |
| 300 | T | 93.6 | Very high | 90.9 | Very high | 79 Ų | 79 | 52.4 Ų | 52.4 | 49% | 0.485 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 129.9 | -178.9 | -50.4 | 0 | 0 | 0 | 0 | 109.5 | L317 | T300-L317 PolarHBondContact N-O 3.1Å; T300-L317 PolarHBondContact O-N 2.71Å |
| 301 | P | 91.4 | Very high | 90.5 | Very high | 50 Ų | 50 | 55.7 Ų | 55.7 | 33% | 0.325 | 32% | 0.321 | S | S | . | . | S | Bend | cis | -70 | 147.8 | -6.2 | -14.6 | 30.4 | 0 | 0 | 0 | 112.5 | V305 P314 V401 | P301-V305 HydrophobicContact CB-CG2 3.92Å; P301-V305 HydrophobicContact CG-CG2 4.22Å; P301-P314 HydrophobicContact CG-CB 4.49Å; P301-P314 HydrophobicContact CG-CG 4.25Å; P301-V401 WeakPolarHBondContact O-CG2 3.41Å |
| 302 | A | 86.3 | Confident | 90.2 | Very high | 54 Ų | 54 | 57.8 Ų | 57.8 | 45% | 0.446 | 34% | 0.339 | S | S | . | . | trans | -148.7 | 153.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109 | L299 | L299-A302 WeakPolarHBondContact O-CB 3.45Š| ||
| 303 | P | 84.1 | Confident | 89.8 | Confident | 102 Ų | 102 | 55.9 Ų | 55.9 | 66% | 0.662 | 33% | 0.331 | S | S | * | . | S | Bend | cis | -89.2 | -10.4 | 8 | 34.1 | -34.4 | 0 | 0 | 0 | 115.1 | V401 T402 | P303-V401 WeakPolarHBondContact O-CG2 3.37Å; P303-T402 PolarHBondContact O-N 3.4Å |
| 304 | V | 85.6 | Confident | 89.6 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 33% | 0.327 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141.6 | -175.2 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | W306 T402 E404 | V304-W306 HydrophobicContact CG1-CD2 4.45Å; V304-W306 HydrophobicContact CG1-CZ2 4Å; V304-T402 CarbonylContact C-O 3.59Å; V304-T402 WeakPolarHBondContact CA-O 3.38Å; V304-E404 HydrophobicContact CG1-CB 4.01Å; V304-E404 HydrophobicContact CG1-CG 3.42Å; V304-E404 VanDerWaalsContact CG1-CG 3.42Å |
| 305 | V | 88.4 | Confident | 89.5 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.036 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136 | 174.3 | 168.6 | 0 | 0 | 0 | 0 | 109.5 | P301 P313 P314 L316 V401 T402 L403 E404 | P301-V305 HydrophobicContact CB-CG2 3.92Å; P301-V305 HydrophobicContact CG-CG2 4.22Å; V305-P313 HydrophobicContact CG1-CB 3.8Å; V305-P314 HydrophobicContact CG1-CG 3.63Å; V305-L316 HydrophobicContact CG2-CD2 3.89Å; V305-V401 HydrophobicContact CB-CG2 4.26Å; V305-V401 HydrophobicContact CG2-CG2 3.67Å; V305-T402 PolarHBondContact N-O 2.81Å; V305-L403 HydrophobicContact CG1-CD1 4.36Å; V305-L403 WeakPolarHBondContact O-CA 3.49Å; V305-E404 PolarHBondContact O-N 2.81Å |
| 306 | W | 84.8 | Confident | 89.4 | Confident | 151 Ų | 151 | 59.6 Ų | 59.6 | 57% | 0.572 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 142.8 | -177.3 | -59.9 | 86.4 | 0 | 0 | 0 | 111.2 | V304 E404 | V304-W306 HydrophobicContact CG1-CD2 4.45Å; V304-W306 HydrophobicContact CG1-CZ2 4Å; W306-E404 WeakPolarHBondContact CA-O 3.44Å; W306-E404 HydrophobicContact CD2-CB 3.68Å; W306-E404 HydrophobicContact CE3-CB 3.33Å; W306-E404 HydrophobicContact CE3-CG 4.38Å; W306-E404 HydrophobicContact CG-CB 4.49Å; W306-E404 HydrophobicContact CH2-CB 3.68Å; W306-E404 HydrophobicContact CH2-CG 3.9Å; W306-E404 HydrophobicContact CZ2-CB 4.01Å; W306-E404 HydrophobicContact CZ2-CG 4.05Å; W306-E404 HydrophobicContact CZ3-CB 3.35Å; W306-E404 HydrophobicContact CZ3-CG 4.09Å |
| 307 | A | 86.9 | Confident | 89.4 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 5% | 0.05 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 145.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | P313 V374 E404 V405 A406 | A307-P313 HydrophobicContact CB-CB 4.15Å; A307-P313 HydrophobicContact CB-CG 3.79Å; A307-V374 HydrophobicContact CB-CG2 3.61Å; A307-E404 PolarHBondContact N-O 3.46Å; A307-V405 WeakPolarHBondContact O-CA 3.36Å; A307-A406 PolarHBondContact O-N 3.07Å |
| 308 | A | 85.2 | Confident | 89.4 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | trans | -74.4 | 154.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | G310 E311 | A308-G310 PolarHBondContact O-N 3.08Å; A308-E311 HydrophobicContact CB-CB 4.2Å; A308-E311 WeakPolarHBondContact O-CB 3.44Å; A308-E311 PolarHBondContact O-N 3.26Å | ||
| 309 | P | 84.7 | Confident | 89.5 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 126.5 | 172.1 | -22.2 | 31.5 | 0 | 0 | 0 | 111.2 | E311 V405 A406 | P309-E311 VanDerWaalsContact C-N 3.31Å; P309-V405 HydrophobicContact CB-CG1 4.47Å; P309-V405 HydrophobicContact CG-CG1 3.71Å; P309-A406 WeakPolarHBondContact CD-O 3.08Å |
| 310 | G | 83.5 | Confident | 89.6 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 63% | 0.629 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -0.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | A308 V374 | A308-G310 PolarHBondContact O-N 3.08Å; G310-V374 PolarHBondContact N-O 2.97Å |
| 311 | E | 87.3 | Confident | 89.7 | Confident | 115 Ų | 115 | 49 Ų | 49 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -100.4 | 147.5 | 172 | -166.9 | 175.1 | -172.7 | 0 | 0 | 110.8 | A308 P309 P373 V374 | A308-E311 HydrophobicContact CB-CB 4.2Å; A308-E311 WeakPolarHBondContact O-CB 3.44Å; A308-E311 PolarHBondContact O-N 3.26Å; P309-E311 VanDerWaalsContact C-N 3.31Å; E311-P373 WeakPolarHBondContact O-CA 3.04Å; E311-V374 WeakPolarHBondContact O-CG2 3.49Å; E311-V374 PolarHBondContact O-N 3.49Å |
| 312 | A | 86.8 | Confident | 89.9 | Confident | 49 Ų | 49 | 49.5 Ų | 49.5 | 41% | 0.405 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 128.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 313 | P | 88.1 | Confident | 90.4 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 5% | 0.045 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 159.7 | 172.7 | -20.8 | 30.2 | 0 | 0 | 0 | 112.3 | V305 A307 L371 V374 L403 | V305-P313 HydrophobicContact CG1-CB 3.8Å; A307-P313 HydrophobicContact CB-CB 4.15Å; A307-P313 HydrophobicContact CB-CG 3.79Å; P313-L371 HydrophobicContact CB-CD1 4.07Å; P313-L371 HydrophobicContact CG-CB 4.24Å; P313-L371 HydrophobicContact CG-CD1 3.98Å; P313-V374 HydrophobicContact CG-CG1 3.43Å; P313-V374 VanDerWaalsContact CG-CG1 3.43Å; P313-V374 HydrophobicContact CG-CG2 4.37Å; P313-L403 HydrophobicContact CB-CD1 4.39Å; P313-L403 HydrophobicContact CG-CD1 3.91Å |
| 314 | P | 90.6 | Very high | 90.9 | Very high | 63 Ų | 63 | 43.2 Ų | 43.2 | 41% | 0.409 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -55.8 | 150.6 | 170.4 | 25.9 | -35.9 | 0 | 0 | 0 | 111.2 | P301 V305 L316 | P301-P314 HydrophobicContact CG-CB 4.49Å; P301-P314 HydrophobicContact CG-CG 4.25Å; V305-P314 HydrophobicContact CG1-CG 3.63Å; P314-L316 PolarHBondContact O-N 2.97Å |
| 315 | E | 93.3 | Very high | 91.4 | Very high | 82 Ų | 82 | 42.6 Ų | 42.6 | 38% | 0.383 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -57.9 | 131.9 | 176.7 | -173 | -172.5 | 147.7 | 0 | 0 | 111.2 | W351 H368 | E315-W351 WeakPolarHBondContact OE1-CZ2 3.35Å; E315-H368 WeakPolarHBondContact OE1-CB 3.29Å; E315-H368 IonicContact OE1-CE1 3.56Å; E315-H368 IonicContact OE1-CG 2.79Å; E315-H368 IonicContact OE1-ND1 3.61Å; E315-H368 PolarHBondContact OE1-ND1 2.83Å |
| 316 | L | 94.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.2 | 176.1 | -57.5 | -175.6 | 0 | 0 | 0 | 109.9 | L299 V305 P314 W333 L369 L371 Y383 V401 | L299-L316 HydrophobicContact CD1-CB 4.44Å; V305-L316 HydrophobicContact CG2-CD2 3.89Å; P314-L316 PolarHBondContact O-N 2.97Å; L316-W333 HydrophobicContact CB-CH2 3.88Å; L316-W333 HydrophobicContact CB-CZ3 4.19Å; L316-W333 HydrophobicContact CD1-CZ3 4.39Å; L316-L369 HydrophobicContact CB-CB 4.26Å; L316-L369 HydrophobicContact CD1-CD2 4.09Å; L316-L369 PolarHBondContact N-O 3.08Å; L316-L369 PolarHBondContact O-N 3.16Å; L316-L371 HydrophobicContact CD1-CD1 3.93Å; L316-L371 HydrophobicContact CG-CD1 4.25Å; L316-Y383 HydrophobicContact CD1-CD1 4.48Å; L316-Y383 HydrophobicContact CD1-CD2 4.38Å; L316-Y383 HydrophobicContact CD1-CG 3.98Å; L316-V401 HydrophobicContact CD1-CG1 3.93Å; L316-V401 HydrophobicContact CD2-CG1 4.19Å |
| 317 | L | 95.8 | Very high | 91.8 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 27% | 0.272 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 112.5 | 178.2 | -171 | 153.7 | 0 | 0 | 0 | 109.8 | L299 T300 L319 | L299-L317 CarbonylContact C-O 3.42Å; L299-L317 WeakPolarHBondContact CA-O 3.31Å; T300-L317 PolarHBondContact N-O 3.1Å; T300-L317 PolarHBondContact O-N 2.71Å; L317-L319 HydrophobicContact CD2-CB 3.9Å |
| 318 | C | 96.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 108.4 | 172 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | S298 L299 W333 S366 G367 C385 | S298-C318 CarbonylContact O-C 3.57Å; S298-C318 WeakPolarHBondContact O-CA 3.32Å; L299-C318 HydrophobicContact CD1-CB 4.01Å; C318-W333 HydrophobicContact CB-CH2 3.57Å; C318-W333 HydrophobicContact CB-CZ2 3.56Å; C318-W333 HydrophobicContact CB-CZ3 4.47Å; C318-S366 CarbonylContact O-C 3.59Å; C318-S366 VanDerWaalsContact O-CA 3.25Å; C318-S366 WeakPolarHBondContact O-CA 3.36Å; C318-G367 PolarHBondContact N-O 3.31Å; C318-G367 PolarHBondContact O-N 2.96Å; C318-C385 HydrophobicContact CB-CB 3.55Å; C318-C385 WeakPolarHBondContact CB-SG 3.35Å; C318-C385 WeakPolarHBondContact SG-CB 3.28Å; C318-C385 CovalentContact SG-SG 2.01Å; C318-C385 PolarHBondContact SG-SG 3.03Å |
| 319 | L | 97.1 | Very high | 92.3 | Very high | 41 Ų | 41 | 46.4 Ų | 46.4 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 115.8 | -179.5 | 178.8 | 64.6 | 0 | 0 | 0 | 110.5 | R296 V297 S298 L317 | R296-L319 VanDerWaalsContact O-O 3.11Å; V297-L319 WeakPolarHBondContact CA-O 3.2Å; S298-L319 PolarHBondContact N-O 3.33Å; S298-L319 PolarHBondContact O-N 2.99Å; L317-L319 HydrophobicContact CD2-CB 3.9Å |
| 320 | A | 97.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 100.5 | 164 | 0 | 0 | 0 | 0 | 0 | 108.6 | P295 F323 L329 S364 Q365 V387 | P295-A320 HydrophobicContact CB-CB 4.15Å; A320-F323 HydrophobicContact CB-CD1 4.28Å; A320-F323 HydrophobicContact CB-CE1 4.19Å; A320-L329 HydrophobicContact CB-CD1 4.21Å; A320-L329 HydrophobicContact CB-CD2 4.05Å; A320-S364 VanDerWaalsContact O-CA 3.28Å; A320-S364 WeakPolarHBondContact O-CA 3.38Å; A320-S364 WeakPolarHBondContact O-CB 3.27Å; A320-Q365 PolarHBondContact N-O 3.19Å; A320-Q365 PolarHBondContact O-N 2.91Å; A320-V387 HydrophobicContact CB-CG1 4.33Å |
| 321 | S | 96.4 | Very high | 93.3 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 146.1 | -174.4 | 60 | 0 | 0 | 0 | 0 | 113.5 | P295 R296 F323 S364 | P295-S321 WeakPolarHBondContact CA-O 3.36Å; R296-S321 WeakPolarHBondContact CB-OG 3.29Å; R296-S321 PolarHBondContact N-O 2.78Å; R296-S321 PolarHBondContact O-N 2.7Å; R296-S321 PolarHBondContact O-OG 3.03Å; R296-S321 VanDerWaalsContact O-OG 3.07Å; S321-F323 PolarHBondContact O-N 2.99Å; S321-S364 WeakPolarHBondContact CA-OG 3.06Å |
