| 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 | 30.7 | Very low | 30.9 | Very low | 238 Ų | 238 | 145.9 Ų | 145.9 | 100% | 1.172 | 77% | 0.768 | S | S | * | * | 0 | 146.6 | 0 | -61.4 | 177.4 | -174 | 0 | 0 | 107.2 | |||||
| 2 | E | 29.2 | Very low | 31.1 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | trans | -68 | 147.7 | 160.5 | -62.1 | 134.2 | 116.1 | 0 | 0 | 109.2 | ||||
| 3 | L | 29.9 | Very low | 31.7 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 85% | 0.848 | 72% | 0.72 | S | S | * | * | trans | -152.3 | 127.6 | 155.3 | -110 | 169.8 | 0 | 0 | 0 | 107 | ||||
| 4 | L | 28.8 | Very low | 32.5 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 88% | 0.88 | 70% | 0.702 | S | S | * | * | trans | -74.2 | 141.2 | -170.1 | -60.1 | 111.4 | 0 | 0 | 0 | 111 | ||||
| 5 | V | 31 | Very low | 33.6 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 82% | 0.824 | 69% | 0.687 | S | S | * | * | trans | -125.1 | 120 | 167.6 | -179.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 6 | E | 27.7 | Very low | 34.4 | Very low | 171 Ų | 171 | 124 Ų | 124 | 80% | 0.799 | 65% | 0.651 | S | S | * | * | trans | -69.7 | 148.1 | 179.7 | -64.1 | -174.5 | 144 | 0 | 0 | 111 | V8 | E6-V8 PolarHBondContact O-N 3.47Š| ||
| 7 | P | 31.2 | Very low | 35.3 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 84% | 0.838 | 64% | 0.64 | S | S | * | * | trans | -71.1 | 116 | -179.6 | 29 | -33.6 | 0 | 0 | 0 | 110.6 | ||||
| 8 | V | 31.2 | Very low | 37.3 | Very low | 123 Ų | 123 | 117.4 Ų | 117.4 | 75% | 0.745 | 62% | 0.616 | S | S | * | * | trans | -72.2 | 140.3 | 164.1 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | E6 E10 | E6-V8 PolarHBondContact O-N 3.47Å; V8-E10 WeakPolarHBondContact O-CG 3.41Å; V8-E10 PolarHBondContact O-N 3.14Å | ||
| 9 | D | 32.1 | Very low | 38.9 | Very low | 154 Ų | 154 | 113.6 Ų | 113.6 | 82% | 0.824 | 60% | 0.598 | S | S | * | * | trans | -64.2 | 106.1 | -173.9 | -88.4 | -56.4 | 0 | 0 | 0 | 114 | Q11 | D9-Q11 PolarHBondContact O-N 3.03Å; D9-Q11 VanDerWaalsContact O-N 3.16Å | ||
| 10 | E | 31.6 | Very low | 41.2 | Very low | 78 Ų | 78 | 113.4 Ų | 113.4 | 36% | 0.364 | 59% | 0.589 | S | S | . | * | trans | -88.6 | 75.6 | -174.4 | -76.3 | -166.9 | 112.5 | 0 | 0 | 112.7 | V8 Q440 C443 Q444 | V8-E10 WeakPolarHBondContact O-CG 3.41Å; V8-E10 PolarHBondContact O-N 3.14Å; E10-Q440 HydrophobicContact CB-CG 4.33Å; E10-Q440 PolarHBondContact OE1-NE2 3.17Å; E10-Q440 WeakPolarHBondContact OE2-CB 3.45Å; E10-Q440 WeakPolarHBondContact OE2-CG 3.49Å; E10-Q440 PolarHBondContact OE2-NE2 3.06Å; E10-C443 CarbonylContact O-C 3.57Å; E10-C443 WeakPolarHBondContact O-CB 3.11Å; E10-Q444 HydrophobicContact CB-CG 3.89Å; E10-Q444 VanDerWaalsContact CB-NE2 3.27Å; E10-Q444 VanDerWaalsContact CG-NE2 3.33Å; E10-Q444 WeakPolarHBondContact O-CG 3.5Å; E10-Q444 PolarHBondContact O-N 2.89Å; E10-Q444 PolarHBondContact OE1-NE2 2.78Å; E10-Q444 VanDerWaalsContact OE1-NE2 3.11Å | ||
| 11 | Q | 36.8 | Very low | 43 | Very low | 61 Ų | 61 | 110.7 Ų | 110.7 | 29% | 0.285 | 58% | 0.575 | S | S | . | * | trans | -124.5 | -11.7 | 178.9 | -86 | -170.5 | 15.1 | 0 | 0 | 117.9 | D9 R107 C443 | D9-Q11 PolarHBondContact O-N 3.03Å; D9-Q11 VanDerWaalsContact O-N 3.16Å; Q11-R107 PolarHBondContact O-NH2 2.87Å; Q11-C443 HydrophobicContact CG-CB 3.63Å | ||
| 12 | D | 33.4 | Very low | 45.6 | Very low | 78 Ų | 78 | 104.8 Ų | 104.8 | 42% | 0.417 | 56% | 0.556 | S | S | . | * | trans | -108.6 | 78.2 | -167.3 | -67.1 | -17.6 | 0 | 0 | 0 | 113.3 | W18 R107 | D12-W18 PolarHBondContact OD1-NE1 2.77Å; D12-W18 PolarHBondContact OD2-NE1 2.8Å; D12-W18 VanDerWaalsContact OD2-NE1 3.14Å; D12-R107 IonicContact OD1-CZ 3.17Å; D12-R107 IonicContact OD1-NE 3.64Å; D12-R107 IonicContact OD1-NH2 2.76Å; D12-R107 PolarHBondContact OD1-NH2 3.19Å | ||
| 13 | L | 38.7 | Very low | 48.2 | Very low | 96 Ų | 96 | 96.6 Ų | 96.6 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | trans | -128.6 | 4.5 | 176.4 | -128.2 | 145.8 | 0 | 0 | 0 | 115.5 | Q444 I446 | L13-Q444 HydrophobicContact CB-CB 4.02Å; L13-Q444 HydrophobicContact CD1-CB 4.21Å; L13-Q444 HydrophobicContact CD1-CG 4.33Å; L13-I446 HydrophobicContact CB-CG2 4.48Å; L13-I446 HydrophobicContact CD1-CG2 3.83Å; L13-I446 HydrophobicContact CD2-CG2 4.08Å; L13-I446 HydrophobicContact CG-CG2 4.35Å | ||
| 14 | D | 43 | Very low | 51 | Low | 86 Ų | 86 | 92.6 Ų | 92.6 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -75.1 | 146.2 | 133.6 | -96.5 | -44.4 | 0 | 0 | 0 | 107.4 | S16 K508 | D14-S16 PolarHBondContact O-N 2.82Å; D14-K508 IonicContact OD1-NZ 2.7Å; D14-K508 PolarHBondContact OD1-NZ 3.29Å |
| 15 | Q | 48.8 | Very low | 53.9 | Low | 104 Ų | 104 | 84.7 Ų | 84.7 | 49% | 0.486 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -74.6 | 75.9 | 176.8 | -70.3 | 172.7 | -1.3 | 0 | 0 | 109.4 | P109 V110 V112 | Q15-P109 CarbonylContact O-C 3.36Å; Q15-P109 WeakPolarHBondContact O-CA 3.27Å; Q15-V110 PolarHBondContact O-N 3.5Å; Q15-V112 HydrophobicContact CG-CG2 4.3Å |
| 16 | S | 46.6 | Very low | 56.7 | Low | 15 Ų | 15 | 82.9 Ų | 82.9 | 11% | 0.105 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 122.6 | 177.9 | 60.5 | 0 | 0 | 0 | 0 | 110.9 | D14 V108 | D14-S16 PolarHBondContact O-N 2.82Å; S16-V108 CarbonylContact C-O 3.49Å; S16-V108 WeakPolarHBondContact CA-O 3.3Å; S16-V108 WeakPolarHBondContact CB-O 3.43Å |
| 17 | T | 49.6 | Very low | 59.7 | Low | 76 Ų | 76 | 78.4 Ų | 78.4 | 47% | 0.466 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 155.3 | 169.3 | 36.9 | 0 | 0 | 0 | 0 | 110.1 | V108 V110 | T17-V108 PolarHBondContact N-O 3.1Å; T17-V108 PolarHBondContact O-N 3.01Å; T17-V110 HydrophobicContact CG2-CG2 3.71Å |
| 18 | W | 70.4 | Confident | 62.3 | Low | 53 Ų | 53 | 76.3 Ų | 76.3 | 20% | 0.201 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 126.9 | 165.9 | -63.6 | 92 | 0 | 0 | 0 | 109.7 | D12 K105 R106 R107 | D12-W18 PolarHBondContact OD1-NE1 2.77Å; D12-W18 PolarHBondContact OD2-NE1 2.8Å; D12-W18 VanDerWaalsContact OD2-NE1 3.14Å; W18-K105 HydrophobicContact CB-CG 4.11Å; W18-K105 HydrophobicContact CD2-CG 4.1Å; W18-K105 HydrophobicContact CE3-CB 4.49Å; W18-K105 HydrophobicContact CE3-CD 4.37Å; W18-K105 HydrophobicContact CE3-CG 3.61Å; W18-K105 HydrophobicContact CG-CG 4.34Å; W18-K105 HydrophobicContact CZ3-CG 4.27Å; W18-R106 CarbonylContact C-O 3.5Å; W18-R106 WeakPolarHBondContact CA-O 3.36Å; W18-R107 HydrophobicContact CD2-CG 3.87Å; W18-R107 HydrophobicContact CE3-CG 3.65Å; W18-R107 HydrophobicContact CH2-CG 3.6Å; W18-R107 HydrophobicContact CZ2-CG 3.75Å; W18-R107 HydrophobicContact CZ3-CG 3.54Å |
| 19 | T | 68.8 | Low | 64.8 | Low | 45 Ų | 45 | 76.4 Ų | 76.4 | 28% | 0.276 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.9 | 170.1 | 60.3 | 0 | 0 | 0 | 0 | 109.4 | R106 V108 | T19-R106 PolarHBondContact N-O 3.13Å; T19-R106 PolarHBondContact O-N 3.35Å; T19-V108 HydrophobicContact CG2-CB 3.96Å; T19-V108 HydrophobicContact CG2-CG2 3.73Å; T19-V108 VanDerWaalsContact OG1-CG2 3.24Å; T19-V108 WeakPolarHBondContact OG1-CG2 3.27Å |
| 20 | Y | 83.8 | Confident | 67.2 | Low | 110 Ų | 110 | 73.3 Ų | 73.3 | 43% | 0.431 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 140.2 | 169.8 | -63.7 | -83.5 | 0 | 0 | 0 | 110.6 | V75 V103 I104 K105 | Y20-V75 HydrophobicContact CE1-CG2 4.26Å; Y20-V103 HydrophobicContact CD1-CG1 4.28Å; Y20-I104 CarbonylContact C-O 3.55Å; Y20-I104 VanDerWaalsContact CA-O 3.25Å; Y20-I104 WeakPolarHBondContact CA-O 3.24Å; Y20-K105 HydrophobicContact CD1-CB 4.02Å; Y20-K105 HydrophobicContact CD1-CG 4.21Å; Y20-K105 HydrophobicContact CE1-CB 3.82Å; Y20-K105 HydrophobicContact CE1-CD 3.66Å; Y20-K105 HydrophobicContact CE1-CG 3.69Å; Y20-K105 VanDerWaalsContact OH-CE 3.28Å; Y20-K105 WeakPolarHBondContact OH-CE 3.19Å; Y20-K105 PolarHBondContact OH-NZ 3Å |
| 21 | L | 80.1 | Confident | 69.6 | Low | 56 Ų | 56 | 74.8 Ų | 74.8 | 29% | 0.293 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 118.1 | -177.3 | -66.3 | 169.8 | 0 | 0 | 0 | 109.5 | V23 I104 R106 | L21-V23 HydrophobicContact CB-CG2 4.44Å; L21-I104 HydrophobicContact CB-CB 4.24Å; L21-I104 PolarHBondContact N-O 3.01Å; L21-I104 WeakPolarHBondContact O-CB 3.47Å; L21-I104 PolarHBondContact O-N 2.98Å; L21-R106 HydrophobicContact CD1-CB 4.05Å |
| 22 | C | 84.1 | Confident | 72.1 | Confident | 114 Ų | 114 | 73.3 Ų | 73.3 | 77% | 0.77 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 123.4 | 171.1 | -64.3 | 0 | 0 | 0 | 0 | 109.7 | L102 | C22-L102 WeakPolarHBondContact CA-O 3.21Å |
| 23 | V | 85.6 | Confident | 74.9 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 9% | 0.085 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 117.3 | -173.1 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | L21 L25 I67 L68 L102 I104 | L21-V23 HydrophobicContact CB-CG2 4.44Å; V23-L25 HydrophobicContact CG1-CD2 3.87Å; V23-L25 HydrophobicContact CG1-CG 4.01Å; V23-I67 HydrophobicContact CB-CG2 4.5Å; V23-I67 HydrophobicContact CG1-CG2 3.54Å; V23-I67 HydrophobicContact CG2-CG2 4.16Å; V23-L68 HydrophobicContact CB-CD2 4.26Å; V23-L68 HydrophobicContact CG1-CD2 3.98Å; V23-L68 HydrophobicContact CG1-CG 4.33Å; V23-L68 HydrophobicContact CG2-CD2 4.03Å; V23-L102 PolarHBondContact N-O 2.8Å; V23-L102 PolarHBondContact O-N 3.45Å; V23-I104 HydrophobicContact CB-CG1 4.42Å; V23-I104 HydrophobicContact CG2-CG1 4.21Å |
| 24 | S | 87.7 | Confident | 77.3 | Confident | 77 Ų | 77 | 65.9 Ų | 65.9 | 54% | 0.538 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.8 | 171.3 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | N101 | S24-N101 WeakPolarHBondContact CB-OD1 3.4Å; S24-N101 PolarHBondContact OG-OD1 2.78Å |
| 25 | L | 90.3 | Very high | 79.7 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142.1 | 173.2 | -57.5 | 178.4 | 0 | 0 | 0 | 110.5 | V23 F33 A64 I67 L68 L100 L102 | V23-L25 HydrophobicContact CG1-CD2 3.87Å; V23-L25 HydrophobicContact CG1-CG 4.01Å; L25-F33 HydrophobicContact CB-CD1 3.72Å; L25-F33 HydrophobicContact CB-CE1 4.43Å; L25-F33 HydrophobicContact CD1-CB 4.25Å; L25-F33 WeakPolarHBondContact O-CE1 3.49Å; L25-A64 HydrophobicContact CD1-CB 3.86Å; L25-A64 HydrophobicContact CD2-CB 4.24Å; L25-I67 HydrophobicContact CD2-CD1 4Å; L25-L68 HydrophobicContact CD1-CD1 3.82Å; L25-L100 PolarHBondContact N-O 2.94Å; L25-L100 PolarHBondContact O-N 3.06Å; L25-L102 HydrophobicContact CD1-CD1 4.3Å |
| 26 | N | 89.3 | Confident | 81.7 | Confident | 98 Ų | 98 | 60.5 Ų | 60.5 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 138.4 | 174.7 | -61.2 | 6 | 0 | 0 | 0 | 109.4 | I28 P63 N99 | N26-I28 PolarHBondContact O-N 2.91Å; N26-P63 WeakPolarHBondContact O-CB 3.43Å; N26-P63 VanDerWaalsContact O-CG 3.26Å; N26-P63 WeakPolarHBondContact O-CG 3.45Å; N26-N99 PolarHBondContact OD1-OD1 2.9Å |
| 27 | K | 90.2 | Very high | 83.8 | Confident | 77 Ų | 77 | 61 Ų | 61 | 34% | 0.335 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 121.8 | -175 | -162.7 | 173.4 | -176.8 | 174.3 | 0 | 110.8 | G32 F33 K95 S97 D98 | K27-G32 WeakPolarHBondContact CA-O 3.19Å; K27-F33 HydrophobicContact CB-CD1 4.3Å; K27-F33 HydrophobicContact CB-CE1 3.72Å; K27-F33 HydrophobicContact CB-CE2 4.12Å; K27-F33 HydrophobicContact CB-CZ 3.63Å; K27-F33 HydrophobicContact CD-CE2 3.91Å; K27-F33 HydrophobicContact CD-CZ 3.94Å; K27-F33 HydrophobicContact CG-CD2 4.46Å; K27-F33 HydrophobicContact CG-CE1 4.45Å; K27-F33 HydrophobicContact CG-CE2 3.97Å; K27-F33 HydrophobicContact CG-CZ 4Å; K27-K95 PolarHBondContact NZ-O 2.95Å; K27-S97 WeakPolarHBondContact CD-O 3.47Å; K27-S97 PolarHBondContact NZ-O 3.37Å; K27-D98 VanDerWaalsContact CB-O 3.23Å; K27-D98 WeakPolarHBondContact CB-O 3.29Å; K27-D98 HydrophobicContact CD-CB 4.44Å; K27-D98 WeakPolarHBondContact CD-OD1 3.31Å; K27-D98 WeakPolarHBondContact CE-OD1 3.33Å; K27-D98 PolarHBondContact N-O 3.22Å; K27-D98 IonicContact NZ-OD1 2.62Å; K27-D98 PolarHBondContact NZ-OD1 3.2Å |
| 28 | I | 87.2 | Confident | 85.6 | Confident | 84 Ų | 84 | 58.6 Ų | 58.6 | 43% | 0.431 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -103.6 | 129.7 | 176.3 | -68.1 | -178 | 0 | 0 | 0 | 109.7 | N26 G30 Y31 G32 P63 | N26-I28 PolarHBondContact O-N 2.91Å; I28-G30 PolarHBondContact O-N 3.23Å; I28-Y31 HydrophobicContact CG2-CD2 4.15Å; I28-Y31 PolarHBondContact O-N 3.29Å; I28-G32 PolarHBondContact N-O 2.79Å; I28-G32 PolarHBondContact O-N 3.11Å; I28-P63 HydrophobicContact CB-CG 4.01Å; I28-P63 HydrophobicContact CD1-CG 3.84Å; I28-P63 HydrophobicContact CG1-CG 3.78Å |
| 29 | P | 83.1 | Confident | 86.3 | Confident | 125 Ų | 125 | 56.1 Ų | 56.1 | 81% | 0.812 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 132.8 | 173.6 | -28.6 | 36.1 | 0 | 0 | 0 | 112.4 | Y31 | P29-Y31 VanDerWaalsContact C-N 3.25Å; P29-Y31 PolarHBondContact O-N 3.15Å |
| 30 | G | 81.6 | Confident | 87.1 | Confident | 89 Ų | 89 | 54 Ų | 54 | 92% | 0.918 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -20.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | I28 | I28-G30 PolarHBondContact O-N 3.23Š|
| 31 | Y | 82.5 | Confident | 87.2 | Confident | 110 Ų | 110 | 57.8 Ų | 57.8 | 43% | 0.431 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -18.5 | 178.8 | -74.3 | -91.9 | 0 | 0 | 0 | 114.2 | I28 P29 F33 G34 | I28-Y31 HydrophobicContact CG2-CD2 4.15Å; I28-Y31 PolarHBondContact O-N 3.29Å; P29-Y31 VanDerWaalsContact C-N 3.25Å; P29-Y31 PolarHBondContact O-N 3.15Å; Y31-F33 PolarHBondContact O-N 2.7Å; Y31-G34 PolarHBondContact O-N 2.98Å |
| 32 | G | 88.7 | Confident | 87.5 | Confident | 30 Ų | 30 | 59.5 Ų | 59.5 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | 59.8 | -131.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | K27 I28 P63 | K27-G32 WeakPolarHBondContact CA-O 3.19Å; I28-G32 PolarHBondContact N-O 2.79Å; I28-G32 PolarHBondContact O-N 3.11Å; G32-P63 WeakPolarHBondContact O-CG 3.3Å |
| 33 | F | 92 | Very high | 87.2 | Confident | 17 Ų | 17 | 58 Ų | 58 | 8% | 0.075 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -4.9 | 171.5 | -65.2 | -75.4 | 0 | 0 | 0 | 113.8 | L25 K27 Y31 I35 A64 M94 S97 D98 L100 | L25-F33 HydrophobicContact CB-CD1 3.72Å; L25-F33 HydrophobicContact CB-CE1 4.43Å; L25-F33 HydrophobicContact CD1-CB 4.25Å; L25-F33 WeakPolarHBondContact O-CE1 3.49Å; K27-F33 HydrophobicContact CB-CD1 4.3Å; K27-F33 HydrophobicContact CB-CE1 3.72Å; K27-F33 HydrophobicContact CB-CE2 4.12Å; K27-F33 HydrophobicContact CB-CZ 3.63Å; K27-F33 HydrophobicContact CD-CE2 3.91Å; K27-F33 HydrophobicContact CD-CZ 3.94Å; K27-F33 HydrophobicContact CG-CD2 4.46Å; K27-F33 HydrophobicContact CG-CE1 4.45Å; K27-F33 HydrophobicContact CG-CE2 3.97Å; K27-F33 HydrophobicContact CG-CZ 4Å; Y31-F33 PolarHBondContact O-N 2.7Å; F33-I35 HydrophobicContact CB-CG1 4.34Å; F33-A64 WeakPolarHBondContact O-CB 3.45Å; F33-A64 PolarHBondContact O-N 2.99Å; F33-A64 VanDerWaalsContact O-N 3.16Å; F33-M94 WeakPolarHBondContact CE2-O 3.31Å; F33-S97 WeakPolarHBondContact CE2-O 3.43Å; F33-S97 VanDerWaalsContact CZ-O 3.31Å; F33-S97 WeakPolarHBondContact CZ-O 3.26Å; F33-D98 WeakPolarHBondContact CE1-O 3.36Å; F33-L100 HydrophobicContact CB-CD2 4.39Å; F33-L100 HydrophobicContact CD1-CB 3.82Å; F33-L100 HydrophobicContact CD1-CD2 4.13Å; F33-L100 HydrophobicContact CD2-CD2 3.91Å; F33-L100 HydrophobicContact CE1-CB 3.41Å; F33-L100 VanDerWaalsContact CE1-CB 3.41Å; F33-L100 HydrophobicContact CE1-CD2 4.4Å; F33-L100 HydrophobicContact CE2-CB 4.24Å; F33-L100 HydrophobicContact CE2-CD2 4.23Å; F33-L100 HydrophobicContact CG-CB 4.36Å; F33-L100 HydrophobicContact CG-CD2 3.86Å; F33-L100 HydrophobicContact CZ-CB 3.64Å; F33-L100 HydrophobicContact CZ-CD2 4.44Å |
| 34 | G | 89.8 | Confident | 86.8 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 75.8 | 17.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y31 V58 L59 | Y31-G34 PolarHBondContact O-N 2.98Å; G34-V58 CarbonylContact O-C 3.4Å; G34-V58 WeakPolarHBondContact O-CA 3.5Å; G34-L59 PolarHBondContact O-N 2.97Å |
| 35 | I | 92.8 | Very high | 85.9 | Confident | 34 Ų | 34 | 58.6 Ų | 58.6 | 17% | 0.174 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 150.3 | 173.3 | 53.8 | 177 | 0 | 0 | 0 | 112.3 | F33 I37 V55 V58 A64 L68 I74 M94 L102 | F33-I35 HydrophobicContact CB-CG1 4.34Å; I35-I37 HydrophobicContact CD1-CG2 4.25Å; I35-V55 HydrophobicContact CG2-CG1 4.29Å; I35-V58 HydrophobicContact CG2-CG2 4.49Å; I35-A64 HydrophobicContact CG2-CB 3.43Å; I35-A64 VanDerWaalsContact CG2-CB 3.43Å; I35-L68 HydrophobicContact CD1-CD1 4.42Å; I35-L68 HydrophobicContact CG2-CD1 3.64Å; I35-I74 HydrophobicContact CD1-CD1 4.46Å; I35-M94 HydrophobicContact CD1-SD 4.24Å; I35-L102 HydrophobicContact CD1-CD1 4.42Å |
| 36 | A | 91 | Very high | 84.4 | Confident | 42 Ų | 42 | 66.6 Ų | 66.6 | 35% | 0.347 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 148.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | S56 D57 | A36-S56 WeakPolarHBondContact CB-OG 3.24Å; A36-S56 PolarHBondContact O-N 3.41Å; A36-S56 PolarHBondContact O-OG 3.43Å; A36-D57 HydrophobicContact CB-CB 4.11Å; A36-D57 PolarHBondContact N-O 2.93Å |
| 37 | I | 91.4 | Very high | 82.7 | Confident | 26 Ų | 26 | 69.7 Ų | 69.7 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 155.8 | 177.8 | 59.9 | 165.7 | 0 | 0 | 0 | 112.1 | I35 I53 T54 S56 I74 A90 I91 M94 | I35-I37 HydrophobicContact CD1-CG2 4.25Å; I37-I53 HydrophobicContact CB-CG2 4.12Å; I37-I53 HydrophobicContact CD1-CG2 3.87Å; I37-I53 HydrophobicContact CG2-CG2 4.26Å; I37-T54 CarbonylContact C-O 3.53Å; I37-T54 WeakPolarHBondContact CA-O 3.34Å; I37-S56 PolarHBondContact N-OG 2.9Å; I37-S56 PolarHBondContact O-OG 3.41Å; I37-I74 HydrophobicContact CG2-CD1 3.77Å; I37-A90 HydrophobicContact CD1-CB 3.98Å; I37-I91 HydrophobicContact CD1-CG1 3.98Å; I37-I91 HydrophobicContact CG1-CG1 4.4Å; I37-M94 HydrophobicContact CD1-CE 4.11Å; I37-M94 HydrophobicContact CD1-SD 3.97Å; I37-M94 HydrophobicContact CG2-CE 4.35Å; I37-M94 HydrophobicContact CG2-SD 4.25Å |
| 38 | S | 87.1 | Confident | 81.5 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 18% | 0.175 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 172 | 171.8 | 62.3 | 0 | 0 | 0 | 0 | 110.3 | T54 | S38-T54 PolarHBondContact N-O 3.02Å; S38-T54 PolarHBondContact O-N 2.91Å; S38-T54 PolarHBondContact O-OG1 3.32Å; S38-T54 VanDerWaalsContact O-OG1 3.07Å; S38-T54 PolarHBondContact OG-OG1 3.14Å; S38-T54 VanDerWaalsContact OG-OG1 3.12Å |
