| 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 | 43 | Very low | 74 | Confident | 227 Ų | 227 | 130.3 Ų | 130.3 | 100% | 1.118 | 68% | 0.683 | S | S | * | * | 0 | 118 | 0 | -69.2 | -159.9 | -100.6 | 0 | 0 | 107.8 | V3 | M1-V3 PolarHBondContact O-N 3.46Å; M1-V3 VanDerWaalsContact O-N 3.17Å | |||
| 2 | S | 42.1 | Very low | 75.9 | Confident | 116 Ų | 116 | 129.9 Ų | 129.9 | 81% | 0.811 | 68% | 0.675 | S | S | * | * | trans | -65.5 | 108.9 | 175.2 | 168.7 | 0 | 0 | 0 | 0 | 108.2 | T4 | S2-T4 PolarHBondContact O-N 3.24Š| ||
| 3 | V | 55.9 | Low | 77.6 | Confident | 83 Ų | 83 | 133.2 Ų | 133.2 | 50% | 0.503 | 69% | 0.692 | S | S | . | * | trans | -70 | 113 | 170.8 | -177.6 | 0 | 0 | 0 | 0 | 106.1 | M1 K5 | M1-V3 PolarHBondContact O-N 3.46Å; M1-V3 VanDerWaalsContact O-N 3.17Å; V3-K5 PolarHBondContact O-N 3.11Å; V3-K5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | T | 57.6 | Low | 79 | Confident | 103 Ų | 103 | 128.8 Ų | 128.8 | 63% | 0.632 | 70% | 0.696 | S | S | * | * | trans | -60.2 | 112.7 | 170.7 | 33.8 | 0 | 0 | 0 | 0 | 108.1 | S2 M6 | S2-T4 PolarHBondContact O-N 3.24Å; T4-M6 PolarHBondContact O-N 2.97Å; T4-M6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | K | 71.3 | Confident | 80.2 | Confident | 184 Ų | 184 | 124.4 Ų | 124.4 | 80% | 0.8 | 67% | 0.672 | S | S | * | * | trans | -70.7 | 105.2 | -179.2 | -163.5 | 174.3 | -176.1 | -180 | 0 | 108.4 | V3 V7 | V3-K5 PolarHBondContact O-N 3.11Å; V3-K5 VanDerWaalsContact O-N 3.08Å; K5-V7 PolarHBondContact O-N 3.08Å | ||
| 6 | M | 77.8 | Confident | 81.2 | Confident | 88 Ų | 88 | 123.8 Ų | 123.8 | 43% | 0.433 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 131.8 | 173.2 | -89.7 | -178.6 | 178.8 | 0 | 0 | 109.7 | T4 | T4-M6 PolarHBondContact O-N 2.97Å; T4-M6 VanDerWaalsContact O-N 3.08Å |
| 7 | V | 88.3 | Confident | 82.1 | Confident | 140 Ų | 140 | 125.2 Ų | 125.2 | 85% | 0.848 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 118.5 | 169 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | K5 | K5-V7 PolarHBondContact O-N 3.08Š|
| 8 | Y | 91.5 | Very high | 82.8 | Confident | 110 Ų | 110 | 122.8 Ų | 122.8 | 43% | 0.431 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -82 | 138.2 | 176.9 | -71.4 | -82 | 0 | 0 | 0 | 110.5 | L18 I20 W25 | Y8-L18 HydrophobicContact CD1-CD2 3.79Å; Y8-L18 HydrophobicContact CE1-CD2 4.2Å; Y8-I20 HydrophobicContact CE1-CD1 3.92Å; Y8-W25 WeakPolarHBondContact OH-CZ2 3.17Å |
| 9 | P | 94.7 | Very high | 83.4 | Confident | 96 Ų | 96 | 125.9 Ų | 125.9 | 62% | 0.623 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -67 | 142.3 | 174.7 | 29.5 | -34.3 | 0 | 0 | 0 | 110.2 | Y11 L18 | P9-Y11 PolarHBondContact O-N 3.27Å; P9-L18 HydrophobicContact CG-CD1 3.71Å |
| 10 | L | 95.4 | Very high | 83.9 | Confident | 142 Ų | 142 | 122.9 Ų | 122.9 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 130.6 | 176.7 | -178.2 | 65.2 | 0 | 0 | 0 | 110 | N15 | L10-N15 PolarHBondContact O-ND2 2.9Š|
| 11 | Y | 96.8 | Very high | 84.4 | Confident | 144 Ų | 144 | 125.3 Ų | 125.3 | 57% | 0.565 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 132 | 174 | -178.1 | -97.3 | 0 | 0 | 0 | 110.9 | P9 N15 | P9-Y11 PolarHBondContact O-N 3.27Å; Y11-N15 HydrophobicContact CD2-CB 3.84Å; Y11-N15 HydrophobicContact CE2-CB 3.78Å |
| 12 | Q | 97.1 | Very high | 86.7 | Confident | 126 Ų | 126 | 124.9 Ų | 124.9 | 59% | 0.589 | 64% | 0.64 | S | S | * | * | trans | -122 | 155.2 | 168.6 | -66.2 | -179.1 | -20.2 | 0 | 0 | 109.1 | G14 N15 | Q12-G14 PolarHBondContact O-N 3.35Å; Q12-N15 PolarHBondContact N-ND2 3.48Å; Q12-N15 WeakPolarHBondContact O-CB 3.19Å; Q12-N15 VanDerWaalsContact O-CG 3.32Å; Q12-N15 PolarHBondContact O-N 2.88Å | ||
| 13 | L | 97.4 | Very high | 89 | Confident | 172 Ų | 172 | 121.5 Ų | 121.5 | 90% | 0.901 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 127.6 | -179.6 | -176.2 | 65.9 | 0 | 0 | 0 | 110.4 | ||
| 14 | G | 96.9 | Very high | 90.7 | Very high | 72 Ų | 72 | 119.2 Ų | 119.2 | 74% | 0.742 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.3 | -8.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q12 | Q12-G14 PolarHBondContact O-N 3.35Š|
| 15 | N | 96.6 | Very high | 92.3 | Very high | 63 Ų | 63 | 115.5 Ų | 115.5 | 34% | 0.337 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 152.3 | 173.5 | -75.9 | 3.5 | 0 | 0 | 0 | 111.6 | L10 Y11 Q12 | L10-N15 PolarHBondContact O-ND2 2.9Å; Y11-N15 HydrophobicContact CD2-CB 3.84Å; Y11-N15 HydrophobicContact CE2-CB 3.78Å; Q12-N15 PolarHBondContact N-ND2 3.48Å; Q12-N15 WeakPolarHBondContact O-CB 3.19Å; Q12-N15 VanDerWaalsContact O-CG 3.32Å; Q12-N15 PolarHBondContact O-N 2.88Å |
| 16 | P | 97.3 | Very high | 93.2 | Very high | 114 Ų | 114 | 114.2 Ų | 114.2 | 74% | 0.74 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 156.7 | 174.4 | 27.8 | -35.7 | 0 | 0 | 0 | 111.6 | L18 | P16-L18 PolarHBondContact O-N 3.18Š|
| 17 | Q | 96.1 | Very high | 94 | Very high | 148 Ų | 148 | 111.7 Ų | 111.7 | 69% | 0.692 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 131.2 | 175 | 178.4 | 58.1 | 47.7 | 0 | 0 | 111.1 | R19 | Q17-R19 PolarHBondContact O-N 2.77Š|
| 18 | L | 94.9 | Very high | 94.4 | Very high | 82 Ų | 82 | 108.9 Ų | 108.9 | 43% | 0.429 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 127.9 | 172.4 | 178.4 | 67.6 | 0 | 0 | 0 | 110.3 | Y8 P9 P16 | Y8-L18 HydrophobicContact CD1-CD2 3.79Å; Y8-L18 HydrophobicContact CE1-CD2 4.2Å; P9-L18 HydrophobicContact CG-CD1 3.71Å; P16-L18 PolarHBondContact O-N 3.18Å |
| 19 | R | 95 | Very high | 94.6 | Very high | 182 Ų | 182 | 106.9 Ų | 106.9 | 69% | 0.687 | 54% | 0.539 | S | S | * | . | trans | -126.6 | 132.2 | 177.6 | -62.8 | -179.4 | -174.1 | -159.8 | 1 | 110.2 | Q17 F21 | Q17-R19 PolarHBondContact O-N 2.77Å; R19-F21 HydrophobicContact CB-CE2 4.08Å; R19-F21 HydrophobicContact CB-CZ 4.17Å | ||
| 20 | I | 93.4 | Very high | 94.7 | Very high | 65 Ų | 65 | 103.9 Ų | 103.9 | 33% | 0.333 | 52% | 0.519 | S | S | . | . | trans | -112.1 | 107.5 | 176.4 | -54.7 | 172.7 | 0 | 0 | 0 | 107.1 | Y8 P23 W25 | Y8-I20 HydrophobicContact CE1-CD1 3.92Å; I20-P23 HydrophobicContact CG2-CB 4.17Å; I20-W25 HydrophobicContact CD1-CH2 3.83Å; I20-W25 HydrophobicContact CD1-CZ2 4.44Å | ||
| 21 | F | 93.4 | Very high | 94.7 | Very high | 174 Ų | 174 | 103.4 Ų | 103.4 | 76% | 0.763 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -82.7 | -31.5 | -178.5 | -65.8 | -79.9 | 0 | 0 | 0 | 113 | R19 | R19-F21 HydrophobicContact CB-CE2 4.08Å; R19-F21 HydrophobicContact CB-CZ 4.17Å |
| 22 | R | 91.5 | Very high | 94.7 | Very high | 219 Ų | 219 | 98.9 Ų | 98.9 | 83% | 0.826 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -131.9 | 78.7 | -176.1 | -68.8 | -179.1 | 60.5 | -164.7 | -2.4 | 110 | ||
| 23 | P | 90.9 | Very high | 94.5 | Very high | 45 Ų | 45 | 96.6 Ų | 96.6 | 29% | 0.292 | 51% | 0.506 | S | S | . | . | trans | -63.3 | 137.8 | 177.7 | 26.7 | -33.1 | 0 | 0 | 0 | 110.3 | I20 W25 Y57 I61 | I20-P23 HydrophobicContact CG2-CB 4.17Å; P23-W25 VanDerWaalsContact C-N 3.31Å; P23-W25 HydrophobicContact CB-CD2 4.32Å; P23-W25 HydrophobicContact CB-CE3 3.8Å; P23-W25 HydrophobicContact CB-CZ3 4.26Å; P23-Y57 HydrophobicContact CB-CE2 4.39Å; P23-Y57 HydrophobicContact CG-CD2 4.39Å; P23-Y57 HydrophobicContact CG-CE2 4.01Å; P23-I61 HydrophobicContact CG-CD1 4.48Å | ||
| 24 | S | 90.3 | Very high | 94.3 | Very high | 35 Ų | 35 | 96.9 Ų | 96.9 | 25% | 0.245 | 50% | 0.5 | C | S | . | . | trans | -93.3 | 14.9 | 176.5 | 57 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 25 | W | 90.8 | Very high | 94.1 | Very high | 25 Ų | 25 | 102.8 Ų | 102.8 | 10% | 0.095 | 51% | 0.508 | C | S | . | . | trans | -87.1 | 145.4 | -176.6 | -56.3 | -42.1 | 0 | 0 | 0 | 112 | Y8 I20 P23 L27 P46 M49 D53 Y57 | Y8-W25 WeakPolarHBondContact OH-CZ2 3.17Å; I20-W25 HydrophobicContact CD1-CH2 3.83Å; I20-W25 HydrophobicContact CD1-CZ2 4.44Å; P23-W25 VanDerWaalsContact C-N 3.31Å; P23-W25 HydrophobicContact CB-CD2 4.32Å; P23-W25 HydrophobicContact CB-CE3 3.8Å; P23-W25 HydrophobicContact CB-CZ3 4.26Å; W25-L27 HydrophobicContact CB-CD1 4.47Å; W25-P46 HydrophobicContact CB-CG 4.11Å; W25-P46 HydrophobicContact CG-CG 4.24Å; W25-M49 HydrophobicContact CB-SD 4.42Å; W25-M49 HydrophobicContact CD2-CE 4.38Å; W25-M49 HydrophobicContact CD2-CG 4.37Å; W25-M49 HydrophobicContact CE3-CE 3.82Å; W25-M49 HydrophobicContact CZ3-CE 4.35Å; W25-D53 HydrophobicContact CH2-CB 3.92Å; W25-D53 HydrophobicContact CZ3-CB 3.87Å; W25-Y57 HydrophobicContact CE3-CD2 4.31Å | ||
| 26 | F | 92.2 | Very high | 94 | Very high | 157 Ų | 157 | 103.5 Ų | 103.5 | 69% | 0.689 | 51% | 0.51 | S | S | * | . | trans | -122.6 | 122.5 | 174.2 | -59.3 | -78.1 | 0 | 0 | 0 | 109.4 | P46 | F26-P46 WeakPolarHBondContact O-CD 3.47Š| ||