| 322 | H | 95.4 | Very high | 93.6 | Very high | 59 Ų | 59 | 44.8 Ų | 44.8 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.6 | 61.9 | 174.9 | -65.5 | -75.3 | 0 | 0 | 0 | 115 | K293 H358 D360 S362 V363 S364 | K293-H322 HydrophobicContact CD-CB 4.49Å; K293-H322 WeakPolarHBondContact CD-O 3.22Å; K293-H322 VanDerWaalsContact CE-O 3.28Å; K293-H322 WeakPolarHBondContact CE-O 3.2Å; K293-H322 VanDerWaalsContact CG-O 3.26Å; K293-H322 WeakPolarHBondContact CG-O 3.42Å; H322-H358 AromaticContact CE1-CD2 3.82Å; H322-H358 AromaticContact CE1-CE1 3.41Å; H322-H358 PolarHBondContact CE1-CE1 3.12Å; H322-H358 VanDerWaalsContact CE1-CE1 3.41Å; H322-H358 AromaticContact CE1-CG 3.6Å; H322-H358 AromaticContact CE1-ND1 3.35Å; H322-H358 PolarHBondContact CE1-ND1 2.7Å; H322-H358 VanDerWaalsContact CE1-ND1 3.35Å; H322-H358 AromaticContact CE1-NE2 3.7Å; H322-H358 AromaticContact ND1-CD2 3.68Å; H322-H358 AromaticContact ND1-CG 3.75Å; H322-H358 AromaticContact ND1-ND1 3.96Å; H322-H358 AromaticContact ND1-NE2 3.84Å; H322-H358 AromaticContact NE2-CE1 3.85Å; H322-D360 IonicContact ND1-OD2 3.71Å; H322-S362 PolarHBondContact ND1-OG 2.76Å; H322-V363 WeakPolarHBondContact CA-O 3.37Å; H322-V363 PolarHBondContact N-O 2.88Å; H322-S364 PolarHBondContact N-OG 2.71Å |
| 323 | F | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 163.6 | 175.3 | 70.2 | -86.3 | 0 | 0 | 0 | 112.5 | K293 P295 A320 S321 P325 L329 V363 Q365 H389 | K293-F323 WeakPolarHBondContact O-CA 3.36Å; P295-F323 HydrophobicContact CB-CB 3.67Å; P295-F323 HydrophobicContact CB-CD1 4.19Å; P295-F323 HydrophobicContact CB-CG 4.14Å; P295-F323 HydrophobicContact CG-CB 4.24Å; A320-F323 HydrophobicContact CB-CD1 4.28Å; A320-F323 HydrophobicContact CB-CE1 4.19Å; S321-F323 PolarHBondContact O-N 2.99Å; F323-P325 VanDerWaalsContact CD2-O 3.25Å; F323-P325 WeakPolarHBondContact CD2-O 3.46Å; F323-P325 WeakPolarHBondContact CE2-O 3.41Å; F323-L329 HydrophobicContact CD1-CD1 4.47Å; F323-L329 HydrophobicContact CD2-CD1 4.22Å; F323-L329 HydrophobicContact CE1-CD1 4.2Å; F323-L329 HydrophobicContact CE1-CD2 3.96Å; F323-L329 HydrophobicContact CE2-CB 4.01Å; F323-L329 HydrophobicContact CE2-CD1 3.96Å; F323-L329 HydrophobicContact CE2-CD2 4.35Å; F323-L329 HydrophobicContact CE2-CG 4.32Å; F323-L329 HydrophobicContact CG-CD1 4.49Å; F323-L329 HydrophobicContact CZ-CB 4.11Å; F323-L329 HydrophobicContact CZ-CD1 3.96Å; F323-L329 HydrophobicContact CZ-CD2 3.65Å; F323-L329 HydrophobicContact CZ-CG 4.11Å; F323-V363 HydrophobicContact CD1-CG2 4.31Å; F323-V363 WeakPolarHBondContact CD1-O 3.37Å; F323-V363 HydrophobicContact CD2-CG2 3.89Å; F323-V363 HydrophobicContact CE1-CG2 4.01Å; F323-V363 HydrophobicContact CE2-CG2 3.55Å; F323-V363 HydrophobicContact CG-CG2 4.24Å; F323-V363 HydrophobicContact CZ-CG2 3.6Å; F323-V363 PolarHBondContact N-O 2.89Å; F323-V363 WeakPolarHBondContact O-CG2 3.4Å; F323-V363 PolarHBondContact O-N 2.88Å; F323-Q365 HydrophobicContact CE1-CB 4.26Å; F323-Q365 HydrophobicContact CZ-CB 4.34Å; F323-H389 AromaticContact CD2-NE2 3.83Å |
| 324 | F | 95.4 | Very high | 94.1 | Very high | 25 Ų | 25 | 44.2 Ų | 44.2 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -160.9 | 141.8 | 175.4 | -170.2 | -88.4 | 0 | 0 | 0 | 109 | L175 P266 E269 V291 H292 K293 H389 | L175-F324 HydrophobicContact CD1-CB 4.11Å; L175-F324 HydrophobicContact CD1-CG 4.4Å; P266-F324 HydrophobicContact CB-CD2 4.18Å; P266-F324 HydrophobicContact CB-CE1 4.28Å; P266-F324 HydrophobicContact CB-CE2 3.57Å; P266-F324 HydrophobicContact CB-CZ 3.64Å; P266-F324 HydrophobicContact CG-CD1 4.5Å; P266-F324 HydrophobicContact CG-CD2 3.8Å; P266-F324 HydrophobicContact CG-CE1 4.45Å; P266-F324 HydrophobicContact CG-CE2 3.73Å; P266-F324 HydrophobicContact CG-CG 4.21Å; P266-F324 HydrophobicContact CG-CZ 4.08Å; E269-F324 WeakPolarHBondContact OE1-CE1 3.17Å; E269-F324 WeakPolarHBondContact OE2-CE1 3.5Å; E269-F324 WeakPolarHBondContact OE2-CZ 3.37Å; V291-F324 HydrophobicContact CB-CD1 4.23Å; V291-F324 HydrophobicContact CB-CE1 4.21Å; V291-F324 HydrophobicContact CG1-CD1 4.13Å; V291-F324 WeakPolarHBondContact O-CD1 3.49Å; H292-F324 CarbonylContact C-O 3.58Å; H292-F324 WeakPolarHBondContact CA-O 3.27Å; K293-F324 HydrophobicContact CB-CB 4.17Å; K293-F324 PolarHBondContact N-O 3.09Å; K293-F324 PolarHBondContact O-N 2.91Å; K293-F324 VanDerWaalsContact O-N 3.16Å; F324-H389 PolarHBondContact O-CE1 2.83Å |
| 325 | P | 95 | Very high | 94 | Very high | 41 Ų | 41 | 42.8 Ų | 42.8 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | cis | -67 | 171 | -1.4 | 28 | -35.7 | 0 | 0 | 0 | 113.9 | F323 H389 | F323-P325 VanDerWaalsContact CD2-O 3.25Å; F323-P325 WeakPolarHBondContact CD2-O 3.46Å; F323-P325 WeakPolarHBondContact CE2-O 3.41Å; P325-H389 PolarHBondContact O-NE2 3.39Å | ||
| 326 | A | 92.3 | Very high | 93.7 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -78.6 | -26 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I355 V363 | A326-I355 HydrophobicContact CB-CD1 4.42Å; A326-V363 HydrophobicContact CB-CG1 4.21Å; A326-V363 HydrophobicContact CB-CG2 3.78Å |
| 327 | E | 90.7 | Very high | 92.7 | Very high | 168 Ų | 168 | 45.9 Ų | 45.9 | 79% | 0.785 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 148.5 | -178.1 | -62.9 | 175.7 | -172.4 | 0 | 0 | 111.5 | ||
| 328 | G | 88 | Confident | 91.1 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 59% | 0.588 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 17.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 329 | L | 94.3 | Very high | 88.8 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 11% | 0.105 | 30% | 0.295 | C | S | . | . | trans | -76.7 | 122.9 | 166.4 | -169.4 | 85.1 | 0 | 0 | 0 | 109.9 | A320 F323 V331 Q365 V387 Y388 H389 | A320-L329 HydrophobicContact CB-CD1 4.21Å; A320-L329 HydrophobicContact CB-CD2 4.05Å; F323-L329 HydrophobicContact CD1-CD1 4.47Å; F323-L329 HydrophobicContact CD2-CD1 4.22Å; F323-L329 HydrophobicContact CE1-CD1 4.2Å; F323-L329 HydrophobicContact CE1-CD2 3.96Å; F323-L329 HydrophobicContact CE2-CB 4.01Å; F323-L329 HydrophobicContact CE2-CD1 3.96Å; F323-L329 HydrophobicContact CE2-CD2 4.35Å; F323-L329 HydrophobicContact CE2-CG 4.32Å; F323-L329 HydrophobicContact CG-CD1 4.49Å; F323-L329 HydrophobicContact CZ-CB 4.11Å; F323-L329 HydrophobicContact CZ-CD1 3.96Å; F323-L329 HydrophobicContact CZ-CD2 3.65Å; F323-L329 HydrophobicContact CZ-CG 4.11Å; L329-V331 HydrophobicContact CD2-CG2 4.33Å; L329-Q365 HydrophobicContact CD2-CB 3.92Å; L329-Q365 HydrophobicContact CD2-CG 4.49Å; L329-Q365 VanDerWaalsContact CD2-OE1 3.3Å; L329-V387 HydrophobicContact CD1-CG1 3.5Å; L329-V387 VanDerWaalsContact CD1-CG1 3.5Å; L329-V387 HydrophobicContact CG-CG1 4.25Å; L329-Y388 WeakPolarHBondContact CA-O 3.46Å; L329-H389 HydrophobicContact CD1-CB 4.23Å | ||
| 330 | E | 93.9 | Very high | 86.7 | Confident | 97 Ų | 97 | 52 Ų | 52 | 45% | 0.453 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.5 | 169.1 | -57.9 | -176.6 | 178.2 | 0 | 0 | 110.7 | K332 V387 Y388 | E330-K332 VanDerWaalsContact OE2-CE 3.22Å; E330-K332 WeakPolarHBondContact OE2-CE 3.45Å; E330-K332 IonicContact OE2-NZ 3.87Å; E330-K332 PolarHBondContact OE2-NZ 2.79Å; E330-V387 CarbonylContact O-C 3.59Å; E330-V387 WeakPolarHBondContact O-CA 3.4Å; E330-Y388 HydrophobicContact CB-CD2 4.46Å; E330-Y388 PolarHBondContact N-O 2.9Å; E330-Y388 PolarHBondContact O-N 2.81Å |
| 331 | V | 94.8 | Very high | 84.7 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121 | 174 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | L329 L352 C385 V387 | L329-V331 HydrophobicContact CD2-CG2 4.33Å; V331-L352 HydrophobicContact CB-CD2 4.06Å; V331-L352 HydrophobicContact CG2-CD2 3.79Å; V331-C385 VanDerWaalsContact CG1-SG 3.52Å; V331-V387 HydrophobicContact CG2-CG2 4.42Å |
| 332 | K | 93.9 | Very high | 83.1 | Confident | 94 Ų | 94 | 58.1 Ų | 58.1 | 41% | 0.409 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.9 | 176.7 | -63.2 | -172.7 | -174.6 | 151.8 | 0 | 109.9 | E330 R386 Y388 | E330-K332 VanDerWaalsContact OE2-CE 3.22Å; E330-K332 WeakPolarHBondContact OE2-CE 3.45Å; E330-K332 IonicContact OE2-NZ 3.87Å; E330-K332 PolarHBondContact OE2-NZ 2.79Å; K332-R386 PolarHBondContact N-O 2.85Å; K332-R386 PolarHBondContact O-N 2.91Å; K332-Y388 HydrophobicContact CB-CE2 4.24Å; K332-Y388 HydrophobicContact CD-CD2 4.28Å; K332-Y388 HydrophobicContact CD-CE2 3.68Å; K332-Y388 HydrophobicContact CG-CD2 4.38Å; K332-Y388 HydrophobicContact CG-CE2 4.02Å |
| 333 | W | 93.4 | Very high | 82 | Confident | 16 Ų | 16 | 58.9 Ų | 58.9 | 6% | 0.061 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.1 | 177.4 | -67.3 | 100.5 | 0 | 0 | 0 | 110.2 | L299 L316 C318 V346 M350 L369 V384 C385 | L299-W333 HydrophobicContact CD1-CH2 3.43Å; L299-W333 VanDerWaalsContact CD1-CH2 3.43Å; L299-W333 HydrophobicContact CD1-CZ3 3.61Å; L316-W333 HydrophobicContact CB-CH2 3.88Å; L316-W333 HydrophobicContact CB-CZ3 4.19Å; L316-W333 HydrophobicContact CD1-CZ3 4.39Å; C318-W333 HydrophobicContact CB-CH2 3.57Å; C318-W333 HydrophobicContact CB-CZ2 3.56Å; C318-W333 HydrophobicContact CB-CZ3 4.47Å; W333-V346 HydrophobicContact CB-CB 4.02Å; W333-V346 HydrophobicContact CB-CG2 3.93Å; W333-M350 HydrophobicContact CB-SD 4.31Å; W333-M350 HydrophobicContact CG-SD 4.37Å; W333-L369 HydrophobicContact CB-CD2 4.27Å; W333-L369 HydrophobicContact CD2-CB 3.94Å; W333-L369 HydrophobicContact CD2-CD2 3.56Å; W333-L369 HydrophobicContact CD2-CG 4.32Å; W333-L369 HydrophobicContact CE3-CB 4.36Å; W333-L369 HydrophobicContact CE3-CD2 3.47Å; W333-L369 VanDerWaalsContact CE3-CD2 3.47Å; W333-L369 HydrophobicContact CG-CB 4.43Å; W333-L369 HydrophobicContact CG-CD2 3.94Å; W333-L369 HydrophobicContact CH2-CB 4.01Å; W333-L369 HydrophobicContact CH2-CD2 4.35Å; W333-L369 HydrophobicContact CZ2-CB 3.6Å; W333-L369 HydrophobicContact CZ2-CD2 4.47Å; W333-L369 HydrophobicContact CZ3-CB 4.38Å; W333-L369 HydrophobicContact CZ3-CD2 3.88Å; W333-V384 WeakPolarHBondContact CA-O 3.36Å; W333-C385 HydrophobicContact CD2-CB 4.39Å; W333-C385 HydrophobicContact CE3-CB 3.85Å; W333-C385 HydrophobicContact CH2-CB 3.97Å; W333-C385 HydrophobicContact CZ2-CB 4.44Å; W333-C385 HydrophobicContact CZ3-CB 3.63Å |
| 334 | E | 92 | Very high | 81.3 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 13% | 0.131 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144 | -179 | -68.3 | 167.6 | -163.8 | 0 | 0 | 109.8 | R336 R344 V384 R386 | E334-R336 IonicContact OE2-NE 2.78Å; E334-R336 IonicContact OE2-NH2 3.56Å; E334-R344 CarbonylContact C-O 3.59Å; E334-R344 WeakPolarHBondContact CA-O 3.5Å; E334-V384 HydrophobicContact CB-CB 4.18Å; E334-V384 PolarHBondContact N-O 2.87Å; E334-V384 PolarHBondContact O-N 3.45Å; E334-R386 WeakPolarHBondContact OE1-CD 3.29Å; E334-R386 IonicContact OE1-CZ 3.35Å; E334-R386 IonicContact OE1-NE 3.71Å; E334-R386 PolarHBondContact OE1-NE 2.88Å; E334-R386 IonicContact OE1-NH2 3.43Å; E334-R386 IonicContact OE2-CZ 3.27Å; E334-R386 IonicContact OE2-NE 3.22Å; E334-R386 PolarHBondContact OE2-NE 2.88Å; E334-R386 IonicContact OE2-NH2 2.64Å; E334-R386 PolarHBondContact OE2-NH2 3.3Å |