| 39 | G | 86.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | trans | 81.4 | -176.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N43 H87 | G39-N43 CarbonylContact C-O 3.42Å; G39-N43 VanDerWaalsContact C-O 3.3Å; G39-N43 WeakPolarHBondContact CA-O 3.33Å; G39-H87 WeakPolarHBondContact O-CB 3.33Å; G39-H87 PolarHBondContact O-ND1 3.28Å | ||
| 40 | G | 84.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | 126.4 | 150 | -168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | D42 N43 P51 | G40-D42 PolarHBondContact O-N 3.13Å; G40-D42 VanDerWaalsContact O-N 3.14Å; G40-N43 CarbonylContact O-C 3.59Å; G40-N43 VanDerWaalsContact O-C 3.23Å; G40-N43 PolarHBondContact O-N 2.81Å; G40-P51 CarbonylContact C-O 3.49Å; G40-P51 WeakPolarHBondContact CA-O 3.39Å; G40-P51 PolarHBondContact N-O 3.41Å | ||
| 41 | R | 85 | Confident | 80.2 | Confident | 191 Ų | 191 | 60.6 Ų | 60.6 | 72% | 0.721 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.8 | -178.1 | -178.5 | 177 | 173.5 | -173.9 | -1.1 | 114.1 | T84 A85 | R41-T84 WeakPolarHBondContact CD-O 3.5Å; R41-A85 PolarHBondContact N-O 3.22Å |
| 42 | D | 86.3 | Confident | 80.3 | Confident | 91 Ų | 91 | 56.2 Ų | 56.2 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -17.8 | 177 | 59.3 | -33.9 | 0 | 0 | 0 | 114 | G40 T86 H87 | G40-D42 PolarHBondContact O-N 3.13Å; G40-D42 VanDerWaalsContact O-N 3.14Å; D42-T86 HydrophobicContact CB-CG2 4.24Å; D42-T86 VanDerWaalsContact OD1-CA 3.23Å; D42-T86 WeakPolarHBondContact OD1-CA 3.47Å; D42-T86 WeakPolarHBondContact OD1-CB 3.48Å; D42-H87 PolarHBondContact OD1-N 3.38Å |
| 43 | N | 78.2 | Confident | 80.5 | Confident | 83 Ų | 83 | 54.8 Ų | 54.8 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -143.2 | 63 | -173.2 | -172.4 | 28.1 | 0 | 0 | 0 | 111.9 | G39 G40 H87 | G39-N43 CarbonylContact C-O 3.42Å; G39-N43 VanDerWaalsContact C-O 3.3Å; G39-N43 WeakPolarHBondContact CA-O 3.33Å; G40-N43 CarbonylContact O-C 3.59Å; G40-N43 VanDerWaalsContact O-C 3.23Å; G40-N43 PolarHBondContact O-N 2.81Å; N43-H87 HydrophobicContact CB-CB 4.19Å |
| 44 | P | 78.3 | Confident | 80.4 | Confident | 62 Ų | 62 | 54.6 Ų | 54.6 | 40% | 0.403 | 29% | 0.291 | S | S | . | . | trans | -63.2 | 144.1 | -175.9 | 25.6 | -34.9 | 0 | 0 | 0 | 112.4 | F46 D50 | P44-F46 PolarHBondContact O-N 3.02Å; P44-D50 CarbonylContact C-O 3.59Å; P44-D50 WeakPolarHBondContact CA-O 3.28Å | ||
| 45 | H | 68.3 | Low | 80.5 | Confident | 41 Ų | 41 | 54.6 Ų | 54.6 | 19% | 0.19 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -64.1 | 120.9 | -168.9 | 173.9 | -108.5 | 0 | 0 | 0 | 113.1 | K47 S48 G49 D50 | H45-K47 PolarHBondContact O-N 3.14Å; H45-S48 PolarHBondContact ND1-OG 3.14Å; H45-S48 PolarHBondContact O-N 3.02Å; H45-S48 PolarHBondContact O-OG 3.01Å; H45-G49 PolarHBondContact O-N 2.81Å; H45-D50 PolarHBondContact N-O 3.27Å |
| 46 | F | 58.9 | Low | 80.3 | Confident | 172 Ų | 172 | 55.3 Ų | 55.3 | 75% | 0.754 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.2 | -163.4 | 78.5 | -76.6 | 0 | 0 | 0 | 117.6 | P44 | P44-F46 PolarHBondContact O-N 3.02Š|
| 47 | K | 53.8 | Low | 80.2 | Confident | 162 Ų | 162 | 57.4 Ų | 57.4 | 70% | 0.704 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -34.6 | 177 | -68.4 | -175.8 | 177.6 | 174.8 | 0 | 113.8 | H45 | H45-K47 PolarHBondContact O-N 3.14Š|
| 48 | S | 63.5 | Low | 80.2 | Confident | 54 Ų | 54 | 56.5 Ų | 56.5 | 38% | 0.378 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -34.7 | -174.5 | 42.1 | 0 | 0 | 0 | 0 | 112.3 | H45 D50 R442 | H45-S48 PolarHBondContact ND1-OG 3.14Å; H45-S48 PolarHBondContact O-N 3.02Å; H45-S48 PolarHBondContact O-OG 3.01Å; S48-D50 VanDerWaalsContact C-N 3.3Å; S48-D50 WeakPolarHBondContact OG-CB 3.21Å; S48-D50 PolarHBondContact OG-N 3.32Å; S48-R442 PolarHBondContact O-NH2 3.14Å |
| 49 | G | 69.2 | Low | 80.3 | Confident | 44 Ų | 44 | 59 Ų | 59 | 45% | 0.454 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 11.7 | -162.5 | 0 | 0 | 0 | 0 | 0 | 113 | H45 | H45-G49 PolarHBondContact O-N 2.81Š|
| 50 | D | 73.7 | Confident | 80.2 | Confident | 25 Ų | 25 | 66.8 Ų | 66.8 | 13% | 0.134 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -74.9 | 121.7 | -175 | -171.2 | -17.7 | 0 | 0 | 0 | 111 | P44 H45 S48 S52 R73 | P44-D50 CarbonylContact C-O 3.59Å; P44-D50 WeakPolarHBondContact CA-O 3.28Å; H45-D50 PolarHBondContact N-O 3.27Å; S48-D50 VanDerWaalsContact C-N 3.3Å; S48-D50 WeakPolarHBondContact OG-CB 3.21Å; S48-D50 PolarHBondContact OG-N 3.32Å; D50-S52 VanDerWaalsContact C-N 3.35Å; D50-S52 VanDerWaalsContact CG-OG 3.23Å; D50-S52 VanDerWaalsContact OD1-CB 3.31Å; D50-S52 WeakPolarHBondContact OD1-CB 3.35Å; D50-S52 PolarHBondContact OD1-N 3.36Å; D50-S52 PolarHBondContact OD1-OG 3.38Å; D50-S52 PolarHBondContact OD2-OG 2.92Å; D50-R73 IonicContact OD2-CZ 2.92Å; D50-R73 IonicContact OD2-NE 3.65Å; D50-R73 PolarHBondContact OD2-NE 3.3Å; D50-R73 IonicContact OD2-NH2 2.87Å; D50-R73 PolarHBondContact OD2-NH2 3.12Å |
| 51 | P | 82.4 | Confident | 80.2 | Confident | 62 Ų | 62 | 70.3 Ų | 70.3 | 40% | 0.403 | 37% | 0.374 | S | S | . | . | trans | -81.3 | -10.4 | 178 | 34.2 | -35.8 | 0 | 0 | 0 | 113.5 | G40 | G40-P51 CarbonylContact C-O 3.49Å; G40-P51 WeakPolarHBondContact CA-O 3.39Å; G40-P51 PolarHBondContact N-O 3.41Å | ||
| 52 | S | 85.6 | Confident | 80.3 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 12% | 0.119 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -68 | 147.2 | -178.8 | 64.2 | 0 | 0 | 0 | 0 | 112.4 | D50 T54 R73 | D50-S52 VanDerWaalsContact C-N 3.35Å; D50-S52 VanDerWaalsContact CG-OG 3.23Å; D50-S52 VanDerWaalsContact OD1-CB 3.31Å; D50-S52 WeakPolarHBondContact OD1-CB 3.35Å; D50-S52 PolarHBondContact OD1-N 3.36Å; D50-S52 PolarHBondContact OD1-OG 3.38Å; D50-S52 PolarHBondContact OD2-OG 2.92Å; S52-T54 PolarHBondContact O-N 3.03Å; S52-R73 WeakPolarHBondContact OG-CD 3.41Å; S52-R73 PolarHBondContact OG-NE 3.28Å |
| 53 | I | 91.5 | Very high | 80.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -68.3 | 127.3 | 174.1 | -56.6 | -61.3 | 0 | 0 | 0 | 108.7 | I37 R73 I74 L82 A90 M94 | I37-I53 HydrophobicContact CB-CG2 4.12Å; I37-I53 HydrophobicContact CD1-CG2 3.87Å; I37-I53 HydrophobicContact CG2-CG2 4.26Å; I53-R73 CarbonylContact O-C 3.59Å; I53-R73 WeakPolarHBondContact O-CA 3.47Å; I53-I74 HydrophobicContact CB-CB 4.41Å; I53-I74 HydrophobicContact CG2-CB 4.2Å; I53-I74 HydrophobicContact CG2-CD1 4.15Å; I53-I74 HydrophobicContact CG2-CG1 4.38Å; I53-I74 PolarHBondContact O-N 3.09Å; I53-L82 HydrophobicContact CB-CB 4.48Å; I53-L82 HydrophobicContact CG1-CB 4.03Å; I53-A90 HydrophobicContact CD1-CB 3.57Å; I53-A90 HydrophobicContact CG1-CB 3.79Å; I53-A90 HydrophobicContact CG2-CB 4.33Å; I53-M94 HydrophobicContact CG2-CE 4.5Å | ||
| 54 | T | 90.7 | Very high | 80.9 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 8% | 0.08 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 145.6 | -174.6 | 45 | 0 | 0 | 0 | 0 | 111.6 | I37 S38 S52 S56 D72 R73 | I37-T54 CarbonylContact C-O 3.53Å; I37-T54 WeakPolarHBondContact CA-O 3.34Å; S38-T54 PolarHBondContact N-O 3.02Å; S38-T54 PolarHBondContact O-N 2.91Å; S38-T54 PolarHBondContact O-OG1 3.32Å; S38-T54 VanDerWaalsContact O-OG1 3.07Å; S38-T54 PolarHBondContact OG-OG1 3.14Å; S38-T54 VanDerWaalsContact OG-OG1 3.12Å; S52-T54 PolarHBondContact O-N 3.03Å; T54-S56 PolarHBondContact O-N 3.48Å; T54-D72 CarbonylContact C-O 3.59Å; T54-D72 WeakPolarHBondContact CA-O 3.16Å; T54-R73 HydrophobicContact CG2-CG 3.75Å |
| 55 | V | 90.8 | Very high | 81.4 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 116.5 | 172.7 | 178.4 | 0 | 0 | 0 | 0 | 109.2 | I35 V58 L68 Q69 N71 D72 I74 | I35-V55 HydrophobicContact CG2-CG1 4.29Å; V55-V58 HydrophobicContact CG1-CG2 3.58Å; V55-L68 HydrophobicContact CG2-CD1 4.4Å; V55-Q69 WeakPolarHBondContact CB-O 3.44Å; V55-N71 PolarHBondContact O-N 3.36Å; V55-D72 HydrophobicContact CB-CB 4.16Å; V55-D72 HydrophobicContact CG2-CB 3.87Å; V55-D72 PolarHBondContact N-O 3.14Å; V55-I74 HydrophobicContact CG2-CD1 3.97Å; V55-I74 HydrophobicContact CG2-CG1 4.13Å |
| 56 | S | 89.4 | Confident | 82.1 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -29.4 | -176.1 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | A36 I37 T54 V70 | A36-S56 WeakPolarHBondContact CB-OG 3.24Å; A36-S56 PolarHBondContact O-N 3.41Å; A36-S56 PolarHBondContact O-OG 3.43Å; I37-S56 PolarHBondContact N-OG 2.9Å; I37-S56 PolarHBondContact O-OG 3.41Å; T54-S56 PolarHBondContact O-N 3.48Å; S56-V70 WeakPolarHBondContact O-CG1 3.34Å |
| 57 | D | 89.2 | Confident | 83.5 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 158.6 | 170.6 | -167 | 18.3 | 0 | 0 | 0 | 110.6 | A36 | A36-D57 HydrophobicContact CB-CB 4.11Å; A36-D57 PolarHBondContact N-O 2.93Å |
| 58 | V | 90.4 | Very high | 85.3 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 112.3 | 177.2 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | G34 I35 V55 K60 A64 W65 L68 V70 | G34-V58 CarbonylContact O-C 3.4Å; G34-V58 WeakPolarHBondContact O-CA 3.5Å; I35-V58 HydrophobicContact CG2-CG2 4.49Å; V55-V58 HydrophobicContact CG1-CG2 3.58Å; V58-K60 PolarHBondContact O-N 3.33Å; V58-A64 HydrophobicContact CG1-CB 3.92Å; V58-W65 HydrophobicContact CG1-CB 4.5Å; V58-W65 HydrophobicContact CG1-CE3 4.22Å; V58-L68 HydrophobicContact CG2-CB 4.46Å; V58-V70 HydrophobicContact CG2-CG2 4.5Å |
| 59 | L | 89.7 | Confident | 86.4 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 41% | 0.408 | 30% | 0.296 | S | S | . | . | trans | -64.2 | 124.6 | -174.7 | -63.9 | -176.8 | 0 | 0 | 0 | 111.1 | G34 A61 G62 | G34-L59 PolarHBondContact O-N 2.97Å; L59-A61 PolarHBondContact O-N 3.06Å; L59-G62 PolarHBondContact O-N 3.32Å | ||
| 60 | K | 85.1 | Confident | 87.2 | Confident | 164 Ų | 164 | 51.6 Ų | 51.6 | 71% | 0.713 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 126.9 | 175.5 | -72.4 | 173.3 | -178.9 | 172.9 | 0 | 110.7 | V58 G62 W65 | V58-K60 PolarHBondContact O-N 3.33Å; K60-G62 PolarHBondContact O-N 2.89Å; K60-W65 HydrophobicContact CB-CE3 4.38Å; K60-W65 HydrophobicContact CD-CH2 4.45Å; K60-W65 HydrophobicContact CG-CD2 4.32Å; K60-W65 HydrophobicContact CG-CE3 3.86Å; K60-W65 HydrophobicContact CG-CH2 3.71Å; K60-W65 HydrophobicContact CG-CZ2 4.15Å; K60-W65 HydrophobicContact CG-CZ3 3.54Å |
| 61 | A | 84.8 | Confident | 87.8 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 61% | 0.612 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 10 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | L59 | L59-A61 PolarHBondContact O-N 3.06Š|
| 62 | G | 86.2 | Confident | 88.2 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -78.9 | 167.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L59 K60 A64 W65 | L59-G62 PolarHBondContact O-N 3.32Å; K60-G62 PolarHBondContact O-N 2.89Å; G62-A64 VanDerWaalsContact C-N 3.29Å; G62-A64 PolarHBondContact O-N 3.28Å; G62-A64 VanDerWaalsContact O-N 3.16Å; G62-W65 VanDerWaalsContact O-CB 3.25Å; G62-W65 WeakPolarHBondContact O-CB 3.44Å; G62-W65 PolarHBondContact O-N 3.31Å |
| 63 | P | 87.9 | Confident | 88.4 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -37.9 | -174 | -28.1 | 33.2 | 0 | 0 | 0 | 115.6 | N26 I28 G32 W65 I67 | N26-P63 WeakPolarHBondContact O-CB 3.43Å; N26-P63 VanDerWaalsContact O-CG 3.26Å; N26-P63 WeakPolarHBondContact O-CG 3.45Å; I28-P63 HydrophobicContact CB-CG 4.01Å; I28-P63 HydrophobicContact CD1-CG 3.84Å; I28-P63 HydrophobicContact CG1-CG 3.78Å; G32-P63 WeakPolarHBondContact O-CG 3.3Å; P63-W65 VanDerWaalsContact C-N 3.31Å; P63-W65 PolarHBondContact O-N 3.03Å; P63-I67 WeakPolarHBondContact O-CD1 3.14Å |
| 64 | A | 89.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -9.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L25 F33 I35 V58 G62 G66 I67 L68 | L25-A64 HydrophobicContact CD1-CB 3.86Å; L25-A64 HydrophobicContact CD2-CB 4.24Å; F33-A64 WeakPolarHBondContact O-CB 3.45Å; F33-A64 PolarHBondContact O-N 2.99Å; F33-A64 VanDerWaalsContact O-N 3.16Å; I35-A64 HydrophobicContact CG2-CB 3.43Å; I35-A64 VanDerWaalsContact CG2-CB 3.43Å; V58-A64 HydrophobicContact CG1-CB 3.92Å; G62-A64 VanDerWaalsContact C-N 3.29Å; G62-A64 PolarHBondContact O-N 3.28Å; G62-A64 VanDerWaalsContact O-N 3.16Å; A64-G66 PolarHBondContact O-N 3.27Å; A64-G66 VanDerWaalsContact O-N 3.16Å; A64-I67 PolarHBondContact O-N 3.11Å; A64-L68 HydrophobicContact CB-CB 4.26Å; A64-L68 HydrophobicContact CB-CD1 4.08Å; A64-L68 HydrophobicContact CB-CG 4.29Å; A64-L68 PolarHBondContact O-N 3.13Å |
| 65 | W | 88.7 | Confident | 88.4 | Confident | 141 Ų | 141 | 54.4 Ų | 54.4 | 53% | 0.534 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -63.7 | 115.9 | -173.2 | 179.8 | -99.2 | 0 | 0 | 0 | 112.1 | V58 K60 G62 P63 I67 | V58-W65 HydrophobicContact CG1-CB 4.5Å; V58-W65 HydrophobicContact CG1-CE3 4.22Å; K60-W65 HydrophobicContact CB-CE3 4.38Å; K60-W65 HydrophobicContact CD-CH2 4.45Å; K60-W65 HydrophobicContact CG-CD2 4.32Å; K60-W65 HydrophobicContact CG-CE3 3.86Å; K60-W65 HydrophobicContact CG-CH2 3.71Å; K60-W65 HydrophobicContact CG-CZ2 4.15Å; K60-W65 HydrophobicContact CG-CZ3 3.54Å; G62-W65 VanDerWaalsContact O-CB 3.25Å; G62-W65 WeakPolarHBondContact O-CB 3.44Å; G62-W65 PolarHBondContact O-N 3.31Å; P63-W65 VanDerWaalsContact C-N 3.31Å; P63-W65 PolarHBondContact O-N 3.03Å; W65-I67 VanDerWaalsContact C-N 3.3Å |
| 66 | G | 84 | Confident | 88.5 | Confident | 73 Ų | 73 | 58.8 Ų | 58.8 | 75% | 0.753 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | -3.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A64 | A64-G66 PolarHBondContact O-N 3.27Å; A64-G66 VanDerWaalsContact O-N 3.16Å |
| 67 | I | 87.8 | Confident | 88.6 | Confident | 80 Ų | 80 | 56.4 Ų | 56.4 | 41% | 0.41 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -51.1 | 174.7 | -47.1 | -178.4 | 0 | 0 | 0 | 109.8 | V23 L25 P63 A64 W65 R106 | V23-I67 HydrophobicContact CB-CG2 4.5Å; V23-I67 HydrophobicContact CG1-CG2 3.54Å; V23-I67 HydrophobicContact CG2-CG2 4.16Å; L25-I67 HydrophobicContact CD2-CD1 4Å; P63-I67 WeakPolarHBondContact O-CD1 3.14Å; A64-I67 PolarHBondContact O-N 3.11Å; W65-I67 VanDerWaalsContact C-N 3.3Å; I67-R106 PolarHBondContact O-NH2 3.46Å |
| 68 | L | 91 | Very high | 88.6 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -99.2 | 157.9 | 174.4 | -61.2 | -179.2 | 0 | 0 | 0 | 111.6 | V23 L25 I35 V55 V58 A64 D72 L102 I104 | V23-L68 HydrophobicContact CB-CD2 4.26Å; V23-L68 HydrophobicContact CG1-CD2 3.98Å; V23-L68 HydrophobicContact CG1-CG 4.33Å; V23-L68 HydrophobicContact CG2-CD2 4.03Å; L25-L68 HydrophobicContact CD1-CD1 3.82Å; I35-L68 HydrophobicContact CD1-CD1 4.42Å; I35-L68 HydrophobicContact CG2-CD1 3.64Å; V55-L68 HydrophobicContact CG2-CD1 4.4Å; V58-L68 HydrophobicContact CG2-CB 4.46Å; A64-L68 HydrophobicContact CB-CB 4.26Å; A64-L68 HydrophobicContact CB-CD1 4.08Å; A64-L68 HydrophobicContact CB-CG 4.29Å; A64-L68 PolarHBondContact O-N 3.13Å; L68-D72 WeakPolarHBondContact CA-OD2 3.24Å; L68-L102 HydrophobicContact CD1-CD1 3.98Å; L68-I104 HydrophobicContact CD2-CD1 3.81Å; L68-I104 HydrophobicContact CD2-CG1 3.66Å |
| 69 | Q | 88.2 | Confident | 88.2 | Confident | 109 Ų | 109 | 61.7 Ų | 61.7 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | trans | -129.7 | 151.8 | -178.5 | -62 | -176.9 | 10.2 | 0 | 0 | 110.2 | V55 D72 | V55-Q69 WeakPolarHBondContact CB-O 3.44Å; Q69-D72 PolarHBondContact N-OD2 3.47Å; Q69-D72 VanDerWaalsContact O-CB 3.26Å; Q69-D72 WeakPolarHBondContact O-CB 3.35Å; Q69-D72 VanDerWaalsContact O-CG 3.28Å; Q69-D72 PolarHBondContact O-N 3.39Å; Q69-D72 VanDerWaalsContact O-N 3.14Å | ||
| 70 | V | 85.9 | Confident | 88.1 | Confident | 69 Ų | 69 | 61.1 Ų | 61.1 | 42% | 0.418 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 137.9 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | S56 V58 | S56-V70 WeakPolarHBondContact O-CG1 3.34Å; V58-V70 HydrophobicContact CG2-CG2 4.5Å |
| 71 | N | 86 | Confident | 88.3 | Confident | 120 Ų | 120 | 55.6 Ų | 55.6 | 64% | 0.642 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 9.3 | -169.2 | -38.6 | -86.4 | 0 | 0 | 0 | 116.1 | V55 R73 | V55-N71 PolarHBondContact O-N 3.36Å; N71-R73 PolarHBondContact O-N 2.7Å |
| 72 | D | 90.3 | Very high | 88.5 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | trans | -60.6 | 124.7 | 162.4 | -83.3 | -17.3 | 0 | 0 | 0 | 109.9 | T54 V55 L68 Q69 I104 R106 | T54-D72 CarbonylContact C-O 3.59Å; T54-D72 WeakPolarHBondContact CA-O 3.16Å; V55-D72 HydrophobicContact CB-CB 4.16Å; V55-D72 HydrophobicContact CG2-CB 3.87Å; V55-D72 PolarHBondContact N-O 3.14Å; L68-D72 WeakPolarHBondContact CA-OD2 3.24Å; Q69-D72 PolarHBondContact N-OD2 3.47Å; Q69-D72 VanDerWaalsContact O-CB 3.26Å; Q69-D72 WeakPolarHBondContact O-CB 3.35Å; Q69-D72 VanDerWaalsContact O-CG 3.28Å; Q69-D72 PolarHBondContact O-N 3.39Å; Q69-D72 VanDerWaalsContact O-N 3.14Å; D72-I104 HydrophobicContact CB-CG2 3.62Å; D72-R106 WeakPolarHBondContact OD1-CB 3.5Å; D72-R106 WeakPolarHBondContact OD1-CG 3.38Å; D72-R106 IonicContact OD1-CZ 2.97Å; D72-R106 IonicContact OD1-NE 3.18Å; D72-R106 PolarHBondContact OD1-NE 3.25Å; D72-R106 IonicContact OD1-NH2 2.72Å; D72-R106 IonicContact OD2-CZ 3.22Å; D72-R106 IonicContact OD2-NE 2.7Å; D72-R106 IonicContact OD2-NH2 3.7Å; D72-R106 PolarHBondContact OD2-NH2 2.94Å | ||
| 73 | R | 89.6 | Confident | 88.2 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 16% | 0.162 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.8 | 170.9 | -74.9 | 179.3 | 174.8 | 155.2 | -2.4 | 109.5 | D50 S52 I53 T54 N71 I104 K105 | D50-R73 IonicContact OD2-CZ 2.92Å; D50-R73 IonicContact OD2-NE 3.65Å; D50-R73 PolarHBondContact OD2-NE 3.3Å; D50-R73 IonicContact OD2-NH2 2.87Å; D50-R73 PolarHBondContact OD2-NH2 3.12Å; S52-R73 WeakPolarHBondContact OG-CD 3.41Å; S52-R73 PolarHBondContact OG-NE 3.28Å; I53-R73 CarbonylContact O-C 3.59Å; I53-R73 WeakPolarHBondContact O-CA 3.47Å; T54-R73 HydrophobicContact CG2-CG 3.75Å; N71-R73 PolarHBondContact O-N 2.7Å; R73-I104 CarbonylContact O-C 3.56Å; R73-I104 WeakPolarHBondContact O-CA 3.46Å; R73-K105 HydrophobicContact CB-CB 4.23Å; R73-K105 PolarHBondContact N-O 3.37Å; R73-K105 PolarHBondContact O-N 2.95Å |