| 27 | L | 94.2 | Very high | 93.9 | Very high | 34 Ų | 34 | 101.3 Ų | 101.3 | 18% | 0.178 | 50% | 0.495 | C | S | . | . | trans | -102.9 | 134 | 174.1 | -70.4 | 71.9 | 0 | 0 | 0 | 108.5 | W25 I45 M49 V54 Y57 L58 | W25-L27 HydrophobicContact CB-CD1 4.47Å; L27-I45 HydrophobicContact CD2-CG2 4.15Å; L27-I45 HydrophobicContact CG-CG2 3.93Å; L27-M49 HydrophobicContact CD1-CE 3.77Å; L27-M49 HydrophobicContact CD1-SD 3.76Å; L27-M49 HydrophobicContact CD2-CE 4.29Å; L27-M49 HydrophobicContact CD2-SD 4.4Å; L27-M49 HydrophobicContact CG-CE 4.43Å; L27-M49 HydrophobicContact CG-SD 4.15Å; L27-V54 HydrophobicContact CD2-CG1 4.38Å; L27-Y57 HydrophobicContact CD1-CD1 3.64Å; L27-Y57 HydrophobicContact CD1-CD2 4.42Å; L27-Y57 HydrophobicContact CD1-CE1 3.44Å; L27-Y57 VanDerWaalsContact CD1-CE1 3.44Å; L27-Y57 HydrophobicContact CD1-CE2 4.27Å; L27-Y57 HydrophobicContact CD1-CG 4.15Å; L27-Y57 HydrophobicContact CD2-CD1 3.9Å; L27-Y57 HydrophobicContact CD2-CE1 4.26Å; L27-Y57 HydrophobicContact CG-CD1 4.36Å; L27-Y57 HydrophobicContact CG-CE1 4.3Å; L27-L58 HydrophobicContact CD2-CD2 4.48Å | ||
| 28 | T | 96 | Very high | 93.8 | Very high | 81 Ų | 81 | 98.1 Ų | 98.1 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 120.9 | 175.7 | -47.4 | 0 | 0 | 0 | 0 | 108.9 | V30 F43 R44 | T28-V30 HydrophobicContact CG2-CG2 4.23Å; T28-F43 CarbonylContact O-C 3.51Å; T28-F43 VanDerWaalsContact O-CA 3.32Å; T28-F43 WeakPolarHBondContact O-CA 3.42Å; T28-R44 PolarHBondContact N-O 2.88Å; T28-R44 PolarHBondContact O-N 3.14Å |
| 29 | L | 96.5 | Very high | 93.9 | Very high | 68 Ų | 68 | 96.5 Ų | 96.5 | 36% | 0.356 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 129.5 | 172.5 | -176.4 | 137.7 | 0 | 0 | 0 | 108.9 | V41 F43 F106 F108 | L29-V41 HydrophobicContact CD1-CG1 3.85Å; L29-V41 HydrophobicContact CG-CG1 4.46Å; L29-F43 HydrophobicContact CB-CD1 4Å; L29-F43 HydrophobicContact CB-CE1 3.8Å; L29-F43 HydrophobicContact CD1-CE1 3.74Å; L29-F43 HydrophobicContact CD1-CZ 3.89Å; L29-F43 HydrophobicContact CG-CE1 4.13Å; L29-F106 HydrophobicContact CD1-CE1 4.21Å; L29-F106 HydrophobicContact CD1-CZ 3.82Å; L29-F106 HydrophobicContact CD2-CE1 4.45Å; L29-F106 HydrophobicContact CD2-CZ 4.1Å; L29-F108 HydrophobicContact CD2-CD2 3.47Å; L29-F108 VanDerWaalsContact CD2-CD2 3.47Å; L29-F108 HydrophobicContact CD2-CE2 3.25Å; L29-F108 HydrophobicContact CD2-CZ 4.22Å; L29-F108 HydrophobicContact CG-CE2 4.44Å |
| 30 | V | 96.4 | Very high | 93.9 | Very high | 33 Ų | 33 | 88.6 Ų | 88.6 | 20% | 0.2 | 45% | 0.451 | C | S | . | . | trans | -130.5 | 138.2 | -172.5 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | T28 Q42 R44 | T28-V30 HydrophobicContact CG2-CG2 4.23Å; V30-Q42 PolarHBondContact N-O 2.96Å; V30-R44 HydrophobicContact CG2-CB 4.34Å; V30-R44 HydrophobicContact CG2-CG 3.76Å | ||
| 31 | R | 95.8 | Very high | 94.1 | Very high | 133 Ų | 133 | 85.9 Ų | 85.9 | 50% | 0.502 | 44% | 0.438 | S | S | . | . | trans | -59.4 | 129.8 | 173.9 | -174.9 | -176.6 | -68.6 | -96.2 | 1.9 | 109.8 | G33 F108 | R31-G33 PolarHBondContact O-N 2.85Å; R31-F108 HydrophobicContact CB-CD1 4.13Å; R31-F108 HydrophobicContact CB-CD2 3.94Å; R31-F108 HydrophobicContact CB-CE1 4.28Å; R31-F108 HydrophobicContact CB-CE2 4.03Å; R31-F108 HydrophobicContact CB-CG 3.99Å; R31-F108 HydrophobicContact CB-CZ 4.24Å; R31-F108 HydrophobicContact CG-CB 4.47Å; R31-F108 HydrophobicContact CG-CD1 4.37Å; R31-F108 HydrophobicContact CG-CG 4.26Å | ||
| 32 | P | 95.7 | Very high | 94.3 | Very high | 48 Ų | 48 | 78.9 Ų | 78.9 | 31% | 0.312 | 41% | 0.407 | S | S | . | . | trans | -64.8 | 135.8 | 177.5 | 28.4 | -34.8 | 0 | 0 | 0 | 110.2 | Q36 | P32-Q36 HydrophobicContact CB-CG 3.83Š| ||
| 33 | G | 92.8 | Very high | 94.6 | Very high | 79 Ų | 79 | 69.6 Ų | 69.6 | 81% | 0.814 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -83.7 | -12.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R31 | R31-G33 PolarHBondContact O-N 2.85Š|
| 34 | K | 94.1 | Very high | 94.9 | Very high | 177 Ų | 177 | 72.4 Ų | 72.4 | 77% | 0.77 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -130.2 | 159.6 | 172 | -68.2 | -171.1 | 175.4 | -170.5 | 0 | 107.7 | Q36 | K34-Q36 PolarHBondContact O-N 2.81Š|
| 35 | E | 93.1 | Very high | 95.3 | Very high | 196 Ų | 196 | 71.1 Ų | 71.1 | 92% | 0.916 | 37% | 0.368 | S | S | * | . | trans | -54.3 | 131.2 | 172.1 | -64.7 | 177.4 | -177.1 | 0 | 0 | 109.9 | ||||
| 36 | Q | 94.2 | Very high | 95.4 | Very high | 79 Ų | 79 | 71.4 Ų | 71.4 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | trans | -126 | 154.4 | 176 | -68.1 | -61.4 | -72.3 | 0 | 0 | 107.9 | P32 K34 | P32-Q36 HydrophobicContact CB-CG 3.83Å; K34-Q36 PolarHBondContact O-N 2.81Å | ||
| 37 | P | 95 | Very high | 95.5 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | trans | -53.8 | 146.9 | 169.6 | -26.9 | 37.8 | 0 | 0 | 0 | 111.4 | D39 T40 | P37-D39 WeakPolarHBondContact CB-OD1 3.46Å; P37-D39 PolarHBondContact O-N 2.86Å; P37-D39 VanDerWaalsContact O-N 3.14Å; P37-T40 WeakPolarHBondContact O-CB 3.47Å; P37-T40 PolarHBondContact O-N 3.3Å | ||
| 38 | P | 94.6 | Very high | 95.4 | Very high | 81 Ų | 81 | 70.7 Ų | 70.7 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -15.8 | -173.3 | 28.5 | -36.4 | 0 | 0 | 0 | 113.6 | T40 T105 F106 | P38-T40 VanDerWaalsContact C-N 3.31Å; P38-T105 HydrophobicContact CB-CG2 4.04Å; P38-T105 HydrophobicContact CG-CG2 4.34Å; P38-T105 CarbonylContact O-C 3.59Å; P38-T105 WeakPolarHBondContact O-CA 3.22Å; P38-F106 PolarHBondContact O-N 2.86Å |
| 39 | D | 95.5 | Very high | 95.3 | Very high | 49 Ų | 49 | 66.9 Ų | 66.9 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -7.9 | 174.1 | 68 | -11 | 0 | 0 | 0 | 112.9 | P37 Q99 L100 | P37-D39 WeakPolarHBondContact CB-OD1 3.46Å; P37-D39 PolarHBondContact O-N 2.86Å; P37-D39 VanDerWaalsContact O-N 3.14Å; D39-Q99 WeakPolarHBondContact O-CA 3.39Å; D39-L100 PolarHBondContact O-N 3.15Å |
| 40 | T | 96.3 | Very high | 95.3 | Very high | 16 Ų | 16 | 66.6 Ų | 66.6 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.2 | -168.2 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | P37 P38 Y97 V98 | P37-T40 WeakPolarHBondContact O-CB 3.47Å; P37-T40 PolarHBondContact O-N 3.3Å; P38-T40 VanDerWaalsContact C-N 3.31Å; T40-Y97 HydrophobicContact CG2-CD1 4.43Å; T40-V98 WeakPolarHBondContact CA-O 3.17Å |
| 41 | V | 97.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 69.6 Ų | 69.6 | 5% | 0.048 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 138.5 | 178.8 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | L29 F43 V98 L100 F106 | L29-V41 HydrophobicContact CD1-CG1 3.85Å; L29-V41 HydrophobicContact CG-CG1 4.46Å; V41-F43 HydrophobicContact CB-CE2 3.91Å; V41-F43 HydrophobicContact CG1-CD2 4.16Å; V41-F43 HydrophobicContact CG1-CE2 3.46Å; V41-F43 VanDerWaalsContact CG1-CE2 3.46Å; V41-F43 HydrophobicContact CG1-CZ 3.73Å; V41-V98 PolarHBondContact N-O 3.08Å; V41-V98 PolarHBondContact O-N 2.84Å; V41-L100 HydrophobicContact CG2-CD1 4Å; V41-L100 HydrophobicContact CG2-CD2 4.29Å; V41-L100 HydrophobicContact CG2-CG 4.05Å; V41-F106 HydrophobicContact CB-CD1 4.39Å; V41-F106 HydrophobicContact CG1-CD1 4.03Å; V41-F106 HydrophobicContact CG1-CE1 4.02Å; V41-F106 HydrophobicContact CG2-CB 3.8Å; V41-F106 HydrophobicContact CG2-CD1 3.63Å; V41-F106 HydrophobicContact CG2-CE1 4.44Å; V41-F106 HydrophobicContact CG2-CG 3.81Å |
| 42 | Q | 97.8 | Very high | 95.4 | Very high | 27 Ų | 27 | 70.5 Ų | 70.5 | 13% | 0.126 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.9 | -179.6 | -170.1 | 177.2 | -19.8 | 0 | 0 | 111.9 | V30 V95 A96 Y97 | V30-Q42 PolarHBondContact N-O 2.96Å; Q42-V95 HydrophobicContact CG-CG1 3.8Å; Q42-A96 WeakPolarHBondContact CA-O 3.47Å; Q42-Y97 HydrophobicContact CG-CD1 4.48Å; Q42-Y97 HydrophobicContact CG-CE1 4.27Å |
| 43 | F | 97.9 | Very high | 95.5 | Very high | 23 Ų | 23 | 70 Ų | 70 | 10% | 0.101 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 151 | 174.6 | -63.8 | -90.3 | 0 | 0 | 0 | 111.7 | T28 L29 V41 I45 L58 V95 A96 V98 | T28-F43 CarbonylContact O-C 3.51Å; T28-F43 VanDerWaalsContact O-CA 3.32Å; T28-F43 WeakPolarHBondContact O-CA 3.42Å; L29-F43 HydrophobicContact CB-CD1 4Å; L29-F43 HydrophobicContact CB-CE1 3.8Å; L29-F43 HydrophobicContact CD1-CE1 3.74Å; L29-F43 HydrophobicContact CD1-CZ 3.89Å; L29-F43 HydrophobicContact CG-CE1 4.13Å; V41-F43 HydrophobicContact CB-CE2 3.91Å; V41-F43 HydrophobicContact CG1-CD2 4.16Å; V41-F43 HydrophobicContact CG1-CE2 3.46Å; V41-F43 VanDerWaalsContact CG1-CE2 3.46Å; V41-F43 HydrophobicContact CG1-CZ 3.73Å; F43-I45 HydrophobicContact CB-CG2 4.09Å; F43-L58 HydrophobicContact CE2-CD1 4.12Å; F43-L58 HydrophobicContact CZ-CD1 4.34Å; F43-L58 HydrophobicContact CZ-CD2 4.27Å; F43-V95 WeakPolarHBondContact O-CA 3.07Å; F43-A96 HydrophobicContact CB-CB 4.38Å; F43-A96 PolarHBondContact N-O 2.85Å; F43-A96 PolarHBondContact O-N 3.04Å; F43-V98 HydrophobicContact CD2-CB 4.28Å; F43-V98 HydrophobicContact CD2-CG2 3.68Å; F43-V98 HydrophobicContact CE2-CB 4.13Å; F43-V98 HydrophobicContact CE2-CG2 3.92Å |
| 44 | R | 97.6 | Very high | 95.7 | Very high | 105 Ų | 105 | 66.2 Ų | 66.2 | 40% | 0.396 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.5 | 159 | -70.4 | -178.4 | -177.3 | -176.5 | 0.8 | 108.6 | T28 V30 Y93 K94 | T28-R44 PolarHBondContact N-O 2.88Å; T28-R44 PolarHBondContact O-N 3.14Å; V30-R44 HydrophobicContact CG2-CB 4.34Å; V30-R44 HydrophobicContact CG2-CG 3.76Å; R44-Y93 HydrophobicContact CG-CD2 3.94Å; R44-Y93 HydrophobicContact CG-CE2 4.17Å; R44-K94 WeakPolarHBondContact CA-O 3.47Å |