| 335 | L | 88.8 | Confident | 80.7 | Confident | 34 Ų | 34 | 72.1 Ų | 72.1 | 18% | 0.178 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.9 | 171 | -164.5 | 72.1 | 0 | 0 | 0 | 108.8 | S343 R344 V346 V381 Y383 | L335-S343 WeakPolarHBondContact O-CA 3.33Å; L335-R344 HydrophobicContact CB-CB 4.42Å; L335-R344 PolarHBondContact N-O 2.93Å; L335-R344 PolarHBondContact O-N 2.9Å; L335-V346 HydrophobicContact CB-CG2 4.05Å; L335-V381 HydrophobicContact CD1-CG1 3.27Å; L335-V381 HydrophobicContact CD2-CG1 3.98Å; L335-V381 HydrophobicContact CG-CG1 3.43Å; L335-V381 VanDerWaalsContact CG-CG1 3.43Å; L335-Y383 HydrophobicContact CD1-CD1 3.53Å; L335-Y383 HydrophobicContact CD1-CD2 4.34Å; L335-Y383 HydrophobicContact CD1-CE1 3.28Å; L335-Y383 HydrophobicContact CD1-CE2 4.13Å; L335-Y383 HydrophobicContact CD1-CG 4.07Å |
| 336 | R | 85.9 | Confident | 80.2 | Confident | 109 Ų | 109 | 70.5 Ų | 70.5 | 41% | 0.411 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.9 | 176.8 | -66.3 | -173.9 | -176.2 | -171.9 | -14.8 | 110.4 | E334 V381 H382 V384 | E334-R336 IonicContact OE2-NE 2.78Å; E334-R336 IonicContact OE2-NH2 3.56Å; R336-V381 WeakPolarHBondContact O-CG1 3.28Å; R336-H382 HydrophobicContact CB-CB 4.23Å; R336-H382 PolarHBondContact N-O 2.83Å; R336-H382 WeakPolarHBondContact O-CA 3.5Å; R336-H382 WeakPolarHBondContact O-CB 3.4Å; R336-H382 PolarHBondContact O-N 2.81Å; R336-V384 HydrophobicContact CB-CG2 4.35Å; R336-V384 HydrophobicContact CG-CG2 3.91Å |
| 337 | G | 73.3 | Confident | 79.7 | Confident | 39 Ų | 39 | 76.5 Ų | 76.5 | 40% | 0.402 | 45% | 0.447 | S | S | . | . | trans | 96.1 | 123.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V381 | G337-V381 VanDerWaalsContact O-CG1 3.26Å; G337-V381 WeakPolarHBondContact O-CG1 3.23Å; G337-V381 WeakPolarHBondContact O-CG2 3.29Å | ||
| 338 | G | 63 | Low | 79.4 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 44% | 0.443 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 147.4 | 164 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G340 G341 | G338-G340 PolarHBondContact O-N 2.97Å; G338-G341 PolarHBondContact O-N 2.84Å |
| 339 | P | 47.6 | Very low | 79.5 | Confident | 119 Ų | 119 | 74.3 Ų | 74.3 | 77% | 0.773 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 101.5 | -178.6 | 25.3 | -31.3 | 0 | 0 | 0 | 109.2 | R344 | P339-R344 PolarHBondContact O-NH2 2.79Š|
| 340 | G | 52.7 | Low | 79.5 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 62% | 0.619 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 137.1 | -7.7 | 178 | 0 | 0 | 0 | 0 | 0 | 117 | G338 S342 | G338-G340 PolarHBondContact O-N 2.97Å; G340-S342 PolarHBondContact O-N 2.76Å |
| 341 | G | 57 | Low | 79.5 | Confident | 79 Ų | 79 | 78 Ų | 78 | 81% | 0.814 | 44% | 0.443 | S | S | * | . | trans | 62.8 | -8.2 | 169 | 0 | 0 | 0 | 0 | 0 | 117.8 | G338 | G338-G341 PolarHBondContact O-N 2.84Š| ||
| 342 | S | 62.2 | Low | 79.5 | Confident | 71 Ų | 71 | 81 Ų | 81 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -89.6 | 145.9 | 179.7 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | G340 R344 | G340-S342 PolarHBondContact O-N 2.76Å; S342-R344 PolarHBondContact O-N 2.79Å |
| 343 | S | 72.4 | Confident | 79.5 | Confident | 74 Ų | 74 | 77.5 Ų | 77.5 | 52% | 0.517 | 45% | 0.445 | S | S | . | . | trans | -64.8 | 123.6 | 171.2 | 56.2 | 0 | 0 | 0 | 0 | 109.8 | L335 | L335-S343 WeakPolarHBondContact O-CA 3.33Š| ||
| 344 | R | 81.5 | Confident | 79.5 | Confident | 125 Ų | 125 | 82.5 Ų | 82.5 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 155 | 177.3 | -64.2 | -178.4 | -177.1 | 170.3 | 3.8 | 110.7 | E334 L335 P339 S342 | E334-R344 CarbonylContact C-O 3.59Å; E334-R344 WeakPolarHBondContact CA-O 3.5Å; L335-R344 HydrophobicContact CB-CB 4.42Å; L335-R344 PolarHBondContact N-O 2.93Å; L335-R344 PolarHBondContact O-N 2.9Å; P339-R344 PolarHBondContact O-NH2 2.79Å; S342-R344 PolarHBondContact O-N 2.79Å |
| 345 | K | 81.4 | Confident | 79.7 | Confident | 178 Ų | 178 | 84.5 Ų | 84.5 | 77% | 0.774 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 135.7 | 171.5 | -169.2 | 176.1 | -179.2 | -178.2 | 0 | 108.9 | ||
| 346 | V | 84.6 | Confident | 80 | Confident | 8 Ų | 8 | 88.2 Ų | 88.2 | 5% | 0.048 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 138.4 | 178.7 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | W333 L335 L369 L371 Y383 | W333-V346 HydrophobicContact CB-CB 4.02Å; W333-V346 HydrophobicContact CB-CG2 3.93Å; L335-V346 HydrophobicContact CB-CG2 4.05Å; V346-L369 HydrophobicContact CG1-CD1 3.97Å; V346-L369 HydrophobicContact CG1-CD2 3.84Å; V346-L371 HydrophobicContact CG1-CD2 3.89Å; V346-Y383 HydrophobicContact CG1-CD1 4.02Å; V346-Y383 HydrophobicContact CG1-CE1 3.83Å; V346-Y383 HydrophobicContact CG2-CD1 4.04Å; V346-Y383 HydrophobicContact CG2-CE1 4.41Å |
| 347 | E | 82.9 | Confident | 80.4 | Confident | 157 Ų | 157 | 90 Ų | 90 | 73% | 0.734 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 138 | 169.1 | -65.1 | 178.7 | -174.4 | 0 | 0 | 109.9 | P372 | E347-P372 VanDerWaalsContact O-CD 3.32Å; E347-P372 WeakPolarHBondContact O-CD 3.3Å |
| 348 | G | 84.7 | Confident | 81.5 | Confident | 35 Ų | 35 | 91 Ų | 91 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | S | Bend | trans | 148.7 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q370 | G348-Q370 VanDerWaalsContact CA-O 3.26Å; G348-Q370 WeakPolarHBondContact CA-O 3.4Å |
| 349 | K | 90.1 | Very high | 82.8 | Confident | 145 Ų | 145 | 95.5 Ų | 95.5 | 63% | 0.63 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 129.6 | 172.2 | -65.5 | 177.8 | -177.1 | 175.5 | 0 | 108.6 | W351 L369 Q370 | K349-W351 HydrophobicContact CB-CE3 4.2Å; K349-W351 HydrophobicContact CB-CZ3 3.78Å; K349-L369 WeakPolarHBondContact O-CA 3.48Å; K349-Q370 HydrophobicContact CB-CB 4.29Å; K349-Q370 PolarHBondContact N-O 2.84Å; K349-Q370 PolarHBondContact O-N 3.4Å |
| 350 | M | 93.7 | Very high | 84.9 | Confident | 91 Ų | 91 | 92.3 Ų | 92.3 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.8 | -178.6 | -66.8 | 167.1 | -77.6 | 0 | 0 | 109.8 | W333 H368 L369 | W333-M350 HydrophobicContact CB-SD 4.31Å; W333-M350 HydrophobicContact CG-SD 4.37Å; M350-H368 WeakPolarHBondContact CA-O 3.03Å; M350-L369 HydrophobicContact CG-CD1 3.7Å |
| 351 | W | 93.6 | Very high | 86.7 | Confident | 104 Ų | 104 | 90.7 Ų | 90.7 | 39% | 0.394 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 162.6 | 173.5 | 60.8 | 93.5 | 0 | 0 | 0 | 111 | E315 K349 H368 Q370 | E315-W351 WeakPolarHBondContact OE1-CZ2 3.35Å; K349-W351 HydrophobicContact CB-CE3 4.2Å; K349-W351 HydrophobicContact CB-CZ3 3.78Å; W351-H368 AromaticContact CD1-CD2 3.96Å; W351-H368 AromaticContact CD1-CG 3.88Å; W351-H368 HydrophobicContact CD2-CB 3.75Å; W351-H368 AromaticContact CE2-CG 3.86Å; W351-H368 HydrophobicContact CE3-CB 4.49Å; W351-H368 HydrophobicContact CG-CB 4Å; W351-H368 HydrophobicContact CH2-CB 4.44Å; W351-H368 HydrophobicContact CZ2-CB 3.69Å; W351-H368 PolarHBondContact N-O 3.07Å; W351-H368 VanDerWaalsContact N-O 3.15Å; W351-H368 AromaticContact NE1-CD2 3.77Å; W351-H368 AromaticContact NE1-CG 3.33Å; W351-H368 VanDerWaalsContact NE1-CG 3.33Å; W351-H368 AromaticContact NE1-ND1 3.84Å; W351-H368 PolarHBondContact O-N 2.91Å; W351-Q370 HydrophobicContact CH2-CB 3.78Å; W351-Q370 HydrophobicContact CZ3-CB 3.81Å |
| 352 | L | 94.6 | Very high | 88.5 | Confident | 91 Ų | 91 | 87 Ų | 87 | 48% | 0.476 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.2 | 175.6 | -68.3 | 171.9 | 0 | 0 | 0 | 109.3 | V331 | V331-L352 HydrophobicContact CB-CD2 4.06Å; V331-L352 HydrophobicContact CG2-CD2 3.79Å |
| 353 | S | 94.1 | Very high | 90.1 | Very high | 22 Ų | 22 | 83.7 Ų | 83.7 | 15% | 0.154 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 165.9 | 169.6 | 79.4 | 0 | 0 | 0 | 0 | 110.9 | Q365 S366 | S353-Q365 WeakPolarHBondContact O-CG 3.33Å; S353-Q365 PolarHBondContact O-NE2 2.82Å; S353-S366 VanDerWaalsContact CB-OG 3.26Å; S353-S366 WeakPolarHBondContact CB-OG 3.04Å; S353-S366 PolarHBondContact N-O 2.98Å; S353-S366 PolarHBondContact OG-N 2.89Å; S353-S366 PolarHBondContact OG-O 3.01Å; S353-S366 PolarHBondContact OG-OG 3.31Å; S353-S366 VanDerWaalsContact OG-OG 3.08Å |
| 354 | T | 94 | Very high | 91.2 | Very high | 121 Ų | 121 | 80.3 Ų | 80.3 | 74% | 0.742 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 158.3 | 162.6 | 54.2 | 0 | 0 | 0 | 0 | 111 | ||
| 355 | I | 95.1 | Very high | 92 | Very high | 70 Ų | 70 | 75.6 Ų | 75.6 | 36% | 0.359 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 131 | 179.5 | -62.8 | 173.3 | 0 | 0 | 0 | 109.3 | A326 V363 | A326-I355 HydrophobicContact CB-CD1 4.42Å; I355-V363 HydrophobicContact CG2-CB 3.67Å; I355-V363 HydrophobicContact CG2-CG1 3.75Å; I355-V363 HydrophobicContact CG2-CG2 4.39Å |
| 356 | R | 95.7 | Very high | 92.6 | Very high | 111 Ų | 111 | 67.2 Ų | 67.2 | 42% | 0.419 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.2 | 172.4 | -66.6 | -170.2 | -70.2 | -86.2 | 2.4 | 109.8 | V363 S364 | R356-V363 CarbonylContact O-C 3.49Å; R356-V363 VanDerWaalsContact O-CA 3.25Å; R356-V363 WeakPolarHBondContact O-CA 3.44Å; R356-S364 PolarHBondContact N-O 2.76Å; R356-S364 PolarHBondContact O-N 2.03Å |
| 357 | H | 94.8 | Very high | 93.2 | Very high | 146 Ų | 146 | 67 Ų | 67 | 68% | 0.676 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 139.5 | 177.3 | -66.2 | -89 | 0 | 0 | 0 | 111.1 | ||
| 358 | H | 94.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 60.8 Ų | 60.8 | 28% | 0.282 | 32% | 0.323 | S | S | . | . | trans | -106.8 | 160.4 | 175.9 | -65 | -82.2 | 0 | 0 | 0 | 111.2 | H322 D360 G361 S362 S364 | H322-H358 AromaticContact CE1-CD2 3.82Å; H322-H358 AromaticContact CE1-CE1 3.41Å; H322-H358 PolarHBondContact CE1-CE1 3.12Å; H322-H358 VanDerWaalsContact CE1-CE1 3.41Å; H322-H358 AromaticContact CE1-CG 3.6Å; H322-H358 AromaticContact CE1-ND1 3.35Å; H322-H358 PolarHBondContact CE1-ND1 2.7Å; H322-H358 VanDerWaalsContact CE1-ND1 3.35Å; H322-H358 AromaticContact CE1-NE2 3.7Å; H322-H358 AromaticContact ND1-CD2 3.68Å; H322-H358 AromaticContact ND1-CG 3.75Å; H322-H358 AromaticContact ND1-ND1 3.96Å; H322-H358 AromaticContact ND1-NE2 3.84Å; H322-H358 AromaticContact NE2-CE1 3.85Å; H358-D360 WeakPolarHBondContact CB-OD1 3.41Å; H358-D360 PolarHBondContact O-N 3.45Å; H358-G361 PolarHBondContact O-N 2.87Å; H358-S362 WeakPolarHBondContact CB-O 3.22Å; H358-S362 PolarHBondContact CD2-O 2.78Å; H358-S362 PolarHBondContact N-O 2.83Å; H358-S364 PolarHBondContact NE2-OG 2.98Å | ||