| 74 | I | 92.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 111.3 | 178.3 | -46.8 | -177.7 | 0 | 0 | 0 | 108.5 | I35 I37 I53 V55 L82 M94 L102 I104 | I35-I74 HydrophobicContact CD1-CD1 4.46Å; I37-I74 HydrophobicContact CG2-CD1 3.77Å; I53-I74 HydrophobicContact CB-CB 4.41Å; I53-I74 HydrophobicContact CG2-CB 4.2Å; I53-I74 HydrophobicContact CG2-CD1 4.15Å; I53-I74 HydrophobicContact CG2-CG1 4.38Å; I53-I74 PolarHBondContact O-N 3.09Å; V55-I74 HydrophobicContact CG2-CD1 3.97Å; V55-I74 HydrophobicContact CG2-CG1 4.13Å; I74-L82 HydrophobicContact CB-CD1 4.48Å; I74-L82 HydrophobicContact CG2-CD1 3.88Å; I74-M94 HydrophobicContact CD1-CE 3.79Å; I74-M94 HydrophobicContact CG2-CE 4.44Å; I74-L102 HydrophobicContact CD1-CD1 4.48Å; I74-L102 HydrophobicContact CG2-CB 4.46Å; I74-L102 HydrophobicContact CG2-CD2 3.88Å; I74-I104 HydrophobicContact CB-CD1 4.29Å; I74-I104 HydrophobicContact CG1-CD1 3.83Å; I74-I104 HydrophobicContact CG2-CD1 4.2Å |
| 75 | V | 90.4 | Very high | 87.7 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -42.9 | -173.9 | -169.5 | 0 | 0 | 0 | 0 | 111 | Y20 L82 E83 V103 K105 | Y20-V75 HydrophobicContact CE1-CG2 4.26Å; V75-L82 PolarHBondContact O-N 3.48Å; V75-E83 HydrophobicContact CG1-CG 3.78Å; V75-V103 HydrophobicContact CB-CG1 4.4Å; V75-V103 PolarHBondContact N-O 3.43Å; V75-K105 HydrophobicContact CG2-CB 3.61Å; V75-K105 HydrophobicContact CG2-CD 4.49Å |
| 76 | Y | 92.7 | Very high | 87.7 | Confident | 93 Ų | 93 | 55.5 Ų | 55.5 | 37% | 0.365 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 150.7 | 174.7 | -69.7 | -102.1 | 0 | 0 | 0 | 111 | V80 N81 L102 V103 | Y76-V80 CarbonylContact C-O 3.56Å; Y76-V80 VanDerWaalsContact CA-O 3.22Å; Y76-V80 WeakPolarHBondContact CA-O 3.21Å; Y76-N81 HydrophobicContact CD1-CB 4.01Å; Y76-N81 HydrophobicContact CE1-CB 3.61Å; Y76-N81 PolarHBondContact OH-ND2 3.26Å; Y76-L102 WeakPolarHBondContact O-CA 3.46Å; Y76-V103 HydrophobicContact CD2-CB 4.2Å; Y76-V103 HydrophobicContact CD2-CG2 4.41Å; Y76-V103 PolarHBondContact N-O 3.18Å; Y76-V103 PolarHBondContact O-N 2.83Å |
| 77 | A | 91.7 | Very high | 88 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 121.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110 | N79 V80 L82 I93 L100 N101 L102 | A77-N79 VanDerWaalsContact C-N 3.28Å; A77-N79 PolarHBondContact O-N 2.87Å; A77-V80 PolarHBondContact N-O 3Å; A77-V80 WeakPolarHBondContact O-CB 3.21Å; A77-V80 PolarHBondContact O-N 3.32Å; A77-L82 HydrophobicContact CB-CD1 3.68Å; A77-L82 HydrophobicContact CB-CG 4.24Å; A77-I93 HydrophobicContact CB-CG2 4.01Å; A77-L100 HydrophobicContact CB-CD1 4.11Å; A77-N101 CarbonylContact C-O 3.11Å; A77-N101 WeakPolarHBondContact CA-O 3.43Å; A77-L102 HydrophobicContact CB-CD2 3.57Å |
| 78 | N | 90 | Very high | 88.2 | Confident | 47 Ų | 47 | 53 Ų | 53 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 51.6 | -176.7 | -77 | -21.6 | 0 | 0 | 0 | 112.8 | V80 S97 N99 N101 | N78-V80 PolarHBondContact O-N 3.05Å; N78-S97 WeakPolarHBondContact ND2-CB 3.43Å; N78-S97 PolarHBondContact ND2-OG 3.43Å; N78-N99 PolarHBondContact ND2-O 2.92Å; N78-N101 PolarHBondContact N-O 2.69Å; N78-N101 WeakPolarHBondContact OD1-CB 3.35Å; N78-N101 PolarHBondContact OD1-N 2.87Å; N78-N101 PolarHBondContact OD1-ND2 2.98Å; N78-N101 VanDerWaalsContact OD1-ND2 3.11Å |
| 79 | N | 81.6 | Confident | 88.2 | Confident | 156 Ų | 156 | 57.9 Ų | 57.9 | 83% | 0.834 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 1 | -177.8 | -53.7 | -15.8 | 0 | 0 | 0 | 116.3 | A77 | A77-N79 VanDerWaalsContact C-N 3.28Å; A77-N79 PolarHBondContact O-N 2.87Å |
| 80 | V | 87.6 | Confident | 88.3 | Confident | 67 Ų | 67 | 52.7 Ų | 52.7 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 126.7 | 171 | -168.9 | 0 | 0 | 0 | 0 | 109.7 | Y76 A77 N78 I93 | Y76-V80 CarbonylContact C-O 3.56Å; Y76-V80 VanDerWaalsContact CA-O 3.22Å; Y76-V80 WeakPolarHBondContact CA-O 3.21Å; A77-V80 PolarHBondContact N-O 3Å; A77-V80 WeakPolarHBondContact O-CB 3.21Å; A77-V80 PolarHBondContact O-N 3.32Å; N78-V80 PolarHBondContact O-N 3.05Å; V80-I93 HydrophobicContact CB-CD1 4.09Å; V80-I93 HydrophobicContact CG1-CD1 3.71Å; V80-I93 HydrophobicContact CG2-CD1 4.45Å |
| 81 | N | 88.6 | Confident | 88.6 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 134.3 | 173.2 | -178.8 | -61.4 | 0 | 0 | 0 | 109.8 | Y76 E83 | Y76-N81 HydrophobicContact CD1-CB 4.01Å; Y76-N81 HydrophobicContact CE1-CB 3.61Å; Y76-N81 PolarHBondContact OH-ND2 3.26Å; N81-E83 PolarHBondContact ND2-OE2 3.13Å; N81-E83 WeakPolarHBondContact OD1-CB 3.42Å; N81-E83 PolarHBondContact OD1-N 2.87Å |
| 82 | L | 89.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -111.3 | -3.6 | -178.7 | -67.3 | -171.9 | 0 | 0 | 0 | 114.2 | I53 I74 V75 A77 T84 A85 A90 I93 M94 | I53-L82 HydrophobicContact CB-CB 4.48Å; I53-L82 HydrophobicContact CG1-CB 4.03Å; I74-L82 HydrophobicContact CB-CD1 4.48Å; I74-L82 HydrophobicContact CG2-CD1 3.88Å; V75-L82 PolarHBondContact O-N 3.48Å; A77-L82 HydrophobicContact CB-CD1 3.68Å; A77-L82 HydrophobicContact CB-CG 4.24Å; L82-T84 PolarHBondContact O-N 3.49Å; L82-A85 HydrophobicContact CD2-CB 3.99Å; L82-A85 PolarHBondContact O-N 3.04Å; L82-A90 HydrophobicContact CD1-CB 4.35Å; L82-A90 HydrophobicContact CD2-CB 4.13Å; L82-I93 HydrophobicContact CD2-CD1 3.71Å; L82-M94 HydrophobicContact CD1-CE 3.86Å | ||
| 83 | E | 79.9 | Confident | 88.9 | Confident | 91 Ų | 91 | 52.2 Ų | 52.2 | 43% | 0.425 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -28.7 | -177 | -60.2 | 178.6 | 117.6 | 0 | 0 | 112.9 | V75 N81 | V75-E83 HydrophobicContact CG1-CG 3.78Å; N81-E83 PolarHBondContact ND2-OE2 3.13Å; N81-E83 WeakPolarHBondContact OD1-CB 3.42Å; N81-E83 PolarHBondContact OD1-N 2.87Å |
| 84 | T | 80.6 | Confident | 88.9 | Confident | 102 Ų | 102 | 51 Ų | 51 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | 1.2 | 178.8 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | R41 L82 | R41-T84 WeakPolarHBondContact CD-O 3.5Å; L82-T84 PolarHBondContact O-N 3.49Å |
| 85 | A | 84.7 | Confident | 88.8 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 7% | 0.066 | 30% | 0.299 | C | S | . | . | trans | -73.4 | 156.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R41 L82 Q89 | R41-A85 PolarHBondContact N-O 3.22Å; L82-A85 HydrophobicContact CD2-CB 3.99Å; L82-A85 PolarHBondContact O-N 3.04Å; A85-Q89 HydrophobicContact CB-CB 4.35Å | ||
| 86 | T | 90.4 | Very high | 88.8 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | trans | -76.8 | 155.7 | 164.8 | 65.1 | 0 | 0 | 0 | 0 | 111.2 | D42 A88 Q89 A90 | D42-T86 HydrophobicContact CB-CG2 4.24Å; D42-T86 VanDerWaalsContact OD1-CA 3.23Å; D42-T86 WeakPolarHBondContact OD1-CA 3.47Å; D42-T86 WeakPolarHBondContact OD1-CB 3.48Å; T86-A88 PolarHBondContact O-N 3.34Å; T86-Q89 PolarHBondContact O-N 3.42Å; T86-Q89 VanDerWaalsContact O-N 3.09Å; T86-Q89 WeakPolarHBondContact OG1-CB 3.45Å; T86-Q89 VanDerWaalsContact OG1-CG 3.26Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.45Å; T86-Q89 PolarHBondContact OG1-N 3.12Å; T86-Q89 VanDerWaalsContact OG1-N 3.17Å; T86-Q89 PolarHBondContact OG1-OE1 2.94Å; T86-A90 PolarHBondContact O-N 3.3Å | ||
| 87 | H | 89.7 | Confident | 88.5 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 19% | 0.185 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.7 | -40 | 173.6 | -169.9 | 71.5 | 0 | 0 | 0 | 111.2 | G39 D42 N43 I91 | G39-H87 WeakPolarHBondContact O-CB 3.33Å; G39-H87 PolarHBondContact O-ND1 3.28Å; D42-H87 PolarHBondContact OD1-N 3.38Å; N43-H87 HydrophobicContact CB-CB 4.19Å; H87-I91 WeakPolarHBondContact O-CB 3.48Å; H87-I91 VanDerWaalsContact O-CG1 3.31Å; H87-I91 WeakPolarHBondContact O-CG1 3.38Å; H87-I91 PolarHBondContact O-N 2.76Å |
| 88 | A | 91.1 | Very high | 88.3 | Confident | 62 Ų | 62 | 63.3 Ų | 63.3 | 51% | 0.512 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | T86 I91 Q92 | T86-A88 PolarHBondContact O-N 3.34Å; A88-I91 PolarHBondContact O-N 3.5Å; A88-Q92 WeakPolarHBondContact O-CB 3.38Å; A88-Q92 PolarHBondContact O-N 3.31Å |
| 89 | Q | 90.9 | Very high | 88.3 | Confident | 106 Ų | 106 | 65.5 Ų | 65.5 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 176.9 | -76.3 | 166.4 | -31.2 | 0 | 0 | 111.7 | A85 T86 I91 Q92 I93 | A85-Q89 HydrophobicContact CB-CB 4.35Å; T86-Q89 PolarHBondContact O-N 3.42Å; T86-Q89 VanDerWaalsContact O-N 3.09Å; T86-Q89 WeakPolarHBondContact OG1-CB 3.45Å; T86-Q89 VanDerWaalsContact OG1-CG 3.26Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.45Å; T86-Q89 PolarHBondContact OG1-N 3.12Å; T86-Q89 VanDerWaalsContact OG1-N 3.17Å; T86-Q89 PolarHBondContact OG1-OE1 2.94Å; Q89-I91 VanDerWaalsContact C-N 3.35Å; Q89-I91 PolarHBondContact O-N 3.48Å; Q89-Q92 PolarHBondContact O-N 2.71Å; Q89-Q92 VanDerWaalsContact O-N 3.13Å; Q89-I93 WeakPolarHBondContact O-CD1 3.33Å; Q89-I93 WeakPolarHBondContact O-CG1 3.34Å; Q89-I93 PolarHBondContact O-N 2.99Å |
| 90 | A | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | I37 I53 L82 T86 Q92 M94 | I37-A90 HydrophobicContact CD1-CB 3.98Å; I53-A90 HydrophobicContact CD1-CB 3.57Å; I53-A90 HydrophobicContact CG1-CB 3.79Å; I53-A90 HydrophobicContact CG2-CB 4.33Å; L82-A90 HydrophobicContact CD1-CB 4.35Å; L82-A90 HydrophobicContact CD2-CB 4.13Å; T86-A90 PolarHBondContact O-N 3.3Å; A90-Q92 VanDerWaalsContact C-N 3.35Å; A90-Q92 PolarHBondContact O-N 3.46Å; A90-M94 VanDerWaalsContact O-CG 3.3Å; A90-M94 WeakPolarHBondContact O-CG 3.28Å; A90-M94 PolarHBondContact O-N 2.9Å |
| 91 | I | 91.4 | Very high | 88.7 | Confident | 51 Ų | 51 | 58.5 Ų | 58.5 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 174 | -73.2 | 174.2 | 0 | 0 | 0 | 111.6 | I37 H87 A88 Q89 M94 K95 | I37-I91 HydrophobicContact CD1-CG1 3.98Å; I37-I91 HydrophobicContact CG1-CG1 4.4Å; H87-I91 WeakPolarHBondContact O-CB 3.48Å; H87-I91 VanDerWaalsContact O-CG1 3.31Å; H87-I91 WeakPolarHBondContact O-CG1 3.38Å; H87-I91 PolarHBondContact O-N 2.76Å; A88-I91 PolarHBondContact O-N 3.5Å; Q89-I91 VanDerWaalsContact C-N 3.35Å; Q89-I91 PolarHBondContact O-N 3.48Å; I91-M94 PolarHBondContact O-N 2.73Å; I91-K95 HydrophobicContact CG2-CD 3.82Å; I91-K95 VanDerWaalsContact CG2-CE 3.43Å; I91-K95 HydrophobicContact CG2-CG 4.29Å; I91-K95 WeakPolarHBondContact O-CB 3.39Å; I91-K95 WeakPolarHBondContact O-CG 3.41Å; I91-K95 PolarHBondContact O-N 2.94Å |
| 92 | Q | 91.2 | Very high | 88.8 | Confident | 94 Ų | 94 | 56.3 Ų | 56.3 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.5 | -48.3 | -178 | -168.8 | 61.1 | 26.1 | 0 | 0 | 111.6 | A88 Q89 A90 M94 K95 D96 | A88-Q92 WeakPolarHBondContact O-CB 3.38Å; A88-Q92 PolarHBondContact O-N 3.31Å; Q89-Q92 PolarHBondContact O-N 2.71Å; Q89-Q92 VanDerWaalsContact O-N 3.13Å; A90-Q92 VanDerWaalsContact C-N 3.35Å; A90-Q92 PolarHBondContact O-N 3.46Å; Q92-M94 PolarHBondContact O-N 2.88Å; Q92-K95 PolarHBondContact O-N 3.49Å; Q92-D96 WeakPolarHBondContact CG-OD2 3.35Å; Q92-D96 PolarHBondContact NE2-OD1 2.8Å; Q92-D96 PolarHBondContact NE2-OD2 3.39Å; Q92-D96 PolarHBondContact O-N 2.93Å |
| 93 | I | 90.6 | Very high | 88.8 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.7 | -41 | 176.1 | -65.6 | 157.7 | 0 | 0 | 0 | 110.9 | A77 V80 L82 Q89 S97 | A77-I93 HydrophobicContact CB-CG2 4.01Å; V80-I93 HydrophobicContact CB-CD1 4.09Å; V80-I93 HydrophobicContact CG1-CD1 3.71Å; V80-I93 HydrophobicContact CG2-CD1 4.45Å; L82-I93 HydrophobicContact CD2-CD1 3.71Å; Q89-I93 WeakPolarHBondContact O-CD1 3.33Å; Q89-I93 WeakPolarHBondContact O-CG1 3.34Å; Q89-I93 PolarHBondContact O-N 2.99Å; I93-S97 WeakPolarHBondContact O-CB 3.41Å; I93-S97 PolarHBondContact O-N 3.25Å; I93-S97 PolarHBondContact O-OG 3.12Å |
| 94 | M | 91 | Very high | 89.3 | Confident | 18 Ų | 18 | 54 Ų | 54 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.2 | -31 | 176.8 | -66.5 | 180 | -164.7 | 0 | 0 | 113.4 | F33 I35 I37 I53 I74 L82 A90 I91 Q92 L100 | F33-M94 WeakPolarHBondContact CE2-O 3.31Å; I35-M94 HydrophobicContact CD1-SD 4.24Å; I37-M94 HydrophobicContact CD1-CE 4.11Å; I37-M94 HydrophobicContact CD1-SD 3.97Å; I37-M94 HydrophobicContact CG2-CE 4.35Å; I37-M94 HydrophobicContact CG2-SD 4.25Å; I53-M94 HydrophobicContact CG2-CE 4.5Å; I74-M94 HydrophobicContact CD1-CE 3.79Å; I74-M94 HydrophobicContact CG2-CE 4.44Å; L82-M94 HydrophobicContact CD1-CE 3.86Å; A90-M94 VanDerWaalsContact O-CG 3.3Å; A90-M94 WeakPolarHBondContact O-CG 3.28Å; A90-M94 PolarHBondContact O-N 2.9Å; I91-M94 PolarHBondContact O-N 2.73Å; Q92-M94 PolarHBondContact O-N 2.88Å; M94-L100 HydrophobicContact CB-CD2 4.4Å; M94-L100 HydrophobicContact CG-CD1 4.09Å; M94-L100 HydrophobicContact CG-CD2 3.96Å; M94-L100 HydrophobicContact SD-CD2 4.48Å |
| 95 | K | 89.4 | Confident | 89.6 | Confident | 129 Ų | 129 | 51.4 Ų | 51.4 | 56% | 0.561 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -73.2 | -41.8 | 177.5 | -81.3 | 174.7 | 177.8 | 172.8 | 0 | 113 | K27 I91 Q92 S97 | K27-K95 PolarHBondContact NZ-O 2.95Å; I91-K95 HydrophobicContact CG2-CD 3.82Å; I91-K95 VanDerWaalsContact CG2-CE 3.43Å; I91-K95 HydrophobicContact CG2-CG 4.29Å; I91-K95 WeakPolarHBondContact O-CB 3.39Å; I91-K95 WeakPolarHBondContact O-CG 3.41Å; I91-K95 PolarHBondContact O-N 2.94Å; Q92-K95 PolarHBondContact O-N 3.49Å; K95-S97 VanDerWaalsContact C-N 3.27Å; K95-S97 PolarHBondContact O-N 2.76Å |
| 96 | D | 89.3 | Confident | 89.6 | Confident | 111 Ų | 111 | 52.6 Ų | 52.6 | 59% | 0.594 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -78.4 | -15.9 | -175.1 | -62 | -16.2 | 0 | 0 | 0 | 112.2 | Q92 | Q92-D96 WeakPolarHBondContact CG-OD2 3.35Å; Q92-D96 PolarHBondContact NE2-OD1 2.8Å; Q92-D96 PolarHBondContact NE2-OD2 3.39Å; Q92-D96 PolarHBondContact O-N 2.93Å |
| 97 | S | 87.1 | Confident | 88.8 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 12% | 0.119 | 28% | 0.281 | C | S | . | . | trans | -81.8 | 139.7 | 172.6 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | K27 F33 N78 I93 K95 | K27-S97 WeakPolarHBondContact CD-O 3.47Å; K27-S97 PolarHBondContact NZ-O 3.37Å; F33-S97 WeakPolarHBondContact CE2-O 3.43Å; F33-S97 VanDerWaalsContact CZ-O 3.31Å; F33-S97 WeakPolarHBondContact CZ-O 3.26Å; N78-S97 WeakPolarHBondContact ND2-CB 3.43Å; N78-S97 PolarHBondContact ND2-OG 3.43Å; I93-S97 WeakPolarHBondContact O-CB 3.41Å; I93-S97 PolarHBondContact O-N 3.25Å; I93-S97 PolarHBondContact O-OG 3.12Å; K95-S97 VanDerWaalsContact C-N 3.27Å; K95-S97 PolarHBondContact O-N 2.76Å | ||
| 98 | D | 88.7 | Confident | 87.6 | Confident | 105 Ų | 105 | 56.1 Ų | 56.1 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -102.2 | -28.5 | 166.8 | -72.5 | -25.1 | 0 | 0 | 0 | 113 | K27 F33 | K27-D98 VanDerWaalsContact CB-O 3.23Å; K27-D98 WeakPolarHBondContact CB-O 3.29Å; K27-D98 HydrophobicContact CD-CB 4.44Å; K27-D98 WeakPolarHBondContact CD-OD1 3.31Å; K27-D98 WeakPolarHBondContact CE-OD1 3.33Å; K27-D98 PolarHBondContact N-O 3.22Å; K27-D98 IonicContact NZ-OD1 2.62Å; K27-D98 PolarHBondContact NZ-OD1 3.2Å; F33-D98 WeakPolarHBondContact CE1-O 3.36Å |
| 99 | N | 88.2 | Confident | 85.5 | Confident | 93 Ų | 93 | 58.1 Ų | 58.1 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.3 | 164.2 | -54 | -67.3 | 0 | 0 | 0 | 107.4 | N26 N78 | N26-N99 PolarHBondContact OD1-OD1 2.9Å; N78-N99 PolarHBondContact ND2-O 2.92Å |
| 100 | L | 89.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 103.4 | -169.4 | -177.3 | 66.9 | 0 | 0 | 0 | 109.7 | L25 F33 A77 M94 L102 | L25-L100 PolarHBondContact N-O 2.94Å; L25-L100 PolarHBondContact O-N 3.06Å; F33-L100 HydrophobicContact CB-CD2 4.39Å; F33-L100 HydrophobicContact CD1-CB 3.82Å; F33-L100 HydrophobicContact CD1-CD2 4.13Å; F33-L100 HydrophobicContact CD2-CD2 3.91Å; F33-L100 HydrophobicContact CE1-CB 3.41Å; F33-L100 VanDerWaalsContact CE1-CB 3.41Å; F33-L100 HydrophobicContact CE1-CD2 4.4Å; F33-L100 HydrophobicContact CE2-CB 4.24Å; F33-L100 HydrophobicContact CE2-CD2 4.23Å; F33-L100 HydrophobicContact CG-CB 4.36Å; F33-L100 HydrophobicContact CG-CD2 3.86Å; F33-L100 HydrophobicContact CZ-CB 3.64Å; F33-L100 HydrophobicContact CZ-CD2 4.44Å; A77-L100 HydrophobicContact CB-CD1 4.11Å; M94-L100 HydrophobicContact CB-CD2 4.4Å; M94-L100 HydrophobicContact CG-CD1 4.09Å; M94-L100 HydrophobicContact CG-CD2 3.96Å; M94-L100 HydrophobicContact SD-CD2 4.48Å; L100-L102 HydrophobicContact CD1-CD2 3.86Å; L100-L102 HydrophobicContact CD2-CD1 4.23Å; L100-L102 HydrophobicContact CD2-CD2 3.98Å; L100-L102 HydrophobicContact CD2-CG 4.28Å; L100-L102 HydrophobicContact CG-CD1 4.45Å; L100-L102 HydrophobicContact CG-CD2 3.63Å; L100-L102 HydrophobicContact CG-CG 3.97Å |
| 101 | N | 89.1 | Confident | 80.6 | Confident | 76 Ų | 76 | 64.6 Ų | 64.6 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 116.8 | 175.2 | -57.7 | -67.9 | 0 | 0 | 0 | 109.2 | S24 A77 N78 | S24-N101 WeakPolarHBondContact CB-OD1 3.4Å; S24-N101 PolarHBondContact OG-OD1 2.78Å; A77-N101 CarbonylContact C-O 3.11Å; A77-N101 WeakPolarHBondContact CA-O 3.43Å; N78-N101 PolarHBondContact N-O 2.69Å; N78-N101 WeakPolarHBondContact OD1-CB 3.35Å; N78-N101 PolarHBondContact OD1-N 2.87Å; N78-N101 PolarHBondContact OD1-ND2 2.98Å; N78-N101 VanDerWaalsContact OD1-ND2 3.11Å |
| 102 | L | 91.4 | Very high | 78 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140.4 | -176.7 | -58.2 | 179.7 | 0 | 0 | 0 | 110.7 | C22 V23 L25 I35 L68 I74 Y76 A77 L100 I104 | C22-L102 WeakPolarHBondContact CA-O 3.21Å; V23-L102 PolarHBondContact N-O 2.8Å; V23-L102 PolarHBondContact O-N 3.45Å; L25-L102 HydrophobicContact CD1-CD1 4.3Å; I35-L102 HydrophobicContact CD1-CD1 4.42Å; L68-L102 HydrophobicContact CD1-CD1 3.98Å; I74-L102 HydrophobicContact CD1-CD1 4.48Å; I74-L102 HydrophobicContact CG2-CB 4.46Å; I74-L102 HydrophobicContact CG2-CD2 3.88Å; Y76-L102 WeakPolarHBondContact O-CA 3.46Å; A77-L102 HydrophobicContact CB-CD2 3.57Å; L100-L102 HydrophobicContact CD1-CD2 3.86Å; L100-L102 HydrophobicContact CD2-CD1 4.23Å; L100-L102 HydrophobicContact CD2-CD2 3.98Å; L100-L102 HydrophobicContact CD2-CG 4.28Å; L100-L102 HydrophobicContact CG-CD1 4.45Å; L100-L102 HydrophobicContact CG-CD2 3.63Å; L100-L102 HydrophobicContact CG-CG 3.97Å; L102-I104 HydrophobicContact CB-CD1 3.82Å; L102-I104 HydrophobicContact CB-CG1 4.1Å; L102-I104 HydrophobicContact CD1-CD1 4.09Å |
| 103 | V | 88.8 | Confident | 75.4 | Confident | 43 Ų | 43 | 66 Ų | 66 | 26% | 0.261 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 115.9 | 161.3 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | Y20 V75 Y76 | Y20-V103 HydrophobicContact CD1-CG1 4.28Å; V75-V103 HydrophobicContact CB-CG1 4.4Å; V75-V103 PolarHBondContact N-O 3.43Å; Y76-V103 HydrophobicContact CD2-CB 4.2Å; Y76-V103 HydrophobicContact CD2-CG2 4.41Å; Y76-V103 PolarHBondContact N-O 3.18Å; Y76-V103 PolarHBondContact O-N 2.83Å |