| 45 | I | 96.9 | Very high | 95.9 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 156.9 | -175.4 | 67.9 | 172.7 | 0 | 0 | 0 | 109.8 | L27 F43 M49 V54 T71 K94 A96 | L27-I45 HydrophobicContact CD2-CG2 4.15Å; L27-I45 HydrophobicContact CG-CG2 3.93Å; F43-I45 HydrophobicContact CB-CG2 4.09Å; I45-M49 HydrophobicContact CB-SD 4.21Å; I45-M49 HydrophobicContact CD1-CB 4.45Å; I45-M49 HydrophobicContact CG2-SD 4.44Å; I45-V54 HydrophobicContact CD1-CG2 3.7Å; I45-V54 HydrophobicContact CG2-CG2 4.18Å; I45-T71 HydrophobicContact CD1-CG2 3.98Å; I45-K94 HydrophobicContact CD1-CB 4.47Å; I45-K94 HydrophobicContact CD1-CD 3.61Å; I45-K94 HydrophobicContact CD1-CG 3.97Å; I45-K94 HydrophobicContact CG1-CB 3.77Å; I45-K94 HydrophobicContact CG1-CD 3.85Å; I45-K94 HydrophobicContact CG1-CG 3.81Å; I45-K94 PolarHBondContact N-O 2.97Å; I45-K94 PolarHBondContact O-N 3.48Å; I45-A96 HydrophobicContact CD1-CB 3.99Å; I45-A96 HydrophobicContact CG1-CB 4.47Å; I45-A96 HydrophobicContact CG2-CB 4.09Å |
| 46 | P | 94.9 | Very high | 96 | Very high | 31 Ų | 31 | 56 Ų | 56 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | trans | -68.2 | 159 | 177.1 | 25.3 | -29.6 | 0 | 0 | 0 | 111.5 | W25 F26 D48 M49 | W25-P46 HydrophobicContact CB-CG 4.11Å; W25-P46 HydrophobicContact CG-CG 4.24Å; F26-P46 WeakPolarHBondContact O-CD 3.47Å; P46-D48 PolarHBondContact O-N 2.92Å; P46-M49 HydrophobicContact CG-CB 4.01Å; P46-M49 PolarHBondContact O-N 3.29Å | ||
| 47 | M | 94.1 | Very high | 96.2 | Very high | 78 Ų | 78 | 53.8 Ų | 53.8 | 38% | 0.384 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -25.7 | -175.4 | -70.5 | -62.8 | -68.7 | 0 | 0 | 113.6 | I73 K94 | M47-I73 HydrophobicContact CE-CB 4.48Å; M47-I73 HydrophobicContact CE-CD1 3.75Å; M47-I73 HydrophobicContact CE-CG1 3.9Å; M47-I73 HydrophobicContact CE-CG2 3.75Å; M47-I73 HydrophobicContact SD-CG1 4.41Å; M47-I73 HydrophobicContact SD-CG2 4.24Å; M47-K94 VanDerWaalsContact O-CE 3.25Å; M47-K94 WeakPolarHBondContact O-CE 3.16Å; M47-K94 PolarHBondContact O-NZ 3.47Å; M47-K94 HydrophobicContact SD-CB 3.92Å |
| 48 | D | 92.1 | Very high | 96.3 | Very high | 98 Ų | 98 | 51 Ų | 51 | 52% | 0.524 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -19 | -177.6 | -54.5 | -31.5 | 0 | 0 | 0 | 112.6 | P46 | P46-D48 PolarHBondContact O-N 2.92Š|
| 49 | M | 94.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -78.8 | 134.4 | -172.9 | -164.2 | 179.5 | -163.8 | 0 | 0 | 111.9 | W25 L27 I45 P46 D53 V54 Y57 K94 | W25-M49 HydrophobicContact CB-SD 4.42Å; W25-M49 HydrophobicContact CD2-CE 4.38Å; W25-M49 HydrophobicContact CD2-CG 4.37Å; W25-M49 HydrophobicContact CE3-CE 3.82Å; W25-M49 HydrophobicContact CZ3-CE 4.35Å; L27-M49 HydrophobicContact CD1-CE 3.77Å; L27-M49 HydrophobicContact CD1-SD 3.76Å; L27-M49 HydrophobicContact CD2-CE 4.29Å; L27-M49 HydrophobicContact CD2-SD 4.4Å; L27-M49 HydrophobicContact CG-CE 4.43Å; L27-M49 HydrophobicContact CG-SD 4.15Å; I45-M49 HydrophobicContact CB-SD 4.21Å; I45-M49 HydrophobicContact CD1-CB 4.45Å; I45-M49 HydrophobicContact CG2-SD 4.44Å; P46-M49 HydrophobicContact CG-CB 4.01Å; P46-M49 PolarHBondContact O-N 3.29Å; M49-D53 HydrophobicContact CE-CB 3.9Å; M49-D53 HydrophobicContact CG-CB 3.65Å; M49-V54 HydrophobicContact CE-CB 4.38Å; M49-V54 HydrophobicContact CE-CG2 3.89Å; M49-V54 HydrophobicContact CG-CG2 4.01Å; M49-V54 HydrophobicContact SD-CG2 3.67Å; M49-Y57 HydrophobicContact CE-CD2 4.21Å; M49-Y57 HydrophobicContact CE-CG 3.97Å; M49-K94 PolarHBondContact O-NZ 3.39Å | ||
| 50 | T | 95.6 | Very high | 96.4 | Very high | 63 Ų | 63 | 55.4 Ų | 55.4 | 39% | 0.387 | 26% | 0.26 | S | S | . | . | trans | -95.1 | 168.9 | 178 | 74.2 | 0 | 0 | 0 | 0 | 112.1 | Y52 D53 V54 | T50-Y52 PolarHBondContact O-N 3.39Å; T50-Y52 PolarHBondContact OG1-N 3.38Å; T50-D53 VanDerWaalsContact CB-OD2 3.3Å; T50-D53 WeakPolarHBondContact CB-OD2 3.47Å; T50-D53 WeakPolarHBondContact CG2-OD2 3.41Å; T50-D53 PolarHBondContact N-OD2 2.82Å; T50-D53 PolarHBondContact O-N 3.42Å; T50-D53 PolarHBondContact OG1-N 3.48Å; T50-D53 PolarHBondContact OG1-OD2 2.66Å; T50-V54 WeakPolarHBondContact O-CG2 2.86Å; T50-V54 PolarHBondContact O-N 3.43Å; T50-V54 VanDerWaalsContact O-N 3.08Å | ||
| 51 | K | 97.6 | Very high | 96.4 | Very high | 96 Ų | 96 | 58.7 Ų | 58.7 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.5 | -31.2 | 176.3 | 63 | 178.2 | -177.7 | 177.6 | 0 | 113.1 | K55 V69 T71 | K51-K55 PolarHBondContact O-N 2.78Å; K51-V69 HydrophobicContact CB-CB 4.12Å; K51-V69 HydrophobicContact CB-CG1 3.91Å; K51-T71 HydrophobicContact CB-CG2 4.37Å |
| 52 | Y | 97.4 | Very high | 96.4 | Very high | 151 Ų | 151 | 64.8 Ų | 64.8 | 59% | 0.592 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -75.4 | -38 | 177.9 | -61.4 | -72.5 | 0 | 0 | 0 | 111.2 | T50 V54 K55 N56 | T50-Y52 PolarHBondContact O-N 3.39Å; T50-Y52 PolarHBondContact OG1-N 3.38Å; Y52-V54 VanDerWaalsContact C-N 3.32Å; Y52-V54 PolarHBondContact O-N 3.02Å; Y52-K55 PolarHBondContact O-N 3.29Å; Y52-N56 WeakPolarHBondContact O-CB 3.25Å; Y52-N56 PolarHBondContact O-N 3.3Å; Y52-N56 PolarHBondContact O-ND2 2.8Å |
| 53 | D | 96.3 | Very high | 96.3 | Very high | 38 Ų | 38 | 70 Ų | 70 | 20% | 0.203 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 173.2 | -57 | -41.4 | 0 | 0 | 0 | 110.6 | W25 M49 T50 K55 N56 Y57 | W25-D53 HydrophobicContact CH2-CB 3.92Å; W25-D53 HydrophobicContact CZ3-CB 3.87Å; M49-D53 HydrophobicContact CE-CB 3.9Å; M49-D53 HydrophobicContact CG-CB 3.65Å; T50-D53 VanDerWaalsContact CB-OD2 3.3Å; T50-D53 WeakPolarHBondContact CB-OD2 3.47Å; T50-D53 WeakPolarHBondContact CG2-OD2 3.41Å; T50-D53 PolarHBondContact N-OD2 2.82Å; T50-D53 PolarHBondContact O-N 3.42Å; T50-D53 PolarHBondContact OG1-N 3.48Å; T50-D53 PolarHBondContact OG1-OD2 2.66Å; D53-K55 VanDerWaalsContact C-N 3.34Å; D53-K55 PolarHBondContact O-N 3.08Å; D53-N56 PolarHBondContact O-N 2.87Å; D53-Y57 WeakPolarHBondContact O-CB 3.24Å; D53-Y57 PolarHBondContact O-N 2.87Å |
| 54 | V | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 178 | 173.5 | 0 | 0 | 0 | 0 | 111 | L27 I45 M49 T50 Y52 Y57 L58 V69 V98 | L27-V54 HydrophobicContact CD2-CG1 4.38Å; I45-V54 HydrophobicContact CD1-CG2 3.7Å; I45-V54 HydrophobicContact CG2-CG2 4.18Å; M49-V54 HydrophobicContact CE-CB 4.38Å; M49-V54 HydrophobicContact CE-CG2 3.89Å; M49-V54 HydrophobicContact CG-CG2 4.01Å; M49-V54 HydrophobicContact SD-CG2 3.67Å; T50-V54 WeakPolarHBondContact O-CG2 2.86Å; T50-V54 PolarHBondContact O-N 3.43Å; T50-V54 VanDerWaalsContact O-N 3.08Å; Y52-V54 VanDerWaalsContact C-N 3.32Å; Y52-V54 PolarHBondContact O-N 3.02Å; V54-Y57 PolarHBondContact O-N 2.83Å; V54-L58 HydrophobicContact CG1-CD1 4Å; V54-L58 WeakPolarHBondContact O-CB 3.4Å; V54-L58 WeakPolarHBondContact O-CG 3.41Å; V54-L58 PolarHBondContact O-N 2.64Å; V54-V69 HydrophobicContact CB-CG1 4.26Å; V54-V69 HydrophobicContact CG1-CG1 4.14Å; V54-V69 HydrophobicContact CG1-CG2 4.45Å; V54-V98 HydrophobicContact CG1-CG2 4.07Å |
| 55 | K | 97.6 | Very high | 96.2 | Very high | 72 Ų | 72 | 67.4 Ų | 67.4 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.3 | -54.9 | 177.4 | -179.4 | 172.7 | -177.2 | 172.5 | 0 | 111.1 | K51 Y52 D53 Y57 L58 E59 V66 V69 | K51-K55 PolarHBondContact O-N 2.78Å; Y52-K55 PolarHBondContact O-N 3.29Å; D53-K55 VanDerWaalsContact C-N 3.34Å; D53-K55 PolarHBondContact O-N 3.08Å; K55-Y57 VanDerWaalsContact C-N 3.3Å; K55-Y57 PolarHBondContact O-N 2.88Å; K55-L58 PolarHBondContact O-N 3.32Å; K55-E59 WeakPolarHBondContact CE-OE1 3.49Å; K55-E59 HydrophobicContact CG-CG 4.45Å; K55-E59 IonicContact NZ-OE1 3.82Å; K55-E59 WeakPolarHBondContact O-CB 3.46Å; K55-E59 WeakPolarHBondContact O-CG 3.38Å; K55-E59 PolarHBondContact O-N 2.8Å; K55-V66 WeakPolarHBondContact CE-O 3.39Å; K55-V66 HydrophobicContact CG-CB 4.2Å; K55-V66 HydrophobicContact CG-CG1 4.23Å; K55-V69 HydrophobicContact CB-CG2 4.32Å |
| 56 | N | 96.9 | Very high | 96.2 | Very high | 85 Ų | 85 | 67.2 Ų | 67.2 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | -179.5 | -70.8 | -21.1 | 0 | 0 | 0 | 112.1 | Y52 D53 K60 | Y52-N56 WeakPolarHBondContact O-CB 3.25Å; Y52-N56 PolarHBondContact O-N 3.3Å; Y52-N56 PolarHBondContact O-ND2 2.8Å; D53-N56 PolarHBondContact O-N 2.87Å; N56-K60 WeakPolarHBondContact O-CB 3.46Å; N56-K60 WeakPolarHBondContact O-CG 3.49Å; N56-K60 PolarHBondContact O-N 3.35Å |