| 359 | S | 91.8 | Very high | 94.3 | Very high | 138 Ų | 138 | 59.1 Ų | 59.1 | 97% | 0.965 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -23.2 | 178.4 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | G361 | S359-G361 PolarHBondContact O-N 2.91Š|
| 360 | D | 90.2 | Very high | 94.5 | Very high | 51 Ų | 51 | 56.5 Ų | 56.5 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -2.3 | 172.1 | 72.9 | -14.9 | 0 | 0 | 0 | 112.8 | L175 K293 H322 H358 S362 | L175-D360 HydrophobicContact CD2-CB 4.31Å; K293-D360 IonicContact NZ-OD2 2.7Å; K293-D360 PolarHBondContact NZ-OD2 2.83Å; H322-D360 IonicContact ND1-OD2 3.71Å; H358-D360 WeakPolarHBondContact CB-OD1 3.41Å; H358-D360 PolarHBondContact O-N 3.45Å; D360-S362 VanDerWaalsContact C-N 3.26Å; D360-S362 PolarHBondContact O-N 2.85Å; D360-S362 VanDerWaalsContact OD1-CB 3.27Å; D360-S362 WeakPolarHBondContact OD1-CB 3.45Å; D360-S362 PolarHBondContact OD1-N 2.88Å; D360-S362 PolarHBondContact OD1-OG 2.94Å; D360-S362 PolarHBondContact OD2-OG 2.91Å; D360-S362 VanDerWaalsContact OD2-OG 3.08Å |
| 361 | G | 90.7 | Very high | 94.3 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 82.6 | -5.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | H358 S359 | H358-G361 PolarHBondContact O-N 2.87Å; S359-G361 PolarHBondContact O-N 2.91Å |
| 362 | S | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -71.6 | 163.6 | 172.2 | 71 | 0 | 0 | 0 | 0 | 111.2 | H322 H358 D360 | H322-S362 PolarHBondContact ND1-OG 2.76Å; H358-S362 WeakPolarHBondContact CB-O 3.22Å; H358-S362 PolarHBondContact CD2-O 2.78Å; H358-S362 PolarHBondContact N-O 2.83Å; D360-S362 VanDerWaalsContact C-N 3.26Å; D360-S362 PolarHBondContact O-N 2.85Å; D360-S362 VanDerWaalsContact OD1-CB 3.27Å; D360-S362 WeakPolarHBondContact OD1-CB 3.45Å; D360-S362 PolarHBondContact OD1-N 2.88Å; D360-S362 PolarHBondContact OD1-OG 2.94Å; D360-S362 PolarHBondContact OD2-OG 2.91Å; D360-S362 VanDerWaalsContact OD2-OG 3.08Å | ||
| 363 | V | 96.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 164.4 | 178.1 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | H322 F323 A326 I355 R356 | H322-V363 WeakPolarHBondContact CA-O 3.37Å; H322-V363 PolarHBondContact N-O 2.88Å; F323-V363 HydrophobicContact CD1-CG2 4.31Å; F323-V363 WeakPolarHBondContact CD1-O 3.37Å; F323-V363 HydrophobicContact CD2-CG2 3.89Å; F323-V363 HydrophobicContact CE1-CG2 4.01Å; F323-V363 HydrophobicContact CE2-CG2 3.55Å; F323-V363 HydrophobicContact CG-CG2 4.24Å; F323-V363 HydrophobicContact CZ-CG2 3.6Å; F323-V363 PolarHBondContact N-O 2.89Å; F323-V363 WeakPolarHBondContact O-CG2 3.4Å; F323-V363 PolarHBondContact O-N 2.88Å; A326-V363 HydrophobicContact CB-CG1 4.21Å; A326-V363 HydrophobicContact CB-CG2 3.78Å; I355-V363 HydrophobicContact CG2-CB 3.67Å; I355-V363 HydrophobicContact CG2-CG1 3.75Å; I355-V363 HydrophobicContact CG2-CG2 4.39Å; R356-V363 CarbonylContact O-C 3.49Å; R356-V363 VanDerWaalsContact O-CA 3.25Å; R356-V363 WeakPolarHBondContact O-CA 3.44Å |
| 364 | S | 96.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 145.7 | 173 | -61.8 | 0 | 0 | 0 | 0 | 111 | A320 S321 H322 R356 H358 | A320-S364 VanDerWaalsContact O-CA 3.28Å; A320-S364 WeakPolarHBondContact O-CA 3.38Å; A320-S364 WeakPolarHBondContact O-CB 3.27Å; S321-S364 WeakPolarHBondContact CA-OG 3.06Å; H322-S364 PolarHBondContact N-OG 2.71Å; R356-S364 PolarHBondContact N-O 2.76Å; R356-S364 PolarHBondContact O-N 2.03Å; H358-S364 PolarHBondContact NE2-OG 2.98Å |
| 365 | Q | 96.4 | Very high | 92.9 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 144 | 179.9 | -166.3 | 171.3 | 34.1 | 0 | 0 | 108.9 | A320 F323 L329 S353 | A320-Q365 PolarHBondContact N-O 3.19Å; A320-Q365 PolarHBondContact O-N 2.91Å; F323-Q365 HydrophobicContact CE1-CB 4.26Å; F323-Q365 HydrophobicContact CZ-CB 4.34Å; L329-Q365 HydrophobicContact CD2-CB 3.92Å; L329-Q365 HydrophobicContact CD2-CG 4.49Å; L329-Q365 VanDerWaalsContact CD2-OE1 3.3Å; S353-Q365 WeakPolarHBondContact O-CG 3.33Å; S353-Q365 PolarHBondContact O-NE2 2.82Å |
| 366 | S | 95.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.7 | 174.9 | 43.8 | 0 | 0 | 0 | 0 | 111.1 | C318 S353 H368 | C318-S366 CarbonylContact O-C 3.59Å; C318-S366 VanDerWaalsContact O-CA 3.25Å; C318-S366 WeakPolarHBondContact O-CA 3.36Å; S353-S366 VanDerWaalsContact CB-OG 3.26Å; S353-S366 WeakPolarHBondContact CB-OG 3.04Å; S353-S366 PolarHBondContact N-O 2.98Å; S353-S366 PolarHBondContact OG-N 2.89Å; S353-S366 PolarHBondContact OG-O 3.01Å; S353-S366 PolarHBondContact OG-OG 3.31Å; S353-S366 VanDerWaalsContact OG-OG 3.08Å; S366-H368 PolarHBondContact O-CD2 2.81Å; S366-H368 PolarHBondContact OG-NE2 3.18Å |
| 367 | G | 95.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 132.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | C318 | C318-G367 PolarHBondContact N-O 3.31Å; C318-G367 PolarHBondContact O-N 2.96Å |
| 368 | H | 95.9 | Very high | 90.5 | Very high | 27 Ų | 27 | 44 Ų | 44 | 13% | 0.125 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136.7 | -177.1 | -66.1 | -103.8 | 0 | 0 | 0 | 108.8 | E315 M350 W351 S366 | E315-H368 WeakPolarHBondContact OE1-CB 3.29Å; E315-H368 IonicContact OE1-CE1 3.56Å; E315-H368 IonicContact OE1-CG 2.79Å; E315-H368 IonicContact OE1-ND1 3.61Å; E315-H368 PolarHBondContact OE1-ND1 2.83Å; M350-H368 WeakPolarHBondContact CA-O 3.03Å; W351-H368 AromaticContact CD1-CD2 3.96Å; W351-H368 AromaticContact CD1-CG 3.88Å; W351-H368 HydrophobicContact CD2-CB 3.75Å; W351-H368 AromaticContact CE2-CG 3.86Å; W351-H368 HydrophobicContact CE3-CB 4.49Å; W351-H368 HydrophobicContact CG-CB 4Å; W351-H368 HydrophobicContact CH2-CB 4.44Å; W351-H368 HydrophobicContact CZ2-CB 3.69Å; W351-H368 PolarHBondContact N-O 3.07Å; W351-H368 VanDerWaalsContact N-O 3.15Å; W351-H368 AromaticContact NE1-CD2 3.77Å; W351-H368 AromaticContact NE1-CG 3.33Å; W351-H368 VanDerWaalsContact NE1-CG 3.33Å; W351-H368 AromaticContact NE1-ND1 3.84Å; W351-H368 PolarHBondContact O-N 2.91Å; S366-H368 PolarHBondContact O-CD2 2.81Å; S366-H368 PolarHBondContact OG-NE2 3.18Å |
| 369 | L | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 114.1 | 177.5 | 168.9 | 65.4 | 0 | 0 | 0 | 109.3 | L316 W333 V346 K349 M350 L371 Y383 | L316-L369 HydrophobicContact CB-CB 4.26Å; L316-L369 HydrophobicContact CD1-CD2 4.09Å; L316-L369 PolarHBondContact N-O 3.08Å; L316-L369 PolarHBondContact O-N 3.16Å; W333-L369 HydrophobicContact CB-CD2 4.27Å; W333-L369 HydrophobicContact CD2-CB 3.94Å; W333-L369 HydrophobicContact CD2-CD2 3.56Å; W333-L369 HydrophobicContact CD2-CG 4.32Å; W333-L369 HydrophobicContact CE3-CB 4.36Å; W333-L369 HydrophobicContact CE3-CD2 3.47Å; W333-L369 VanDerWaalsContact CE3-CD2 3.47Å; W333-L369 HydrophobicContact CG-CB 4.43Å; W333-L369 HydrophobicContact CG-CD2 3.94Å; W333-L369 HydrophobicContact CH2-CB 4.01Å; W333-L369 HydrophobicContact CH2-CD2 4.35Å; W333-L369 HydrophobicContact CZ2-CB 3.6Å; W333-L369 HydrophobicContact CZ2-CD2 4.47Å; W333-L369 HydrophobicContact CZ3-CB 4.38Å; W333-L369 HydrophobicContact CZ3-CD2 3.88Å; V346-L369 HydrophobicContact CG1-CD1 3.97Å; V346-L369 HydrophobicContact CG1-CD2 3.84Å; K349-L369 WeakPolarHBondContact O-CA 3.48Å; M350-L369 HydrophobicContact CG-CD1 3.7Å; L369-L371 HydrophobicContact CD1-CD2 4.25Å; L369-L371 HydrophobicContact CD2-CD2 3.96Å; L369-L371 HydrophobicContact CG-CD2 4.04Å; L369-L371 HydrophobicContact CG-CG 4.34Å; L369-Y383 HydrophobicContact CD2-CD1 4.44Å |
| 370 | Q | 94 | Very high | 89.6 | Confident | 91 Ų | 91 | 38.8 Ų | 38.8 | 43% | 0.425 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 114.8 | 171.9 | -172.4 | 177.5 | 19.1 | 0 | 0 | 109.4 | G348 K349 W351 | G348-Q370 VanDerWaalsContact CA-O 3.26Å; G348-Q370 WeakPolarHBondContact CA-O 3.4Å; K349-Q370 HydrophobicContact CB-CB 4.29Å; K349-Q370 PolarHBondContact N-O 2.84Å; K349-Q370 PolarHBondContact O-N 3.4Å; W351-Q370 HydrophobicContact CH2-CB 3.78Å; W351-Q370 HydrophobicContact CZ3-CB 3.81Å |
| 371 | L | 90.2 | Very high | 89.5 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -81.5 | 145.7 | -177.1 | -68.3 | 173.3 | 0 | 0 | 0 | 111.7 | P313 L316 V346 L369 Y383 | P313-L371 HydrophobicContact CB-CD1 4.07Å; P313-L371 HydrophobicContact CG-CB 4.24Å; P313-L371 HydrophobicContact CG-CD1 3.98Å; L316-L371 HydrophobicContact CD1-CD1 3.93Å; L316-L371 HydrophobicContact CG-CD1 4.25Å; V346-L371 HydrophobicContact CG1-CD2 3.89Å; L369-L371 HydrophobicContact CD1-CD2 4.25Å; L369-L371 HydrophobicContact CD2-CD2 3.96Å; L369-L371 HydrophobicContact CG-CD2 4.04Å; L369-L371 HydrophobicContact CG-CG 4.34Å; L371-Y383 HydrophobicContact CD1-CD1 4.41Å; L371-Y383 HydrophobicContact CD1-CD2 4.29Å; L371-Y383 HydrophobicContact CD1-CE1 3.99Å; L371-Y383 HydrophobicContact CD1-CE2 3.86Å; L371-Y383 HydrophobicContact CD2-CD1 3.96Å; L371-Y383 HydrophobicContact CD2-CE1 3.31Å; L371-Y383 HydrophobicContact CG-CE1 4.31Å |
| 372 | P | 88.4 | Confident | 89.5 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 33% | 0.325 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 167.9 | 168.2 | 31.6 | -34.5 | 0 | 0 | 0 | 111.3 | E347 V374 | E347-P372 VanDerWaalsContact O-CD 3.32Å; E347-P372 WeakPolarHBondContact O-CD 3.3Å; P372-V374 PolarHBondContact O-N 2.82Å |
| 373 | P | 88.4 | Confident | 89.3 | Confident | 79 Ų | 79 | 39 Ų | 39 | 51% | 0.513 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -53 | 130.9 | 173.9 | -28.3 | 36.8 | 0 | 0 | 0 | 113 | E311 | E311-P373 WeakPolarHBondContact O-CA 3.04Š|
| 374 | V | 86.3 | Confident | 89.1 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -86.9 | 150.6 | -172.8 | -67.5 | 0 | 0 | 0 | 0 | 112.8 | A307 G310 E311 P313 P372 Q378 L403 V405 | A307-V374 HydrophobicContact CB-CG2 3.61Å; G310-V374 PolarHBondContact N-O 2.97Å; E311-V374 WeakPolarHBondContact O-CG2 3.49Å; E311-V374 PolarHBondContact O-N 3.49Å; P313-V374 HydrophobicContact CG-CG1 3.43Å; P313-V374 VanDerWaalsContact CG-CG1 3.43Å; P313-V374 HydrophobicContact CG-CG2 4.37Å; P372-V374 PolarHBondContact O-N 2.82Å; V374-Q378 VanDerWaalsContact CA-OE1 3.29Å; V374-L403 HydrophobicContact CB-CD2 4.21Å; V374-L403 HydrophobicContact CG1-CD1 4.43Å; V374-L403 HydrophobicContact CG1-CD2 3.57Å; V374-V405 HydrophobicContact CG2-CG2 4.24Å |
| 375 | T | 83.2 | Confident | 89 | Confident | 74 Ų | 74 | 38.8 Ų | 38.8 | 45% | 0.454 | 21% | 0.211 | S | C | . | . | trans | -107.3 | 157.9 | 173.8 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | K377 Q378 | T375-K377 PolarHBondContact O-N 3.43Å; T375-Q378 WeakPolarHBondContact O-CB 3.31Å; T375-Q378 PolarHBondContact O-N 2.83Å | ||
| 376 | A | 78.4 | Confident | 89 | Confident | 42 Ų | 42 | 38.9 Ų | 38.9 | 35% | 0.347 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -56.8 | -22.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q378 H379 F408 | A376-Q378 PolarHBondContact O-N 3.12Å; A376-H379 PolarHBondContact O-N 2.79Å; A376-F408 HydrophobicContact CB-CD2 4.22Å; A376-F408 HydrophobicContact CB-CE2 4.2Å |