| 104 | I | 90.8 | Very high | 73.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.9 | -173.6 | -57.8 | -65.3 | 0 | 0 | 0 | 109.7 | Y20 L21 V23 L68 D72 R73 I74 L102 R106 | Y20-I104 CarbonylContact C-O 3.55Å; Y20-I104 VanDerWaalsContact CA-O 3.25Å; Y20-I104 WeakPolarHBondContact CA-O 3.24Å; L21-I104 HydrophobicContact CB-CB 4.24Å; L21-I104 PolarHBondContact N-O 3.01Å; L21-I104 WeakPolarHBondContact O-CB 3.47Å; L21-I104 PolarHBondContact O-N 2.98Å; V23-I104 HydrophobicContact CB-CG1 4.42Å; V23-I104 HydrophobicContact CG2-CG1 4.21Å; L68-I104 HydrophobicContact CD2-CD1 3.81Å; L68-I104 HydrophobicContact CD2-CG1 3.66Å; D72-I104 HydrophobicContact CB-CG2 3.62Å; R73-I104 CarbonylContact O-C 3.56Å; R73-I104 WeakPolarHBondContact O-CA 3.46Å; I74-I104 HydrophobicContact CB-CD1 4.29Å; I74-I104 HydrophobicContact CG1-CD1 3.83Å; I74-I104 HydrophobicContact CG2-CD1 4.2Å; L102-I104 HydrophobicContact CB-CD1 3.82Å; L102-I104 HydrophobicContact CB-CG1 4.1Å; L102-I104 HydrophobicContact CD1-CD1 4.09Å; I104-R106 HydrophobicContact CG2-CB 4.46Å |
| 105 | K | 87.1 | Confident | 71 | Confident | 47 Ų | 47 | 71.3 Ų | 71.3 | 20% | 0.204 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 103.3 | 172.5 | -172.5 | 175.9 | -175.2 | 161.6 | 0 | 108.3 | W18 Y20 R73 V75 | W18-K105 HydrophobicContact CB-CG 4.11Å; W18-K105 HydrophobicContact CD2-CG 4.1Å; W18-K105 HydrophobicContact CE3-CB 4.49Å; W18-K105 HydrophobicContact CE3-CD 4.37Å; W18-K105 HydrophobicContact CE3-CG 3.61Å; W18-K105 HydrophobicContact CG-CG 4.34Å; W18-K105 HydrophobicContact CZ3-CG 4.27Å; Y20-K105 HydrophobicContact CD1-CB 4.02Å; Y20-K105 HydrophobicContact CD1-CG 4.21Å; Y20-K105 HydrophobicContact CE1-CB 3.82Å; Y20-K105 HydrophobicContact CE1-CD 3.66Å; Y20-K105 HydrophobicContact CE1-CG 3.69Å; Y20-K105 VanDerWaalsContact OH-CE 3.28Å; Y20-K105 WeakPolarHBondContact OH-CE 3.19Å; Y20-K105 PolarHBondContact OH-NZ 3Å; R73-K105 HydrophobicContact CB-CB 4.23Å; R73-K105 PolarHBondContact N-O 3.37Å; R73-K105 PolarHBondContact O-N 2.95Å; V75-K105 HydrophobicContact CG2-CB 3.61Å; V75-K105 HydrophobicContact CG2-CD 4.49Å |
| 106 | R | 84.4 | Confident | 69.3 | Low | 34 Ų | 34 | 66.2 Ų | 66.2 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 142.3 | -174.7 | 179.3 | 177.4 | -66.9 | 163.6 | 1.8 | 110.9 | W18 T19 L21 I67 D72 I104 V108 | W18-R106 CarbonylContact C-O 3.5Å; W18-R106 WeakPolarHBondContact CA-O 3.36Å; T19-R106 PolarHBondContact N-O 3.13Å; T19-R106 PolarHBondContact O-N 3.35Å; L21-R106 HydrophobicContact CD1-CB 4.05Å; I67-R106 PolarHBondContact O-NH2 3.46Å; D72-R106 WeakPolarHBondContact OD1-CB 3.5Å; D72-R106 WeakPolarHBondContact OD1-CG 3.38Å; D72-R106 IonicContact OD1-CZ 2.97Å; D72-R106 IonicContact OD1-NE 3.18Å; D72-R106 PolarHBondContact OD1-NE 3.25Å; D72-R106 IonicContact OD1-NH2 2.72Å; D72-R106 IonicContact OD2-CZ 3.22Å; D72-R106 IonicContact OD2-NE 2.7Å; D72-R106 IonicContact OD2-NH2 3.7Å; D72-R106 PolarHBondContact OD2-NH2 2.94Å; I104-R106 HydrophobicContact CG2-CB 4.46Å; R106-V108 HydrophobicContact CG-CG2 4.39Å |
| 107 | R | 74.2 | Confident | 68 | Low | 100 Ų | 100 | 65.5 Ų | 65.5 | 38% | 0.377 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 125.2 | 168.2 | -72.7 | -171.4 | 156.5 | -175.3 | -13.4 | 110.5 | Q11 D12 W18 | Q11-R107 PolarHBondContact O-NH2 2.87Å; D12-R107 IonicContact OD1-CZ 3.17Å; D12-R107 IonicContact OD1-NE 3.64Å; D12-R107 IonicContact OD1-NH2 2.76Å; D12-R107 PolarHBondContact OD1-NH2 3.19Å; W18-R107 HydrophobicContact CD2-CG 3.87Å; W18-R107 HydrophobicContact CE3-CG 3.65Å; W18-R107 HydrophobicContact CH2-CG 3.6Å; W18-R107 HydrophobicContact CZ2-CG 3.75Å; W18-R107 HydrophobicContact CZ3-CG 3.54Å |
| 108 | V | 62.8 | Low | 67.2 | Low | 54 Ų | 54 | 67.7 Ų | 67.7 | 33% | 0.327 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.2 | 176.6 | 176.3 | 0 | 0 | 0 | 0 | 109.1 | S16 T17 T19 R106 V110 | S16-V108 CarbonylContact C-O 3.49Å; S16-V108 WeakPolarHBondContact CA-O 3.3Å; S16-V108 WeakPolarHBondContact CB-O 3.43Å; T17-V108 PolarHBondContact N-O 3.1Å; T17-V108 PolarHBondContact O-N 3.01Å; T19-V108 HydrophobicContact CG2-CB 3.96Å; T19-V108 HydrophobicContact CG2-CG2 3.73Å; T19-V108 VanDerWaalsContact OG1-CG2 3.24Å; T19-V108 WeakPolarHBondContact OG1-CG2 3.27Å; R106-V108 HydrophobicContact CG-CG2 4.39Å; V108-V110 PolarHBondContact O-N 2.95Å |
| 109 | P | 48.7 | Very low | 66.6 | Low | 103 Ų | 103 | 66 Ų | 66 | 67% | 0.669 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 127.5 | 178.7 | -26.3 | 35.5 | 0 | 0 | 0 | 113 | Q15 Q111 | Q15-P109 CarbonylContact O-C 3.36Å; Q15-P109 WeakPolarHBondContact O-CA 3.27Å; P109-Q111 PolarHBondContact O-N 2.92Å |
| 110 | V | 41.9 | Very low | 66.2 | Low | 62 Ų | 62 | 62.8 Ų | 62.8 | 38% | 0.376 | 32% | 0.316 | S | S | . | . | trans | -73.3 | 123.9 | 173.4 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | Q15 T17 V108 V112 | Q15-V110 PolarHBondContact O-N 3.5Å; T17-V110 HydrophobicContact CG2-CG2 3.71Å; V108-V110 PolarHBondContact O-N 2.95Å; V110-V112 HydrophobicContact CG1-CG2 4.49Å; V110-V112 PolarHBondContact O-N 3.29Å | ||
| 111 | Q | 36.9 | Very low | 65.8 | Low | 181 Ų | 181 | 69.1 Ų | 69.1 | 85% | 0.846 | 34% | 0.343 | S | S | * | . | trans | -72.6 | 94.4 | 168.1 | -65 | -175 | 4.8 | 0 | 0 | 109.2 | P109 L113 | P109-Q111 PolarHBondContact O-N 2.92Å; Q111-L113 PolarHBondContact O-N 3.25Å | ||
| 112 | V | 36.5 | Very low | 65.5 | Low | 71 Ų | 71 | 66.3 Ų | 66.3 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | trans | -68 | 103.5 | 170.8 | 172.1 | 0 | 0 | 0 | 0 | 108.9 | Q15 V110 E114 | Q15-V112 HydrophobicContact CG-CG2 4.3Å; V110-V112 HydrophobicContact CG1-CG2 4.49Å; V110-V112 PolarHBondContact O-N 3.29Å; V112-E114 PolarHBondContact O-N 2.91Å | ||
| 113 | L | 36.4 | Very low | 65.1 | Low | 103 Ų | 103 | 69.7 Ų | 69.7 | 54% | 0.539 | 35% | 0.348 | S | S | . | . | trans | -63.4 | 103.6 | 165.9 | -71.4 | 168 | 0 | 0 | 0 | 108.6 | Q111 Y115 | Q111-L113 PolarHBondContact O-N 3.25Å; L113-Y115 HydrophobicContact CB-CE2 4.12Å; L113-Y115 WeakPolarHBondContact O-CD2 3.49Å; L113-Y115 VanDerWaalsContact O-CE2 3.29Å; L113-Y115 WeakPolarHBondContact O-CE2 3.23Å | ||
| 114 | E | 44.1 | Very low | 64.7 | Low | 50 Ų | 50 | 68.4 Ų | 68.4 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 132.1 | 166.3 | -69.8 | -166.3 | 124.5 | 0 | 0 | 109.8 | V112 R217 | V112-E114 PolarHBondContact O-N 2.91Å; E114-R217 HydrophobicContact CB-CB 4.32Å; E114-R217 HydrophobicContact CB-CG 4.13Å; E114-R217 WeakPolarHBondContact O-CB 3.49Å; E114-R217 WeakPolarHBondContact O-CG 3.38Å; E114-R217 PolarHBondContact O-N 3.18Å; E114-R217 IonicContact OE1-NH1 3.28Å; E114-R217 PolarHBondContact OE1-NH1 3.34Å; E114-R217 VanDerWaalsContact OE2-CD 3.3Å; E114-R217 WeakPolarHBondContact OE2-CD 3.49Å; E114-R217 IonicContact OE2-CZ 3.74Å; E114-R217 IonicContact OE2-NE 2.78Å; E114-R217 IonicContact OE2-NH1 2.78Å; E114-R217 PolarHBondContact OE2-NH1 2.98Å |
| 115 | Y | 46.5 | Very low | 63.9 | Low | 117 Ų | 117 | 73.3 Ų | 73.3 | 46% | 0.459 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 135.2 | 173.6 | -67.2 | -102.7 | 0 | 0 | 0 | 110.3 | L113 D214 P216 | L113-Y115 HydrophobicContact CB-CE2 4.12Å; L113-Y115 WeakPolarHBondContact O-CD2 3.49Å; L113-Y115 VanDerWaalsContact O-CE2 3.29Å; L113-Y115 WeakPolarHBondContact O-CE2 3.23Å; Y115-D214 HydrophobicContact CD1-CB 4.01Å; Y115-D214 HydrophobicContact CG-CB 4.38Å; Y115-P216 HydrophobicContact CD1-CG 4.09Å; Y115-P216 HydrophobicContact CE1-CG 3.74Å |
| 116 | D | 52.2 | Low | 62.8 | Low | 21 Ų | 21 | 74.8 Ų | 74.8 | 11% | 0.112 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 121.1 | 168.1 | -98.1 | -27 | 0 | 0 | 0 | 109.8 | R118 V215 R217 R239 | D116-R118 PolarHBondContact O-N 3.28Å; D116-V215 PolarHBondContact N-O 3.11Å; D116-V215 PolarHBondContact O-N 2.96Å; D116-R217 HydrophobicContact CB-CG 4.2Å; D116-R217 IonicContact OD1-CZ 3.49Å; D116-R217 IonicContact OD1-NE 2.62Å; D116-R217 PolarHBondContact OD1-NE 2.79Å; D116-R217 IonicContact OD1-NH2 3.78Å; D116-R217 PolarHBondContact OD1-NH2 3.45Å; D116-R217 IonicContact OD2-NE 3.18Å; D116-R217 PolarHBondContact OD2-NE 3.39Å; D116-R239 IonicContact OD1-CZ 3.27Å; D116-R239 IonicContact OD1-NH1 2.71Å; D116-R239 PolarHBondContact OD1-NH1 2.78Å; D116-R239 IonicContact OD2-CZ 2.69Å; D116-R239 IonicContact OD2-NE 2.71Å; D116-R239 IonicContact OD2-NH1 3.8Å; D116-R239 PolarHBondContact OD2-NH1 3.17Å |
| 117 | Q | 63 | Low | 61.2 | Low | 97 Ų | 97 | 77.4 Ų | 77.4 | 45% | 0.453 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 124.6 | 170.8 | -77.8 | 176.2 | -6.2 | 0 | 0 | 110.9 | D214 | Q117-D214 WeakPolarHBondContact CG-OD1 3.33Å; Q117-D214 PolarHBondContact NE2-OD1 3.35Å |
| 118 | R | 69.1 | Low | 59.9 | Low | 62 Ų | 62 | 83.6 Ų | 83.6 | 23% | 0.234 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.2 | 174.3 | -57.9 | -162.7 | -169.4 | -152.9 | 4.3 | 110.9 | D116 Q212 R213 V215 E231 | D116-R118 PolarHBondContact O-N 3.28Å; R118-Q212 WeakPolarHBondContact O-CA 3.5Å; R118-R213 PolarHBondContact N-O 3.46Å; R118-R213 PolarHBondContact O-N 2.84Å; R118-V215 HydrophobicContact CB-CG2 4.39Å; R118-V215 HydrophobicContact CG-CB 4.48Å; R118-V215 HydrophobicContact CG-CG2 4.04Å; R118-E231 IonicContact CZ-OE1 2.87Å; R118-E231 IonicContact CZ-OE2 2.73Å; R118-E231 IonicContact NE-OE1 2.64Å; R118-E231 IonicContact NE-OE2 2.64Å; R118-E231 IonicContact NH1-OE1 3.93Å; R118-E231 PolarHBondContact NH1-OE1 2.73Å; R118-E231 IonicContact NH1-OE2 3.11Å; R118-E231 PolarHBondContact NH1-OE2 2.91Å |
| 119 | T | 77.6 | Confident | 58.9 | Low | 71 Ų | 71 | 91.1 Ų | 91.1 | 44% | 0.436 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 122.7 | 170.8 | -51.5 | 0 | 0 | 0 | 0 | 109.2 | L181 V210 I211 | T119-L181 HydrophobicContact CG2-CD1 4.25Å; T119-V210 HydrophobicContact CG2-CG1 3.53Å; T119-I211 CarbonylContact C-O 3.47Å; T119-I211 VanDerWaalsContact CA-O 3.27Å; T119-I211 WeakPolarHBondContact CA-O 3.16Å; T119-I211 WeakPolarHBondContact CG2-O 3.35Å |
| 120 | L | 78.3 | Confident | 58.3 | Low | 24 Ų | 24 | 94.9 Ų | 94.9 | 13% | 0.126 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 147.3 | 178.6 | -57 | 172.7 | 0 | 0 | 0 | 110.1 | F122 V210 I211 R213 | L120-F122 HydrophobicContact CB-CD2 4.49Å; L120-F122 HydrophobicContact CB-CE2 3.84Å; L120-V210 WeakPolarHBondContact O-CA 3.44Å; L120-I211 HydrophobicContact CB-CD1 4.03Å; L120-I211 HydrophobicContact CB-CG1 3.73Å; L120-I211 HydrophobicContact CD1-CD1 4.24Å; L120-I211 PolarHBondContact N-O 3.24Å; L120-I211 WeakPolarHBondContact O-CG1 3.45Å; L120-I211 PolarHBondContact O-N 3.11Å; L120-R213 HydrophobicContact CD1-CB 4.46Å |
| 121 | K | 83 | Confident | 57.9 | Low | 133 Ų | 133 | 98.9 Ų | 98.9 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.2 | 178.4 | -178.4 | 177.8 | 176.9 | -177.6 | 0 | 110.9 | L209 V210 | K121-L209 WeakPolarHBondContact CA-O 3.22Å; K121-V210 HydrophobicContact CG-CG2 4.24Å |
| 122 | F | 81.4 | Confident | 57.5 | Low | 18 Ų | 18 | 93.6 Ų | 93.6 | 8% | 0.079 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 149.4 | 178.2 | -72.2 | -102.2 | 0 | 0 | 0 | 110.6 | L120 L124 P172 G173 L174 S208 L209 I211 | L120-F122 HydrophobicContact CB-CD2 4.49Å; L120-F122 HydrophobicContact CB-CE2 3.84Å; F122-L124 HydrophobicContact CB-CD2 4.43Å; F122-L124 HydrophobicContact CD1-CD2 4.4Å; F122-P172 WeakPolarHBondContact CE1-O 3.41Å; F122-P172 HydrophobicContact CZ-CB 4.46Å; F122-P172 WeakPolarHBondContact CZ-O 3.29Å; F122-G173 VanDerWaalsContact CE1-C 3.5Å; F122-G173 WeakPolarHBondContact CZ-O 3.39Å; F122-L174 HydrophobicContact CB-CD2 4.37Å; F122-L174 HydrophobicContact CD1-CD2 3.72Å; F122-L174 HydrophobicContact CD1-CG 3.71Å; F122-L174 HydrophobicContact CD2-CD2 3.51Å; F122-L174 HydrophobicContact CD2-CG 4.43Å; F122-L174 HydrophobicContact CE1-CD2 3.8Å; F122-L174 HydrophobicContact CE1-CG 3.77Å; F122-L174 HydrophobicContact CE2-CD2 3.63Å; F122-L174 HydrophobicContact CG-CD2 3.58Å; F122-L174 HydrophobicContact CG-CG 4.06Å; F122-L174 HydrophobicContact CZ-CD2 3.77Å; F122-L174 HydrophobicContact CZ-CG 4.19Å; F122-S208 VanDerWaalsContact O-CA 3.3Å; F122-S208 WeakPolarHBondContact O-CA 3.25Å; F122-S208 PolarHBondContact O-OG 3.34Å; F122-L209 HydrophobicContact CB-CB 4.33Å; F122-L209 PolarHBondContact N-O 3.48Å; F122-L209 PolarHBondContact O-N 2.68Å; F122-L209 VanDerWaalsContact O-N 3.12Å; F122-I211 HydrophobicContact CD2-CD1 4.23Å; F122-I211 HydrophobicContact CD2-CG1 4.19Å; F122-I211 HydrophobicContact CE2-CD1 3.63Å; F122-I211 HydrophobicContact CE2-CG1 3.99Å; F122-I211 HydrophobicContact CZ-CD1 4.48Å |
| 123 | T | 83.2 | Confident | 57.2 | Low | 73 Ų | 73 | 96.9 Ų | 96.9 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 107.6 | 166.3 | -62.5 | 0 | 0 | 0 | 0 | 107.5 | R206 L207 S208 | T123-R206 HydrophobicContact CG2-CG 3.88Å; T123-L207 WeakPolarHBondContact CA-O 3.15Å; T123-S208 PolarHBondContact OG1-OG 3.42Å |
| 124 | L | 80.2 | Confident | 56.9 | Low | 15 Ų | 15 | 96.4 Ų | 96.4 | 8% | 0.079 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135.7 | -176.8 | -50.5 | -178 | 0 | 0 | 0 | 108.5 | F122 F149 I151 L167 L174 R206 L207 | F122-L124 HydrophobicContact CB-CD2 4.43Å; F122-L124 HydrophobicContact CD1-CD2 4.4Å; L124-F149 HydrophobicContact CB-CD1 3.69Å; L124-F149 HydrophobicContact CB-CE1 3.53Å; L124-F149 HydrophobicContact CD1-CD1 4.06Å; L124-I151 HydrophobicContact CD1-CD1 3.8Å; L124-L167 HydrophobicContact CD1-CD1 3.74Å; L124-L167 HydrophobicContact CD1-CD2 3.74Å; L124-L167 HydrophobicContact CD1-CG 4.34Å; L124-L167 HydrophobicContact CD2-CD2 3.86Å; L124-L167 HydrophobicContact CG-CD2 4.25Å; L124-L174 HydrophobicContact CD1-CD1 3.95Å; L124-R206 CarbonylContact O-C 3.6Å; L124-R206 VanDerWaalsContact O-CA 3.27Å; L124-R206 WeakPolarHBondContact O-CA 3.25Å; L124-R206 VanDerWaalsContact O-CG 3.3Å; L124-R206 WeakPolarHBondContact O-CG 3.22Å; L124-L207 HydrophobicContact CB-CB 4.41Å; L124-L207 HydrophobicContact CD1-CD2 4.24Å; L124-L207 PolarHBondContact N-O 2.87Å; L124-L207 PolarHBondContact O-N 2.68Å |
| 125 | T | 75.5 | Confident | 56.1 | Low | 104 Ų | 104 | 99.7 Ų | 99.7 | 64% | 0.638 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.2 | 176.5 | 48.9 | 0 | 0 | 0 | 0 | 108.9 | S127 D205 R206 | T125-S127 PolarHBondContact O-N 3.12Å; T125-D205 WeakPolarHBondContact CA-O 3.38Å; T125-R206 HydrophobicContact CG2-CG 4.07Å |
| 126 | K | 62.9 | Low | 55.4 | Low | 78 Ų | 78 | 99.4 Ų | 99.4 | 34% | 0.339 | 54% | 0.54 | S | S | . | . | trans | -73.1 | 119.4 | -175.7 | -166.6 | 176 | 175.5 | -175.2 | 0 | 110.1 | R128 L147 F149 K204 D205 | K126-R128 PolarHBondContact O-N 3.35Å; K126-L147 VanDerWaalsContact CE-O 3.31Å; K126-L147 WeakPolarHBondContact CE-O 3.31Å; K126-L147 PolarHBondContact NZ-O 2.91Å; K126-F149 HydrophobicContact CB-CE1 4.28Å; K126-F149 HydrophobicContact CB-CZ 4.05Å; K126-K204 WeakPolarHBondContact CD-O 3.38Å; K126-D205 PolarHBondContact N-O 2.99Å | ||
| 127 | S | 51.8 | Low | 54.3 | Low | 89 Ų | 89 | 107.1 Ų | 107.1 | 62% | 0.622 | 57% | 0.573 | S | S | * | * | trans | -71.8 | 100.9 | -179 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | T125 R129 | T125-S127 PolarHBondContact O-N 3.12Å; S127-R129 PolarHBondContact O-N 3.19Å | ||
| 128 | R | 46.7 | Very low | 52.8 | Low | 230 Ų | 230 | 110.2 Ų | 110.2 | 87% | 0.868 | 59% | 0.592 | S | S | * | * | trans | -58 | 107.3 | 163.3 | -89 | -175 | 163.5 | -155.8 | -6.1 | 108.9 | K126 | K126-R128 PolarHBondContact O-N 3.35Š| ||
| 129 | R | 42.1 | Very low | 50.9 | Low | 212 Ų | 212 | 114.3 Ų | 114.3 | 80% | 0.8 | 61% | 0.614 | S | S | * | * | trans | -68.2 | 136 | 160.8 | -69.6 | -166.6 | -175.8 | -158.8 | 5.5 | 107.9 | S127 | S127-R129 PolarHBondContact O-N 3.19Š| ||
| 130 | K | 35.4 | Very low | 48.6 | Very low | 182 Ų | 182 | 116.6 Ų | 116.6 | 79% | 0.791 | 63% | 0.632 | S | S | * | * | trans | -102 | 115.1 | 175.2 | -175.8 | -175.5 | 177.7 | -170.3 | 0 | 107.8 | ||||
| 131 | D | 32.7 | Very low | 46.2 | Very low | 145 Ų | 145 | 123 Ų | 123 | 78% | 0.775 | 67% | 0.665 | S | S | * | * | trans | 39.8 | 121.5 | 153 | -38.2 | -38.1 | 0 | 0 | 0 | 119.6 | ||||
| 132 | G | 29.8 | Very low | 43.4 | Very low | 71 Ų | 71 | 120.1 Ų | 120.1 | 73% | 0.732 | 67% | 0.673 | S | S | * | * | trans | 161.7 | 108.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 133 | T | 30.2 | Very low | 40.7 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 86% | 0.859 | 71% | 0.71 | S | S | * | * | trans | 40.8 | 94.6 | 147 | 56.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 134 | A | 28.3 | Very low | 38 | Very low | 93 Ų | 93 | 127.7 Ų | 127.7 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | 60.9 | 144.3 | 115 | 0 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 135 | S | 27.8 | Very low | 35.7 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | 90.7 | 150.7 | 154.9 | 77.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 136 | S | 31.7 | Very low | 33.6 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 49.7 | 97.2 | -174.3 | -58.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 137 | K | 29.5 | Very low | 32.6 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | 48.1 | 105.3 | 66.7 | -66.6 | -170 | 172.9 | -173.6 | 0 | 113.8 | |||||
| 138 | D | 32 | Very low | 33 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | -151.8 | 175.7 | 101.8 | -100 | -31.7 | 0 | 0 | 0 | 111.3 | |||||
| 139 | H | 29.2 | Very low | 34.3 | Very low | 148 Ų | 148 | 124.5 Ų | 124.5 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | trans | -107.3 | 142.5 | -160.1 | -81 | -110.5 | 0 | 0 | 0 | 115.3 | ||||
| 140 | C | 29.3 | Very low | 36 | Very low | 120 Ų | 120 | 115 Ų | 115 | 81% | 0.811 | 69% | 0.687 | S | S | * | * | trans | 160.3 | 97.4 | 136.6 | -89.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 141 | L | 26.8 | Very low | 38.2 | Very low | 159 Ų | 159 | 107.1 Ų | 107.1 | 83% | 0.832 | 65% | 0.654 | S | S | * | * | 91.7 | 76.7 | 65.4 | -78.3 | 168.7 | 0 | 0 | 0 | 115.2 | |||||