| 57 | Y | 96.9 | Very high | 96.2 | Very high | 34 Ų | 34 | 67.5 Ų | 67.5 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 179.8 | -171.2 | -87.3 | 0 | 0 | 0 | 111.2 | P23 W25 L27 M49 D53 V54 K55 I61 Y62 | P23-Y57 HydrophobicContact CB-CE2 4.39Å; P23-Y57 HydrophobicContact CG-CD2 4.39Å; P23-Y57 HydrophobicContact CG-CE2 4.01Å; W25-Y57 HydrophobicContact CE3-CD2 4.31Å; L27-Y57 HydrophobicContact CD1-CD1 3.64Å; L27-Y57 HydrophobicContact CD1-CD2 4.42Å; L27-Y57 HydrophobicContact CD1-CE1 3.44Å; L27-Y57 VanDerWaalsContact CD1-CE1 3.44Å; L27-Y57 HydrophobicContact CD1-CE2 4.27Å; L27-Y57 HydrophobicContact CD1-CG 4.15Å; L27-Y57 HydrophobicContact CD2-CD1 3.9Å; L27-Y57 HydrophobicContact CD2-CE1 4.26Å; L27-Y57 HydrophobicContact CG-CD1 4.36Å; L27-Y57 HydrophobicContact CG-CE1 4.3Å; M49-Y57 HydrophobicContact CE-CD2 4.21Å; M49-Y57 HydrophobicContact CE-CG 3.97Å; D53-Y57 WeakPolarHBondContact O-CB 3.24Å; D53-Y57 PolarHBondContact O-N 2.87Å; V54-Y57 PolarHBondContact O-N 2.83Å; K55-Y57 VanDerWaalsContact C-N 3.3Å; K55-Y57 PolarHBondContact O-N 2.88Å; Y57-I61 HydrophobicContact CD1-CD1 4.19Å; Y57-I61 HydrophobicContact CD2-CD1 3.45Å; Y57-I61 VanDerWaalsContact CD2-CD1 3.45Å; Y57-I61 HydrophobicContact CE1-CD1 4.05Å; Y57-I61 HydrophobicContact CE2-CD1 3.27Å; Y57-I61 HydrophobicContact CG-CD1 3.9Å; Y57-I61 VanDerWaalsContact O-CB 3.26Å; Y57-I61 WeakPolarHBondContact O-CB 3.08Å; Y57-I61 PolarHBondContact O-N 3.45Å; Y57-Y62 HydrophobicContact CD1-CD2 4.49Å; Y57-Y62 HydrophobicContact CD1-CE2 4.18Å; Y57-Y62 HydrophobicContact CE1-CD2 4.36Å; Y57-Y62 AromaticContact CE1-CE2 3.62Å; Y57-Y62 HydrophobicContact CE1-CE2 3.62Å |
| 58 | L | 97.1 | Very high | 96.4 | Very high | 9 Ų | 9 | 66.9 Ų | 66.9 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.2 | -42 | 178.1 | -70.4 | 178.1 | 0 | 0 | 0 | 112.5 | L27 F43 V54 K55 Y62 N63 V64 V66 V98 | L27-L58 HydrophobicContact CD2-CD2 4.48Å; F43-L58 HydrophobicContact CE2-CD1 4.12Å; F43-L58 HydrophobicContact CZ-CD1 4.34Å; F43-L58 HydrophobicContact CZ-CD2 4.27Å; V54-L58 HydrophobicContact CG1-CD1 4Å; V54-L58 WeakPolarHBondContact O-CB 3.4Å; V54-L58 WeakPolarHBondContact O-CG 3.41Å; V54-L58 PolarHBondContact O-N 2.64Å; K55-L58 PolarHBondContact O-N 3.32Å; L58-Y62 HydrophobicContact CD2-CD2 4.15Å; L58-Y62 CarbonylContact O-C 3.58Å; L58-Y62 WeakPolarHBondContact O-CA 3.39Å; L58-Y62 WeakPolarHBondContact O-CB 3.3Å; L58-Y62 PolarHBondContact O-N 3.02Å; L58-Y62 VanDerWaalsContact O-N 3.16Å; L58-N63 PolarHBondContact O-N 3.41Å; L58-N63 VanDerWaalsContact O-N 3.11Å; L58-V64 PolarHBondContact O-N 3.48Å; L58-V64 VanDerWaalsContact O-N 3.15Å; L58-V66 HydrophobicContact CB-CG2 3.91Å; L58-V66 HydrophobicContact CD1-CG2 3.98Å; L58-V98 HydrophobicContact CD1-CG1 4Å; L58-V98 HydrophobicContact CD1-CG2 4.18Å |
| 59 | E | 96.9 | Very high | 96.6 | Very high | 58 Ų | 58 | 63 Ų | 63 | 27% | 0.271 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.7 | -38.9 | 179.7 | -75.6 | 178.9 | 173.4 | 0 | 0 | 112.7 | K55 N63 V64 V66 | K55-E59 WeakPolarHBondContact CE-OE1 3.49Å; K55-E59 HydrophobicContact CG-CG 4.45Å; K55-E59 IonicContact NZ-OE1 3.82Å; K55-E59 WeakPolarHBondContact O-CB 3.46Å; K55-E59 WeakPolarHBondContact O-CG 3.38Å; K55-E59 PolarHBondContact O-N 2.8Å; E59-N63 VanDerWaalsContact O-CA 3.31Å; E59-N63 WeakPolarHBondContact O-CA 3.41Å; E59-N63 PolarHBondContact O-N 3.36Å; E59-V64 VanDerWaalsContact CG-O 3.24Å; E59-V64 WeakPolarHBondContact CG-O 3.48Å; E59-V66 HydrophobicContact CG-CB 4.49Å |
| 60 | K | 96.3 | Very high | 96.8 | Very high | 164 Ų | 164 | 70.2 Ų | 70.2 | 71% | 0.713 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -89.8 | -32.2 | -174.1 | -61.5 | -63.1 | -179.3 | -172.3 | 0 | 114.2 | N56 | N56-K60 WeakPolarHBondContact O-CB 3.46Å; N56-K60 WeakPolarHBondContact O-CG 3.49Å; N56-K60 PolarHBondContact O-N 3.35Å |
| 61 | I | 96.6 | Very high | 96.9 | Very high | 84 Ų | 84 | 70 Ų | 70 | 43% | 0.431 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -95 | -41.9 | -177.7 | -59 | 175 | 0 | 0 | 0 | 110.9 | P23 Y57 | P23-I61 HydrophobicContact CG-CD1 4.48Å; Y57-I61 HydrophobicContact CD1-CD1 4.19Å; Y57-I61 HydrophobicContact CD2-CD1 3.45Å; Y57-I61 VanDerWaalsContact CD2-CD1 3.45Å; Y57-I61 HydrophobicContact CE1-CD1 4.05Å; Y57-I61 HydrophobicContact CE2-CD1 3.27Å; Y57-I61 HydrophobicContact CG-CD1 3.9Å; Y57-I61 VanDerWaalsContact O-CB 3.26Å; Y57-I61 WeakPolarHBondContact O-CB 3.08Å; Y57-I61 PolarHBondContact O-N 3.45Å |
| 62 | Y | 96.4 | Very high | 96.9 | Very high | 137 Ų | 137 | 70.6 Ų | 70.6 | 54% | 0.537 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -106.4 | -2.3 | -175.2 | -63 | -85.3 | 0 | 0 | 0 | 113.7 | Y57 L58 V64 | Y57-Y62 HydrophobicContact CD1-CD2 4.49Å; Y57-Y62 HydrophobicContact CD1-CE2 4.18Å; Y57-Y62 HydrophobicContact CE1-CD2 4.36Å; Y57-Y62 AromaticContact CE1-CE2 3.62Å; Y57-Y62 HydrophobicContact CE1-CE2 3.62Å; L58-Y62 HydrophobicContact CD2-CD2 4.15Å; L58-Y62 CarbonylContact O-C 3.58Å; L58-Y62 WeakPolarHBondContact O-CA 3.39Å; L58-Y62 WeakPolarHBondContact O-CB 3.3Å; L58-Y62 PolarHBondContact O-N 3.02Å; L58-Y62 VanDerWaalsContact O-N 3.16Å; Y62-V64 PolarHBondContact O-N 3.39Å |
| 63 | N | 96.9 | Very high | 97 | Very high | 135 Ų | 135 | 68.4 Ų | 68.4 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | trans | 55.2 | 31.6 | -178.1 | -55.4 | -54.3 | 0 | 0 | 0 | 113.6 | L58 E59 | L58-N63 PolarHBondContact O-N 3.41Å; L58-N63 VanDerWaalsContact O-N 3.11Å; E59-N63 VanDerWaalsContact O-CA 3.31Å; E59-N63 WeakPolarHBondContact O-CA 3.41Å; E59-N63 PolarHBondContact O-N 3.36Å | ||
| 64 | V | 96 | Very high | 97 | Very high | 42 Ų | 42 | 69.2 Ų | 69.2 | 26% | 0.255 | 34% | 0.339 | S | S | . | . | trans | -90.9 | 123.9 | -179.7 | 178 | 0 | 0 | 0 | 0 | 109.5 | L58 E59 Y62 V66 L100 | L58-V64 PolarHBondContact O-N 3.48Å; L58-V64 VanDerWaalsContact O-N 3.15Å; E59-V64 VanDerWaalsContact CG-O 3.24Å; E59-V64 WeakPolarHBondContact CG-O 3.48Å; Y62-V64 PolarHBondContact O-N 3.39Å; V64-V66 HydrophobicContact CG1-CG2 4.33Å; V64-V66 PolarHBondContact O-N 2.95Å; V64-L100 HydrophobicContact CG1-CD2 3.59Å | ||
| 65 | P | 96.4 | Very high | 97 | Very high | 32 Ų | 32 | 75.4 Ų | 75.4 | 21% | 0.208 | 37% | 0.366 | C | S | . | . | trans | -76.2 | 114.3 | 178.5 | 33 | -35.1 | 0 | 0 | 0 | 109.8 | A101 | P65-A101 HydrophobicContact CB-CB 4.12Å; P65-A101 PolarHBondContact O-N 2.97Å | ||
| 66 | V | 96.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 72.3 Ų | 72.3 | 3% | 0.03 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124.1 | -174.8 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | K55 L58 E59 V64 V69 V98 | K55-V66 WeakPolarHBondContact CE-O 3.39Å; K55-V66 HydrophobicContact CG-CB 4.2Å; K55-V66 HydrophobicContact CG-CG1 4.23Å; L58-V66 HydrophobicContact CB-CG2 3.91Å; L58-V66 HydrophobicContact CD1-CG2 3.98Å; E59-V66 HydrophobicContact CG-CB 4.49Å; V64-V66 HydrophobicContact CG1-CG2 4.33Å; V64-V66 PolarHBondContact O-N 2.95Å; V66-V69 HydrophobicContact CG1-CG2 3.51Å; V66-V98 HydrophobicContact CB-CG1 4.37Å; V66-V98 HydrophobicContact CG1-CG1 3.63Å; V66-V98 HydrophobicContact CG2-CG1 3.88Å |
| 67 | G | 95.4 | Very high | 96.9 | Very high | 37 Ų | 37 | 71.1 Ų | 71.1 | 38% | 0.381 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -76.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q99 | G67-Q99 PolarHBondContact N-O 3.21Å |
| 68 | V | 96.6 | Very high | 96.9 | Very high | 65 Ų | 65 | 72.3 Ų | 72.3 | 39% | 0.394 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136.3 | -173.6 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | R70 Q99 | V68-R70 HydrophobicContact CG1-CG 4.23Å; V68-Q99 HydrophobicContact CB-CB 4.42Å; V68-Q99 PolarHBondContact N-O 3.47Å; V68-Q99 PolarHBondContact O-N 3.17Å |
| 69 | V | 98.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 80.8 Ų | 80.8 | 10% | 0.103 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122.4 | 174.2 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | K51 V54 K55 V66 T71 Y97 V98 | K51-V69 HydrophobicContact CB-CB 4.12Å; K51-V69 HydrophobicContact CB-CG1 3.91Å; V54-V69 HydrophobicContact CB-CG1 4.26Å; V54-V69 HydrophobicContact CG1-CG1 4.14Å; V54-V69 HydrophobicContact CG1-CG2 4.45Å; K55-V69 HydrophobicContact CB-CG2 4.32Å; V66-V69 HydrophobicContact CG1-CG2 3.51Å; V69-T71 HydrophobicContact CG1-CG2 4.11Å; V69-Y97 WeakPolarHBondContact CA-O 3.49Å; V69-V98 HydrophobicContact CG1-CG2 4.36Å; V69-V98 HydrophobicContact CG2-CG1 4.4Å; V69-V98 HydrophobicContact CG2-CG2 4.32Å |
| 70 | R | 98.1 | Very high | 96.8 | Very high | 151 Ų | 151 | 84.6 Ų | 84.6 | 57% | 0.57 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.5 | 172 | -62.5 | -177.6 | 179.5 | 110.6 | -0.1 | 109.1 | V68 A96 Y97 | V68-R70 HydrophobicContact CG1-CG 4.23Å; R70-A96 CarbonylContact O-C 3.54Å; R70-A96 WeakPolarHBondContact O-CA 3.47Å; R70-Y97 PolarHBondContact N-O 3.4Å; R70-Y97 PolarHBondContact O-N 3.46Å |
| 71 | T | 97.9 | Very high | 96.9 | Very high | 59 Ų | 59 | 82.6 Ų | 82.6 | 36% | 0.362 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.8 | 179.9 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | I45 K51 V69 V95 A96 | I45-T71 HydrophobicContact CD1-CG2 3.98Å; K51-T71 HydrophobicContact CB-CG2 4.37Å; V69-T71 HydrophobicContact CG1-CG2 4.11Å; T71-V95 CarbonylContact C-O 3.53Å; T71-V95 WeakPolarHBondContact CA-O 3.46Å; T71-A96 HydrophobicContact CG2-CB 3.9Å |
| 72 | R | 97.8 | Very high | 96.9 | Very high | 107 Ų | 107 | 81 Ų | 81 | 40% | 0.404 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.2 | 170.5 | 68.8 | -176.6 | -174.2 | 89.6 | 2.5 | 110.3 | V95 Y97 | R72-V95 HydrophobicContact CG-CB 4.15Å; R72-V95 PolarHBondContact N-O 2.94Å; R72-V95 PolarHBondContact O-N 3.12Å; R72-Y97 HydrophobicContact CG-CE2 4.12Å; R72-Y97 PolarHBondContact NE-OH 3.11Å; R72-Y97 PolarHBondContact NH2-OH 2.93Å |