| 377 | K | 78.1 | Confident | 89 | Confident | 190 Ų | 190 | 38.8 Ų | 38.8 | 83% | 0.826 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -71.9 | -11.8 | 177.1 | -63.2 | -178.1 | -179.3 | 178.3 | 0 | 113.9 | T375 | T375-K377 PolarHBondContact O-N 3.43Š|
| 378 | Q | 78.7 | Confident | 89 | Confident | 49 Ų | 49 | 41.5 Ų | 41.5 | 23% | 0.229 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -99.6 | 7.7 | -178.1 | -66.4 | 168.7 | -36.7 | 0 | 0 | 112.9 | V374 T375 A376 V381 L403 | V374-Q378 VanDerWaalsContact CA-OE1 3.29Å; T375-Q378 WeakPolarHBondContact O-CB 3.31Å; T375-Q378 PolarHBondContact O-N 2.83Å; A376-Q378 PolarHBondContact O-N 3.12Å; Q378-V381 HydrophobicContact CB-CG2 4.36Å; Q378-V381 WeakPolarHBondContact O-CB 3.22Å; Q378-V381 VanDerWaalsContact O-CG2 3.22Å; Q378-V381 WeakPolarHBondContact O-CG2 3.36Å; Q378-V381 PolarHBondContact O-N 2.87Å; Q378-L403 HydrophobicContact CB-CD2 4Å |
| 379 | H | 83.7 | Confident | 89 | Confident | 60 Ų | 60 | 40.9 Ų | 40.9 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 133.8 | 171.9 | 178.2 | 87 | 0 | 0 | 0 | 111 | A376 V381 E404 V405 | A376-H379 PolarHBondContact O-N 2.79Å; H379-V381 VanDerWaalsContact C-N 3.3Å; H379-V381 PolarHBondContact O-N 3.27Å; H379-E404 IonicContact CE1-OE2 2.75Å; H379-E404 PolarHBondContact CE1-OE2 3.47Å; H379-E404 IonicContact ND1-OE2 3.44Å; H379-E404 PolarHBondContact ND1-OE2 3.33Å; H379-E404 IonicContact NE2-OE2 3.9Å; H379-V405 HydrophobicContact CB-CB 4.11Å; H379-V405 HydrophobicContact CB-CG2 4.09Å; H379-V405 PolarHBondContact ND1-N 2.81Å |
| 380 | G | 84.3 | Confident | 88.9 | Confident | 30 Ų | 30 | 44.1 Ų | 44.1 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 12.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L403 | G380-L403 PolarHBondContact N-O 2.86Š|
| 381 | V | 88.2 | Confident | 88.9 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 141 | 179.1 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | L335 R336 G337 Q378 H379 L403 | L335-V381 HydrophobicContact CD1-CG1 3.27Å; L335-V381 HydrophobicContact CD2-CG1 3.98Å; L335-V381 HydrophobicContact CG-CG1 3.43Å; L335-V381 VanDerWaalsContact CG-CG1 3.43Å; R336-V381 WeakPolarHBondContact O-CG1 3.28Å; G337-V381 VanDerWaalsContact O-CG1 3.26Å; G337-V381 WeakPolarHBondContact O-CG1 3.23Å; G337-V381 WeakPolarHBondContact O-CG2 3.29Å; Q378-V381 HydrophobicContact CB-CG2 4.36Å; Q378-V381 WeakPolarHBondContact O-CB 3.22Å; Q378-V381 VanDerWaalsContact O-CG2 3.22Å; Q378-V381 WeakPolarHBondContact O-CG2 3.36Å; Q378-V381 PolarHBondContact O-N 2.87Å; H379-V381 VanDerWaalsContact C-N 3.3Å; H379-V381 PolarHBondContact O-N 3.27Å; V381-L403 PolarHBondContact O-N 2.79Å |
| 382 | H | 90.5 | Very high | 89.1 | Confident | 66 Ų | 66 | 41.7 Ų | 41.7 | 31% | 0.306 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122.6 | 178.7 | -60.3 | -105 | 0 | 0 | 0 | 111.1 | R336 D400 V401 T402 | R336-H382 HydrophobicContact CB-CB 4.23Å; R336-H382 PolarHBondContact N-O 2.83Å; R336-H382 WeakPolarHBondContact O-CA 3.5Å; R336-H382 WeakPolarHBondContact O-CB 3.4Å; R336-H382 PolarHBondContact O-N 2.81Å; H382-D400 IonicContact ND1-OD2 3.91Å; H382-D400 PolarHBondContact ND1-OD2 2.92Å; H382-V401 CarbonylContact C-O 3.52Å; H382-V401 WeakPolarHBondContact CA-O 3.31Å; H382-T402 PolarHBondContact CE1-OG1 2.8Å; H382-T402 VanDerWaalsContact CE1-OG1 3.26Å; H382-T402 PolarHBondContact ND1-OG1 2.86Å |
| 383 | Y | 91.3 | Very high | 89.3 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 126.4 | 166.2 | -69.5 | -85.9 | 0 | 0 | 0 | 109 | L316 L335 V346 L369 L371 D400 V401 L403 | L316-Y383 HydrophobicContact CD1-CD1 4.48Å; L316-Y383 HydrophobicContact CD1-CD2 4.38Å; L316-Y383 HydrophobicContact CD1-CG 3.98Å; L335-Y383 HydrophobicContact CD1-CD1 3.53Å; L335-Y383 HydrophobicContact CD1-CD2 4.34Å; L335-Y383 HydrophobicContact CD1-CE1 3.28Å; L335-Y383 HydrophobicContact CD1-CE2 4.13Å; L335-Y383 HydrophobicContact CD1-CG 4.07Å; V346-Y383 HydrophobicContact CG1-CD1 4.02Å; V346-Y383 HydrophobicContact CG1-CE1 3.83Å; V346-Y383 HydrophobicContact CG2-CD1 4.04Å; V346-Y383 HydrophobicContact CG2-CE1 4.41Å; L369-Y383 HydrophobicContact CD2-CD1 4.44Å; L371-Y383 HydrophobicContact CD1-CD1 4.41Å; L371-Y383 HydrophobicContact CD1-CD2 4.29Å; L371-Y383 HydrophobicContact CD1-CE1 3.99Å; L371-Y383 HydrophobicContact CD1-CE2 3.86Å; L371-Y383 HydrophobicContact CD2-CD1 3.96Å; L371-Y383 HydrophobicContact CD2-CE1 3.31Å; L371-Y383 HydrophobicContact CG-CE1 4.31Å; Y383-D400 CarbonylContact O-C 3.56Å; Y383-D400 WeakPolarHBondContact O-CA 3.44Å; Y383-V401 PolarHBondContact N-O 3.31Å; Y383-V401 PolarHBondContact O-N 3.3Å; Y383-L403 HydrophobicContact CD2-CB 4.16Å; Y383-L403 HydrophobicContact CE2-CB 3.77Å; Y383-L403 HydrophobicContact CE2-CD2 3.8Å; Y383-L403 HydrophobicContact CE2-CG 4.3Å |
| 384 | V | 92.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.4 | -176.2 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | W333 E334 R336 A399 D400 | W333-V384 WeakPolarHBondContact CA-O 3.36Å; E334-V384 HydrophobicContact CB-CB 4.18Å; E334-V384 PolarHBondContact N-O 2.87Å; E334-V384 PolarHBondContact O-N 3.45Å; R336-V384 HydrophobicContact CB-CG2 4.35Å; R336-V384 HydrophobicContact CG-CG2 3.91Å; V384-A399 CarbonylContact C-O 3.56Å; V384-A399 WeakPolarHBondContact CA-O 3.23Å; V384-D400 HydrophobicContact CB-CB 4.37Å; V384-D400 HydrophobicContact CG1-CB 4.45Å; V384-D400 HydrophobicContact CG2-CB 3.8Å |
| 385 | C | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 122.1 | 164.2 | 176.7 | 0 | 0 | 0 | 0 | 109.2 | L299 C318 V331 W333 S398 A399 | L299-C385 HydrophobicContact CD1-CB 4.25Å; C318-C385 HydrophobicContact CB-CB 3.55Å; C318-C385 WeakPolarHBondContact CB-SG 3.35Å; C318-C385 WeakPolarHBondContact SG-CB 3.28Å; C318-C385 CovalentContact SG-SG 2.01Å; C318-C385 PolarHBondContact SG-SG 3.03Å; V331-C385 VanDerWaalsContact CG1-SG 3.52Å; W333-C385 HydrophobicContact CD2-CB 4.39Å; W333-C385 HydrophobicContact CE3-CB 3.85Å; W333-C385 HydrophobicContact CH2-CB 3.97Å; W333-C385 HydrophobicContact CZ2-CB 4.44Å; W333-C385 HydrophobicContact CZ3-CB 3.63Å; C385-S398 CarbonylContact O-C 3.51Å; C385-S398 WeakPolarHBondContact O-CA 3.16Å; C385-S398 WeakPolarHBondContact O-CB 3.28Å; C385-A399 PolarHBondContact N-O 2.82Å; C385-A399 PolarHBondContact O-N 2.82Å |
| 386 | R | 94.9 | Very high | 89.9 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 10% | 0.102 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.3 | 173.5 | -171.5 | -177.2 | -64.4 | -67 | -19 | 110.4 | K332 E334 Y388 S395 | K332-R386 PolarHBondContact N-O 2.85Å; K332-R386 PolarHBondContact O-N 2.91Å; E334-R386 WeakPolarHBondContact OE1-CD 3.29Å; E334-R386 IonicContact OE1-CZ 3.35Å; E334-R386 IonicContact OE1-NE 3.71Å; E334-R386 PolarHBondContact OE1-NE 2.88Å; E334-R386 IonicContact OE1-NH2 3.43Å; E334-R386 IonicContact OE2-CZ 3.27Å; E334-R386 IonicContact OE2-NE 3.22Å; E334-R386 PolarHBondContact OE2-NE 2.88Å; E334-R386 IonicContact OE2-NH2 2.64Å; E334-R386 PolarHBondContact OE2-NH2 3.3Å; R386-Y388 HydrophobicContact CB-CE2 4.31Å; R386-Y388 WeakPolarHBondContact CD-OH 3.3Å; R386-Y388 HydrophobicContact CG-CD2 4.36Å; R386-Y388 HydrophobicContact CG-CE2 3.7Å; R386-S395 PolarHBondContact NH1-O 3.01Å |
| 387 | V | 96.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.5 | 179.4 | -179 | 0 | 0 | 0 | 0 | 109.7 | P295 V297 A320 L329 E330 V331 L392 G396 R397 | P295-V387 HydrophobicContact CG-CG1 4.25Å; V297-V387 HydrophobicContact CB-CG2 4.41Å; V297-V387 HydrophobicContact CG1-CG2 3.78Å; V297-V387 HydrophobicContact CG2-CB 3.75Å; V297-V387 HydrophobicContact CG2-CG1 4.33Å; V297-V387 HydrophobicContact CG2-CG2 3.67Å; A320-V387 HydrophobicContact CB-CG1 4.33Å; L329-V387 HydrophobicContact CD1-CG1 3.5Å; L329-V387 VanDerWaalsContact CD1-CG1 3.5Å; L329-V387 HydrophobicContact CG-CG1 4.25Å; E330-V387 CarbonylContact O-C 3.59Å; E330-V387 WeakPolarHBondContact O-CA 3.4Å; V331-V387 HydrophobicContact CG2-CG2 4.42Å; V387-L392 WeakPolarHBondContact O-CD1 3.32Å; V387-G396 CarbonylContact O-C 3.54Å; V387-G396 WeakPolarHBondContact O-CA 3.43Å; V387-R397 PolarHBondContact N-O 2.8Å; V387-R397 PolarHBondContact O-N 2.8Å |
| 388 | Y | 95.9 | Very high | 91.4 | Very high | 60 Ų | 60 | 42 Ų | 42 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 140.6 | 173.2 | -59.2 | -94.6 | 0 | 0 | 0 | 109.6 | L329 E330 K332 R386 A394 | L329-Y388 WeakPolarHBondContact CA-O 3.46Å; E330-Y388 HydrophobicContact CB-CD2 4.46Å; E330-Y388 PolarHBondContact N-O 2.9Å; E330-Y388 PolarHBondContact O-N 2.81Å; K332-Y388 HydrophobicContact CB-CE2 4.24Å; K332-Y388 HydrophobicContact CD-CD2 4.28Å; K332-Y388 HydrophobicContact CD-CE2 3.68Å; K332-Y388 HydrophobicContact CG-CD2 4.38Å; K332-Y388 HydrophobicContact CG-CE2 4.02Å; R386-Y388 HydrophobicContact CB-CE2 4.31Å; R386-Y388 WeakPolarHBondContact CD-OH 3.3Å; R386-Y388 HydrophobicContact CG-CD2 4.36Å; R386-Y388 HydrophobicContact CG-CE2 3.7Å; Y388-A394 WeakPolarHBondContact CE1-O 3.45Å |
| 389 | H | 95.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 6% | 0.06 | 25% | 0.245 | C | C | . | . | trans | -161.7 | 153.3 | -179.2 | -175.6 | -105 | 0 | 0 | 0 | 109.7 | P295 F323 F324 P325 L329 S391 L392 | P295-H389 HydrophobicContact CG-CB 4.29Å; F323-H389 AromaticContact CD2-NE2 3.83Å; F324-H389 PolarHBondContact O-CE1 2.83Å; P325-H389 PolarHBondContact O-NE2 3.39Å; L329-H389 HydrophobicContact CD1-CB 4.23Å; H389-S391 PolarHBondContact CE1-OG 3.08Å; H389-S391 VanDerWaalsContact CE1-OG 3.23Å; H389-S391 PolarHBondContact ND1-N 2.85Å; H389-S391 PolarHBondContact ND1-OG 3.2Å; H389-S391 PolarHBondContact O-N 2.81Å; H389-S391 VanDerWaalsContact O-N 3.09Å; H389-L392 HydrophobicContact CB-CD1 4.09Å; H389-L392 HydrophobicContact CB-CG 4.2Å; H389-L392 PolarHBondContact O-N 3.09Å | ||
| 390 | S | 93.2 | Very high | 92.5 | Very high | 68 Ų | 68 | 41.7 Ų | 41.7 | 48% | 0.476 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.5 | -177.4 | 63.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 391 | S | 93.1 | Very high | 92.9 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 3.6 | 174.9 | 69.4 | 0 | 0 | 0 | 0 | 114.1 | K293 A294 H389 | K293-S391 PolarHBondContact O-OG 2.93Å; A294-S391 VanDerWaalsContact CA-OG 3.23Å; A294-S391 WeakPolarHBondContact CA-OG 3.41Å; A294-S391 PolarHBondContact N-OG 3.49Å; H389-S391 PolarHBondContact CE1-OG 3.08Å; H389-S391 VanDerWaalsContact CE1-OG 3.23Å; H389-S391 PolarHBondContact ND1-N 2.85Å; H389-S391 PolarHBondContact ND1-OG 3.2Å; H389-S391 PolarHBondContact O-N 2.81Å; H389-S391 VanDerWaalsContact O-N 3.09Å |