| 142 | G | 25 | Very low | 40.6 | Very low | 72 Ų | 72 | 101.5 Ų | 101.5 | 74% | 0.742 | 62% | 0.624 | S | S | * | * | trans | 110 | 132.9 | 149.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 143 | T | 24.9 | Very low | 43 | Very low | 139 Ų | 139 | 98.1 Ų | 98.1 | 85% | 0.853 | 59% | 0.59 | S | S | * | * | cis | -148.4 | 147.8 | -10.6 | 48.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 144 | S | 25.5 | Very low | 44.8 | Very low | 110 Ų | 110 | 91.6 Ų | 91.6 | 77% | 0.769 | 55% | 0.55 | S | S | * | * | trans | 74.4 | 150.8 | 167.6 | -149.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 145 | T | 31.7 | Very low | 46.4 | Very low | 86 Ų | 86 | 90.3 Ų | 90.3 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | trans | 72.7 | 55.3 | 164.2 | 51.7 | 0 | 0 | 0 | 0 | 121.4 | L147 D148 | T145-L147 PolarHBondContact O-N 3.13Å; T145-D148 WeakPolarHBondContact CB-OD2 3.45Å; T145-D148 WeakPolarHBondContact CG2-OD2 3.24Å | ||
| 146 | L | 32.2 | Very low | 48.2 | Very low | 183 Ų | 183 | 92.3 Ų | 92.3 | 96% | 0.958 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 32.3 | 154.5 | -98.8 | 167.1 | 0 | 0 | 0 | 113.5 | ||
| 147 | L | 41.5 | Very low | 50.6 | Low | 112 Ų | 112 | 88.1 Ų | 88.1 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.7 | -9.2 | -167.2 | -73.9 | 176.5 | 0 | 0 | 0 | 115.7 | K126 T145 | K126-L147 VanDerWaalsContact CE-O 3.31Å; K126-L147 WeakPolarHBondContact CE-O 3.31Å; K126-L147 PolarHBondContact NZ-O 2.91Å; T145-L147 PolarHBondContact O-N 3.13Å |
| 148 | D | 60.1 | Low | 53.2 | Low | 56 Ų | 56 | 82.2 Ų | 82.2 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -93 | 173.4 | -173.6 | -61.4 | -36.2 | 0 | 0 | 0 | 113.2 | T145 G150 | T145-D148 WeakPolarHBondContact CB-OD2 3.45Å; T145-D148 WeakPolarHBondContact CG2-OD2 3.24Å; D148-G150 PolarHBondContact O-N 3.32Å |
| 149 | F | 73.7 | Confident | 55.7 | Low | 12 Ų | 12 | 74.5 Ų | 74.5 | 5% | 0.053 | 43% | 0.43 | C | S | . | . | trans | -72.2 | -16.2 | -178.8 | -87.1 | -87 | 0 | 0 | 0 | 113.7 | L124 K126 I151 N164 L167 S203 L207 | L124-F149 HydrophobicContact CB-CD1 3.69Å; L124-F149 HydrophobicContact CB-CE1 3.53Å; L124-F149 HydrophobicContact CD1-CD1 4.06Å; K126-F149 HydrophobicContact CB-CE1 4.28Å; K126-F149 HydrophobicContact CB-CZ 4.05Å; F149-I151 HydrophobicContact CB-CD1 4.41Å; F149-N164 WeakPolarHBondContact O-CB 3.31Å; F149-N164 PolarHBondContact O-ND2 3.35Å; F149-L167 VanDerWaalsContact O-CD1 3.27Å; F149-L167 WeakPolarHBondContact O-CD1 3.46Å; F149-S203 VanDerWaalsContact CE2-O 3.22Å; F149-S203 WeakPolarHBondContact CE2-O 3.23Å; F149-L207 HydrophobicContact CB-CD2 3.73Å; F149-L207 HydrophobicContact CD1-CB 4.09Å; F149-L207 HydrophobicContact CD1-CD2 4.33Å; F149-L207 HydrophobicContact CD2-CB 3.55Å; F149-L207 HydrophobicContact CD2-CD2 3.85Å; F149-L207 HydrophobicContact CD2-CG 4.34Å; F149-L207 HydrophobicContact CE1-CB 4.03Å; F149-L207 HydrophobicContact CE2-CB 3.47Å; F149-L207 VanDerWaalsContact CE2-CB 3.47Å; F149-L207 HydrophobicContact CG-CB 3.87Å; F149-L207 HydrophobicContact CG-CD2 3.68Å; F149-L207 HydrophobicContact CG-CG 4.43Å; F149-L207 HydrophobicContact CZ-CB 3.72Å | ||
| 150 | G | 77.7 | Confident | 58 | Low | 12 Ų | 12 | 70.2 Ų | 70.2 | 12% | 0.124 | 41% | 0.409 | C | S | . | . | S | Bend | trans | 77 | 56.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D148 I162 T163 N164 | D148-G150 PolarHBondContact O-N 3.32Å; G150-I162 CarbonylContact O-C 3.59Å; G150-T163 WeakPolarHBondContact CA-OG1 3.48Å; G150-T163 PolarHBondContact O-N 2.92Å; G150-N164 PolarHBondContact O-N 3.44Å |
| 151 | I | 83 | Confident | 60.4 | Low | 17 Ų | 17 | 67.1 Ų | 67.1 | 9% | 0.087 | 39% | 0.385 | C | S | . | . | trans | -138.3 | 125.5 | 178.4 | -58.3 | 173.4 | 0 | 0 | 0 | 107.2 | L124 F149 L153 I159 L167 L174 L207 L209 | L124-I151 HydrophobicContact CD1-CD1 3.8Å; F149-I151 HydrophobicContact CB-CD1 4.41Å; I151-L153 HydrophobicContact CG2-CD2 4.36Å; I151-I159 HydrophobicContact CG2-CD1 4.13Å; I151-I159 HydrophobicContact CG2-CG1 4.07Å; I151-I159 HydrophobicContact CG2-CG2 4.22Å; I151-L167 HydrophobicContact CD1-CD1 3.78Å; I151-L167 HydrophobicContact CG1-CD1 3.58Å; I151-L174 HydrophobicContact CD1-CD1 3.7Å; I151-L174 HydrophobicContact CG1-CD1 4.47Å; I151-L207 HydrophobicContact CD1-CD2 3.86Å; I151-L209 HydrophobicContact CD1-CD1 3.8Å | ||
| 152 | V | 81.9 | Confident | 62.9 | Low | 27 Ų | 27 | 60.1 Ų | 60.1 | 16% | 0.164 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 136.4 | 175.7 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | I159 K160 D161 | V152-I159 WeakPolarHBondContact O-CA 3.35Å; V152-K160 HydrophobicContact CB-CB 4.44Å; V152-K160 HydrophobicContact CG1-CB 4.29Å; V152-K160 HydrophobicContact CG1-CD 3.99Å; V152-K160 PolarHBondContact O-N 3.39Å; V152-D161 HydrophobicContact CB-CB 4.07Å; V152-D161 HydrophobicContact CG2-CB 4.17Å; V152-D161 WeakPolarHBondContact CG2-OD2 3.41Å; V152-D161 PolarHBondContact N-O 2.87Å |
| 153 | L | 81 | Confident | 65.2 | Low | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135.4 | 177.6 | -59.3 | 178.6 | 0 | 0 | 0 | 110.7 | I151 F158 I159 V180 I183 L193 A196 L200 | I151-L153 HydrophobicContact CG2-CD2 4.36Å; L153-F158 WeakPolarHBondContact CA-O 3.34Å; L153-I159 HydrophobicContact CD2-CG1 4.48Å; L153-V180 HydrophobicContact CD2-CB 4.38Å; L153-V180 HydrophobicContact CD2-CG2 3.73Å; L153-I183 HydrophobicContact CD1-CD1 3.85Å; L153-L193 HydrophobicContact CB-CD1 3.79Å; L153-A196 HydrophobicContact CD1-CB 3.73Å; L153-L200 HydrophobicContact CD1-CD1 3.82Å; L153-L200 HydrophobicContact CD1-CG 4.49Å; L153-L200 HydrophobicContact CG-CD1 3.88Å |
| 154 | G | 67.8 | Low | 67.6 | Low | 3 Ų | 3 | 57.3 Ų | 57.3 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | trans | -89.1 | -177.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F157 F158 L193 | G154-F157 WeakPolarHBondContact O-CA 3.49Å; G154-F157 PolarHBondContact O-N 2.98Å; G154-F158 PolarHBondContact N-O 2.98Å; G154-L193 WeakPolarHBondContact O-CD1 3.46Å | ||
| 155 | C | 61.7 | Low | 69.6 | Low | 66 Ų | 66 | 58.9 Ų | 58.9 | 45% | 0.446 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -58.8 | 147.2 | 168.9 | 60.5 | 0 | 0 | 0 | 0 | 110.5 | F157 F158 | C155-F157 PolarHBondContact O-N 2.77Å; C155-F157 VanDerWaalsContact O-N 3.16Å; C155-F158 WeakPolarHBondContact O-CD1 3.33Å; C155-F158 WeakPolarHBondContact O-CE1 3.48Å |
| 156 | K | 65.8 | Low | 71.4 | Confident | 160 Ų | 160 | 61.4 Ų | 61.4 | 70% | 0.696 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | 58.6 | 13.5 | -167 | -46 | 176.6 | -176.3 | 172.1 | 0 | 115.5 | F158 | K156-F158 PolarHBondContact O-N 2.69Š|
| 157 | F | 82.4 | Confident | 73.3 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 10% | 0.101 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | 64.4 | 24.3 | 174.9 | -38.2 | -77.3 | 0 | 0 | 0 | 116.8 | G154 C155 V180 C188 M191 L193 A196 | G154-F157 WeakPolarHBondContact O-CA 3.49Å; G154-F157 PolarHBondContact O-N 2.98Å; C155-F157 PolarHBondContact O-N 2.77Å; C155-F157 VanDerWaalsContact O-N 3.16Å; F157-V180 HydrophobicContact CB-CB 4.25Å; F157-V180 VanDerWaalsContact O-CB 3.29Å; F157-V180 WeakPolarHBondContact O-CB 3.18Å; F157-V180 WeakPolarHBondContact O-CG2 3.38Å; F157-V180 PolarHBondContact O-N 2.98Å; F157-C188 HydrophobicContact CB-CB 4.41Å; F157-C188 HydrophobicContact CD1-CB 4.35Å; F157-C188 HydrophobicContact CD2-CB 3.57Å; F157-C188 HydrophobicContact CE2-CB 3.82Å; F157-C188 WeakPolarHBondContact CE2-O 3.17Å; F157-C188 HydrophobicContact CG-CB 3.85Å; F157-C188 HydrophobicContact CZ-CB 4.3Å; F157-C188 WeakPolarHBondContact CZ-O 3.49Å; F157-M191 HydrophobicContact CZ-CB 4.19Å; F157-M191 WeakPolarHBondContact CZ-O 3.34Å; F157-L193 HydrophobicContact CD1-CD1 4.49Å; F157-A196 HydrophobicContact CD1-CB 3.62Å; F157-A196 HydrophobicContact CE1-CB 3.54Å |
| 158 | F | 84.5 | Confident | 74.1 | Confident | 58 Ų | 58 | 50.4 Ų | 50.4 | 25% | 0.254 | 25% | 0.252 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 148.1 | 164.5 | 68.1 | -91 | 0 | 0 | 0 | 110.6 | L153 G154 C155 K156 K160 D178 V179 | L153-F158 WeakPolarHBondContact CA-O 3.34Å; G154-F158 PolarHBondContact N-O 2.98Å; C155-F158 WeakPolarHBondContact O-CD1 3.33Å; C155-F158 WeakPolarHBondContact O-CE1 3.48Å; K156-F158 PolarHBondContact O-N 2.69Å; F158-K160 HydrophobicContact CD2-CB 4.38Å; F158-K160 HydrophobicContact CE2-CB 3.92Å; F158-K160 HydrophobicContact CE2-CG 4.21Å; F158-K160 PolarHBondContact O-N 3.32Å; F158-K160 VanDerWaalsContact O-N 3.15Å; F158-D178 CarbonylContact C-O 3.47Å; F158-D178 VanDerWaalsContact CA-O 3.3Å; F158-D178 WeakPolarHBondContact CA-O 3.23Å; F158-V179 HydrophobicContact CB-CG2 4.41Å |
| 159 | I | 84.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 110.6 | 168.1 | -64.3 | -174.4 | 0 | 0 | 0 | 107.6 | I151 V152 L153 I162 L174 E176 G177 D178 V180 L209 | I151-I159 HydrophobicContact CG2-CD1 4.13Å; I151-I159 HydrophobicContact CG2-CG1 4.07Å; I151-I159 HydrophobicContact CG2-CG2 4.22Å; V152-I159 WeakPolarHBondContact O-CA 3.35Å; L153-I159 HydrophobicContact CD2-CG1 4.48Å; I159-I162 HydrophobicContact CG2-CD1 3.88Å; I159-I162 HydrophobicContact CG2-CG1 3.43Å; I159-I162 VanDerWaalsContact CG2-CG1 3.43Å; I159-L174 HydrophobicContact CD1-CB 4.17Å; I159-L174 HydrophobicContact CD1-CD1 4.13Å; I159-L174 HydrophobicContact CD1-CD2 3.87Å; I159-L174 HydrophobicContact CD1-CG 4.29Å; I159-E176 CarbonylContact O-C 3.55Å; I159-E176 VanDerWaalsContact O-CA 3.31Å; I159-E176 WeakPolarHBondContact O-CA 3.49Å; I159-G177 PolarHBondContact O-N 3.21Å; I159-D178 HydrophobicContact CB-CB 4.3Å; I159-D178 HydrophobicContact CD1-CB 3.94Å; I159-D178 HydrophobicContact CG1-CB 4.09Å; I159-D178 PolarHBondContact N-O 3.48Å; I159-V180 HydrophobicContact CD1-CG2 4.31Å; I159-V180 HydrophobicContact CG1-CG2 3.78Å; I159-L209 HydrophobicContact CD1-CD1 4.42Å |
| 160 | K | 75.9 | Confident | 73.7 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -34.5 | -178 | -176 | -166.4 | -178.6 | -167.3 | 0 | 112 | V152 F158 G1343 E1344 | V152-K160 HydrophobicContact CB-CB 4.44Å; V152-K160 HydrophobicContact CG1-CB 4.29Å; V152-K160 HydrophobicContact CG1-CD 3.99Å; V152-K160 PolarHBondContact O-N 3.39Å; F158-K160 HydrophobicContact CD2-CB 4.38Å; F158-K160 HydrophobicContact CE2-CB 3.92Å; F158-K160 HydrophobicContact CE2-CG 4.21Å; F158-K160 PolarHBondContact O-N 3.32Å; F158-K160 VanDerWaalsContact O-N 3.15Å; K160-G1343 PolarHBondContact NZ-O 2.85Å; K160-E1344 IonicContact NZ-OE2 2.73Å; K160-E1344 PolarHBondContact NZ-OE2 3.1Å |
| 161 | D | 80.2 | Confident | 72.6 | Confident | 55 Ų | 55 | 65.9 Ų | 65.9 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 150.3 | -174.3 | 149.4 | 41.5 | 0 | 0 | 0 | 109 | V152 T163 | V152-D161 HydrophobicContact CB-CB 4.07Å; V152-D161 HydrophobicContact CG2-CB 4.17Å; V152-D161 WeakPolarHBondContact CG2-OD2 3.41Å; V152-D161 PolarHBondContact N-O 2.87Å; D161-T163 WeakPolarHBondContact OD1-CG2 3.42Å; D161-T163 PolarHBondContact OD1-N 3.05Å; D161-T163 VanDerWaalsContact OD1-N 3.09Å; D161-T163 WeakPolarHBondContact OD2-CG2 3.49Å |
| 162 | I | 79 | Confident | 71.5 | Confident | 12 Ų | 12 | 66 Ų | 66 | 6% | 0.062 | 32% | 0.323 | C | S | . | . | trans | -127.7 | 70.3 | 179.3 | -48.6 | 178.8 | 0 | 0 | 0 | 110.3 | G150 I159 N164 R165 L167 A168 L174 E176 | G150-I162 CarbonylContact O-C 3.59Å; I159-I162 HydrophobicContact CG2-CD1 3.88Å; I159-I162 HydrophobicContact CG2-CG1 3.43Å; I159-I162 VanDerWaalsContact CG2-CG1 3.43Å; I162-N164 CarbonylContact O-C 3.57Å; I162-N164 PolarHBondContact O-N 3.09Å; I162-R165 PolarHBondContact O-N 3.28Å; I162-L167 HydrophobicContact CG2-CB 3.79Å; I162-L167 HydrophobicContact CG2-CD1 4.27Å; I162-L167 HydrophobicContact CG2-CG 4.47Å; I162-A168 HydrophobicContact CD1-CB 4.48Å; I162-L174 VanDerWaalsContact CD1-C 3.46Å; I162-L174 HydrophobicContact CD1-CB 3.79Å; I162-L174 WeakPolarHBondContact CD1-O 3.28Å; I162-E176 HydrophobicContact CG1-CG 4.42Å | ||
| 163 | T | 73.7 | Confident | 71.3 | Confident | 97 Ų | 97 | 64.7 Ų | 64.7 | 60% | 0.595 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -51.2 | -21.2 | 178.1 | 62.9 | 0 | 0 | 0 | 0 | 115.1 | G150 D161 | G150-T163 WeakPolarHBondContact CA-OG1 3.48Å; G150-T163 PolarHBondContact O-N 2.92Å; D161-T163 WeakPolarHBondContact OD1-CG2 3.42Å; D161-T163 PolarHBondContact OD1-N 3.05Å; D161-T163 VanDerWaalsContact OD1-N 3.09Å; D161-T163 WeakPolarHBondContact OD2-CG2 3.49Å |
| 164 | N | 75.7 | Confident | 71.4 | Confident | 54 Ų | 54 | 64.7 Ų | 64.7 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -98.7 | 80.2 | 170 | -178.1 | 12.4 | 0 | 0 | 0 | 111.1 | F149 G150 I162 R166 L167 | F149-N164 WeakPolarHBondContact O-CB 3.31Å; F149-N164 PolarHBondContact O-ND2 3.35Å; G150-N164 PolarHBondContact O-N 3.44Å; I162-N164 CarbonylContact O-C 3.57Å; I162-N164 PolarHBondContact O-N 3.09Å; N164-R166 PolarHBondContact O-N 3.01Å; N164-L167 HydrophobicContact CB-CD1 4.25Å; N164-L167 HydrophobicContact CB-CG 4.22Å; N164-L167 WeakPolarHBondContact O-CB 3.4Å; N164-L167 WeakPolarHBondContact O-CG 3.46Å; N164-L167 PolarHBondContact O-N 3.34Å |
| 165 | R | 66.9 | Low | 72 | Confident | 143 Ų | 143 | 68.4 Ų | 68.4 | 54% | 0.54 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -47.2 | -27.4 | -177.4 | -67 | -169.5 | 179.8 | -171.1 | 14.1 | 115.3 | I162 L167 A168 E169 E1276 | I162-R165 PolarHBondContact O-N 3.28Å; R165-L167 PolarHBondContact O-N 2.75Å; R165-A168 WeakPolarHBondContact O-CA 3.42Å; R165-A168 PolarHBondContact O-N 2.72Å; R165-E169 WeakPolarHBondContact O-CG 3.44Å; R165-E169 PolarHBondContact O-N 3.13Å; R165-E1276 IonicContact CZ-OE1 3.44Å; R165-E1276 IonicContact CZ-OE2 2.71Å; R165-E1276 IonicContact NE-OE1 2.78Å; R165-E1276 IonicContact NE-OE2 3.58Å; R165-E1276 PolarHBondContact NE-OE2 3.25Å; R165-E1276 IonicContact NH2-OE1 2.67Å; R165-E1276 PolarHBondContact NH2-OE1 3.16Å; R165-E1276 IonicContact NH2-OE2 3.8Å; R165-E1276 PolarHBondContact NH2-OE2 2.89Å |
| 166 | R | 70.8 | Confident | 72.8 | Confident | 140 Ų | 140 | 69.9 Ų | 69.9 | 53% | 0.528 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -56.7 | -15.6 | 172.4 | -63.8 | -179.7 | 170.3 | -150.6 | -7.6 | 115.2 | N164 E169 | N164-R166 PolarHBondContact O-N 3.01Å; R166-E169 WeakPolarHBondContact CA-OE2 3.25Å |
| 167 | L | 70.3 | Confident | 73.3 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 9% | 0.094 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -85.1 | -25.9 | 174.5 | -58.1 | -173.1 | 0 | 0 | 0 | 112.9 | L124 F149 I151 I162 N164 R165 G173 L174 | L124-L167 HydrophobicContact CD1-CD1 3.74Å; L124-L167 HydrophobicContact CD1-CD2 3.74Å; L124-L167 HydrophobicContact CD1-CG 4.34Å; L124-L167 HydrophobicContact CD2-CD2 3.86Å; L124-L167 HydrophobicContact CG-CD2 4.25Å; F149-L167 VanDerWaalsContact O-CD1 3.27Å; F149-L167 WeakPolarHBondContact O-CD1 3.46Å; I151-L167 HydrophobicContact CD1-CD1 3.78Å; I151-L167 HydrophobicContact CG1-CD1 3.58Å; I162-L167 HydrophobicContact CG2-CB 3.79Å; I162-L167 HydrophobicContact CG2-CD1 4.27Å; I162-L167 HydrophobicContact CG2-CG 4.47Å; N164-L167 HydrophobicContact CB-CD1 4.25Å; N164-L167 HydrophobicContact CB-CG 4.22Å; N164-L167 WeakPolarHBondContact O-CB 3.4Å; N164-L167 WeakPolarHBondContact O-CG 3.46Å; N164-L167 PolarHBondContact O-N 3.34Å; R165-L167 PolarHBondContact O-N 2.75Å; L167-G173 WeakPolarHBondContact O-CA 3.43Å; L167-L174 HydrophobicContact CB-CD1 4.44Å; L167-L174 HydrophobicContact CD1-CD1 4.46Å; L167-L174 PolarHBondContact O-N 3.01Å |
| 168 | A | 60.2 | Low | 73.5 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 38% | 0.38 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -27.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I162 R165 K170 L174 | I162-A168 HydrophobicContact CD1-CB 4.48Å; R165-A168 WeakPolarHBondContact O-CA 3.42Å; R165-A168 PolarHBondContact O-N 2.72Å; A168-K170 PolarHBondContact O-N 2.92Å; A168-K170 VanDerWaalsContact O-O 3.14Å; A168-L174 WeakPolarHBondContact CA-O 3.5Å; A168-L174 WeakPolarHBondContact CB-O 3.4Å |
| 169 | E | 62.5 | Low | 73.5 | Confident | 144 Ų | 144 | 62.2 Ų | 62.2 | 67% | 0.673 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -65.6 | -14.6 | 177.5 | -73.6 | 165.4 | -164.9 | 0 | 0 | 115.2 | R165 R166 | R165-E169 WeakPolarHBondContact O-CG 3.44Å; R165-E169 PolarHBondContact O-N 3.13Å; R166-E169 WeakPolarHBondContact CA-OE2 3.25Å |
| 170 | K | 62.5 | Low | 73.7 | Confident | 144 Ų | 144 | 62.3 Ų | 62.3 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -80.2 | 165.8 | 172.9 | -72.8 | -168.8 | 174.5 | -172.7 | 0 | 110.6 | A168 P172 G173 | A168-K170 PolarHBondContact O-N 2.92Å; A168-K170 VanDerWaalsContact O-O 3.14Å; K170-P172 CarbonylContact O-C 3.56Å; K170-G173 WeakPolarHBondContact O-CA 3.41Å; K170-G173 PolarHBondContact O-N 2.99Å |
| 171 | D | 54.5 | Low | 74.2 | Confident | 116 Ų | 116 | 61.5 Ų | 61.5 | 62% | 0.62 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.9 | 115 | 175.3 | -141.4 | 30.1 | 0 | 0 | 0 | 110.2 | W223 | D171-W223 HydrophobicContact CB-CZ3 4.04Å; D171-W223 VanDerWaalsContact OD1-CH2 3.25Å; D171-W223 WeakPolarHBondContact OD1-CH2 3.31Å; D171-W223 WeakPolarHBondContact OD1-CZ3 3.47Å; D171-W223 WeakPolarHBondContact OD2-CZ3 3.29Å |
| 172 | P | 60.4 | Low | 74.7 | Confident | 20 Ų | 20 | 61.3 Ų | 61.3 | 13% | 0.13 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -68.2 | 123.2 | -6.9 | 27.9 | -32.3 | 0 | 0 | 0 | 111 | F122 K170 W223 T228 | F122-P172 WeakPolarHBondContact CE1-O 3.41Å; F122-P172 HydrophobicContact CZ-CB 4.46Å; F122-P172 WeakPolarHBondContact CZ-O 3.29Å; K170-P172 CarbonylContact O-C 3.56Å; P172-W223 HydrophobicContact CB-CE3 4.02Å; P172-W223 HydrophobicContact CB-CH2 3.62Å; P172-W223 HydrophobicContact CB-CZ2 4.31Å; P172-W223 HydrophobicContact CB-CZ3 3.46Å; P172-W223 VanDerWaalsContact CB-CZ3 3.46Å; P172-W223 HydrophobicContact CG-CE3 4.28Å; P172-W223 HydrophobicContact CG-CZ3 4.15Å; P172-T228 HydrophobicContact CG-CG2 3.95Å |
| 173 | G | 77.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 165.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F122 L167 K170 R213 | F122-G173 VanDerWaalsContact CE1-C 3.5Å; F122-G173 WeakPolarHBondContact CZ-O 3.39Å; L167-G173 WeakPolarHBondContact O-CA 3.43Å; K170-G173 WeakPolarHBondContact O-CA 3.41Å; K170-G173 PolarHBondContact O-N 2.99Å; G173-R213 PolarHBondContact O-NH1 3.15Å; G173-R213 PolarHBondContact O-NH2 3.03Å |