| 73 | I | 97.9 | Very high | 96.9 | Very high | 105 Ų | 105 | 82.9 Ų | 82.9 | 54% | 0.538 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128.5 | 173.8 | -63.8 | 168.1 | 0 | 0 | 0 | 108.2 | M47 K94 | M47-I73 HydrophobicContact CE-CB 4.48Å; M47-I73 HydrophobicContact CE-CD1 3.75Å; M47-I73 HydrophobicContact CE-CG1 3.9Å; M47-I73 HydrophobicContact CE-CG2 3.75Å; M47-I73 HydrophobicContact SD-CG1 4.41Å; M47-I73 HydrophobicContact SD-CG2 4.24Å; I73-K94 HydrophobicContact CG1-CG 4.4Å |
| 74 | Q | 97 | Very high | 96.9 | Very high | 56 Ų | 56 | 81.5 Ų | 81.5 | 26% | 0.262 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 119.1 | 174.6 | -179.3 | 61.6 | 59.4 | 0 | 0 | 109.5 | Y93 V95 | Q74-Y93 WeakPolarHBondContact CA-O 3.18Å; Q74-Y93 HydrophobicContact CB-CD1 4.49Å; Q74-Y93 HydrophobicContact CB-CD2 4.1Å; Q74-Y93 HydrophobicContact CB-CE1 4.22Å; Q74-Y93 HydrophobicContact CB-CE2 3.8Å; Q74-Y93 HydrophobicContact CB-CG 4.45Å; Q74-Y93 WeakPolarHBondContact CB-O 3.2Å; Q74-Y93 HydrophobicContact CG-CE1 3.84Å; Q74-Y93 HydrophobicContact CG-CE2 3.98Å; Q74-Y93 PolarHBondContact N-O 3.16Å; Q74-Y93 PolarHBondContact O-N 3.15Å; Q74-V95 HydrophobicContact CB-CG2 4.3Å |
| 75 | F | 97.4 | Very high | 96.9 | Very high | 129 Ų | 129 | 84.7 Ų | 84.7 | 57% | 0.566 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 126.3 | 172 | -171.1 | -98.5 | 0 | 0 | 0 | 110.3 | K89 D92 | F75-K89 VanDerWaalsContact CD2-NZ 3.28Å; F75-D92 WeakPolarHBondContact CA-OD1 3.26Å |
| 76 | G | 95.9 | Very high | 97 | Very high | 7 Ų | 7 | 88.5 Ų | 88.5 | 7% | 0.072 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 143.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N78 K89 D92 | G76-N78 PolarHBondContact O-N 3.34Å; G76-K89 PolarHBondContact O-NZ 2.94Å; G76-D92 PolarHBondContact N-OD1 3.08Å |
| 77 | S | 96.9 | Very high | 97 | Very high | 61 Ų | 61 | 96.3 Ų | 96.3 | 43% | 0.427 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -60 | 139.5 | -179.8 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | K79 K90 | S77-K79 PolarHBondContact OG-N 2.88Å; S77-K90 PolarHBondContact O-N 3.03Å |
| 78 | N | 96.2 | Very high | 97.1 | Very high | 59 Ų | 59 | 97.4 Ų | 97.4 | 32% | 0.316 | 46% | 0.459 | S | S | . | . | trans | -117.3 | 22.9 | 174.1 | -161.4 | 15 | 0 | 0 | 0 | 112.3 | G76 K89 | G76-N78 PolarHBondContact O-N 3.34Å; N78-K89 HydrophobicContact CB-CD 3.82Å | ||
| 79 | K | 96 | Very high | 97.1 | Very high | 186 Ų | 186 | 97.8 Ų | 97.8 | 81% | 0.809 | 46% | 0.455 | S | S | * | . | trans | -86.7 | -26.8 | -176.8 | -170.8 | 176.1 | 178.2 | -179.3 | 0 | 112.8 | S77 | S77-K79 PolarHBondContact OG-N 2.88Š| ||
| 80 | K | 96.6 | Very high | 97 | Very high | 139 Ų | 139 | 103 Ų | 103 | 60% | 0.604 | 48% | 0.476 | S | S | * | . | trans | -64.9 | 137.7 | -176.9 | -173.7 | 177.8 | 179.8 | -179.2 | 0 | 110 | R87 V88 | K80-R87 WeakPolarHBondContact O-CA 3.44Å; K80-V88 PolarHBondContact O-N 3.43Å | ||
| 81 | R | 97.6 | Very high | 96.9 | Very high | 122 Ų | 122 | 101 Ų | 101 | 46% | 0.46 | 48% | 0.483 | S | S | . | . | B | Isolated β-bridge | trans | -118.9 | 151.3 | 171.3 | -62.3 | -174.3 | 178.4 | -118 | 10.2 | 110.6 | N85 Q86 R87 | R81-N85 WeakPolarHBondContact CD-OD1 3.46Å; R81-N85 PolarHBondContact NH1-O 3.2Å; R81-N85 PolarHBondContact NH1-OD1 3.2Å; R81-Q86 CarbonylContact C-O 3.42Å; R81-Q86 WeakPolarHBondContact CA-O 3.46Å; R81-R87 HydrophobicContact CG-CG 4.46Å |
| 82 | N | 96.9 | Very high | 96.8 | Very high | 50 Ų | 50 | 101.2 Ų | 101.2 | 27% | 0.267 | 48% | 0.482 | S | S | . | . | trans | -87.1 | 180 | 172.6 | 69 | 3.3 | 0 | 0 | 0 | 111.2 | L84 N85 Q86 V88 | N82-L84 PolarHBondContact O-N 2.67Å; N82-L84 WeakPolarHBondContact OD1-CA 3.31Å; N82-L84 PolarHBondContact OD1-N 2.72Å; N82-L84 VanDerWaalsContact OD1-N 3.08Å; N82-N85 PolarHBondContact O-N 3.47Å; N82-N85 PolarHBondContact OD1-N 2.69Å; N82-Q86 PolarHBondContact N-O 2.92Å; N82-Q86 PolarHBondContact ND2-OE1 2.8Å; N82-Q86 WeakPolarHBondContact OD1-CA 3.42Å; N82-Q86 WeakPolarHBondContact OD1-CB 3.44Å; N82-Q86 PolarHBondContact OD1-N 3.27Å; N82-Q86 PolarHBondContact OD1-O 3.46Å; N82-V88 HydrophobicContact CB-CG2 4.13Å | ||
| 83 | H | 96.8 | Very high | 96.7 | Very high | 176 Ų | 176 | 99.7 Ų | 99.7 | 82% | 0.815 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.2 | 177.6 | 63.1 | 92.5 | 0 | 0 | 0 | 113.6 | N85 | H83-N85 VanDerWaalsContact C-N 3.33Š|
| 84 | L | 97 | Very high | 96.7 | Very high | 106 Ų | 106 | 95.9 Ų | 95.9 | 56% | 0.555 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 14.3 | 173.6 | -55.6 | 177.4 | 0 | 0 | 0 | 112.8 | N82 Q86 | N82-L84 PolarHBondContact O-N 2.67Å; N82-L84 WeakPolarHBondContact OD1-CA 3.31Å; N82-L84 PolarHBondContact OD1-N 2.72Å; N82-L84 VanDerWaalsContact OD1-N 3.08Å; L84-Q86 HydrophobicContact CB-CG 4.17Å; L84-Q86 PolarHBondContact O-N 3.28Å; L84-Q86 VanDerWaalsContact O-N 3.12Å |
| 85 | N | 96.1 | Very high | 96.8 | Very high | 109 Ų | 109 | 93.2 Ų | 93.2 | 58% | 0.583 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 61.3 | 15.5 | -178.1 | -162.5 | 20.6 | 0 | 0 | 0 | 115 | R81 N82 H83 | R81-N85 WeakPolarHBondContact CD-OD1 3.46Å; R81-N85 PolarHBondContact NH1-O 3.2Å; R81-N85 PolarHBondContact NH1-OD1 3.2Å; N82-N85 PolarHBondContact O-N 3.47Å; N82-N85 PolarHBondContact OD1-N 2.69Å; H83-N85 VanDerWaalsContact C-N 3.33Å |
| 86 | Q | 97.4 | Very high | 96.8 | Very high | 113 Ų | 113 | 87.1 Ų | 87.1 | 53% | 0.528 | 42% | 0.417 | S | S | . | . | trans | -84.1 | 142.2 | 176.5 | -56.3 | 167.8 | -21.3 | 0 | 0 | 110.7 | R81 N82 L84 | R81-Q86 CarbonylContact C-O 3.42Å; R81-Q86 WeakPolarHBondContact CA-O 3.46Å; N82-Q86 PolarHBondContact N-O 2.92Å; N82-Q86 PolarHBondContact ND2-OE1 2.8Å; N82-Q86 WeakPolarHBondContact OD1-CA 3.42Å; N82-Q86 WeakPolarHBondContact OD1-CB 3.44Å; N82-Q86 PolarHBondContact OD1-N 3.27Å; N82-Q86 PolarHBondContact OD1-O 3.46Å; L84-Q86 HydrophobicContact CB-CG 4.17Å; L84-Q86 PolarHBondContact O-N 3.28Å; L84-Q86 VanDerWaalsContact O-N 3.12Å | ||
| 87 | R | 96.8 | Very high | 96.9 | Very high | 168 Ų | 168 | 89.1 Ų | 89.1 | 63% | 0.634 | 42% | 0.423 | S | S | * | . | B | Isolated β-bridge | trans | -72.9 | 134 | 179 | -68.3 | -177.4 | 177.4 | 174.7 | -1.5 | 111 | K80 R81 | K80-R87 WeakPolarHBondContact O-CA 3.44Å; R81-R87 HydrophobicContact CG-CG 4.46Å |
| 88 | V | 97.2 | Very high | 96.9 | Very high | 61 Ų | 61 | 86.2 Ų | 86.2 | 37% | 0.37 | 40% | 0.403 | S | S | . | . | trans | -111.2 | 107.1 | 175.8 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | K80 N82 | K80-V88 PolarHBondContact O-N 3.43Å; N82-V88 HydrophobicContact CB-CG2 4.13Å | ||
| 89 | K | 96.8 | Very high | 97 | Very high | 73 Ų | 73 | 85.7 Ų | 85.7 | 32% | 0.317 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 125 | 179.4 | 174.6 | 63.4 | 178.7 | 177.3 | 0 | 110.4 | F75 G76 N78 D92 | F75-K89 VanDerWaalsContact CD2-NZ 3.28Å; G76-K89 PolarHBondContact O-NZ 2.94Å; N78-K89 HydrophobicContact CB-CD 3.82Å; K89-D92 WeakPolarHBondContact CE-OD1 3.32Å; K89-D92 IonicContact NZ-OD1 3.5Å; K89-D92 PolarHBondContact NZ-OD1 3.02Å; K89-D92 IonicContact NZ-OD2 2.67Å |
| 90 | K | 96.7 | Very high | 97 | Very high | 125 Ų | 125 | 78 Ų | 78 | 54% | 0.543 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 136.2 | 164.5 | -66.8 | -172.9 | 177.9 | -175.4 | 0 | 109.1 | S77 D92 | S77-K90 PolarHBondContact O-N 3.03Å; K90-D92 PolarHBondContact O-N 3.38Å |
| 91 | P | 95.5 | Very high | 96.8 | Very high | 110 Ų | 110 | 72.7 Ų | 72.7 | 71% | 0.714 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 137.9 | -178.8 | 26 | -34.1 | 0 | 0 | 0 | 110.7 | ||
| 92 | D | 96.7 | Very high | 96.3 | Very high | 63 Ų | 63 | 74.1 Ų | 74.1 | 34% | 0.337 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 150.3 | 171.6 | -63 | -18.9 | 0 | 0 | 0 | 109.1 | F75 G76 K89 K90 | F75-D92 WeakPolarHBondContact CA-OD1 3.26Å; G76-D92 PolarHBondContact N-OD1 3.08Å; K89-D92 WeakPolarHBondContact CE-OD1 3.32Å; K89-D92 IonicContact NZ-OD1 3.5Å; K89-D92 PolarHBondContact NZ-OD1 3.02Å; K89-D92 IonicContact NZ-OD2 2.67Å; K90-D92 PolarHBondContact O-N 3.38Å |
| 93 | Y | 95.9 | Very high | 95.7 | Very high | 75 Ų | 75 | 77.4 Ų | 77.4 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 155.3 | 177.4 | 61.1 | -89.3 | 0 | 0 | 0 | 110.6 | R44 Q74 V95 | R44-Y93 HydrophobicContact CG-CD2 3.94Å; R44-Y93 HydrophobicContact CG-CE2 4.17Å; Q74-Y93 WeakPolarHBondContact CA-O 3.18Å; Q74-Y93 HydrophobicContact CB-CD1 4.49Å; Q74-Y93 HydrophobicContact CB-CD2 4.1Å; Q74-Y93 HydrophobicContact CB-CE1 4.22Å; Q74-Y93 HydrophobicContact CB-CE2 3.8Å; Q74-Y93 HydrophobicContact CB-CG 4.45Å; Q74-Y93 WeakPolarHBondContact CB-O 3.2Å; Q74-Y93 HydrophobicContact CG-CE1 3.84Å; Q74-Y93 HydrophobicContact CG-CE2 3.98Å; Q74-Y93 PolarHBondContact N-O 3.16Å; Q74-Y93 PolarHBondContact O-N 3.15Å; Y93-V95 HydrophobicContact CD2-CG2 3.78Å; Y93-V95 HydrophobicContact CE2-CG2 3.46Å; Y93-V95 VanDerWaalsContact CE2-CG2 3.46Å |