| 392 | L | 94.3 | Very high | 93.1 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -105.4 | 159.2 | 173.4 | -68.7 | 176.9 | 0 | 0 | 0 | 111 | A294 P295 V387 H389 R397 | A294-L392 HydrophobicContact CB-CD2 4.1Å; P295-L392 HydrophobicContact CG-CD1 3.71Å; P295-L392 HydrophobicContact CG-CD2 4.38Å; P295-L392 HydrophobicContact CG-CG 4.09Å; V387-L392 WeakPolarHBondContact O-CD1 3.32Å; H389-L392 HydrophobicContact CB-CD1 4.09Å; H389-L392 HydrophobicContact CB-CG 4.2Å; H389-L392 PolarHBondContact O-N 3.09Å; L392-R397 HydrophobicContact CD1-CB 3.82Å; L392-R397 HydrophobicContact CD2-CB 4.07Å |
| 393 | P | 92.5 | Very high | 93 | Very high | 88 Ų | 88 | 38.1 Ų | 38.1 | 57% | 0.571 | 23% | 0.231 | S | C | * | . | trans | -59.8 | 161.2 | 168.1 | -20.5 | 32.8 | 0 | 0 | 0 | 111.9 | S395 G396 | P393-S395 PolarHBondContact O-N 3.27Å; P393-G396 WeakPolarHBondContact O-CA 3.21Å; P393-G396 PolarHBondContact O-N 2.82Å | ||
| 394 | A | 90.6 | Very high | 92.9 | Very high | 103 Ų | 103 | 39.5 Ų | 39.5 | 85% | 0.851 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -25.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y388 G396 | Y388-A394 WeakPolarHBondContact CE1-O 3.45Å; A394-G396 PolarHBondContact O-N 2.83Å |
| 395 | S | 88.8 | Confident | 92.4 | Very high | 77 Ų | 77 | 39.4 Ų | 39.4 | 54% | 0.538 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -10.9 | 174.3 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | R386 P393 | R386-S395 PolarHBondContact NH1-O 3.01Å; P393-S395 PolarHBondContact O-N 3.27Å |
| 396 | G | 92.2 | Very high | 91.6 | Very high | 10 Ų | 10 | 41.5 Ų | 41.5 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | trans | 65.3 | -171.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V387 P393 A394 | V387-G396 CarbonylContact O-C 3.54Å; V387-G396 WeakPolarHBondContact O-CA 3.43Å; P393-G396 WeakPolarHBondContact O-CA 3.21Å; P393-G396 PolarHBondContact O-N 2.82Å; A394-G396 PolarHBondContact O-N 2.83Å | ||
| 397 | R | 94.6 | Very high | 90.4 | Very high | 112 Ų | 112 | 44.3 Ų | 44.3 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 136.4 | 172.9 | 178.2 | 170.8 | -75.1 | 177.4 | -8 | 108.8 | P295 V297 V387 L392 | P295-R397 PolarHBondContact O-NH1 3.49Å; V297-R397 HydrophobicContact CB-CG 4.08Å; V297-R397 HydrophobicContact CG2-CB 4.01Å; V297-R397 HydrophobicContact CG2-CG 3.76Å; V387-R397 PolarHBondContact N-O 2.8Å; V387-R397 PolarHBondContact O-N 2.8Å; L392-R397 HydrophobicContact CD1-CB 3.82Å; L392-R397 HydrophobicContact CD2-CB 4.07Å |
| 398 | S | 93.3 | Very high | 88.7 | Confident | 53 Ų | 53 | 50.5 Ų | 50.5 | 37% | 0.371 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 152.4 | -177.9 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | C385 | C385-S398 CarbonylContact O-C 3.51Å; C385-S398 WeakPolarHBondContact O-CA 3.16Å; C385-S398 WeakPolarHBondContact O-CB 3.28Å |
| 399 | A | 93.2 | Very high | 86.7 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | V297 L299 V384 C385 | V297-A399 HydrophobicContact CG1-CB 3.96Å; L299-A399 HydrophobicContact CB-CB 3.93Å; V384-A399 CarbonylContact C-O 3.56Å; V384-A399 WeakPolarHBondContact CA-O 3.23Å; C385-A399 PolarHBondContact N-O 2.82Å; C385-A399 PolarHBondContact O-N 2.82Å |
| 400 | D | 92.7 | Very high | 85 | Confident | 87 Ų | 87 | 53.5 Ų | 53.5 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 158.8 | -176.1 | 68.1 | -72.1 | 0 | 0 | 0 | 113.6 | H382 Y383 V384 | H382-D400 IonicContact ND1-OD2 3.91Å; H382-D400 PolarHBondContact ND1-OD2 2.92Å; Y383-D400 CarbonylContact O-C 3.56Å; Y383-D400 WeakPolarHBondContact O-CA 3.44Å; V384-D400 HydrophobicContact CB-CB 4.37Å; V384-D400 HydrophobicContact CG1-CB 4.45Å; V384-D400 HydrophobicContact CG2-CB 3.8Å |
| 401 | V | 93.1 | Very high | 83.4 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 140 | 177.2 | 64.3 | 0 | 0 | 0 | 0 | 109.3 | L299 P301 P303 V305 L316 H382 Y383 | L299-V401 HydrophobicContact CD2-CB 3.69Å; L299-V401 HydrophobicContact CD2-CG1 3.53Å; L299-V401 HydrophobicContact CG-CG1 4.42Å; P301-V401 WeakPolarHBondContact O-CG2 3.41Å; P303-V401 WeakPolarHBondContact O-CG2 3.37Å; V305-V401 HydrophobicContact CB-CG2 4.26Å; V305-V401 HydrophobicContact CG2-CG2 3.67Å; L316-V401 HydrophobicContact CD1-CG1 3.93Å; L316-V401 HydrophobicContact CD2-CG1 4.19Å; H382-V401 CarbonylContact C-O 3.52Å; H382-V401 WeakPolarHBondContact CA-O 3.31Å; Y383-V401 PolarHBondContact N-O 3.31Å; Y383-V401 PolarHBondContact O-N 3.3Å |
| 402 | T | 91.6 | Very high | 82.3 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 15% | 0.153 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 133.2 | 176.8 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | P303 V304 V305 H382 | P303-T402 PolarHBondContact O-N 3.4Å; V304-T402 CarbonylContact C-O 3.59Å; V304-T402 WeakPolarHBondContact CA-O 3.38Å; V305-T402 PolarHBondContact N-O 2.81Å; H382-T402 PolarHBondContact CE1-OG1 2.8Å; H382-T402 VanDerWaalsContact CE1-OG1 3.26Å; H382-T402 PolarHBondContact ND1-OG1 2.86Å |
| 403 | L | 88.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.6 | 172.4 | 174.9 | 69.3 | 0 | 0 | 0 | 110.6 | V305 P313 V374 Q378 G380 V381 Y383 V405 | V305-L403 HydrophobicContact CG1-CD1 4.36Å; V305-L403 WeakPolarHBondContact O-CA 3.49Å; P313-L403 HydrophobicContact CB-CD1 4.39Å; P313-L403 HydrophobicContact CG-CD1 3.91Å; V374-L403 HydrophobicContact CB-CD2 4.21Å; V374-L403 HydrophobicContact CG1-CD1 4.43Å; V374-L403 HydrophobicContact CG1-CD2 3.57Å; Q378-L403 HydrophobicContact CB-CD2 4Å; G380-L403 PolarHBondContact N-O 2.86Å; V381-L403 PolarHBondContact O-N 2.79Å; Y383-L403 HydrophobicContact CD2-CB 4.16Å; Y383-L403 HydrophobicContact CE2-CB 3.77Å; Y383-L403 HydrophobicContact CE2-CD2 3.8Å; Y383-L403 HydrophobicContact CE2-CG 4.3Å; L403-V405 HydrophobicContact CD2-CG2 4.47Å; L403-V405 HydrophobicContact CG-CG2 4.46Å |
| 404 | E | 87.9 | Confident | 80.4 | Confident | 39 Ų | 39 | 65.2 Ų | 65.2 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 114.4 | 175.8 | -67.9 | -64.6 | 152.1 | 0 | 0 | 109.9 | V304 V305 W306 A307 H379 | V304-E404 HydrophobicContact CG1-CB 4.01Å; V304-E404 HydrophobicContact CG1-CG 3.42Å; V304-E404 VanDerWaalsContact CG1-CG 3.42Å; V305-E404 PolarHBondContact O-N 2.81Å; W306-E404 WeakPolarHBondContact CA-O 3.44Å; W306-E404 HydrophobicContact CD2-CB 3.68Å; W306-E404 HydrophobicContact CE3-CB 3.33Å; W306-E404 HydrophobicContact CE3-CG 4.38Å; W306-E404 HydrophobicContact CG-CB 4.49Å; W306-E404 HydrophobicContact CH2-CB 3.68Å; W306-E404 HydrophobicContact CH2-CG 3.9Å; W306-E404 HydrophobicContact CZ2-CB 4.01Å; W306-E404 HydrophobicContact CZ2-CG 4.05Å; W306-E404 HydrophobicContact CZ3-CB 3.35Å; W306-E404 HydrophobicContact CZ3-CG 4.09Å; A307-E404 PolarHBondContact N-O 3.46Å; H379-E404 IonicContact CE1-OE2 2.75Å; H379-E404 PolarHBondContact CE1-OE2 3.47Å; H379-E404 IonicContact ND1-OE2 3.44Å; H379-E404 PolarHBondContact ND1-OE2 3.33Å; H379-E404 IonicContact NE2-OE2 3.9Å |
| 405 | V | 83.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.006 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 123.4 | 177 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | A307 P309 V374 H379 L403 | A307-V405 WeakPolarHBondContact O-CA 3.36Å; P309-V405 HydrophobicContact CB-CG1 4.47Å; P309-V405 HydrophobicContact CG-CG1 3.71Å; V374-V405 HydrophobicContact CG2-CG2 4.24Å; H379-V405 HydrophobicContact CB-CB 4.11Å; H379-V405 HydrophobicContact CB-CG2 4.09Å; H379-V405 PolarHBondContact ND1-N 2.81Å; L403-V405 HydrophobicContact CD2-CG2 4.47Å; L403-V405 HydrophobicContact CG-CG2 4.46Å |
| 406 | A | 77.4 | Confident | 79.2 | Confident | 44 Ų | 44 | 63 Ų | 63 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 143.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A307 P309 | A307-A406 PolarHBondContact O-N 3.07Å; P309-A406 WeakPolarHBondContact CD-O 3.08Å |
| 407 | G | 69 | Low | 78.8 | Confident | 85 Ų | 85 | 66.8 Ų | 66.8 | 88% | 0.876 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | 3.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 408 | F | 60.9 | Low | 78.3 | Confident | 130 Ų | 130 | 63.1 Ų | 63.1 | 57% | 0.57 | 40% | 0.403 | S | S | * | . | trans | -105.4 | -11 | 174.5 | -137.2 | -97.1 | 0 | 0 | 0 | 114.1 | A376 G410 | A376-F408 HydrophobicContact CB-CD2 4.22Å; A376-F408 HydrophobicContact CB-CE2 4.2Å; F408-G410 PolarHBondContact O-N 2.86Å | ||
| 409 | S | 54.3 | Low | 78.1 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 58% | 0.58 | 42% | 0.415 | S | S | * | . | trans | -72.6 | 92.4 | 167.7 | -48.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 410 | G | 59.9 | Low | 77.9 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 56% | 0.557 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 162.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F408 S412 | F408-G410 PolarHBondContact O-N 2.86Å; G410-S412 PolarHBondContact O-N 3.33Å |
| 411 | P | 60.3 | Low | 77.8 | Confident | 109 Ų | 109 | 72.6 Ų | 72.6 | 71% | 0.708 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 128.6 | 179.1 | 21.4 | -31.7 | 0 | 0 | 0 | 109.9 | D415 | P411-D415 HydrophobicContact CB-CB 4.07Š|
| 412 | S | 68.8 | Low | 77.7 | Confident | 50 Ų | 50 | 75.3 Ų | 75.3 | 35% | 0.35 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 156.4 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 109.5 | G410 E414 D415 G416 | G410-S412 PolarHBondContact O-N 3.33Å; S412-E414 PolarHBondContact O-N 3.05Å; S412-E414 VanDerWaalsContact O-N 3.17Å; S412-E414 PolarHBondContact OG-N 3.24Å; S412-D415 WeakPolarHBondContact CB-OD2 3.17Å; S412-D415 PolarHBondContact N-OD2 2.74Å; S412-D415 WeakPolarHBondContact O-CA 3.44Å; S412-D415 WeakPolarHBondContact O-CB 3.47Å; S412-D415 PolarHBondContact O-N 3.46Å; S412-G416 PolarHBondContact O-N 2.97Å |
| 413 | I | 70.9 | Confident | 77.8 | Confident | 140 Ų | 140 | 76.2 Ų | 76.2 | 72% | 0.718 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -54.6 | -33.6 | 168.9 | -68.6 | 170.7 | 0 | 0 | 0 | 109.9 | G416 I417 | I413-G416 PolarHBondContact O-N 3.19Å; I413-I417 HydrophobicContact CG2-CD1 3.78Å; I413-I417 HydrophobicContact CG2-CG1 4.35Å; I413-I417 WeakPolarHBondContact O-CB 2.93Å; I413-I417 WeakPolarHBondContact O-CD1 3.45Å; I413-I417 WeakPolarHBondContact O-CG1 3.36Å; I413-I417 PolarHBondContact O-N 2.87Å |
| 414 | E | 75.4 | Confident | 77.9 | Confident | 149 Ų | 149 | 82 Ų | 82 | 70% | 0.696 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.3 | -39.5 | 174.7 | -68.8 | 170.2 | 157.3 | 0 | 0 | 112.4 | S412 G416 I417 G418 | S412-E414 PolarHBondContact O-N 3.05Å; S412-E414 VanDerWaalsContact O-N 3.17Å; S412-E414 PolarHBondContact OG-N 3.24Å; E414-G416 VanDerWaalsContact C-N 3.31Å; E414-I417 PolarHBondContact O-N 2.81Å; E414-G418 PolarHBondContact O-N 3.11Å |