| 174 | L | 82 | Confident | 75.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 146.2 | 164 | -69.1 | 175.9 | 0 | 0 | 0 | 109 | F122 L124 I151 I159 I162 L167 A168 L209 I211 | F122-L174 HydrophobicContact CB-CD2 4.37Å; F122-L174 HydrophobicContact CD1-CD2 3.72Å; F122-L174 HydrophobicContact CD1-CG 3.71Å; F122-L174 HydrophobicContact CD2-CD2 3.51Å; F122-L174 HydrophobicContact CD2-CG 4.43Å; F122-L174 HydrophobicContact CE1-CD2 3.8Å; F122-L174 HydrophobicContact CE1-CG 3.77Å; F122-L174 HydrophobicContact CE2-CD2 3.63Å; F122-L174 HydrophobicContact CG-CD2 3.58Å; F122-L174 HydrophobicContact CG-CG 4.06Å; F122-L174 HydrophobicContact CZ-CD2 3.77Å; F122-L174 HydrophobicContact CZ-CG 4.19Å; L124-L174 HydrophobicContact CD1-CD1 3.95Å; I151-L174 HydrophobicContact CD1-CD1 3.7Å; I151-L174 HydrophobicContact CG1-CD1 4.47Å; I159-L174 HydrophobicContact CD1-CB 4.17Å; I159-L174 HydrophobicContact CD1-CD1 4.13Å; I159-L174 HydrophobicContact CD1-CD2 3.87Å; I159-L174 HydrophobicContact CD1-CG 4.29Å; I162-L174 VanDerWaalsContact CD1-C 3.46Å; I162-L174 HydrophobicContact CD1-CB 3.79Å; I162-L174 WeakPolarHBondContact CD1-O 3.28Å; L167-L174 HydrophobicContact CB-CD1 4.44Å; L167-L174 HydrophobicContact CD1-CD1 4.46Å; L167-L174 PolarHBondContact O-N 3.01Å; A168-L174 WeakPolarHBondContact CA-O 3.5Å; A168-L174 WeakPolarHBondContact CB-O 3.4Å; L174-L209 HydrophobicContact CD1-CD1 4Å; L174-L209 HydrophobicContact CD2-CD1 4.41Å; L174-I211 HydrophobicContact CD2-CD1 4.22Å; L174-I211 HydrophobicContact CD2-CG2 4.29Å |
| 175 | K | 81.3 | Confident | 76.1 | Confident | 81 Ų | 81 | 59.4 Ų | 59.4 | 35% | 0.352 | 31% | 0.305 | S | S | . | . | trans | -136.1 | 153.5 | 178.9 | -64.6 | -167.2 | 178 | -163 | 0 | 109.7 | D178 | K175-D178 PolarHBondContact N-OD2 3.37Å; K175-D178 VanDerWaalsContact O-CB 3.23Å; K175-D178 WeakPolarHBondContact O-CB 3.47Å; K175-D178 PolarHBondContact O-N 2.98Å; K175-D178 VanDerWaalsContact O-OD2 3.1Å | ||
| 176 | E | 77.9 | Confident | 76.9 | Confident | 97 Ų | 97 | 57.7 Ų | 57.7 | 45% | 0.453 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 144.6 | 170.5 | -67.8 | 174.4 | -164.4 | 0 | 0 | 110.6 | I159 I162 D178 | I159-E176 CarbonylContact O-C 3.55Å; I159-E176 VanDerWaalsContact O-CA 3.31Å; I159-E176 WeakPolarHBondContact O-CA 3.49Å; I162-E176 HydrophobicContact CG1-CG 4.42Å; E176-D178 VanDerWaalsContact C-N 3.32Å |
| 177 | G | 75.9 | Confident | 77.5 | Confident | 32 Ų | 32 | 52.2 Ų | 52.2 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -10.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I159 V179 | I159-G177 PolarHBondContact O-N 3.21Å; G177-V179 PolarHBondContact O-N 3Å |
| 178 | D | 86 | Confident | 77.9 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | trans | -60.7 | 115.8 | 172.7 | -75.9 | -20.8 | 0 | 0 | 0 | 111.1 | F158 I159 K175 E176 V180 I211 R213 | F158-D178 CarbonylContact C-O 3.47Å; F158-D178 VanDerWaalsContact CA-O 3.3Å; F158-D178 WeakPolarHBondContact CA-O 3.23Å; I159-D178 HydrophobicContact CB-CB 4.3Å; I159-D178 HydrophobicContact CD1-CB 3.94Å; I159-D178 HydrophobicContact CG1-CB 4.09Å; I159-D178 PolarHBondContact N-O 3.48Å; K175-D178 PolarHBondContact N-OD2 3.37Å; K175-D178 VanDerWaalsContact O-CB 3.23Å; K175-D178 WeakPolarHBondContact O-CB 3.47Å; K175-D178 PolarHBondContact O-N 2.98Å; K175-D178 VanDerWaalsContact O-OD2 3.1Å; E176-D178 VanDerWaalsContact C-N 3.32Å; D178-V180 PolarHBondContact O-N 3.27Å; D178-I211 HydrophobicContact CB-CB 4.22Å; D178-I211 HydrophobicContact CB-CD1 3.69Å; D178-I211 HydrophobicContact CB-CG2 4.28Å; D178-I211 WeakPolarHBondContact OD2-CD1 3.19Å; D178-R213 IonicContact OD1-CZ 2.9Å; D178-R213 VanDerWaalsContact OD1-CZ 3.25Å; D178-R213 IonicContact OD1-NE 3.26Å; D178-R213 PolarHBondContact OD1-NE 3.01Å; D178-R213 IonicContact OD1-NH2 3.51Å; D178-R213 PolarHBondContact OD1-NH2 2.96Å; D178-R213 IonicContact OD2-CZ 2.67Å; D178-R213 IonicContact OD2-NE 2.96Å; D178-R213 IonicContact OD2-NH2 3.56Å; D178-R213 PolarHBondContact OD2-NH2 3.11Å | ||
| 179 | V | 86.4 | Confident | 78.2 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 29% | 0.285 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 110.9 | -179 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | F158 G177 L181 I211 Q212 | F158-V179 HydrophobicContact CB-CG2 4.41Å; G177-V179 PolarHBondContact O-N 3Å; V179-L181 HydrophobicContact CG1-CD2 4.32Å; V179-L181 PolarHBondContact O-N 2.61Å; V179-I211 CarbonylContact O-C 3.58Å; V179-I211 WeakPolarHBondContact O-CA 3.4Å; V179-Q212 HydrophobicContact CB-CB 4.34Å; V179-Q212 PolarHBondContact N-O 3.45Å; V179-Q212 PolarHBondContact O-N 2.97Å |
| 180 | V | 87.2 | Confident | 78.3 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 109.1 | -178.5 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | L153 F157 I159 D178 I183 C188 L209 I211 | L153-V180 HydrophobicContact CD2-CB 4.38Å; L153-V180 HydrophobicContact CD2-CG2 3.73Å; F157-V180 HydrophobicContact CB-CB 4.25Å; F157-V180 VanDerWaalsContact O-CB 3.29Å; F157-V180 WeakPolarHBondContact O-CB 3.18Å; F157-V180 WeakPolarHBondContact O-CG2 3.38Å; F157-V180 PolarHBondContact O-N 2.98Å; I159-V180 HydrophobicContact CD1-CG2 4.31Å; I159-V180 HydrophobicContact CG1-CG2 3.78Å; D178-V180 PolarHBondContact O-N 3.27Å; V180-I183 HydrophobicContact CG1-CD1 4.38Å; V180-I183 HydrophobicContact CG1-CG1 3.71Å; V180-C188 WeakPolarHBondContact O-CB 3.25Å; V180-C188 PolarHBondContact O-SG 2.78Å; V180-C188 VanDerWaalsContact O-SG 3.37Å; V180-L209 HydrophobicContact CG1-CD2 3.95Å; V180-I211 HydrophobicContact CG2-CG2 4.1Å |
| 181 | L | 87.8 | Confident | 79 | Confident | 43 Ų | 43 | 47.1 Ų | 47.1 | 23% | 0.225 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -33.6 | 176 | -55.1 | -178.1 | 0 | 0 | 0 | 112.3 | T119 V179 C187 C188 V210 Q212 | T119-L181 HydrophobicContact CG2-CD1 4.25Å; V179-L181 HydrophobicContact CG1-CD2 4.32Å; V179-L181 PolarHBondContact O-N 2.61Å; L181-C187 PolarHBondContact O-SG 3.28Å; L181-C188 PolarHBondContact O-N 2.69Å; L181-V210 HydrophobicContact CB-CG1 4.5Å; L181-V210 PolarHBondContact N-O 3.07Å; L181-Q212 HydrophobicContact CD1-CB 4.14Å; L181-Q212 HydrophobicContact CD2-CB 4.35Å; L181-Q212 HydrophobicContact CG-CB 4.26Å |
| 182 | K | 89.9 | Confident | 80.2 | Confident | 50 Ų | 50 | 45 Ų | 45 | 22% | 0.217 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 143.3 | -179.5 | -55 | -167.5 | 176.8 | -166.6 | 0 | 113.5 | E186 C187 L209 V210 | K182-E186 CarbonylContact C-O 3.53Å; K182-E186 WeakPolarHBondContact CA-O 3.36Å; K182-E186 VanDerWaalsContact CB-O 3.24Å; K182-E186 WeakPolarHBondContact CB-O 3.47Å; K182-C187 HydrophobicContact CG-CB 4.42Å; K182-L209 WeakPolarHBondContact O-CA 3.48Å; K182-V210 HydrophobicContact CB-CB 3.93Å; K182-V210 HydrophobicContact CB-CG2 4.07Å; K182-V210 HydrophobicContact CD-CG2 4.43Å; K182-V210 HydrophobicContact CG-CB 4.21Å; K182-V210 HydrophobicContact CG-CG2 4.43Å; K182-V210 PolarHBondContact N-O 2.87Å; K182-V210 VanDerWaalsContact N-O 3.09Å; K182-V210 PolarHBondContact O-N 2.8Å |
| 183 | I | 89.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 120 | 172.4 | -56.4 | 174.4 | 0 | 0 | 0 | 108.2 | L153 V180 G185 E186 M191 A196 L199 L200 L207 L209 | L153-I183 HydrophobicContact CD1-CD1 3.85Å; V180-I183 HydrophobicContact CG1-CD1 4.38Å; V180-I183 HydrophobicContact CG1-CG1 3.71Å; I183-G185 PolarHBondContact O-N 2.83Å; I183-E186 PolarHBondContact N-O 3.36Å; I183-E186 WeakPolarHBondContact O-CB 3.17Å; I183-E186 PolarHBondContact O-N 3.4Å; I183-M191 HydrophobicContact CD1-CE 4.27Å; I183-A196 HydrophobicContact CD1-CB 3.99Å; I183-L199 HydrophobicContact CB-CB 4.14Å; I183-L199 HydrophobicContact CB-CD1 4.07Å; I183-L199 HydrophobicContact CD1-CB 4.46Å; I183-L199 HydrophobicContact CG2-CB 3.58Å; I183-L199 HydrophobicContact CG2-CD1 4.37Å; I183-L200 HydrophobicContact CD1-CD2 4.3Å; I183-L200 HydrophobicContact CD1-CG 4.34Å; I183-L200 HydrophobicContact CG2-CD2 4.04Å; I183-L207 HydrophobicContact CG2-CD1 3.79Å; I183-L209 HydrophobicContact CB-CD2 4.32Å; I183-L209 HydrophobicContact CG1-CD2 3.87Å; I183-L209 HydrophobicContact CG2-CD2 4.28Å |
| 184 | N | 88.3 | Confident | 80.7 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 7.1 | -173.5 | -70.1 | -29 | 0 | 0 | 0 | 117.1 | S203 L207 S208 | N184-S203 PolarHBondContact ND2-OG 3.42Å; N184-L207 WeakPolarHBondContact OD1-CA 3.4Å; N184-S208 PolarHBondContact N-O 2.92Å; N184-S208 PolarHBondContact OD1-N 3.31Å |
| 185 | G | 80.1 | Confident | 80.8 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 55% | 0.546 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.4 | -20.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I183 | I183-G185 PolarHBondContact O-N 2.83Š|
| 186 | E | 84.1 | Confident | 81 | Confident | 106 Ų | 106 | 51 Ų | 51 | 50% | 0.495 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 146.4 | 168 | -58.8 | -177.6 | -133.5 | 0 | 0 | 109.6 | K182 I183 L199 | K182-E186 CarbonylContact C-O 3.53Å; K182-E186 WeakPolarHBondContact CA-O 3.36Å; K182-E186 VanDerWaalsContact CB-O 3.24Å; K182-E186 WeakPolarHBondContact CB-O 3.47Å; I183-E186 PolarHBondContact N-O 3.36Å; I183-E186 WeakPolarHBondContact O-CB 3.17Å; I183-E186 PolarHBondContact O-N 3.4Å; E186-L199 HydrophobicContact CB-CD1 3.67Å; E186-L199 HydrophobicContact CG-CD1 4.22Å; E186-L199 WeakPolarHBondContact OE1-CD2 3.43Å |
| 187 | C | 83 | Confident | 81.2 | Confident | 26 Ų | 26 | 50.1 Ų | 50.1 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.6 | -167.6 | -158 | 0 | 0 | 0 | 0 | 112 | L181 K182 D189 R847 L851 | L181-C187 PolarHBondContact O-SG 3.28Å; K182-C187 HydrophobicContact CG-CB 4.42Å; C187-D189 PolarHBondContact SG-OD1 3.26Å; C187-R847 PolarHBondContact O-NH2 2.83Å; C187-L851 HydrophobicContact CB-CD1 4.33Å; C187-L851 HydrophobicContact CB-CD2 3.64Å |
| 188 | C | 78.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -76.7 | -35.9 | -162.3 | -62.2 | 0 | 0 | 0 | 0 | 115.2 | F157 V180 L181 Q190 M191 | F157-C188 HydrophobicContact CB-CB 4.41Å; F157-C188 HydrophobicContact CD1-CB 4.35Å; F157-C188 HydrophobicContact CD2-CB 3.57Å; F157-C188 HydrophobicContact CE2-CB 3.82Å; F157-C188 WeakPolarHBondContact CE2-O 3.17Å; F157-C188 HydrophobicContact CG-CB 3.85Å; F157-C188 HydrophobicContact CZ-CB 4.3Å; F157-C188 WeakPolarHBondContact CZ-O 3.49Å; V180-C188 WeakPolarHBondContact O-CB 3.25Å; V180-C188 PolarHBondContact O-SG 2.78Å; V180-C188 VanDerWaalsContact O-SG 3.37Å; L181-C188 PolarHBondContact O-N 2.69Å; C188-Q190 PolarHBondContact O-N 2.98Å; C188-M191 HydrophobicContact CB-CE 4.1Å; C188-M191 WeakPolarHBondContact O-CB 3.48Å; C188-M191 PolarHBondContact O-N 3.35Å | ||
| 189 | D | 67.1 | Low | 81.6 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 15.9 | -164 | 25.7 | -64.6 | 0 | 0 | 0 | 119.3 | C187 R847 | C187-D189 PolarHBondContact SG-OD1 3.26Å; D189-R847 VanDerWaalsContact C-CZ 3.45Å; D189-R847 VanDerWaalsContact CG-NH1 3.31Å; D189-R847 PolarHBondContact O-NH1 2.86Å; D189-R847 IonicContact OD1-NH2 3.17Å; D189-R847 IonicContact OD2-CZ 3.96Å; D189-R847 IonicContact OD2-NH1 2.63Å; D189-R847 PolarHBondContact OD2-NH1 3.43Å; D189-R847 IonicContact OD2-NH2 3.95Å; D189-R847 PolarHBondContact OD2-NH2 2.81Å |
| 190 | Q | 64.7 | Low | 81.6 | Confident | 117 Ų | 117 | 52.7 Ų | 52.7 | 55% | 0.547 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.5 | 0.3 | 158.7 | -98.8 | -173.3 | -18.6 | 0 | 0 | 112.8 | C188 E845 R847 | C188-Q190 PolarHBondContact O-N 2.98Å; Q190-E845 PolarHBondContact NE2-OE2 3.48Å; Q190-R847 VanDerWaalsContact CD-CD 3.5Å; Q190-R847 VanDerWaalsContact N-CZ 3.33Å |
| 191 | M | 76.5 | Confident | 81.3 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 17% | 0.167 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -68.5 | 157.1 | 176.8 | -169.4 | 159.9 | 46.1 | 0 | 0 | 109.5 | F157 I183 C188 E195 A196 L199 | F157-M191 HydrophobicContact CZ-CB 4.19Å; F157-M191 WeakPolarHBondContact CZ-O 3.34Å; I183-M191 HydrophobicContact CD1-CE 4.27Å; C188-M191 HydrophobicContact CB-CE 4.1Å; C188-M191 WeakPolarHBondContact O-CB 3.48Å; C188-M191 PolarHBondContact O-N 3.35Å; M191-E195 HydrophobicContact CG-CB 3.32Å; M191-E195 HydrophobicContact SD-CB 3.9Å; M191-A196 HydrophobicContact CE-CB 3.62Å; M191-A196 HydrophobicContact CG-CB 4.46Å; M191-A196 HydrophobicContact SD-CB 4.25Å; M191-L199 HydrophobicContact CE-CD1 3.86Å; M191-L199 HydrophobicContact SD-CD1 3.55Å; M191-L199 VanDerWaalsContact SD-CD1 3.55Å; M191-L199 HydrophobicContact SD-CG 4.05Å |
| 192 | T | 79.4 | Confident | 81 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 43% | 0.429 | 31% | 0.31 | S | S | . | . | trans | -81.6 | 156.7 | 165.1 | 60.7 | 0 | 0 | 0 | 0 | 110.8 | L194 E195 A196 | T192-L194 PolarHBondContact O-N 2.87Å; T192-E195 WeakPolarHBondContact CB-OE2 3.26Å; T192-E195 WeakPolarHBondContact CG2-OE2 3.39Å; T192-E195 PolarHBondContact N-OE2 2.89Å; T192-E195 PolarHBondContact O-N 3.31Å; T192-E195 WeakPolarHBondContact OG1-CB 3.4Å; T192-E195 VanDerWaalsContact OG1-CD 3.22Å; T192-E195 VanDerWaalsContact OG1-CG 3.27Å; T192-E195 WeakPolarHBondContact OG1-CG 3.5Å; T192-E195 PolarHBondContact OG1-N 3.45Å; T192-E195 VanDerWaalsContact OG1-N 3.13Å; T192-E195 PolarHBondContact OG1-OE2 2.98Å; T192-A196 PolarHBondContact O-N 3.19Å | ||
| 193 | L | 72.9 | Confident | 80.4 | Confident | 50 Ų | 50 | 60.2 Ų | 60.2 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57 | -33.2 | 172.4 | -176.9 | 58.6 | 0 | 0 | 0 | 111.7 | L153 G154 F157 A196 R197 | L153-L193 HydrophobicContact CB-CD1 3.79Å; G154-L193 WeakPolarHBondContact O-CD1 3.46Å; F157-L193 HydrophobicContact CD1-CD1 4.49Å; L193-A196 PolarHBondContact O-N 2.85Å; L193-R197 WeakPolarHBondContact O-CG 3.45Å; L193-R197 PolarHBondContact O-N 3.11Å |
| 194 | L | 76.7 | Confident | 79.5 | Confident | 100 Ų | 100 | 67.4 Ų | 67.4 | 52% | 0.524 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 174.9 | -178.9 | 61.9 | 0 | 0 | 0 | 112.6 | T192 R198 | T192-L194 PolarHBondContact O-N 2.87Å; L194-R198 WeakPolarHBondContact O-CD 3.28Å; L194-R198 VanDerWaalsContact O-CG 3.22Å; L194-R198 WeakPolarHBondContact O-CG 3.21Å; L194-R198 PolarHBondContact O-N 2.9Å |
| 195 | E | 84.6 | Confident | 78.8 | Confident | 79 Ų | 79 | 69.4 Ų | 69.4 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -73.5 | -36.9 | 175.3 | -73.3 | 159.1 | 143.9 | 0 | 0 | 112.4 | M191 T192 R197 R198 L199 | M191-E195 HydrophobicContact CG-CB 3.32Å; M191-E195 HydrophobicContact SD-CB 3.9Å; T192-E195 WeakPolarHBondContact CB-OE2 3.26Å; T192-E195 WeakPolarHBondContact CG2-OE2 3.39Å; T192-E195 PolarHBondContact N-OE2 2.89Å; T192-E195 PolarHBondContact O-N 3.31Å; T192-E195 WeakPolarHBondContact OG1-CB 3.4Å; T192-E195 VanDerWaalsContact OG1-CD 3.22Å; T192-E195 VanDerWaalsContact OG1-CG 3.27Å; T192-E195 WeakPolarHBondContact OG1-CG 3.5Å; T192-E195 PolarHBondContact OG1-N 3.45Å; T192-E195 VanDerWaalsContact OG1-N 3.13Å; T192-E195 PolarHBondContact OG1-OE2 2.98Å; E195-R197 PolarHBondContact O-N 3.14Å; E195-R198 CarbonylContact O-C 3.58Å; E195-R198 WeakPolarHBondContact O-CB 3.34Å; E195-R198 PolarHBondContact O-N 3.19Å; E195-L199 WeakPolarHBondContact O-CG 3.42Å; E195-L199 PolarHBondContact O-N 3.12Å |
| 196 | A | 84.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L153 F157 I183 M191 T192 L193 L199 L200 | L153-A196 HydrophobicContact CD1-CB 3.73Å; F157-A196 HydrophobicContact CD1-CB 3.62Å; F157-A196 HydrophobicContact CE1-CB 3.54Å; I183-A196 HydrophobicContact CD1-CB 3.99Å; M191-A196 HydrophobicContact CE-CB 3.62Å; M191-A196 HydrophobicContact CG-CB 4.46Å; M191-A196 HydrophobicContact SD-CB 4.25Å; T192-A196 PolarHBondContact O-N 3.19Å; L193-A196 PolarHBondContact O-N 2.85Å; A196-L199 PolarHBondContact O-N 2.87Å; A196-L200 PolarHBondContact O-N 3.27Å |
| 197 | R | 82.1 | Confident | 79 | Confident | 78 Ų | 78 | 69.7 Ų | 69.7 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.4 | -52.8 | 168.7 | -72.9 | 178.1 | -179 | -92.1 | 10.2 | 110.6 | L193 E195 L199 L200 D201 E1344 | L193-R197 WeakPolarHBondContact O-CG 3.45Å; L193-R197 PolarHBondContact O-N 3.11Å; E195-R197 PolarHBondContact O-N 3.14Å; R197-L199 PolarHBondContact O-N 3.11Å; R197-L200 CarbonylContact O-C 3.18Å; R197-L200 WeakPolarHBondContact O-CA 3.29Å; R197-L200 WeakPolarHBondContact O-CB 3.42Å; R197-L200 PolarHBondContact O-N 2.99Å; R197-D201 PolarHBondContact O-N 2.71Å; R197-E1344 IonicContact CZ-OE1 3.66Å; R197-E1344 IonicContact NE-OE1 3.52Å; R197-E1344 VanDerWaalsContact NH2-CD 3.27Å; R197-E1344 IonicContact NH2-OE1 3.95Å; R197-E1344 PolarHBondContact NH2-OE1 2.89Å; R197-E1344 IonicContact NH2-OE2 2.74Å; R197-E1344 PolarHBondContact NH2-OE2 2.67Å |
| 198 | R | 84.3 | Confident | 79.2 | Confident | 114 Ų | 114 | 69.4 Ų | 69.4 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -52.6 | -29.7 | 175.4 | -71.4 | 163.1 | 177 | 167.9 | -1.7 | 114.4 | L194 E195 D201 R202 | L194-R198 WeakPolarHBondContact O-CD 3.28Å; L194-R198 VanDerWaalsContact O-CG 3.22Å; L194-R198 WeakPolarHBondContact O-CG 3.21Å; L194-R198 PolarHBondContact O-N 2.9Å; E195-R198 CarbonylContact O-C 3.58Å; E195-R198 WeakPolarHBondContact O-CB 3.34Å; E195-R198 PolarHBondContact O-N 3.19Å; R198-D201 WeakPolarHBondContact CA-OD2 3.35Å; R198-D201 PolarHBondContact N-OD2 2.71Å; R198-R202 VanDerWaalsContact O-CB 3.32Å; R198-R202 WeakPolarHBondContact O-CB 3.41Å; R198-R202 VanDerWaalsContact O-CD 3.26Å; R198-R202 WeakPolarHBondContact O-CD 3.32Å; R198-R202 WeakPolarHBondContact O-CG 3.45Å; R198-R202 PolarHBondContact O-N 2.91Å |
| 199 | L | 86.2 | Confident | 79.7 | Confident | 6 Ų | 6 | 69.4 Ų | 69.4 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -76 | -33.8 | 173.9 | -65.9 | -169.6 | 0 | 0 | 0 | 113.3 | I183 E186 M191 E195 A196 R197 S203 | I183-L199 HydrophobicContact CB-CB 4.14Å; I183-L199 HydrophobicContact CB-CD1 4.07Å; I183-L199 HydrophobicContact CD1-CB 4.46Å; I183-L199 HydrophobicContact CG2-CB 3.58Å; I183-L199 HydrophobicContact CG2-CD1 4.37Å; E186-L199 HydrophobicContact CB-CD1 3.67Å; E186-L199 HydrophobicContact CG-CD1 4.22Å; E186-L199 WeakPolarHBondContact OE1-CD2 3.43Å; M191-L199 HydrophobicContact CE-CD1 3.86Å; M191-L199 HydrophobicContact SD-CD1 3.55Å; M191-L199 VanDerWaalsContact SD-CD1 3.55Å; M191-L199 HydrophobicContact SD-CG 4.05Å; E195-L199 WeakPolarHBondContact O-CG 3.42Å; E195-L199 PolarHBondContact O-N 3.12Å; A196-L199 PolarHBondContact O-N 2.87Å; R197-L199 PolarHBondContact O-N 3.11Å; L199-S203 PolarHBondContact O-N 2.93Å; L199-S203 PolarHBondContact O-OG 3.41Å |