| 94 | K | 97.6 | Very high | 95.5 | Very high | 25 Ų | 25 | 72.7 Ų | 72.7 | 11% | 0.109 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.9 | 176.8 | -169.9 | -177.2 | -61.3 | -180 | 0 | 109.4 | R44 I45 M47 M49 I73 | R44-K94 WeakPolarHBondContact CA-O 3.47Å; I45-K94 HydrophobicContact CD1-CB 4.47Å; I45-K94 HydrophobicContact CD1-CD 3.61Å; I45-K94 HydrophobicContact CD1-CG 3.97Å; I45-K94 HydrophobicContact CG1-CB 3.77Å; I45-K94 HydrophobicContact CG1-CD 3.85Å; I45-K94 HydrophobicContact CG1-CG 3.81Å; I45-K94 PolarHBondContact N-O 2.97Å; I45-K94 PolarHBondContact O-N 3.48Å; M47-K94 VanDerWaalsContact O-CE 3.25Å; M47-K94 WeakPolarHBondContact O-CE 3.16Å; M47-K94 PolarHBondContact O-NZ 3.47Å; M47-K94 HydrophobicContact SD-CB 3.92Å; M49-K94 PolarHBondContact O-NZ 3.39Å; I73-K94 HydrophobicContact CG1-CG 4.4Å |
| 95 | V | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 134.5 | 176.4 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | Q42 F43 T71 R72 Q74 Y93 Y97 | Q42-V95 HydrophobicContact CG-CG1 3.8Å; F43-V95 WeakPolarHBondContact O-CA 3.07Å; T71-V95 CarbonylContact C-O 3.53Å; T71-V95 WeakPolarHBondContact CA-O 3.46Å; R72-V95 HydrophobicContact CG-CB 4.15Å; R72-V95 PolarHBondContact N-O 2.94Å; R72-V95 PolarHBondContact O-N 3.12Å; Q74-V95 HydrophobicContact CB-CG2 4.3Å; Y93-V95 HydrophobicContact CD2-CG2 3.78Å; Y93-V95 HydrophobicContact CE2-CG2 3.46Å; Y93-V95 VanDerWaalsContact CE2-CG2 3.46Å; V95-Y97 HydrophobicContact CG1-CD2 4.34Å; V95-Y97 HydrophobicContact CG1-CE1 4.4Å; V95-Y97 HydrophobicContact CG1-CE2 3.79Å |
| 96 | A | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q42 F43 I45 R70 T71 V98 | Q42-A96 WeakPolarHBondContact CA-O 3.47Å; F43-A96 HydrophobicContact CB-CB 4.38Å; F43-A96 PolarHBondContact N-O 2.85Å; F43-A96 PolarHBondContact O-N 3.04Å; I45-A96 HydrophobicContact CD1-CB 3.99Å; I45-A96 HydrophobicContact CG1-CB 4.47Å; I45-A96 HydrophobicContact CG2-CB 4.09Å; R70-A96 CarbonylContact O-C 3.54Å; R70-A96 WeakPolarHBondContact O-CA 3.47Å; T71-A96 HydrophobicContact CG2-CB 3.9Å; A96-V98 HydrophobicContact CB-CG2 4.43Å |
| 97 | Y | 97.9 | Very high | 95.2 | Very high | 49 Ų | 49 | 71.5 Ų | 71.5 | 19% | 0.192 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 116.9 | 168.1 | -58.8 | -86.1 | 0 | 0 | 0 | 107.1 | T40 Q42 V69 R70 R72 V95 | T40-Y97 HydrophobicContact CG2-CD1 4.43Å; Q42-Y97 HydrophobicContact CG-CD1 4.48Å; Q42-Y97 HydrophobicContact CG-CE1 4.27Å; V69-Y97 WeakPolarHBondContact CA-O 3.49Å; R70-Y97 PolarHBondContact N-O 3.4Å; R70-Y97 PolarHBondContact O-N 3.46Å; R72-Y97 HydrophobicContact CG-CE2 4.12Å; R72-Y97 PolarHBondContact NE-OH 3.11Å; R72-Y97 PolarHBondContact NH2-OH 2.93Å; V95-Y97 HydrophobicContact CG1-CD2 4.34Å; V95-Y97 HydrophobicContact CG1-CE1 4.4Å; V95-Y97 HydrophobicContact CG1-CE2 3.79Å |
| 98 | V | 97.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.3 | -174.8 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | T40 V41 F43 V54 L58 V66 V69 A96 | T40-V98 WeakPolarHBondContact CA-O 3.17Å; V41-V98 PolarHBondContact N-O 3.08Å; V41-V98 PolarHBondContact O-N 2.84Å; F43-V98 HydrophobicContact CD2-CB 4.28Å; F43-V98 HydrophobicContact CD2-CG2 3.68Å; F43-V98 HydrophobicContact CE2-CB 4.13Å; F43-V98 HydrophobicContact CE2-CG2 3.92Å; V54-V98 HydrophobicContact CG1-CG2 4.07Å; L58-V98 HydrophobicContact CD1-CG1 4Å; L58-V98 HydrophobicContact CD1-CG2 4.18Å; V66-V98 HydrophobicContact CB-CG1 4.37Å; V66-V98 HydrophobicContact CG1-CG1 3.63Å; V66-V98 HydrophobicContact CG2-CG1 3.88Å; V69-V98 HydrophobicContact CG1-CG2 4.36Å; V69-V98 HydrophobicContact CG2-CG1 4.4Å; V69-V98 HydrophobicContact CG2-CG2 4.32Å; A96-V98 HydrophobicContact CB-CG2 4.43Å |
| 99 | Q | 97 | Very high | 94.9 | Very high | 47 Ų | 47 | 66.1 Ų | 66.1 | 22% | 0.22 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 122.2 | 171.1 | -67.4 | -173.7 | -60.6 | 0 | 0 | 108.7 | D39 G67 V68 | D39-Q99 WeakPolarHBondContact O-CA 3.39Å; G67-Q99 PolarHBondContact N-O 3.21Å; V68-Q99 HydrophobicContact CB-CB 4.42Å; V68-Q99 PolarHBondContact N-O 3.47Å; V68-Q99 PolarHBondContact O-N 3.17Å |
| 100 | L | 96.2 | Very high | 94.7 | Very high | 25 Ų | 25 | 67.8 Ų | 67.8 | 13% | 0.131 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 144.2 | 175.4 | -60.5 | 175.7 | 0 | 0 | 0 | 109.9 | D39 V41 V64 Q104 F106 | D39-L100 PolarHBondContact O-N 3.15Å; V41-L100 HydrophobicContact CG2-CD1 4Å; V41-L100 HydrophobicContact CG2-CD2 4.29Å; V41-L100 HydrophobicContact CG2-CG 4.05Å; V64-L100 HydrophobicContact CG1-CD2 3.59Å; L100-Q104 HydrophobicContact CB-CB 4.21Å; L100-Q104 HydrophobicContact CD1-CB 4.16Å; L100-F106 HydrophobicContact CD1-CB 3.8Å |
| 101 | A | 92.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 66.8 Ų | 66.8 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -83.6 | 174.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | P65 S103 Q104 | P65-A101 HydrophobicContact CB-CB 4.12Å; P65-A101 PolarHBondContact O-N 2.97Å; A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 3.12Å; A101-Q104 PolarHBondContact O-N 2.8Å |
| 102 | Q | 87.6 | Confident | 94.3 | Very high | 151 Ų | 151 | 70 Ų | 70 | 71% | 0.706 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 26.8 | 172.6 | -53.5 | 174.7 | -13.3 | 0 | 0 | 115 | Q104 | Q102-Q104 HydrophobicContact CB-CG 4.44Å; Q102-Q104 PolarHBondContact O-N 3.21Å; Q102-Q104 VanDerWaalsContact O-N 3.11Å |
| 103 | S | 84.5 | Confident | 93.9 | Very high | 120 Ų | 120 | 71.1 Ų | 71.1 | 84% | 0.839 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 28.2 | 179.6 | -53.6 | 0 | 0 | 0 | 0 | 113.9 | A101 | A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 3.12Å |
| 104 | Q | 91.8 | Very high | 93.4 | Very high | 77 Ų | 77 | 76.7 Ų | 76.7 | 36% | 0.36 | 41% | 0.406 | S | S | . | . | trans | -72 | 138.3 | 173.6 | -65.8 | -178.6 | 0.5 | 0 | 0 | 110.2 | L100 A101 Q102 | L100-Q104 HydrophobicContact CB-CB 4.21Å; L100-Q104 HydrophobicContact CD1-CB 4.16Å; A101-Q104 PolarHBondContact O-N 2.8Å; Q102-Q104 HydrophobicContact CB-CG 4.44Å; Q102-Q104 PolarHBondContact O-N 3.21Å; Q102-Q104 VanDerWaalsContact O-N 3.11Å | ||
| 105 | T | 94.4 | Very high | 92.6 | Very high | 108 Ų | 108 | 84.4 Ų | 84.4 | 66% | 0.663 | 44% | 0.44 | S | S | * | . | trans | -106.8 | 140.6 | 175.8 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | P38 | P38-T105 HydrophobicContact CB-CG2 4.04Å; P38-T105 HydrophobicContact CG-CG2 4.34Å; P38-T105 CarbonylContact O-C 3.59Å; P38-T105 WeakPolarHBondContact O-CA 3.22Å | ||
| 106 | F | 94.6 | Very high | 91.5 | Very high | 74 Ų | 74 | 91.3 Ų | 91.3 | 33% | 0.325 | 48% | 0.477 | S | S | . | . | trans | -129.6 | 125.7 | 177 | 176.5 | -93.9 | 0 | 0 | 0 | 111 | L29 P38 V41 L100 F108 | L29-F106 HydrophobicContact CD1-CE1 4.21Å; L29-F106 HydrophobicContact CD1-CZ 3.82Å; L29-F106 HydrophobicContact CD2-CE1 4.45Å; L29-F106 HydrophobicContact CD2-CZ 4.1Å; P38-F106 PolarHBondContact O-N 2.86Å; V41-F106 HydrophobicContact CB-CD1 4.39Å; V41-F106 HydrophobicContact CG1-CD1 4.03Å; V41-F106 HydrophobicContact CG1-CE1 4.02Å; V41-F106 HydrophobicContact CG2-CB 3.8Å; V41-F106 HydrophobicContact CG2-CD1 3.63Å; V41-F106 HydrophobicContact CG2-CE1 4.44Å; V41-F106 HydrophobicContact CG2-CG 3.81Å; L100-F106 HydrophobicContact CD1-CB 3.8Å; F106-F108 HydrophobicContact CE1-CB 4.43Å | ||
| 107 | T | 94.2 | Very high | 89.9 | Confident | 120 Ų | 120 | 102.4 Ų | 102.4 | 74% | 0.736 | 52% | 0.519 | S | S | * | . | trans | -113.5 | 130.4 | 171.2 | 53 | 0 | 0 | 0 | 0 | 109.1 | P109 | T107-P109 WeakPolarHBondContact O-CD 3.34Š| ||
| 108 | F | 94.8 | Very high | 88.3 | Confident | 44 Ų | 44 | 105.3 Ų | 105.3 | 19% | 0.193 | 54% | 0.542 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 120.8 | 178.3 | -169.2 | -76.7 | 0 | 0 | 0 | 109.5 | L29 R31 F106 I111 | L29-F108 HydrophobicContact CD2-CD2 3.47Å; L29-F108 VanDerWaalsContact CD2-CD2 3.47Å; L29-F108 HydrophobicContact CD2-CE2 3.25Å; L29-F108 HydrophobicContact CD2-CZ 4.22Å; L29-F108 HydrophobicContact CG-CE2 4.44Å; R31-F108 HydrophobicContact CB-CD1 4.13Å; R31-F108 HydrophobicContact CB-CD2 3.94Å; R31-F108 HydrophobicContact CB-CE1 4.28Å; R31-F108 HydrophobicContact CB-CE2 4.03Å; R31-F108 HydrophobicContact CB-CG 3.99Å; R31-F108 HydrophobicContact CB-CZ 4.24Å; R31-F108 HydrophobicContact CG-CB 4.47Å; R31-F108 HydrophobicContact CG-CD1 4.37Å; R31-F108 HydrophobicContact CG-CG 4.26Å; F106-F108 HydrophobicContact CE1-CB 4.43Å; F108-I111 HydrophobicContact CE1-CD1 3.69Å; F108-I111 HydrophobicContact CE1-CG1 4.15Å; F108-I111 HydrophobicContact CZ-CD1 3.76Å |
| 109 | P | 93.9 | Very high | 86.4 | Confident | 72 Ų | 72 | 108.7 Ų | 108.7 | 47% | 0.468 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -68.9 | 155.2 | -174.6 | 28.7 | -35.3 | 0 | 0 | 0 | 111.5 | T107 I111 | T107-P109 WeakPolarHBondContact O-CD 3.34Å; P109-I111 PolarHBondContact O-N 3.19Å |
| 110 | D | 92.9 | Very high | 84.9 | Confident | 109 Ų | 109 | 114.4 Ų | 114.4 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 118.3 | 167.6 | -167.2 | 8.2 | 0 | 0 | 0 | 110 | F112 | D110-F112 PolarHBondContact OD1-N 3.08Å; D110-F112 VanDerWaalsContact OD1-N 3.12Å |