| 415 | D | 76.1 | Confident | 78.1 | Confident | 95 Ų | 95 | 85.7 Ų | 85.7 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 173.2 | -63.5 | -35.9 | 0 | 0 | 0 | 110.8 | P411 S412 G418 L419 | P411-D415 HydrophobicContact CB-CB 4.07Å; S412-D415 WeakPolarHBondContact CB-OD2 3.17Å; S412-D415 PolarHBondContact N-OD2 2.74Å; S412-D415 WeakPolarHBondContact O-CA 3.44Å; S412-D415 WeakPolarHBondContact O-CB 3.47Å; S412-D415 PolarHBondContact O-N 3.46Å; D415-G418 PolarHBondContact O-N 2.96Å; D415-L419 WeakPolarHBondContact O-CB 3.29Å; D415-L419 PolarHBondContact O-N 3.42Å |
| 416 | G | 78.2 | Confident | 78.4 | Confident | 37 Ų | 37 | 90.6 Ų | 90.6 | 38% | 0.381 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S412 I413 E414 L419 F420 | S412-G416 PolarHBondContact O-N 2.97Å; I413-G416 PolarHBondContact O-N 3.19Å; E414-G416 VanDerWaalsContact C-N 3.31Å; G416-L419 PolarHBondContact O-N 3.01Å; G416-F420 WeakPolarHBondContact O-CB 3.48Å; G416-F420 PolarHBondContact O-N 2.85Å |
| 417 | I | 83.7 | Confident | 79 | Confident | 90 Ų | 90 | 93.7 Ų | 93.7 | 46% | 0.462 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.2 | -42.4 | 174.4 | -68.6 | 163.2 | 0 | 0 | 0 | 110.2 | I413 E414 F420 L421 | I413-I417 HydrophobicContact CG2-CD1 3.78Å; I413-I417 HydrophobicContact CG2-CG1 4.35Å; I413-I417 WeakPolarHBondContact O-CB 2.93Å; I413-I417 WeakPolarHBondContact O-CD1 3.45Å; I413-I417 WeakPolarHBondContact O-CG1 3.36Å; I413-I417 PolarHBondContact O-N 2.87Å; E414-I417 PolarHBondContact O-N 2.81Å; I417-F420 PolarHBondContact O-N 2.86Å; I417-L421 HydrophobicContact CG2-CD1 3.79Å; I417-L421 HydrophobicContact CG2-CG 4.22Å; I417-L421 WeakPolarHBondContact O-CB 3.41Å; I417-L421 VanDerWaalsContact O-CG 3.27Å; I417-L421 WeakPolarHBondContact O-CG 3.28Å; I417-L421 PolarHBondContact O-N 2.88Å |
| 418 | G | 85.8 | Confident | 79.9 | Confident | 36 Ų | 36 | 91.3 Ų | 91.3 | 37% | 0.371 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | E414 D415 F420 S422 | E414-G418 PolarHBondContact O-N 3.11Å; D415-G418 PolarHBondContact O-N 2.96Å; G418-F420 VanDerWaalsContact C-N 3.35Å; G418-S422 WeakPolarHBondContact O-CB 3.41Å; G418-S422 PolarHBondContact O-N 3.03Å; G418-S422 PolarHBondContact O-OG 3.27Å |
| 419 | L | 89.1 | Confident | 81.3 | Confident | 119 Ų | 119 | 90.2 Ų | 90.2 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -40.7 | 173.5 | -103.8 | 154 | 0 | 0 | 0 | 111.9 | D415 G416 S422 A423 | D415-L419 WeakPolarHBondContact O-CB 3.29Å; D415-L419 PolarHBondContact O-N 3.42Å; G416-L419 PolarHBondContact O-N 3.01Å; L419-S422 WeakPolarHBondContact CA-OG 3.48Å; L419-S422 PolarHBondContact O-OG 2.74Å; L419-A423 VanDerWaalsContact O-CB 3.3Å; L419-A423 WeakPolarHBondContact O-CB 3.02Å; L419-A423 PolarHBondContact O-N 2.84Å |
| 420 | F | 88.3 | Confident | 82.8 | Confident | 131 Ų | 131 | 91.3 Ų | 91.3 | 58% | 0.575 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.6 | -48.1 | 177.5 | -168.2 | -97.2 | 0 | 0 | 0 | 111.7 | G416 I417 G418 S422 A423 F424 | G416-F420 WeakPolarHBondContact O-CB 3.48Å; G416-F420 PolarHBondContact O-N 2.85Å; I417-F420 PolarHBondContact O-N 2.86Å; G418-F420 VanDerWaalsContact C-N 3.35Å; F420-S422 PolarHBondContact O-N 3.39Å; F420-A423 PolarHBondContact O-N 3.29Å; F420-F424 AromaticContact CD1-CD2 3.82Å; F420-F424 HydrophobicContact CD1-CD2 3.82Å; F420-F424 AromaticContact CD1-CE2 3.91Å; F420-F424 HydrophobicContact CD1-CE2 3.91Å; F420-F424 HydrophobicContact CD2-CE2 4.21Å; F420-F424 AromaticContact CE1-CD2 3.61Å; F420-F424 HydrophobicContact CE1-CD2 3.61Å; F420-F424 AromaticContact CE1-CE2 3.26Å; F420-F424 HydrophobicContact CE1-CE2 3.26Å; F420-F424 AromaticContact CE1-CZ 3.99Å; F420-F424 HydrophobicContact CE1-CZ 3.99Å; F420-F424 HydrophobicContact CE2-CD2 4.33Å; F420-F424 AromaticContact CE2-CE2 3.62Å; F420-F424 HydrophobicContact CE2-CE2 3.62Å; F420-F424 HydrophobicContact CG-CD2 4.3Å; F420-F424 HydrophobicContact CG-CE2 4.36Å; F420-F424 AromaticContact CZ-CD2 3.91Å; F420-F424 HydrophobicContact CZ-CD2 3.91Å; F420-F424 AromaticContact CZ-CE2 3.11Å; F420-F424 HydrophobicContact CZ-CE2 3.11Å; F420-F424 AromaticContact CZ-CZ 3.78Å; F420-F424 HydrophobicContact CZ-CZ 3.78Å; F420-F424 WeakPolarHBondContact O-CD2 3.15Å; F420-F424 PolarHBondContact O-N 3.08Å |
| 421 | L | 90.9 | Very high | 84.1 | Confident | 106 Ų | 106 | 96.1 Ų | 96.1 | 56% | 0.555 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 178.8 | -71.1 | 174.7 | 0 | 0 | 0 | 112 | I417 F424 L425 | I417-L421 HydrophobicContact CG2-CD1 3.79Å; I417-L421 HydrophobicContact CG2-CG 4.22Å; I417-L421 WeakPolarHBondContact O-CB 3.41Å; I417-L421 VanDerWaalsContact O-CG 3.27Å; I417-L421 WeakPolarHBondContact O-CG 3.28Å; I417-L421 PolarHBondContact O-N 2.88Å; L421-F424 PolarHBondContact O-N 2.78Å; L421-L425 WeakPolarHBondContact O-CB 3.47Å; L421-L425 PolarHBondContact O-N 2.91Å |
| 422 | S | 90.8 | Very high | 85.2 | Confident | 58 Ų | 58 | 94.9 Ų | 94.9 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 176.6 | 55 | 0 | 0 | 0 | 0 | 112.2 | G418 L419 F420 L425 L426 | G418-S422 WeakPolarHBondContact O-CB 3.41Å; G418-S422 PolarHBondContact O-N 3.03Å; G418-S422 PolarHBondContact O-OG 3.27Å; L419-S422 WeakPolarHBondContact CA-OG 3.48Å; L419-S422 PolarHBondContact O-OG 2.74Å; F420-S422 PolarHBondContact O-N 3.39Å; S422-L425 PolarHBondContact O-N 2.86Å; S422-L426 WeakPolarHBondContact O-CB 3.42Å; S422-L426 PolarHBondContact O-N 3.47Å |
| 423 | A | 92.7 | Very high | 85.8 | Confident | 44 Ų | 44 | 97.7 Ų | 97.7 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L419 F420 L426 L427 | L419-A423 VanDerWaalsContact O-CB 3.3Å; L419-A423 WeakPolarHBondContact O-CB 3.02Å; L419-A423 PolarHBondContact O-N 2.84Å; F420-A423 PolarHBondContact O-N 3.29Å; A423-L426 PolarHBondContact O-N 2.9Å; A423-L427 WeakPolarHBondContact O-CB 3.32Å; A423-L427 VanDerWaalsContact O-CG 3.31Å; A423-L427 WeakPolarHBondContact O-CG 3.43Å; A423-L427 PolarHBondContact O-N 2.86Å |
| 424 | F | 91.5 | Very high | 86.1 | Confident | 123 Ų | 123 | 92.9 Ų | 92.9 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 176 | -94.6 | -96.8 | 0 | 0 | 0 | 112.6 | F420 L421 L427 G428 | F420-F424 AromaticContact CD1-CD2 3.82Å; F420-F424 HydrophobicContact CD1-CD2 3.82Å; F420-F424 AromaticContact CD1-CE2 3.91Å; F420-F424 HydrophobicContact CD1-CE2 3.91Å; F420-F424 HydrophobicContact CD2-CE2 4.21Å; F420-F424 AromaticContact CE1-CD2 3.61Å; F420-F424 HydrophobicContact CE1-CD2 3.61Å; F420-F424 AromaticContact CE1-CE2 3.26Å; F420-F424 HydrophobicContact CE1-CE2 3.26Å; F420-F424 AromaticContact CE1-CZ 3.99Å; F420-F424 HydrophobicContact CE1-CZ 3.99Å; F420-F424 HydrophobicContact CE2-CD2 4.33Å; F420-F424 AromaticContact CE2-CE2 3.62Å; F420-F424 HydrophobicContact CE2-CE2 3.62Å; F420-F424 HydrophobicContact CG-CD2 4.3Å; F420-F424 HydrophobicContact CG-CE2 4.36Å; F420-F424 AromaticContact CZ-CD2 3.91Å; F420-F424 HydrophobicContact CZ-CD2 3.91Å; F420-F424 AromaticContact CZ-CE2 3.11Å; F420-F424 HydrophobicContact CZ-CE2 3.11Å; F420-F424 AromaticContact CZ-CZ 3.78Å; F420-F424 HydrophobicContact CZ-CZ 3.78Å; F420-F424 WeakPolarHBondContact O-CD2 3.15Å; F420-F424 PolarHBondContact O-N 3.08Å; L421-F424 PolarHBondContact O-N 2.78Å; F424-L427 PolarHBondContact O-N 3.1Å; F424-G428 PolarHBondContact O-N 3.17Å |
| 425 | L | 91.4 | Very high | 86.2 | Confident | 115 Ų | 115 | 95.5 Ų | 95.5 | 60% | 0.602 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.7 | -42.3 | 179.1 | -142.4 | 156.7 | 0 | 0 | 0 | 111.1 | L421 S422 G428 L429 | L421-L425 WeakPolarHBondContact O-CB 3.47Å; L421-L425 PolarHBondContact O-N 2.91Å; S422-L425 PolarHBondContact O-N 2.86Å; L425-G428 PolarHBondContact O-N 3.24Å; L425-L429 HydrophobicContact CD2-CD1 3.7Å; L425-L429 HydrophobicContact CD2-CG 4.28Å; L425-L429 WeakPolarHBondContact O-CB 3.45Å; L425-L429 WeakPolarHBondContact O-CG 3.45Å; L425-L429 PolarHBondContact O-N 3.05Å |
| 426 | L | 91.4 | Very high | 86.2 | Confident | 105 Ų | 105 | 96.2 Ų | 96.2 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 172.9 | -100 | 155.1 | 0 | 0 | 0 | 112.4 | S422 A423 G428 L429 L430 | S422-L426 WeakPolarHBondContact O-CB 3.42Å; S422-L426 PolarHBondContact O-N 3.47Å; A423-L426 PolarHBondContact O-N 2.9Å; L426-G428 VanDerWaalsContact C-N 3.33Å; L426-G428 PolarHBondContact O-N 3.49Å; L426-L429 PolarHBondContact O-N 2.96Å; L426-L430 WeakPolarHBondContact O-CB 3.42Å; L426-L430 VanDerWaalsContact O-CG 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.38Å; L426-L430 PolarHBondContact O-N 3.1Å |
| 427 | L | 89.7 | Confident | 85.9 | Confident | 109 Ų | 109 | 98.4 Ų | 98.4 | 57% | 0.571 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -38.6 | 176.3 | -76.9 | 166.5 | 0 | 0 | 0 | 112 | A423 F424 K431 | A423-L427 WeakPolarHBondContact O-CB 3.32Å; A423-L427 VanDerWaalsContact O-CG 3.31Å; A423-L427 WeakPolarHBondContact O-CG 3.43Å; A423-L427 PolarHBondContact O-N 2.86Å; F424-L427 PolarHBondContact O-N 3.1Å; L427-K431 PolarHBondContact O-N 3.1Å |
| 428 | G | 88.4 | Confident | 85.1 | Confident | 35 Ų | 35 | 96.8 Ų | 96.8 | 36% | 0.361 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.1 | -49 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F424 L425 L426 K431 V432 | F424-G428 PolarHBondContact O-N 3.17Å; L425-G428 PolarHBondContact O-N 3.24Å; L426-G428 VanDerWaalsContact C-N 3.33Å; L426-G428 PolarHBondContact O-N 3.49Å; G428-K431 PolarHBondContact O-N 3.2Å; G428-V432 WeakPolarHBondContact O-CG2 3.37Å; G428-V432 PolarHBondContact O-N 3.24Å |
| 429 | L | 89.1 | Confident | 83.9 | Confident | 106 Ų | 106 | 97.5 Ų | 97.5 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 176.7 | -78.7 | 163.2 | 0 | 0 | 0 | 112.2 | L425 L426 K431 V432 L433 | L425-L429 HydrophobicContact CD2-CD1 3.7Å; L425-L429 HydrophobicContact CD2-CG 4.28Å; L425-L429 WeakPolarHBondContact O-CB 3.45Å; L425-L429 WeakPolarHBondContact O-CG 3.45Å; L425-L429 PolarHBondContact O-N 3.05Å; L426-L429 PolarHBondContact O-N 2.96Å; L429-K431 VanDerWaalsContact C-N 3.33Å; L429-K431 PolarHBondContact O-N 3.17Å; L429-V432 PolarHBondContact O-N 3.29Å; L429-L433 WeakPolarHBondContact O-CB 3.38Å; L429-L433 PolarHBondContact O-N 2.84Å |
| 430 | L | 87.4 | Confident | 82.6 | Confident | 107 Ų | 107 | 100.4 Ų | 100.4 | 56% | 0.56 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.7 | -38.6 | 177 | -75.8 | 165 | 0 | 0 | 0 | 112 | L426 G434 | L426-L430 WeakPolarHBondContact O-CB 3.42Å; L426-L430 VanDerWaalsContact O-CG 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.38Å; L426-L430 PolarHBondContact O-N 3.1Å; L430-G434 PolarHBondContact O-N 3.15Å |