| 200 | L | 86.5 | Confident | 80.6 | Confident | 14 Ų | 14 | 66.4 Ų | 66.4 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.5 | -49.9 | 168.1 | -60.7 | 177 | 0 | 0 | 0 | 110.1 | L153 I183 A196 R197 R202 S203 L207 L209 | L153-L200 HydrophobicContact CD1-CD1 3.82Å; L153-L200 HydrophobicContact CD1-CG 4.49Å; L153-L200 HydrophobicContact CG-CD1 3.88Å; I183-L200 HydrophobicContact CD1-CD2 4.3Å; I183-L200 HydrophobicContact CD1-CG 4.34Å; I183-L200 HydrophobicContact CG2-CD2 4.04Å; A196-L200 PolarHBondContact O-N 3.27Å; R197-L200 CarbonylContact O-C 3.18Å; R197-L200 WeakPolarHBondContact O-CA 3.29Å; R197-L200 WeakPolarHBondContact O-CB 3.42Å; R197-L200 PolarHBondContact O-N 2.99Å; L200-R202 VanDerWaalsContact C-N 3.26Å; L200-R202 PolarHBondContact O-N 2.92Å; L200-S203 WeakPolarHBondContact O-CA 3.02Å; L200-S203 WeakPolarHBondContact O-CB 3.43Å; L200-S203 PolarHBondContact O-N 3.16Å; L200-S203 PolarHBondContact O-OG 2.92Å; L200-L207 HydrophobicContact CD2-CD1 3.87Å; L200-L207 HydrophobicContact CD2-CD2 3.65Å; L200-L207 HydrophobicContact CD2-CG 4.44Å; L200-L209 HydrophobicContact CD2-CD2 4.39Å |
| 201 | D | 80.5 | Confident | 81.8 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.1 | -32.4 | -179.8 | -40.9 | -21.7 | 0 | 0 | 0 | 112.5 | R197 R198 S203 | R197-D201 PolarHBondContact O-N 2.71Å; R198-D201 WeakPolarHBondContact CA-OD2 3.35Å; R198-D201 PolarHBondContact N-OD2 2.71Å; D201-S203 PolarHBondContact O-N 3.45Å |
| 202 | R | 81.3 | Confident | 82.1 | Confident | 167 Ų | 167 | 61.4 Ų | 61.4 | 63% | 0.63 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -18.4 | 172.9 | -78.5 | 165.7 | -176.3 | 178 | 2.3 | 113.1 | R198 L200 K204 | R198-R202 VanDerWaalsContact O-CB 3.32Å; R198-R202 WeakPolarHBondContact O-CB 3.41Å; R198-R202 VanDerWaalsContact O-CD 3.26Å; R198-R202 WeakPolarHBondContact O-CD 3.32Å; R198-R202 WeakPolarHBondContact O-CG 3.45Å; R198-R202 PolarHBondContact O-N 2.91Å; L200-R202 VanDerWaalsContact C-N 3.26Å; L200-R202 PolarHBondContact O-N 2.92Å; R202-K204 PolarHBondContact O-N 3.1Å; R202-K204 VanDerWaalsContact O-N 3.13Å |
| 203 | S | 77.5 | Confident | 82.2 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | trans | -81.6 | 88.3 | -176.5 | -56.6 | 0 | 0 | 0 | 0 | 111 | F149 N184 L199 L200 D201 | F149-S203 VanDerWaalsContact CE2-O 3.22Å; F149-S203 WeakPolarHBondContact CE2-O 3.23Å; N184-S203 PolarHBondContact ND2-OG 3.42Å; L199-S203 PolarHBondContact O-N 2.93Å; L199-S203 PolarHBondContact O-OG 3.41Å; L200-S203 WeakPolarHBondContact O-CA 3.02Å; L200-S203 WeakPolarHBondContact O-CB 3.43Å; L200-S203 PolarHBondContact O-N 3.16Å; L200-S203 PolarHBondContact O-OG 2.92Å; D201-S203 PolarHBondContact O-N 3.45Å | ||
| 204 | K | 71.7 | Confident | 82 | Confident | 151 Ų | 151 | 60.4 Ų | 60.4 | 66% | 0.657 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -77.5 | -48.3 | -174.7 | -64.3 | -172.1 | 178.5 | -175.3 | 0 | 114.6 | K126 R202 | K126-K204 WeakPolarHBondContact CD-O 3.38Å; R202-K204 PolarHBondContact O-N 3.1Å; R202-K204 VanDerWaalsContact O-N 3.13Å |
| 205 | D | 74.4 | Confident | 81.4 | Confident | 113 Ų | 113 | 56.6 Ų | 56.6 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -118.7 | -28.6 | -172.1 | -56.9 | -72 | 0 | 0 | 0 | 113.4 | T125 K126 | T125-D205 WeakPolarHBondContact CA-O 3.38Å; K126-D205 PolarHBondContact N-O 2.99Å |
| 206 | R | 80.7 | Confident | 79.6 | Confident | 166 Ų | 166 | 55 Ų | 55 | 63% | 0.626 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 135 | 179.3 | -164.1 | 179.3 | 76.3 | 176.2 | 2.1 | 110.9 | T123 L124 T125 | T123-R206 HydrophobicContact CG2-CG 3.88Å; L124-R206 CarbonylContact O-C 3.6Å; L124-R206 VanDerWaalsContact O-CA 3.27Å; L124-R206 WeakPolarHBondContact O-CA 3.25Å; L124-R206 VanDerWaalsContact O-CG 3.3Å; L124-R206 WeakPolarHBondContact O-CG 3.22Å; T125-R206 HydrophobicContact CG2-CG 4.07Å |
| 207 | L | 87 | Confident | 77.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126.3 | 173.8 | 168.4 | 59.3 | 0 | 0 | 0 | 108.7 | T123 L124 F149 I151 I183 N184 L200 L209 | T123-L207 WeakPolarHBondContact CA-O 3.15Å; L124-L207 HydrophobicContact CB-CB 4.41Å; L124-L207 HydrophobicContact CD1-CD2 4.24Å; L124-L207 PolarHBondContact N-O 2.87Å; L124-L207 PolarHBondContact O-N 2.68Å; F149-L207 HydrophobicContact CB-CD2 3.73Å; F149-L207 HydrophobicContact CD1-CB 4.09Å; F149-L207 HydrophobicContact CD1-CD2 4.33Å; F149-L207 HydrophobicContact CD2-CB 3.55Å; F149-L207 HydrophobicContact CD2-CD2 3.85Å; F149-L207 HydrophobicContact CD2-CG 4.34Å; F149-L207 HydrophobicContact CE1-CB 4.03Å; F149-L207 HydrophobicContact CE2-CB 3.47Å; F149-L207 VanDerWaalsContact CE2-CB 3.47Å; F149-L207 HydrophobicContact CG-CB 3.87Å; F149-L207 HydrophobicContact CG-CD2 3.68Å; F149-L207 HydrophobicContact CG-CG 4.43Å; F149-L207 HydrophobicContact CZ-CB 3.72Å; I151-L207 HydrophobicContact CD1-CD2 3.86Å; I183-L207 HydrophobicContact CG2-CD1 3.79Å; N184-L207 WeakPolarHBondContact OD1-CA 3.4Å; L200-L207 HydrophobicContact CD2-CD1 3.87Å; L200-L207 HydrophobicContact CD2-CD2 3.65Å; L200-L207 HydrophobicContact CD2-CG 4.44Å; L207-L209 HydrophobicContact CD1-CD2 3.77Å; L207-L209 HydrophobicContact CD1-CG 4.31Å; L207-L209 HydrophobicContact CD2-CD2 4.4Å; L207-L209 HydrophobicContact CD2-CG 4.41Å; L207-L209 HydrophobicContact CG-CD2 4.19Å; L207-L209 HydrophobicContact CG-CG 4.2Å |
| 208 | S | 86.9 | Confident | 76.1 | Confident | 19 Ų | 19 | 58.1 Ų | 58.1 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.8 | 169.1 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | F122 T123 N184 | F122-S208 VanDerWaalsContact O-CA 3.3Å; F122-S208 WeakPolarHBondContact O-CA 3.25Å; F122-S208 PolarHBondContact O-OG 3.34Å; T123-S208 PolarHBondContact OG1-OG 3.42Å; N184-S208 PolarHBondContact N-O 2.92Å; N184-S208 PolarHBondContact OD1-N 3.31Å |
| 209 | L | 88.4 | Confident | 74 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 145.5 | 172.2 | -60.9 | -177.4 | 0 | 0 | 0 | 110.2 | K121 F122 I151 I159 L174 V180 K182 I183 L200 L207 I211 | K121-L209 WeakPolarHBondContact CA-O 3.22Å; F122-L209 HydrophobicContact CB-CB 4.33Å; F122-L209 PolarHBondContact N-O 3.48Å; F122-L209 PolarHBondContact O-N 2.68Å; F122-L209 VanDerWaalsContact O-N 3.12Å; I151-L209 HydrophobicContact CD1-CD1 3.8Å; I159-L209 HydrophobicContact CD1-CD1 4.42Å; L174-L209 HydrophobicContact CD1-CD1 4Å; L174-L209 HydrophobicContact CD2-CD1 4.41Å; V180-L209 HydrophobicContact CG1-CD2 3.95Å; K182-L209 WeakPolarHBondContact O-CA 3.48Å; I183-L209 HydrophobicContact CB-CD2 4.32Å; I183-L209 HydrophobicContact CG1-CD2 3.87Å; I183-L209 HydrophobicContact CG2-CD2 4.28Å; L200-L209 HydrophobicContact CD2-CD2 4.39Å; L207-L209 HydrophobicContact CD1-CD2 3.77Å; L207-L209 HydrophobicContact CD1-CG 4.31Å; L207-L209 HydrophobicContact CD2-CD2 4.4Å; L207-L209 HydrophobicContact CD2-CG 4.41Å; L207-L209 HydrophobicContact CG-CD2 4.19Å; L207-L209 HydrophobicContact CG-CG 4.2Å; L209-I211 HydrophobicContact CB-CG2 4.23Å |
| 210 | V | 86.5 | Confident | 71.7 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.7 | 157.4 | -177.3 | 0 | 0 | 0 | 0 | 106.4 | T119 L120 K121 L181 K182 | T119-V210 HydrophobicContact CG2-CG1 3.53Å; L120-V210 WeakPolarHBondContact O-CA 3.44Å; K121-V210 HydrophobicContact CG-CG2 4.24Å; L181-V210 HydrophobicContact CB-CG1 4.5Å; L181-V210 PolarHBondContact N-O 3.07Å; K182-V210 HydrophobicContact CB-CB 3.93Å; K182-V210 HydrophobicContact CB-CG2 4.07Å; K182-V210 HydrophobicContact CD-CG2 4.43Å; K182-V210 HydrophobicContact CG-CB 4.21Å; K182-V210 HydrophobicContact CG-CG2 4.43Å; K182-V210 PolarHBondContact N-O 2.87Å; K182-V210 VanDerWaalsContact N-O 3.09Å; K182-V210 PolarHBondContact O-N 2.8Å |
| 211 | I | 88.6 | Confident | 69.4 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 163.4 | -176.7 | 64.4 | 158.9 | 0 | 0 | 0 | 111.2 | T119 L120 F122 L174 D178 V179 V180 L209 | T119-I211 CarbonylContact C-O 3.47Å; T119-I211 VanDerWaalsContact CA-O 3.27Å; T119-I211 WeakPolarHBondContact CA-O 3.16Å; T119-I211 WeakPolarHBondContact CG2-O 3.35Å; L120-I211 HydrophobicContact CB-CD1 4.03Å; L120-I211 HydrophobicContact CB-CG1 3.73Å; L120-I211 HydrophobicContact CD1-CD1 4.24Å; L120-I211 PolarHBondContact N-O 3.24Å; L120-I211 WeakPolarHBondContact O-CG1 3.45Å; L120-I211 PolarHBondContact O-N 3.11Å; F122-I211 HydrophobicContact CD2-CD1 4.23Å; F122-I211 HydrophobicContact CD2-CG1 4.19Å; F122-I211 HydrophobicContact CE2-CD1 3.63Å; F122-I211 HydrophobicContact CE2-CG1 3.99Å; F122-I211 HydrophobicContact CZ-CD1 4.48Å; L174-I211 HydrophobicContact CD2-CD1 4.22Å; L174-I211 HydrophobicContact CD2-CG2 4.29Å; D178-I211 HydrophobicContact CB-CB 4.22Å; D178-I211 HydrophobicContact CB-CD1 3.69Å; D178-I211 HydrophobicContact CB-CG2 4.28Å; D178-I211 WeakPolarHBondContact OD2-CD1 3.19Å; V179-I211 CarbonylContact O-C 3.58Å; V179-I211 WeakPolarHBondContact O-CA 3.4Å; V180-I211 HydrophobicContact CG2-CG2 4.1Å; L209-I211 HydrophobicContact CB-CG2 4.23Å |
| 212 | Q | 83.5 | Confident | 67.1 | Low | 47 Ų | 47 | 71.5 Ų | 71.5 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.8 | 164.7 | 173.6 | 171.1 | -45.5 | 0 | 0 | 109.2 | R118 V179 L181 | R118-Q212 WeakPolarHBondContact O-CA 3.5Å; V179-Q212 HydrophobicContact CB-CB 4.34Å; V179-Q212 PolarHBondContact N-O 3.45Å; V179-Q212 PolarHBondContact O-N 2.97Å; L181-Q212 HydrophobicContact CD1-CB 4.14Å; L181-Q212 HydrophobicContact CD2-CB 4.35Å; L181-Q212 HydrophobicContact CG-CB 4.26Å |
| 213 | R | 82.6 | Confident | 65.1 | Low | 26 Ų | 26 | 66.3 Ų | 66.3 | 10% | 0.098 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 131.1 | 177.8 | 179.6 | -178.4 | -64.7 | 167.6 | 2.4 | 109.4 | R118 L120 G173 D178 V215 | R118-R213 PolarHBondContact N-O 3.46Å; R118-R213 PolarHBondContact O-N 2.84Å; L120-R213 HydrophobicContact CD1-CB 4.46Å; G173-R213 PolarHBondContact O-NH1 3.15Å; G173-R213 PolarHBondContact O-NH2 3.03Å; D178-R213 IonicContact OD1-CZ 2.9Å; D178-R213 VanDerWaalsContact OD1-CZ 3.25Å; D178-R213 IonicContact OD1-NE 3.26Å; D178-R213 PolarHBondContact OD1-NE 3.01Å; D178-R213 IonicContact OD1-NH2 3.51Å; D178-R213 PolarHBondContact OD1-NH2 2.96Å; D178-R213 IonicContact OD2-CZ 2.67Å; D178-R213 IonicContact OD2-NE 2.96Å; D178-R213 IonicContact OD2-NH2 3.56Å; D178-R213 PolarHBondContact OD2-NH2 3.11Å; R213-V215 HydrophobicContact CG-CG2 4.12Å |
| 214 | D | 67.2 | Low | 62.8 | Low | 73 Ų | 73 | 70.3 Ų | 70.3 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 127.7 | 168.9 | -64.8 | -79.6 | 0 | 0 | 0 | 109.6 | Y115 Q117 | Y115-D214 HydrophobicContact CD1-CB 4.01Å; Y115-D214 HydrophobicContact CG-CB 4.38Å; Q117-D214 WeakPolarHBondContact CG-OD1 3.33Å; Q117-D214 PolarHBondContact NE2-OD1 3.35Å |
| 215 | V | 63.6 | Low | 60.7 | Low | 19 Ų | 19 | 65 Ų | 65 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 124.2 | -175.5 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | D116 R118 R213 R217 | D116-V215 PolarHBondContact N-O 3.11Å; D116-V215 PolarHBondContact O-N 2.96Å; R118-V215 HydrophobicContact CB-CG2 4.39Å; R118-V215 HydrophobicContact CG-CB 4.48Å; R118-V215 HydrophobicContact CG-CG2 4.04Å; R213-V215 HydrophobicContact CG-CG2 4.12Å; V215-R217 PolarHBondContact O-N 3.35Å |
| 216 | P | 48.2 | Very low | 58.5 | Low | 47 Ų | 47 | 69 Ų | 69 | 31% | 0.305 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 129.2 | 179.1 | -25 | 32.6 | 0 | 0 | 0 | 112.6 | Y115 G218 A219 | Y115-P216 HydrophobicContact CD1-CG 4.09Å; Y115-P216 HydrophobicContact CE1-CG 3.74Å; P216-G218 PolarHBondContact O-N 3.2Å; P216-A219 HydrophobicContact CB-CB 4.42Å; P216-A219 WeakPolarHBondContact O-CB 3.25Å; P216-A219 PolarHBondContact O-N 3Å |
| 217 | R | 48 | Very low | 56 | Low | 70 Ų | 70 | 65.4 Ų | 65.4 | 26% | 0.264 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 125.7 | 174.7 | -74.7 | -169.3 | 174.1 | 162.3 | 4.5 | 109.7 | E114 D116 V215 | E114-R217 HydrophobicContact CB-CB 4.32Å; E114-R217 HydrophobicContact CB-CG 4.13Å; E114-R217 WeakPolarHBondContact O-CB 3.49Å; E114-R217 WeakPolarHBondContact O-CG 3.38Å; E114-R217 PolarHBondContact O-N 3.18Å; E114-R217 IonicContact OE1-NH1 3.28Å; E114-R217 PolarHBondContact OE1-NH1 3.34Å; E114-R217 VanDerWaalsContact OE2-CD 3.3Å; E114-R217 WeakPolarHBondContact OE2-CD 3.49Å; E114-R217 IonicContact OE2-CZ 3.74Å; E114-R217 IonicContact OE2-NE 2.78Å; E114-R217 IonicContact OE2-NH1 2.78Å; E114-R217 PolarHBondContact OE2-NH1 2.98Å; D116-R217 HydrophobicContact CB-CG 4.2Å; D116-R217 IonicContact OD1-CZ 3.49Å; D116-R217 IonicContact OD1-NE 2.62Å; D116-R217 PolarHBondContact OD1-NE 2.79Å; D116-R217 IonicContact OD1-NH2 3.78Å; D116-R217 PolarHBondContact OD1-NH2 3.45Å; D116-R217 IonicContact OD2-NE 3.18Å; D116-R217 PolarHBondContact OD2-NE 3.39Å; V215-R217 PolarHBondContact O-N 3.35Å |
| 218 | G | 43.7 | Very low | 53.3 | Low | 72 Ų | 72 | 67.3 Ų | 67.3 | 74% | 0.742 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.7 | -7.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | P216 S220 | P216-G218 PolarHBondContact O-N 3.2Å; G218-S220 PolarHBondContact O-N 2.99Å |
| 219 | A | 41.4 | Very low | 50.4 | Low | 37 Ų | 37 | 73.5 Ų | 73.5 | 31% | 0.306 | 41% | 0.411 | S | S | . | . | trans | -62 | 107 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P216 W221 | P216-A219 HydrophobicContact CB-CB 4.42Å; P216-A219 WeakPolarHBondContact O-CB 3.25Å; P216-A219 PolarHBondContact O-N 3Å; A219-W221 PolarHBondContact O-N 3.29Å | ||
| 220 | S | 37.7 | Very low | 47.4 | Very low | 110 Ų | 110 | 78.7 Ų | 78.7 | 77% | 0.769 | 43% | 0.432 | S | S | * | . | trans | -78.6 | 54 | -174.1 | -164.8 | 0 | 0 | 0 | 0 | 113.1 | G218 | G218-S220 PolarHBondContact O-N 2.99Š| ||
| 221 | W | 38.1 | Very low | 44.8 | Very low | 146 Ų | 146 | 81.7 Ų | 81.7 | 55% | 0.553 | 44% | 0.444 | S | S | * | . | trans | -88.5 | 114.2 | -177 | -66.6 | 17.7 | 0 | 0 | 0 | 109.9 | A219 W223 | A219-W221 PolarHBondContact O-N 3.29Å; W221-W223 VanDerWaalsContact C-N 3.33Å; W221-W223 HydrophobicContact CE3-CH2 4.2Å; W221-W223 AromaticContact CE3-CZ2 3.62Å; W221-W223 HydrophobicContact CE3-CZ2 3.62Å; W221-W223 HydrophobicContact CZ3-CZ2 4.24Å; W221-W223 PolarHBondContact O-N 3.34Å | ||
| 222 | K | 32.5 | Very low | 41.8 | Very low | 204 Ų | 204 | 89.5 Ų | 89.5 | 89% | 0.887 | 47% | 0.473 | S | S | * | . | trans | -78.1 | 69.6 | -171.3 | -70.6 | -178.5 | 177.2 | 174.7 | 0 | 113.2 | S224 | K222-S224 PolarHBondContact O-N 3.21Š| ||
| 223 | W | 39.5 | Very low | 39.3 | Very low | 58 Ų | 58 | 89.8 Ų | 89.8 | 22% | 0.22 | 48% | 0.478 | C | S | . | . | trans | -61.6 | 120.2 | 179 | -64.9 | 116.2 | 0 | 0 | 0 | 113.9 | D171 P172 W221 S225 R232 | D171-W223 HydrophobicContact CB-CZ3 4.04Å; D171-W223 VanDerWaalsContact OD1-CH2 3.25Å; D171-W223 WeakPolarHBondContact OD1-CH2 3.31Å; D171-W223 WeakPolarHBondContact OD1-CZ3 3.47Å; D171-W223 WeakPolarHBondContact OD2-CZ3 3.29Å; P172-W223 HydrophobicContact CB-CE3 4.02Å; P172-W223 HydrophobicContact CB-CH2 3.62Å; P172-W223 HydrophobicContact CB-CZ2 4.31Å; P172-W223 HydrophobicContact CB-CZ3 3.46Å; P172-W223 VanDerWaalsContact CB-CZ3 3.46Å; P172-W223 HydrophobicContact CG-CE3 4.28Å; P172-W223 HydrophobicContact CG-CZ3 4.15Å; W221-W223 VanDerWaalsContact C-N 3.33Å; W221-W223 HydrophobicContact CE3-CH2 4.2Å; W221-W223 AromaticContact CE3-CZ2 3.62Å; W221-W223 HydrophobicContact CE3-CZ2 3.62Å; W221-W223 HydrophobicContact CZ3-CZ2 4.24Å; W221-W223 PolarHBondContact O-N 3.34Å; W223-S225 PolarHBondContact O-N 2.74Å; W223-R232 PolarHBondContact O-NH2 3.04Å | ||
| 224 | S | 28.7 | Very low | 36.7 | Very low | 87 Ų | 87 | 90.5 Ų | 90.5 | 61% | 0.608 | 49% | 0.493 | S | S | * | . | trans | -83.5 | 99.7 | 174.9 | 47.1 | 0 | 0 | 0 | 0 | 111.3 | K222 Q226 | K222-S224 PolarHBondContact O-N 3.21Å; S224-Q226 PolarHBondContact O-N 3.44Å | ||
| 225 | S | 27.3 | Very low | 34.7 | Very low | 40 Ų | 40 | 91.6 Ų | 91.6 | 28% | 0.28 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 32.2 | -163.2 | 73 | 0 | 0 | 0 | 0 | 116.8 | W223 R232 | W223-S225 PolarHBondContact O-N 2.74Å; S225-R232 WeakPolarHBondContact OG-CD 3.48Å; S225-R232 PolarHBondContact OG-NE 3.01Å; S225-R232 PolarHBondContact OG-NH1 3Å |
| 226 | Q | 28.9 | Very low | 32.9 | Very low | 198 Ų | 198 | 96.2 Ų | 96.2 | 93% | 0.925 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -9.6 | 179 | -74.7 | -171.1 | -14.7 | 0 | 0 | 114 | S224 | S224-Q226 PolarHBondContact O-N 3.44Š|
| 227 | A | 27.5 | Very low | 31.9 | Very low | 90 Ų | 90 | 97 Ų | 97 | 74% | 0.744 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -111.9 | -18.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 228 | T | 30.8 | Very low | 31 | Very low | 39 Ų | 39 | 95.3 Ų | 95.3 | 24% | 0.239 | 53% | 0.533 | C | S | . | . | trans | -115.9 | 87.3 | -171.2 | 41.9 | 0 | 0 | 0 | 0 | 112.5 | P172 Y230 | P172-T228 HydrophobicContact CG-CG2 3.95Å; T228-Y230 VanDerWaalsContact C-N 3.33Å; T228-Y230 PolarHBondContact O-N 3.34Å | ||
| 229 | L | 25.4 | Very low | 30.5 | Very low | 150 Ų | 150 | 97.8 Ų | 97.8 | 79% | 0.785 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 89.6 | 164.2 | -75.8 | 167.7 | 0 | 0 | 0 | 109.9 | ||
| 230 | Y | 26.8 | Very low | 30 | Very low | 110 Ų | 110 | 98.2 Ų | 98.2 | 43% | 0.431 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -176.3 | 17.8 | 135 | -111.3 | -70.5 | 0 | 0 | 0 | 116.8 | T228 E725 L726 D729 | T228-Y230 VanDerWaalsContact C-N 3.33Å; T228-Y230 PolarHBondContact O-N 3.34Å; Y230-E725 PolarHBondContact OH-O 2.96Å; Y230-L726 HydrophobicContact CD1-CD2 3.99Å; Y230-L726 HydrophobicContact CE1-CD2 3.31Å; Y230-L726 HydrophobicContact CE1-CG 4.45Å; Y230-L726 WeakPolarHBondContact OH-CA 3.26Å; Y230-D729 HydrophobicContact CE1-CB 4.03Å; Y230-D729 HydrophobicContact CE2-CB 4.08Å; Y230-D729 VanDerWaalsContact CE2-OD2 3.24Å; Y230-D729 WeakPolarHBondContact CE2-OD2 3.36Å; Y230-D729 WeakPolarHBondContact OH-CB 3.45Å; Y230-D729 PolarHBondContact OH-OD2 2.71Å |
| 231 | E | 30.1 | Very low | 29.5 | Very low | 93 Ų | 93 | 94.6 Ų | 94.6 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -141.6 | 45.8 | -176 | -144.1 | 174 | -160.8 | 0 | 0 | 115.6 | R118 R239 | R118-E231 IonicContact CZ-OE1 2.87Å; R118-E231 IonicContact CZ-OE2 2.73Å; R118-E231 IonicContact NE-OE1 2.64Å; R118-E231 IonicContact NE-OE2 2.64Å; R118-E231 IonicContact NH1-OE1 3.93Å; R118-E231 PolarHBondContact NH1-OE1 2.73Å; R118-E231 IonicContact NH1-OE2 3.11Å; R118-E231 PolarHBondContact NH1-OE2 2.91Å; E231-R239 IonicContact OE1-NH2 2.71Å |