| 111 | I | 92.1 | Very high | 83.2 | Confident | 104 Ų | 104 | 122.3 Ų | 122.3 | 53% | 0.533 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -90.9 | -17.8 | -177.2 | -56.2 | 174 | 0 | 0 | 0 | 110.2 | F108 P109 P113 | F108-I111 HydrophobicContact CE1-CD1 3.69Å; F108-I111 HydrophobicContact CE1-CG1 4.15Å; F108-I111 HydrophobicContact CZ-CD1 3.76Å; P109-I111 PolarHBondContact O-N 3.19Å; I111-P113 VanDerWaalsContact C-CD 3.41Å; I111-P113 WeakPolarHBondContact O-CD 3.44Å |
| 112 | F | 91 | Very high | 81.9 | Confident | 176 Ų | 176 | 124.3 Ų | 124.3 | 77% | 0.772 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -125.5 | 66.4 | -177.4 | -60.4 | -77.1 | 0 | 0 | 0 | 110.1 | D110 | D110-F112 PolarHBondContact OD1-N 3.08Å; D110-F112 VanDerWaalsContact OD1-N 3.12Å |
| 113 | P | 88.5 | Confident | 81.3 | Confident | 87 Ų | 87 | 118.7 Ų | 118.7 | 57% | 0.565 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 147 | 174.4 | 28 | -34.7 | 0 | 0 | 0 | 109.8 | I111 K115 | I111-P113 VanDerWaalsContact C-CD 3.41Å; I111-P113 WeakPolarHBondContact O-CD 3.44Å; P113-K115 PolarHBondContact O-N 2.93Å; P113-K115 VanDerWaalsContact O-N 3.15Å |
| 114 | E | 85.8 | Confident | 80.9 | Confident | 192 Ų | 192 | 120.6 Ų | 120.6 | 90% | 0.897 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 120.9 | 171 | -64.7 | -175.2 | 177.5 | 0 | 0 | 108.4 | ||
| 115 | K | 80.8 | Confident | 80.3 | Confident | 188 Ų | 188 | 122.4 Ų | 122.4 | 82% | 0.817 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 135.4 | 177.7 | -64 | -178.4 | -177.8 | 174 | 0 | 108.6 | P113 R117 | P113-K115 PolarHBondContact O-N 2.93Å; P113-K115 VanDerWaalsContact O-N 3.15Å; K115-R117 PolarHBondContact O-N 3.1Å; K115-R117 VanDerWaalsContact O-N 3.1Å |
| 116 | D | 74.1 | Confident | 79.6 | Confident | 146 Ų | 146 | 119.2 Ų | 119.2 | 78% | 0.781 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 117.3 | 164.1 | -62.4 | -36.8 | 0 | 0 | 0 | 107.8 | T118 | D116-T118 PolarHBondContact O-N 2.73Š|
| 117 | R | 64.8 | Low | 79 | Confident | 232 Ų | 232 | 122.2 Ų | 122.2 | 88% | 0.875 | 62% | 0.621 | S | S | * | * | trans | -70.4 | 58.6 | 179.6 | -63 | -178.2 | -177.3 | 176.8 | 0.9 | 110.9 | K115 L119 | K115-R117 PolarHBondContact O-N 3.1Å; K115-R117 VanDerWaalsContact O-N 3.1Å; R117-L119 PolarHBondContact O-N 2.94Å | ||
| 118 | T | 63.8 | Low | 78.6 | Confident | 110 Ų | 110 | 122.5 Ų | 122.5 | 68% | 0.675 | 61% | 0.614 | S | S | * | * | trans | -81.3 | 94.7 | 164.4 | 48.8 | 0 | 0 | 0 | 0 | 106.2 | D116 K120 | D116-T118 PolarHBondContact O-N 2.73Å; T118-K120 PolarHBondContact O-N 3.2Å | ||
| 119 | L | 59.8 | Low | 78.2 | Confident | 72 Ų | 72 | 124.6 Ų | 124.6 | 38% | 0.377 | 62% | 0.624 | S | S | . | * | trans | -53.2 | 108.7 | 173.1 | -67.9 | 165.4 | 0 | 0 | 0 | 107.3 | R117 E121 E125 E129 | R117-L119 PolarHBondContact O-N 2.94Å; L119-E121 PolarHBondContact O-N 3.18Å; L119-E125 HydrophobicContact CD2-CB 3.97Å; L119-E129 VanDerWaalsContact CD1-OE2 3.24Å; L119-E129 WeakPolarHBondContact CD1-OE2 3.24Å | ||
| 120 | K | 64.9 | Low | 77.8 | Confident | 167 Ų | 167 | 126.4 Ų | 126.4 | 73% | 0.726 | 63% | 0.625 | S | S | * | * | trans | -72.9 | 125 | 169.5 | -71.2 | -176 | 178.7 | -178.1 | 0 | 106.8 | T118 G122 S123 | T118-K120 PolarHBondContact O-N 3.2Å; K120-G122 PolarHBondContact O-N 3.22Å; K120-S123 WeakPolarHBondContact O-CB 3.3Å; K120-S123 PolarHBondContact O-N 3.48Å; K120-S123 PolarHBondContact O-OG 2.89Å | ||
| 121 | E | 59.3 | Low | 77.6 | Confident | 191 Ų | 191 | 127.1 Ų | 127.1 | 89% | 0.893 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | 121.9 | 176.6 | -64.6 | 177.7 | 174.2 | 0 | 0 | 109.6 | L119 E126 | L119-E121 PolarHBondContact O-N 3.18Å; E121-E126 VanDerWaalsContact CA-OE2 3.32Å; E121-E126 WeakPolarHBondContact CA-OE2 3.43Å |
| 122 | G | 66.8 | Low | 77.4 | Confident | 71 Ų | 71 | 127.2 Ų | 127.2 | 73% | 0.732 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.7 | 6.3 | -176 | 0 | 0 | 0 | 0 | 0 | 116.1 | K120 E126 | K120-G122 PolarHBondContact O-N 3.22Å; G122-E126 PolarHBondContact N-OE2 2.9Å |
| 123 | S | 75.1 | Confident | 77.3 | Confident | 32 Ų | 32 | 124.4 Ų | 124.4 | 22% | 0.224 | 61% | 0.612 | C | S | . | * | trans | -74.8 | 155.8 | 176.3 | 62 | 0 | 0 | 0 | 0 | 113.1 | K120 E125 E126 M127 | K120-S123 WeakPolarHBondContact O-CB 3.3Å; K120-S123 PolarHBondContact O-N 3.48Å; K120-S123 PolarHBondContact O-OG 2.89Å; S123-E125 PolarHBondContact O-N 3.19Å; S123-E126 PolarHBondContact O-N 3.2Å; S123-M127 PolarHBondContact O-N 3.19Å | ||
| 124 | M | 75.1 | Confident | 77.2 | Confident | 160 Ų | 160 | 123.8 Ų | 123.8 | 79% | 0.788 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -57.4 | -29.7 | 175.1 | -77.1 | -174 | 66.1 | 0 | 0 | 112.5 | M127 Q128 | M124-M127 PolarHBondContact O-N 3.36Å; M124-Q128 VanDerWaalsContact O-CB 3.3Å; M124-Q128 WeakPolarHBondContact O-CB 3.21Å; M124-Q128 PolarHBondContact O-N 2.98Å |
| 125 | E | 79 | Confident | 77.2 | Confident | 116 Ų | 116 | 118.9 Ų | 118.9 | 54% | 0.542 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.7 | -44.7 | 178.5 | -66.1 | 174.6 | -178.8 | 0 | 0 | 110.9 | L119 S123 M127 Q128 E129 | L119-E125 HydrophobicContact CD2-CB 3.97Å; S123-E125 PolarHBondContact O-N 3.19Å; E125-M127 PolarHBondContact O-N 2.84Å; E125-Q128 PolarHBondContact O-N 3.29Å; E125-E129 WeakPolarHBondContact O-CG 3.37Å; E125-E129 PolarHBondContact O-N 3.39Å |
| 126 | E | 80.6 | Confident | 77.5 | Confident | 41 Ų | 41 | 116.7 Ų | 116.7 | 19% | 0.192 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -64.6 | -39.8 | 175 | -169.1 | -166.2 | 160 | 0 | 0 | 111.9 | E121 G122 S123 Q128 E129 K130 | E121-E126 VanDerWaalsContact CA-OE2 3.32Å; E121-E126 WeakPolarHBondContact CA-OE2 3.43Å; G122-E126 PolarHBondContact N-OE2 2.9Å; S123-E126 PolarHBondContact O-N 3.2Å; E126-Q128 VanDerWaalsContact C-N 3.28Å; E126-Q128 PolarHBondContact O-N 3.46Å; E126-E129 PolarHBondContact O-N 3.44Å; E126-K130 WeakPolarHBondContact O-CG 3.25Å; E126-K130 PolarHBondContact O-N 3.45Å; E126-K130 WeakPolarHBondContact OE1-CE 3.3Å; E126-K130 IonicContact OE1-NZ 2.65Å; E126-K130 PolarHBondContact OE1-NZ 3.06Å |
| 127 | M | 82.4 | Confident | 77.8 | Confident | 137 Ų | 137 | 115.9 Ų | 115.9 | 68% | 0.675 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.7 | -37.4 | 175.9 | -170.2 | -179.2 | -65.6 | 0 | 0 | 111.5 | S123 M124 E125 F131 | S123-M127 PolarHBondContact O-N 3.19Å; M124-M127 PolarHBondContact O-N 3.36Å; E125-M127 PolarHBondContact O-N 2.84Å; M127-F131 WeakPolarHBondContact O-CB 3.39Å; M127-F131 PolarHBondContact O-N 3.46Å |
| 128 | Q | 85.1 | Confident | 78.4 | Confident | 125 Ų | 125 | 114.8 Ų | 114.8 | 58% | 0.584 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71.7 | -37.1 | 177.5 | -161.3 | 169.3 | 4.2 | 0 | 0 | 111.7 | M124 E125 E126 F131 M132 | M124-Q128 VanDerWaalsContact O-CB 3.3Å; M124-Q128 WeakPolarHBondContact O-CB 3.21Å; M124-Q128 PolarHBondContact O-N 2.98Å; E125-Q128 PolarHBondContact O-N 3.29Å; E126-Q128 VanDerWaalsContact C-N 3.28Å; E126-Q128 PolarHBondContact O-N 3.46Å; Q128-F131 PolarHBondContact O-N 3.36Å; Q128-M132 WeakPolarHBondContact O-CG 3.39Å; Q128-M132 PolarHBondContact O-N 3.28Å |
| 129 | E | 85.9 | Confident | 78.7 | Confident | 88 Ų | 88 | 116 Ų | 116 | 41% | 0.411 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.6 | -48.3 | 173 | -75.4 | -179.4 | 172 | 0 | 0 | 111.8 | L119 E125 E126 F131 M132 E133 | L119-E129 VanDerWaalsContact CD1-OE2 3.24Å; L119-E129 WeakPolarHBondContact CD1-OE2 3.24Å; E125-E129 WeakPolarHBondContact O-CG 3.37Å; E125-E129 PolarHBondContact O-N 3.39Å; E126-E129 PolarHBondContact O-N 3.44Å; E129-F131 VanDerWaalsContact C-N 3.29Å; E129-F131 PolarHBondContact O-N 3.02Å; E129-M132 PolarHBondContact O-N 3.34Å; E129-M132 VanDerWaalsContact O-N 3.1Å; E129-E133 PolarHBondContact O-N 3.43Å |
| 130 | K | 86.4 | Confident | 79.2 | Confident | 110 Ų | 110 | 119.9 Ų | 119.9 | 48% | 0.478 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -56.6 | -44.1 | 174.2 | -73.4 | 176.6 | -176.6 | 172.2 | 0 | 111.8 | E126 M132 E133 D134 | E126-K130 WeakPolarHBondContact O-CG 3.25Å; E126-K130 PolarHBondContact O-N 3.45Å; E126-K130 WeakPolarHBondContact OE1-CE 3.3Å; E126-K130 IonicContact OE1-NZ 2.65Å; E126-K130 PolarHBondContact OE1-NZ 3.06Å; K130-M132 VanDerWaalsContact C-N 3.35Å; K130-M132 PolarHBondContact O-N 2.95Å; K130-E133 PolarHBondContact O-N 2.98Å; K130-D134 WeakPolarHBondContact O-CB 2.85Å; K130-D134 PolarHBondContact O-N 3.1Å |
| 131 | F | 88.7 | Confident | 79.3 | Confident | 125 Ų | 125 | 117 Ų | 117 | 55% | 0.548 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.7 | -42.3 | 176.3 | -174.2 | -92.6 | 0 | 0 | 0 | 112.2 | M127 Q128 E129 D134 E135 | M127-F131 WeakPolarHBondContact O-CB 3.39Å; M127-F131 PolarHBondContact O-N 3.46Å; Q128-F131 PolarHBondContact O-N 3.36Å; E129-F131 VanDerWaalsContact C-N 3.29Å; E129-F131 PolarHBondContact O-N 3.02Å; F131-D134 PolarHBondContact O-N 2.9Å; F131-E135 HydrophobicContact CD1-CG 4.37Å; F131-E135 HydrophobicContact CE1-CG 3.88Å; F131-E135 HydrophobicContact CZ-CG 4.17Å; F131-E135 PolarHBondContact O-N 3.2Å |