| 431 | K | 85.3 | Confident | 81.2 | Confident | 155 Ų | 155 | 104.3 Ų | 104.3 | 67% | 0.674 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.7 | -44.3 | 174.3 | -100.6 | -165.4 | 172.1 | -178.7 | 0 | 112.6 | L427 G428 L429 L433 G434 W435 | L427-K431 PolarHBondContact O-N 3.1Å; G428-K431 PolarHBondContact O-N 3.2Å; L429-K431 VanDerWaalsContact C-N 3.33Å; L429-K431 PolarHBondContact O-N 3.17Å; K431-L433 VanDerWaalsContact C-N 3.34Å; K431-G434 PolarHBondContact O-N 3Å; K431-W435 PolarHBondContact O-N 2.99Å |
| 432 | V | 83.6 | Confident | 79.4 | Confident | 83 Ų | 83 | 104.4 Ų | 104.4 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.1 | -42.1 | 177.7 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | G428 L429 G434 W435 L436 | G428-V432 WeakPolarHBondContact O-CG2 3.37Å; G428-V432 PolarHBondContact O-N 3.24Å; L429-V432 PolarHBondContact O-N 3.29Å; V432-G434 VanDerWaalsContact C-N 3.34Å; V432-W435 PolarHBondContact O-N 3.11Å; V432-L436 HydrophobicContact CG1-CD1 3.94Å; V432-L436 HydrophobicContact CG1-CG 4.46Å; V432-L436 WeakPolarHBondContact O-CB 3.39Å; V432-L436 WeakPolarHBondContact O-CG 3.38Å; V432-L436 PolarHBondContact O-N 3.22Å |
| 433 | L | 81.4 | Confident | 77.5 | Confident | 109 Ų | 109 | 107.5 Ų | 107.5 | 57% | 0.571 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.3 | -40.4 | 175.4 | -152.9 | 73.9 | 0 | 0 | 0 | 111.2 | L429 K431 L436 V437 | L429-L433 WeakPolarHBondContact O-CB 3.38Å; L429-L433 PolarHBondContact O-N 2.84Å; K431-L433 VanDerWaalsContact C-N 3.34Å; L433-L436 PolarHBondContact O-N 2.73Å; L433-V437 WeakPolarHBondContact O-CB 3.32Å; L433-V437 VanDerWaalsContact O-CG2 3.23Å; L433-V437 WeakPolarHBondContact O-CG2 3.47Å; L433-V437 PolarHBondContact O-N 2.62Å |
| 434 | G | 78.3 | Confident | 75.2 | Confident | 39 Ų | 39 | 110.3 Ų | 110.3 | 40% | 0.402 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.6 | -40 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L430 K431 V432 A438 | L430-G434 PolarHBondContact O-N 3.15Å; K431-G434 PolarHBondContact O-N 3Å; V432-G434 VanDerWaalsContact C-N 3.34Å; G434-A438 WeakPolarHBondContact O-CB 3.5Å; G434-A438 PolarHBondContact O-N 2.75Å |
| 435 | W | 77.4 | Confident | 73.1 | Confident | 204 Ų | 204 | 114 Ų | 114 | 77% | 0.773 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.9 | -40.6 | 173.5 | -82.6 | 14.4 | 0 | 0 | 0 | 112.6 | K431 V432 A438 A439 | K431-W435 PolarHBondContact O-N 2.99Å; V432-W435 PolarHBondContact O-N 3.11Å; W435-A438 PolarHBondContact O-N 3.05Å; W435-A439 VanDerWaalsContact O-CB 3.23Å; W435-A439 WeakPolarHBondContact O-CB 3.36Å; W435-A439 PolarHBondContact O-N 3.26Å |
| 436 | L | 76.1 | Confident | 70.6 | Confident | 109 Ų | 109 | 115 Ų | 115 | 57% | 0.571 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.4 | -40.3 | 175.3 | -77.4 | 166.8 | 0 | 0 | 0 | 111.5 | V432 L433 A439 Y440 | V432-L436 HydrophobicContact CG1-CD1 3.94Å; V432-L436 HydrophobicContact CG1-CG 4.46Å; V432-L436 WeakPolarHBondContact O-CB 3.39Å; V432-L436 WeakPolarHBondContact O-CG 3.38Å; V432-L436 PolarHBondContact O-N 3.22Å; L433-L436 PolarHBondContact O-N 2.73Å; L436-A439 PolarHBondContact O-N 2.88Å; L436-Y440 VanDerWaalsContact O-CB 3.32Å; L436-Y440 WeakPolarHBondContact O-CB 3.35Å; L436-Y440 PolarHBondContact O-N 3.3Å |
| 437 | V | 71.5 | Confident | 68 | Low | 83 Ų | 83 | 115.3 Ų | 115.3 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.5 | -42.5 | 175 | 172.9 | 0 | 0 | 0 | 0 | 111 | L433 A439 Y440 W441 | L433-V437 WeakPolarHBondContact O-CB 3.32Å; L433-V437 VanDerWaalsContact O-CG2 3.23Å; L433-V437 WeakPolarHBondContact O-CG2 3.47Å; L433-V437 PolarHBondContact O-N 2.62Å; V437-A439 PolarHBondContact O-N 3.39Å; V437-Y440 PolarHBondContact O-N 3.42Å; V437-W441 VanDerWaalsContact O-CD1 3.28Å; V437-W441 PolarHBondContact O-N 3.06Å; V437-W441 VanDerWaalsContact O-N 3.1Å |
| 438 | A | 66.6 | Low | 65.7 | Low | 56 Ų | 56 | 120 Ų | 120 | 46% | 0.463 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.9 | -37.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G434 W435 W441 T442 | G434-A438 WeakPolarHBondContact O-CB 3.5Å; G434-A438 PolarHBondContact O-N 2.75Å; W435-A438 PolarHBondContact O-N 3.05Å; A438-W441 PolarHBondContact O-N 2.88Å; A438-T442 WeakPolarHBondContact O-CG2 3.34Å; A438-T442 PolarHBondContact O-N 2.78Å; A438-T442 PolarHBondContact O-OG1 2.94Å |
| 439 | A | 61.7 | Low | 63.1 | Low | 52 Ų | 52 | 127.5 Ų | 127.5 | 43% | 0.43 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67.9 | -37.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W435 L436 V437 W441 T442 | W435-A439 VanDerWaalsContact O-CB 3.23Å; W435-A439 WeakPolarHBondContact O-CB 3.36Å; W435-A439 PolarHBondContact O-N 3.26Å; L436-A439 PolarHBondContact O-N 2.88Å; V437-A439 PolarHBondContact O-N 3.39Å; A439-W441 VanDerWaalsContact C-N 3.31Å; A439-W441 PolarHBondContact O-N 3.49Å; A439-T442 WeakPolarHBondContact CA-OG1 3.49Å; A439-T442 PolarHBondContact O-N 3.44Å; A439-T442 PolarHBondContact O-OG1 3.46Å; A439-T442 VanDerWaalsContact O-OG1 3.11Å |
| 440 | Y | 61.9 | Low | 60.5 | Low | 179 Ų | 179 | 132 Ų | 132 | 70% | 0.702 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -67.1 | -31.5 | 176.7 | -162 | -95 | 0 | 0 | 0 | 112.6 | L436 V437 T442 | L436-Y440 VanDerWaalsContact O-CB 3.32Å; L436-Y440 WeakPolarHBondContact O-CB 3.35Å; L436-Y440 PolarHBondContact O-N 3.3Å; V437-Y440 PolarHBondContact O-N 3.42Å; Y440-T442 VanDerWaalsContact C-N 3.33Å |
| 441 | W | 57.8 | Low | 57.8 | Low | 214 Ų | 214 | 131 Ų | 131 | 81% | 0.811 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -4.3 | 174.9 | -82.9 | 76.9 | 0 | 0 | 0 | 114.5 | V437 A438 A439 | V437-W441 VanDerWaalsContact O-CD1 3.28Å; V437-W441 PolarHBondContact O-N 3.06Å; V437-W441 VanDerWaalsContact O-N 3.1Å; A438-W441 PolarHBondContact O-N 2.88Å; A439-W441 VanDerWaalsContact C-N 3.31Å; A439-W441 PolarHBondContact O-N 3.49Å |
| 442 | T | 54 | Low | 55.4 | Low | 107 Ų | 107 | 130.2 Ų | 130.2 | 66% | 0.656 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 19.4 | -179.5 | 46.6 | 0 | 0 | 0 | 0 | 113.8 | A438 A439 Y440 P444 | A438-T442 WeakPolarHBondContact O-CG2 3.34Å; A438-T442 PolarHBondContact O-N 2.78Å; A438-T442 PolarHBondContact O-OG1 2.94Å; A439-T442 WeakPolarHBondContact CA-OG1 3.49Å; A439-T442 PolarHBondContact O-N 3.44Å; A439-T442 PolarHBondContact O-OG1 3.46Å; A439-T442 VanDerWaalsContact O-OG1 3.11Å; Y440-T442 VanDerWaalsContact C-N 3.33Å; T442-P444 WeakPolarHBondContact O-CD 3.35Å |
| 443 | I | 51.1 | Low | 53.1 | Low | 123 Ų | 123 | 130.7 Ų | 130.7 | 63% | 0.631 | 70% | 0.701 | S | S | * | * | trans | -85.8 | 115.3 | 171.7 | -56.4 | 175 | 0 | 0 | 0 | 109 | ||||
| 444 | P | 44.3 | Very low | 50.9 | Low | 104 Ų | 104 | 130.2 Ų | 130.2 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | trans | -75.3 | 134.6 | 170.3 | -2.3 | 20.4 | 0 | 0 | 0 | 109.6 | T442 V446 | T442-P444 WeakPolarHBondContact O-CD 3.35Å; P444-V446 PolarHBondContact O-N 3.25Å | ||
| 445 | E | 47.4 | Very low | 48.7 | Very low | 201 Ų | 201 | 132.9 Ų | 132.9 | 94% | 0.939 | 73% | 0.726 | S | S | * | * | trans | -56.2 | 122.4 | 167.2 | -80.6 | -168.8 | 140.4 | 0 | 0 | 110.2 | ||||
| 446 | V | 38.3 | Very low | 46.7 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -116.9 | 127.3 | 163.4 | 172.8 | 0 | 0 | 0 | 0 | 108.9 | P444 | P444-V446 PolarHBondContact O-N 3.25Š| ||
| 447 | S | 37.5 | Very low | 44.6 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | -62.3 | 145.7 | -168.2 | 56.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 448 | K | 41.7 | Very low | 43.1 | Very low | 207 Ų | 207 | 134.8 Ų | 134.8 | 90% | 0.9 | 75% | 0.751 | S | S | * | * | trans | -63.7 | 139.5 | 166.7 | -71.2 | 173 | 174 | 171.6 | 0 | 112.5 | ||||
| 449 | E | 32.7 | Very low | 42.2 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -141 | 143.1 | 146.7 | -157.9 | 166.7 | 172.7 | 0 | 0 | 111.9 | ||||
| 450 | K | 34.3 | Very low | 41 | Very low | 200 Ų | 200 | 145.6 Ų | 145.6 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | trans | -64.8 | 164.8 | -173.7 | -66.6 | 165.5 | 171.8 | 173.1 | 0 | 111.3 | ||||
| 451 | A | 31.8 | Very low | 39.9 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | cis | -173.3 | 140.6 | 47.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 452 | T | 34.9 | Very low | 38.8 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | 28.3 | 130.1 | 139.2 | 39.3 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 453 | A | 35 | Very low | 38.1 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | 108.1 | 134.8 | 117.9 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 454 | A | 34.4 | Very low | 37.6 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 68.1 | 148.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 455 | S | 32.7 | Very low | 37.7 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | cis | -171.2 | 154.3 | -15.2 | 59.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 456 | L | 34.7 | Very low | 37.6 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | 47.3 | 119.9 | 145.5 | -81.4 | 148.1 | 0 | 0 | 0 | 119.3 | ||||
| 457 | T | 31.7 | Very low | 37.5 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | 156 | 125.7 | 103.6 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 458 | I | 41.2 | Very low | 37.5 | Very low | 155 Ų | 155 | 149.2 Ų | 149.2 | 80% | 0.795 | 81% | 0.805 | S | S | * | * | trans | -89.7 | 136.9 | 162.6 | -67.2 | 166.2 | 0 | 0 | 0 | 107.6 | ||||
| 459 | P | 47 | Very low | 37.3 | Very low | 113 Ų | 113 | 146 Ų | 146 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | -141.2 | 135 | 108.1 | 19 | 3.7 | 0 | 0 | 0 | 112.5 | |||||
| 460 | R | 37.8 | Very low | 37.6 | Very low | 223 Ų | 223 | 143.2 Ų | 143.2 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | 74.4 | 105.2 | 74.7 | -158.5 | -176 | -159.9 | 169.7 | 5.8 | 114 | |||||
| 461 | N | 37 | Very low | 37.8 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -158.9 | 113.7 | 137.9 | -115.4 | -21.3 | 0 | 0 | 0 | 106.7 | ||||
| 462 | S | 36.4 | Very low | 38.2 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 53% | 0.531 | 79% | 0.794 | S | S | . | * | 49 | 114.1 | 70 | 128 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 463 | K | 39.2 | Very low | 38.4 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | -171.5 | 140.8 | 53.1 | -112.1 | 162.4 | -177.8 | 177.1 | 0 | 111.6 | |||||
| 464 | K | 39.9 | Very low | 38.7 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | 61.6 | 113.5 | 127.3 | -74.9 | -176.3 | 174.1 | -170.9 | 0 | 118.2 | |||||
| 465 | S | 45.2 | Very low | 39 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | 69.8 | 105.9 | 75.6 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 466 | Q | 45.3 | Very low | 39.6 | Very low | 262 Ų | 262 | 156.6 Ų | 156.6 | 100% | 1.224 | 80% | 0.801 | S | S | * | * | -138.3 | 0 | 109.1 | -138.8 | 171 | 3.9 | 0 | 0 | 109.2 |
Retrieved 466 of 466 residues in 557.3 ms
(Link to these results)