| 132 | M | 87.9 | Confident | 79.9 | Confident | 105 Ų | 105 | 111.2 Ų | 111.2 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.6 | -35.8 | 176.5 | -74 | -148.9 | -63.9 | 0 | 0 | 112.9 | Q128 E129 K130 K136 | Q128-M132 WeakPolarHBondContact O-CG 3.39Å; Q128-M132 PolarHBondContact O-N 3.28Å; E129-M132 PolarHBondContact O-N 3.34Å; E129-M132 VanDerWaalsContact O-N 3.1Å; K130-M132 VanDerWaalsContact C-N 3.35Å; K130-M132 PolarHBondContact O-N 2.95Å; M132-K136 VanDerWaalsContact O-CG 3.3Å; M132-K136 WeakPolarHBondContact O-CG 3.4Å; M132-K136 PolarHBondContact O-N 2.77Å |
| 133 | E | 88.3 | Confident | 80.4 | Confident | 117 Ų | 117 | 113.6 Ų | 113.6 | 55% | 0.547 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 173.6 | -74.3 | -174.7 | 165.5 | 0 | 0 | 111.5 | E129 K130 E135 K136 Q137 | E129-E133 PolarHBondContact O-N 3.43Å; K130-E133 PolarHBondContact O-N 2.98Å; E133-E135 PolarHBondContact O-N 2.97Å; E133-K136 PolarHBondContact O-N 2.65Å; E133-Q137 WeakPolarHBondContact O-CG 3.45Å; E133-Q137 PolarHBondContact O-N 3.21Å |
| 134 | D | 87.7 | Confident | 80.5 | Confident | 75 Ų | 75 | 123.1 Ų | 123.1 | 40% | 0.401 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.6 | -43 | 176.6 | -77.9 | -7.5 | 0 | 0 | 0 | 111.8 | K130 F131 Q137 R138 | K130-D134 WeakPolarHBondContact O-CB 2.85Å; K130-D134 PolarHBondContact O-N 3.1Å; F131-D134 PolarHBondContact O-N 2.9Å; D134-Q137 PolarHBondContact O-N 3.41Å; D134-R138 VanDerWaalsContact O-CG 3.23Å; D134-R138 WeakPolarHBondContact O-CG 3.37Å; D134-R138 PolarHBondContact O-N 3.43Å |
| 135 | E | 85.3 | Confident | 80.4 | Confident | 88 Ų | 88 | 119.9 Ų | 119.9 | 41% | 0.411 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.5 | -43 | 174.3 | -79.3 | -148.1 | 161.7 | 0 | 0 | 112.4 | F131 E133 Q137 R138 Q139 | F131-E135 HydrophobicContact CD1-CG 4.37Å; F131-E135 HydrophobicContact CE1-CG 3.88Å; F131-E135 HydrophobicContact CZ-CG 4.17Å; F131-E135 PolarHBondContact O-N 3.2Å; E133-E135 PolarHBondContact O-N 2.97Å; E135-Q137 VanDerWaalsContact C-N 3.26Å; E135-Q137 PolarHBondContact O-N 2.94Å; E135-R138 PolarHBondContact O-N 2.86Å; E135-Q139 WeakPolarHBondContact O-CB 3.32Å; E135-Q139 VanDerWaalsContact O-CG 3.25Å; E135-Q139 WeakPolarHBondContact O-CG 3.14Å; E135-Q139 PolarHBondContact O-N 2.92Å |
| 136 | K | 85.9 | Confident | 80.3 | Confident | 142 Ų | 142 | 118 Ų | 118 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.4 | -35.9 | 176.4 | -77.4 | 174.5 | -175.8 | 174.8 | 0 | 112.2 | M132 E133 | M132-K136 VanDerWaalsContact O-CG 3.3Å; M132-K136 WeakPolarHBondContact O-CG 3.4Å; M132-K136 PolarHBondContact O-N 2.77Å; E133-K136 PolarHBondContact O-N 2.65Å |
| 137 | Q | 81.3 | Confident | 80 | Confident | 130 Ų | 130 | 119.8 Ų | 119.8 | 61% | 0.607 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.9 | -45.1 | 174.5 | -71.1 | -176.6 | 19.7 | 0 | 0 | 111.3 | E133 D134 E135 Q139 K140 | E133-Q137 WeakPolarHBondContact O-CG 3.45Å; E133-Q137 PolarHBondContact O-N 3.21Å; D134-Q137 PolarHBondContact O-N 3.41Å; E135-Q137 VanDerWaalsContact C-N 3.26Å; E135-Q137 PolarHBondContact O-N 2.94Å; Q137-Q139 VanDerWaalsContact C-N 3.28Å; Q137-Q139 PolarHBondContact O-N 3.37Å; Q137-K140 PolarHBondContact O-N 2.98Å |
| 138 | R | 77.1 | Confident | 79.9 | Confident | 209 Ų | 209 | 118 Ų | 118 | 79% | 0.789 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.2 | -29.3 | 178.5 | -69.8 | 172.1 | -172.8 | -151.7 | 3.1 | 113.5 | D134 E135 K140 | D134-R138 VanDerWaalsContact O-CG 3.23Å; D134-R138 WeakPolarHBondContact O-CG 3.37Å; D134-R138 PolarHBondContact O-N 3.43Å; E135-R138 PolarHBondContact O-N 2.86Å; R138-K140 PolarHBondContact O-N 3.34Å |
| 139 | Q | 70.9 | Confident | 79.6 | Confident | 134 Ų | 134 | 116.2 Ų | 116.2 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 18 | 179.6 | -71.3 | -179.8 | 30.7 | 0 | 0 | 114.1 | E135 Q137 P141 | E135-Q139 WeakPolarHBondContact O-CB 3.32Å; E135-Q139 VanDerWaalsContact O-CG 3.25Å; E135-Q139 WeakPolarHBondContact O-CG 3.14Å; E135-Q139 PolarHBondContact O-N 2.92Å; Q137-Q139 VanDerWaalsContact C-N 3.28Å; Q137-Q139 PolarHBondContact O-N 3.37Å; Q139-P141 WeakPolarHBondContact O-CD 3.23Å |
| 140 | K | 69.4 | Low | 79 | Confident | 154 Ų | 154 | 117.8 Ų | 117.8 | 67% | 0.67 | 60% | 0.599 | S | S | * | * | trans | -95.6 | 82.2 | 170.1 | -71.3 | -179 | -179.8 | 177.2 | 0 | 111 | Q137 R138 | Q137-K140 PolarHBondContact O-N 2.98Å; R138-K140 PolarHBondContact O-N 3.34Å | ||
| 141 | P | 68.2 | Low | 78.7 | Confident | 106 Ų | 106 | 123.3 Ų | 123.3 | 69% | 0.688 | 62% | 0.617 | S | S | * | * | trans | -76.5 | 137.2 | 172.5 | 31.8 | -34.8 | 0 | 0 | 0 | 110.4 | Q139 P143 | Q139-P141 WeakPolarHBondContact O-CD 3.23Å; P141-P143 VanDerWaalsContact O-CD 3.3Å; P141-P143 WeakPolarHBondContact O-CD 3.38Å | ||
| 142 | D | 70.6 | Confident | 78.1 | Confident | 70 Ų | 70 | 124 Ų | 124 | 37% | 0.374 | 62% | 0.621 | S | S | . | * | trans | -81 | 112.5 | 162.1 | -174 | -9.3 | 0 | 0 | 0 | 110.1 | R144 R145 | D142-R144 PolarHBondContact O-N 3.12Å; D142-R144 VanDerWaalsContact O-N 3.12Å; D142-R144 WeakPolarHBondContact OD1-CB 3.3Å; D142-R144 PolarHBondContact OD1-N 3.21Å; D142-R145 HydrophobicContact CB-CB 4.35Å; D142-R145 PolarHBondContact O-N 2.95Å | ||
| 143 | P | 76.9 | Confident | 77.3 | Confident | 121 Ų | 121 | 123.1 Ų | 123.1 | 79% | 0.786 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -62.1 | -20.7 | -179.8 | -21.6 | 34.7 | 0 | 0 | 0 | 113.7 | P141 R145 | P141-P143 VanDerWaalsContact O-CD 3.3Å; P141-P143 WeakPolarHBondContact O-CD 3.38Å; P143-R145 VanDerWaalsContact C-N 3.35Å |
| 144 | R | 78.3 | Confident | 76.2 | Confident | 233 Ų | 233 | 128.5 Ų | 128.5 | 88% | 0.879 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -81.2 | -14.1 | -177.8 | -61.2 | 176.4 | 177.1 | 159.4 | -0.2 | 113.3 | D142 G146 | D142-R144 PolarHBondContact O-N 3.12Å; D142-R144 VanDerWaalsContact O-N 3.12Å; D142-R144 WeakPolarHBondContact OD1-CB 3.3Å; D142-R144 PolarHBondContact OD1-N 3.21Å; R144-G146 VanDerWaalsContact C-N 3.31Å; R144-G146 PolarHBondContact O-N 3.47Å |
| 145 | R | 72.7 | Confident | 75.6 | Confident | 92 Ų | 92 | 131.2 Ų | 131.2 | 35% | 0.347 | 68% | 0.683 | S | S | . | * | G | 310 helix | trans | -80.7 | -5.5 | -177.6 | -105.5 | 172.9 | 170.7 | -107.5 | 5.4 | 114.5 | D142 P143 G147 V148 T149 E150 | D142-R145 HydrophobicContact CB-CB 4.35Å; D142-R145 PolarHBondContact O-N 2.95Å; P143-R145 VanDerWaalsContact C-N 3.35Å; R145-G147 PolarHBondContact O-N 3.1Å; R145-V148 PolarHBondContact NH1-O 3.17Å; R145-V148 WeakPolarHBondContact O-CG2 3.45Å; R145-V148 PolarHBondContact O-N 3.04Å; R145-V148 VanDerWaalsContact O-N 3.1Å; R145-T149 PolarHBondContact NH1-O 2.74Å; R145-E150 VanDerWaalsContact NH1-CA 3.32Å |
| 146 | G | 76.1 | Confident | 75.1 | Confident | 76 Ų | 76 | 133.5 Ų | 133.5 | 78% | 0.784 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.5 | 23.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R144 | R144-G146 VanDerWaalsContact C-N 3.31Å; R144-G146 PolarHBondContact O-N 3.47Å |
| 147 | G | 75.9 | Confident | 74.5 | Confident | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.8 | 6.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116 | R145 | R145-G147 PolarHBondContact O-N 3.1Š|
| 148 | V | 79.2 | Confident | 74.1 | Confident | 100 Ų | 100 | 133.2 Ų | 133.2 | 61% | 0.606 | 71% | 0.707 | S | S | * | * | trans | -78.3 | 132.5 | 175.8 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | R145 | R145-V148 PolarHBondContact NH1-O 3.17Å; R145-V148 WeakPolarHBondContact O-CG2 3.45Å; R145-V148 PolarHBondContact O-N 3.04Å; R145-V148 VanDerWaalsContact O-N 3.1Å | ||
| 149 | T | 79 | Confident | 73.9 | Confident | 86 Ų | 86 | 128.4 Ų | 128.4 | 53% | 0.528 | 70% | 0.702 | S | S | . | * | trans | -66.1 | 142.7 | -173.9 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | R145 W151 | R145-T149 PolarHBondContact NH1-O 2.74Å; T149-W151 VanDerWaalsContact C-N 3.25Å; T149-W151 PolarHBondContact O-N 3.37Å | ||
| 150 | E | 73.3 | Confident | 74.1 | Confident | 122 Ų | 122 | 128.1 Ų | 128.1 | 57% | 0.57 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 0.2 | -178.9 | -71.1 | 179.4 | 180 | 0 | 0 | 114.6 | R145 | R145-E150 VanDerWaalsContact NH1-CA 3.32Š|
| 151 | W | 79.8 | Confident | 74.4 | Confident | 225 Ų | 225 | 126.2 Ų | 126.2 | 85% | 0.852 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -31.8 | -175.6 | -176.9 | -96.6 | 0 | 0 | 0 | 114.3 | T149 | T149-W151 VanDerWaalsContact C-N 3.25Å; T149-W151 PolarHBondContact O-N 3.37Å |
| 152 | F | 77.3 | Confident | 74.9 | Confident | 141 Ų | 141 | 127.8 Ų | 127.8 | 62% | 0.618 | 71% | 0.712 | S | S | * | * | trans | -94.4 | 119.6 | -179.2 | -62 | -80.6 | 0 | 0 | 0 | 110.2 | ||||
| 153 | G | 70.3 | Confident | 75.2 | Confident | 86 Ų | 86 | 132.6 Ų | 132.6 | 89% | 0.887 | 74% | 0.74 | S | S | * | * | trans | -103.9 | 31.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 154 | L | 64 | Low | 75.1 | Confident | 230 Ų | 230 | 133.6 Ų | 133.6 | 100% | 1.204 | 74% | 0.735 | S | S | * | * | trans | -68.8 | 0 | 177 | -102.2 | 151.7 | 0 | 0 | 0 | 112.5 |
Retrieved 154 of 154 residues in 908.6 ms
(Link to these results)