| 232 | R | 26.8 | Very low | 29.1 | Very low | 164 Ų | 164 | 89.3 Ų | 89.3 | 62% | 0.619 | 48% | 0.475 | S | S | * | . | trans | -143.5 | 57.2 | 166 | -76.7 | -149.8 | -168.8 | 162.2 | 7.1 | 115.4 | W223 S225 | W223-R232 PolarHBondContact O-NH2 3.04Å; S225-R232 WeakPolarHBondContact OG-CD 3.48Å; S225-R232 PolarHBondContact OG-NE 3.01Å; S225-R232 PolarHBondContact OG-NH1 3Å | ||
| 233 | V | 30.7 | Very low | 29 | Very low | 53 Ų | 53 | 85 Ų | 85 | 32% | 0.321 | 47% | 0.466 | S | S | . | . | trans | -112.9 | 126.5 | 137.3 | 173.6 | 0 | 0 | 0 | 0 | 103.6 | D716 E720 L726 | V233-D716 HydrophobicContact CG1-CB 4.34Å; V233-D716 VanDerWaalsContact CG1-O 3.29Å; V233-D716 WeakPolarHBondContact CG1-O 3.45Å; V233-E720 HydrophobicContact CG2-CB 3.97Å; V233-E720 HydrophobicContact CG2-CG 3.69Å; V233-E720 WeakPolarHBondContact CG2-OE2 3.4Å; V233-L726 HydrophobicContact CG2-CD1 3.44Å; V233-L726 VanDerWaalsContact CG2-CD1 3.44Å | ||
| 234 | G | 28 | Very low | 28.6 | Very low | 41 Ų | 41 | 84.1 Ų | 84.1 | 42% | 0.423 | 47% | 0.467 | S | S | . | . | cis | 114.9 | 131.8 | 44.4 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 235 | S | 25.7 | Very low | 28.7 | Very low | 96 Ų | 96 | 89.2 Ų | 89.2 | 67% | 0.671 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -56.1 | 155.3 | -151.8 | -54.1 | 0 | 0 | 0 | 0 | 116.1 | ||
| 236 | D | 24.7 | Very low | 28.9 | Very low | 115 Ų | 115 | 95.7 Ų | 95.7 | 62% | 0.615 | 50% | 0.499 | S | S | * | . | trans | 60 | 65.6 | 164 | -60.1 | -0.2 | 0 | 0 | 0 | 116.4 | ||||
| 237 | T | 28.7 | Very low | 28.9 | Very low | 65 Ų | 65 | 89.4 Ų | 89.4 | 40% | 0.399 | 48% | 0.477 | S | S | . | . | trans | -122.8 | 120.9 | 166 | 77.9 | 0 | 0 | 0 | 0 | 110.6 | R239 V714 | T237-R239 PolarHBondContact O-N 3.35Å; T237-V714 HydrophobicContact CG2-CB 3.85Å; T237-V714 HydrophobicContact CG2-CG1 4.11Å; T237-V714 WeakPolarHBondContact CG2-O 3.12Å | ||
| 238 | P | 27.7 | Very low | 29 | Very low | 33 Ų | 33 | 91 Ų | 91 | 21% | 0.214 | 48% | 0.479 | C | S | . | . | trans | -77 | 123 | -174.5 | 27.9 | -32.5 | 0 | 0 | 0 | 111.8 | Q240 P496 | P238-Q240 PolarHBondContact O-N 3.45Å; P238-P496 WeakPolarHBondContact CG-O 3.31Å | ||
| 239 | R | 33.4 | Very low | 28.9 | Very low | 125 Ų | 125 | 96.4 Ų | 96.4 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | trans | -71.5 | 107.1 | -179.1 | -83.2 | -171.3 | 170 | -123.2 | -4.3 | 111.5 | D116 E231 T237 | D116-R239 IonicContact OD1-CZ 3.27Å; D116-R239 IonicContact OD1-NH1 2.71Å; D116-R239 PolarHBondContact OD1-NH1 2.78Å; D116-R239 IonicContact OD2-CZ 2.69Å; D116-R239 IonicContact OD2-NE 2.71Å; D116-R239 IonicContact OD2-NH1 3.8Å; D116-R239 PolarHBondContact OD2-NH1 3.17Å; E231-R239 IonicContact OE1-NH2 2.71Å; T237-R239 PolarHBondContact O-N 3.35Å | ||
| 240 | Q | 30.4 | Very low | 29.2 | Very low | 45 Ų | 45 | 96.7 Ų | 96.7 | 21% | 0.21 | 51% | 0.505 | C | S | . | . | trans | -80.4 | 141.3 | 176.2 | -63.6 | -170.6 | -8.3 | 0 | 0 | 113.8 | P238 L494 F711 R737 | P238-Q240 PolarHBondContact O-N 3.45Å; Q240-L494 HydrophobicContact CB-CD1 4.31Å; Q240-L494 HydrophobicContact CB-CD2 3.87Å; Q240-L494 HydrophobicContact CG-CD1 4.21Å; Q240-L494 HydrophobicContact CG-CD2 4.02Å; Q240-F711 PolarHBondContact NE2-O 2.67Å; Q240-R737 PolarHBondContact O-NH1 2.63Å | ||
| 241 | S | 28.1 | Very low | 29.2 | Very low | 34 Ų | 34 | 100 Ų | 100 | 24% | 0.238 | 52% | 0.518 | C | S | . | . | trans | 64.2 | 118.9 | 175.1 | 69.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 242 | P | 29.9 | Very low | 29.2 | Very low | 36 Ų | 36 | 99.7 Ų | 99.7 | 23% | 0.234 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 161.1 | 153.8 | -13.3 | 30.2 | 0 | 0 | 0 | 112.1 | V493 | P242-V493 WeakPolarHBondContact CD-O 3.27Å; P242-V493 HydrophobicContact CG-CG1 3.87Å; P242-V493 WeakPolarHBondContact CG-O 3.3Å |
| 243 | T | 30.4 | Very low | 29.2 | Very low | 113 Ų | 113 | 101.9 Ų | 101.9 | 69% | 0.693 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -78.6 | 122.6 | 174.2 | -17.5 | 0 | 0 | 0 | 0 | 110.3 | R245 | T243-R245 PolarHBondContact O-N 2.7Š|
| 244 | P | 31.1 | Very low | 29.3 | Very low | 40 Ų | 40 | 106.5 Ų | 106.5 | 26% | 0.26 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 131.8 | 174.4 | -15.3 | 29.3 | 0 | 0 | 0 | 109.9 | Q246 L580 W740 | P244-Q246 PolarHBondContact O-N 2.82Å; P244-L580 HydrophobicContact CG-CB 3.95Å; P244-L580 HydrophobicContact CG-CD2 3.63Å; P244-L580 HydrophobicContact CG-CG 4.42Å; P244-W740 HydrophobicContact CG-CH2 4.47Å |
| 245 | R | 31 | Very low | 29.5 | Very low | 193 Ų | 193 | 111.2 Ų | 111.2 | 73% | 0.728 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 134.9 | 165.1 | -76.5 | -178 | 164.6 | -159.3 | -5.6 | 108.9 | T243 S247 | T243-R245 PolarHBondContact O-N 2.7Å; R245-S247 PolarHBondContact O-N 2.88Å |
| 246 | Q | 31.6 | Very low | 29.9 | Very low | 177 Ų | 177 | 114 Ų | 114 | 83% | 0.827 | 58% | 0.584 | S | S | * | * | trans | -81.2 | 97.4 | 174.6 | -66.9 | -176.3 | -85.4 | 0 | 0 | 109.8 | P244 | P244-Q246 PolarHBondContact O-N 2.82Š| ||
| 247 | S | 28.5 | Very low | 30.2 | Very low | 66 Ų | 66 | 114.8 Ų | 114.8 | 46% | 0.462 | 60% | 0.596 | S | S | . | * | trans | -56.8 | 129 | 158.2 | -56.6 | 0 | 0 | 0 | 0 | 108.1 | R245 M249 E375 | R245-S247 PolarHBondContact O-N 2.88Å; S247-M249 PolarHBondContact O-N 2.76Å; S247-M249 VanDerWaalsContact O-N 3.08Å; S247-E375 PolarHBondContact OG-OE1 2.71Å | ||
| 248 | P | 29.2 | Very low | 30.3 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 79% | 0.792 | 62% | 0.616 | S | S | * | * | trans | -66.9 | 109 | 179.2 | -20 | 32.5 | 0 | 0 | 0 | 110.7 | I250 | P248-I250 PolarHBondContact O-N 2.83Š| ||
| 249 | M | 29.8 | Very low | 30.6 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 75% | 0.754 | 65% | 0.648 | S | S | * | * | trans | -69.6 | 93.8 | 174.1 | -91.2 | -153.4 | -76.6 | 0 | 0 | 110.8 | S247 Y251 | S247-M249 PolarHBondContact O-N 2.76Å; S247-M249 VanDerWaalsContact O-N 3.08Å; M249-Y251 VanDerWaalsContact C-N 3.34Å; M249-Y251 HydrophobicContact CB-CD2 4.37Å; M249-Y251 HydrophobicContact CE-CE2 4.06Å; M249-Y251 PolarHBondContact O-N 2.9Å; M249-Y251 HydrophobicContact SD-CD2 4.48Å; M249-Y251 HydrophobicContact SD-CE2 3.85Å | ||
| 250 | I | 29.9 | Very low | 30.4 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 81% | 0.805 | 66% | 0.663 | S | S | * | * | trans | -71.4 | 95.4 | 158.5 | -61.1 | -177.1 | 0 | 0 | 0 | 107.3 | P248 A252 | P248-I250 PolarHBondContact O-N 2.83Å; I250-A252 PolarHBondContact O-N 3.36Å | ||
| 251 | Y | 28.1 | Very low | 30.3 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 70% | 0.702 | 69% | 0.69 | S | S | * | * | trans | -65 | 101.2 | 164.5 | -95.9 | -87 | 0 | 0 | 0 | 109 | M249 R253 | M249-Y251 VanDerWaalsContact C-N 3.34Å; M249-Y251 HydrophobicContact CB-CD2 4.37Å; M249-Y251 HydrophobicContact CE-CE2 4.06Å; M249-Y251 PolarHBondContact O-N 2.9Å; M249-Y251 HydrophobicContact SD-CD2 4.48Å; M249-Y251 HydrophobicContact SD-CE2 3.85Å; Y251-R253 PolarHBondContact O-N 3.19Å | ||
| 252 | A | 29.2 | Very low | 30.3 | Very low | 86 Ų | 86 | 139.7 Ų | 139.7 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | -67.2 | 78.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I250 N254 | I250-A252 PolarHBondContact O-N 3.36Å; A252-N254 VanDerWaalsContact C-N 3.3Å; A252-N254 PolarHBondContact O-N 3.19Å | ||
| 253 | R | 28.1 | Very low | 30.2 | Very low | 210 Ų | 210 | 146.3 Ų | 146.3 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | trans | -72 | 88.3 | 166.4 | -82.1 | -172.9 | 171.1 | 173 | -2.4 | 108.7 | Y251 L255 | Y251-R253 PolarHBondContact O-N 3.19Å; R253-L255 HydrophobicContact CB-CD1 3.94Å; R253-L255 PolarHBondContact O-N 2.97Å | ||
| 254 | N | 32.3 | Very low | 30.3 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | trans | -64.8 | 110.2 | 155.1 | -66.9 | -5.9 | 0 | 0 | 0 | 106.9 | A252 | A252-N254 VanDerWaalsContact C-N 3.3Å; A252-N254 PolarHBondContact O-N 3.19Å | ||
| 255 | L | 30.6 | Very low | 30.4 | Very low | 140 Ų | 140 | 151.1 Ų | 151.1 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -95.4 | 119.2 | 162 | -77.1 | 93 | 0 | 0 | 0 | 107.6 | R253 P257 | R253-L255 HydrophobicContact CB-CD1 3.94Å; R253-L255 PolarHBondContact O-N 2.97Å; L255-P257 WeakPolarHBondContact O-CD 3.42Å | ||
| 256 | D | 34.7 | Very low | 30.2 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -65.5 | 123.6 | 167.7 | -63.3 | -60.1 | 0 | 0 | 0 | 109.2 | E258 | D256-E258 VanDerWaalsContact C-N 3.33Å; D256-E258 PolarHBondContact O-N 3.11Å | ||
| 257 | P | 30.8 | Very low | 30.1 | Very low | 132 Ų | 132 | 151.4 Ų | 151.4 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -91.6 | 38.4 | -165.8 | 37.1 | -38 | 0 | 0 | 0 | 113.8 | L255 | L255-P257 WeakPolarHBondContact O-CD 3.42Š| ||
| 258 | E | 32.2 | Very low | 30.2 | Very low | 177 Ų | 177 | 153.1 Ų | 153.1 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -146.2 | 75.6 | -170.6 | -150.1 | 162.5 | -120.8 | 0 | 0 | 116.6 | D256 | D256-E258 VanDerWaalsContact C-N 3.33Å; D256-E258 PolarHBondContact O-N 3.11Å | ||
| 259 | N | 33.7 | Very low | 30.2 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | -155.2 | 144.5 | 123.2 | -131 | -37.9 | 0 | 0 | 0 | 113.7 | |||||
| 260 | R | 28.7 | Very low | 30.1 | Very low | 204 Ų | 204 | 148.8 Ų | 148.8 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | -105.3 | 159.9 | -169.1 | -62.2 | 173 | 171.2 | 163.4 | -4.6 | 112.7 | ||||
| 261 | F | 27.4 | Very low | 30.2 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | 60.5 | 105.8 | 155.7 | -53.8 | -53.8 | 0 | 0 | 0 | 119.8 | ||||
| 262 | A | 28.4 | Very low | 30.4 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | -163.8 | 96.6 | 123.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 263 | M | 28.6 | Very low | 30.7 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 86% | 0.862 | 75% | 0.752 | S | S | * | * | trans | 26.8 | 131 | 143.9 | -56.5 | -55.6 | 178.4 | 0 | 0 | 123.4 | ||||
| 264 | T | 33 | Very low | 31.8 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -61.3 | 160.2 | 156.2 | 58.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 265 | P | 32.4 | Very low | 32.3 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | -151.2 | -158.8 | 79.3 | 40.9 | -19.5 | 0 | 0 | 0 | 116.1 | |||||
| 266 | R | 27.2 | Very low | 32.5 | Very low | 222 Ų | 222 | 140.9 Ų | 140.9 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | trans | -117.1 | 169.9 | -171.4 | -59.4 | 169.7 | 171.5 | 161.9 | -5 | 112.3 | ||||
| 267 | H | 30.1 | Very low | 32.8 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | 72.1 | 158.4 | 165.4 | -69.6 | -88.2 | 0 | 0 | 0 | 116.6 | ||||
| 268 | H | 29.3 | Very low | 33.2 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 47% | 0.468 | 71% | 0.709 | S | S | . | * | cis | -148 | -164.8 | 4.8 | -124.7 | -48 | 0 | 0 | 0 | 114.2 | ||||
| 269 | D | 29.4 | Very low | 33.4 | Very low | 53 Ų | 53 | 138.9 Ų | 138.9 | 28% | 0.283 | 70% | 0.7 | S | S | . | * | trans | -75 | 152.9 | -157.9 | -88.4 | -109.5 | 0 | 0 | 0 | 124.1 | F300 | D269-F300 HydrophobicContact CB-CB 4.43Å; D269-F300 HydrophobicContact CB-CD1 3.86Å; D269-F300 HydrophobicContact CB-CG 4.34Å; D269-F300 WeakPolarHBondContact OD1-CE1 3.44Å; D269-F300 VanDerWaalsContact OD2-CD1 3.3Å; D269-F300 WeakPolarHBondContact OD2-CD1 3.42Å | ||
| 270 | R | 27.7 | Very low | 33.6 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 49% | 0.494 | 70% | 0.698 | S | S | . | * | trans | 84.1 | 122.1 | 130.4 | -77.8 | 167.3 | -175.8 | -141 | -6.3 | 126.5 | F300 Y301 | R270-F300 VanDerWaalsContact CZ-CE2 3.49Å; R270-Y301 HydrophobicContact CB-CD1 4.43Å; R270-Y301 HydrophobicContact CB-CE1 3.99Å; R270-Y301 HydrophobicContact CG-CE1 4.44Å; R270-Y301 PolarHBondContact NH1-OH 2.9Å | ||
| 271 | L | 33.3 | Very low | 34.1 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | 68.5 | 123.1 | 129.3 | -71.2 | 168.3 | 0 | 0 | 0 | 123.2 | |||||
| 272 | S | 31 | Very low | 34.4 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 90% | 0.902 | 70% | 0.698 | S | S | * | * | trans | -159.2 | 160.9 | 141.5 | -89.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 273 | R | 35.7 | Very low | 35.3 | Very low | 204 Ų | 204 | 128.1 Ų | 128.1 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | trans | -171.1 | 156 | -157.8 | 165 | -172.4 | 175.3 | -74.5 | -6.1 | 108.6 | ||||
| 274 | P | 51.2 | Low | 35.7 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 53% | 0.526 | 69% | 0.689 | S | S | . | * | cis | -120.2 | -140.4 | 20.2 | 45.7 | -27.9 | 0 | 0 | 0 | 111.5 | ||||
| 275 | P | 42 | Very low | 35.8 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 78% | 0.779 | 69% | 0.686 | S | S | * | * | cis | -68.4 | 160.9 | 3.7 | -21.7 | 36.4 | 0 | 0 | 0 | 115 | ||||
| 276 | S | 36.8 | Very low | 36.2 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 54% | 0.538 | 68% | 0.68 | S | S | . | * | cis | 82.3 | 137 | 6 | 80.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 277 | E | 39.2 | Very low | 36.6 | Very low | 144 Ų | 144 | 124.2 Ų | 124.2 | 67% | 0.673 | 67% | 0.669 | S | S | * | * | cis | -86.4 | -115.9 | -2 | -65.8 | -173.3 | 91.9 | 0 | 0 | 112.5 | R279 | E277-R279 IonicContact OE1-CZ 3.42Å; E277-R279 IonicContact OE1-NH1 3.45Å; E277-R279 IonicContact OE1-NH2 3.94Å; E277-R279 PolarHBondContact OE1-NH2 3.4Å; E277-R279 IonicContact OE2-CZ 3.86Å; E277-R279 IonicContact OE2-NH1 3.94Å; E277-R279 PolarHBondContact OE2-NH1 2.95Å; E277-R279 IonicContact OE2-NH2 2.67Å; E277-R279 PolarHBondContact OE2-NH2 3.21Å | ||
| 278 | D | 39 | Very low | 36.9 | Very low | 110 Ų | 110 | 122.7 Ų | 122.7 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | cis | -166.3 | 158.3 | -12.8 | -136.4 | 15.5 | 0 | 0 | 0 | 110.2 | ||||
| 279 | R | 37.4 | Very low | 37.1 | Very low | 169 Ų | 169 | 123.5 Ų | 123.5 | 64% | 0.638 | 69% | 0.686 | S | S | * | * | cis | -155.1 | 135.7 | -20 | -144.8 | 162.2 | -149.1 | 108.7 | 16.9 | 110.1 | E277 | E277-R279 IonicContact OE1-CZ 3.42Å; E277-R279 IonicContact OE1-NH1 3.45Å; E277-R279 IonicContact OE1-NH2 3.94Å; E277-R279 PolarHBondContact OE1-NH2 3.4Å; E277-R279 IonicContact OE2-CZ 3.86Å; E277-R279 IonicContact OE2-NH1 3.94Å; E277-R279 PolarHBondContact OE2-NH1 2.95Å; E277-R279 IonicContact OE2-NH2 2.67Å; E277-R279 PolarHBondContact OE2-NH2 3.21Å | ||
| 280 | A | 38.3 | Very low | 37.5 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 85% | 0.851 | 70% | 0.703 | S | S | * | * | trans | 56.2 | 159.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 281 | A | 38.3 | Very low | 38 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | cis | -176.9 | 155.8 | -26 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 282 | S | 34.4 | Very low | 38.3 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | cis | -160.7 | 161.4 | -18.8 | -89.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 283 | P | 47.5 | Very low | 38.5 | Very low | 112 Ų | 112 | 124 Ų | 124 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | trans | -114.3 | 172.5 | -165 | 42 | -34.7 | 0 | 0 | 0 | 116.2 | ||||
| 284 | N | 36.4 | Very low | 38.5 | Very low | 142 Ų | 142 | 123.4 Ų | 123.4 | 76% | 0.759 | 70% | 0.698 | S | S | * | * | trans | -174.7 | 159.1 | 160 | -97.4 | -21.7 | 0 | 0 | 0 | 111.2 | ||||
| 285 | R | 35.6 | Very low | 37.7 | Very low | 191 Ų | 191 | 122.8 Ų | 122.8 | 72% | 0.721 | 71% | 0.707 | S | S | * | * | cis | 179.6 | 173.8 | -30.8 | -119.3 | -167.1 | -163.4 | -170.5 | 1.9 | 109.9 | ||||
| 286 | H | 39.9 | Very low | 37.3 | Very low | 150 Ų | 150 | 121.7 Ų | 121.7 | 69% | 0.694 | 70% | 0.702 | S | S | * | * | trans | 71.6 | 150.9 | 161.8 | -62.6 | -54.7 | 0 | 0 | 0 | 117.3 | ||||
| 287 | S | 37.2 | Very low | 37 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | cis | -175.8 | 164.3 | -9.7 | -95.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 288 | T | 35.1 | Very low | 36.5 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | cis | -168.1 | 176.9 | -12 | 24 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 289 | C | 33.8 | Very low | 36.1 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | 78.3 | 144.3 | 164.4 | -68.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 290 | S | 37.4 | Very low | 35.7 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | cis | -170.1 | 130.9 | -18.4 | 46.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 291 | Q | 38.8 | Very low | 35.4 | Very low | 176 Ų | 176 | 125.2 Ų | 125.2 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | trans | 64.5 | 149.6 | 143.3 | -63.8 | -173.3 | -14.7 | 0 | 0 | 119.1 | ||||
| 292 | L | 38.8 | Very low | 35 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 73% | 0.728 | 68% | 0.68 | S | S | * | * | cis | -160.1 | 163 | -8.4 | -107.4 | 165.7 | 0 | 0 | 0 | 105.9 | ||||
| 293 | S | 34.8 | Very low | 34.8 | Very low | 62 Ų | 62 | 129.3 Ų | 129.3 | 43% | 0.434 | 68% | 0.683 | S | S | . | * | cis | -156 | 171.1 | 3.6 | -169.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 294 | F | 37.5 | Very low | 34 | Very low | 192 Ų | 192 | 126.7 Ų | 126.7 | 84% | 0.842 | 68% | 0.676 | S | S | * | * | trans | 66.1 | 164.6 | 165.5 | -49.3 | -55 | 0 | 0 | 0 | 116.3 | ||||
| 295 | G | 33 | Very low | 33.6 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | cis | 164.7 | 166.6 | -12.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 296 | S | 34.3 | Very low | 33.1 | Very low | 97 Ų | 97 | 121.9 Ų | 121.9 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | cis | -156.6 | 68.1 | -13.2 | -83 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 297 | R | 30.2 | Very low | 32.5 | Very low | 225 Ų | 225 | 123.6 Ų | 123.6 | 85% | 0.849 | 68% | 0.683 | S | S | * | * | trans | 74.3 | 151.3 | 158.4 | -58.8 | 172.6 | 176.9 | -166.4 | -3.9 | 115.1 | ||||
| 298 | Q | 27.7 | Very low | 31.9 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 73% | 0.729 | 69% | 0.685 | S | S | * | * | cis | 69.9 | 137.2 | 43.7 | -66.2 | -174.2 | -24.7 | 0 | 0 | 113 | ||||
| 299 | V | 32 | Very low | 31.4 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 67% | 0.667 | 68% | 0.681 | S | S | * | * | -162.4 | 164 | 71.3 | 155.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 300 | F | 27.9 | Very low | 31 | Very low | 47 Ų | 47 | 121.5 Ų | 121.5 | 21% | 0.206 | 67% | 0.674 | C | S | . | * | trans | -65.7 | 179.1 | 179.4 | -28.7 | -82.7 | 0 | 0 | 0 | 114.7 | D269 R270 | D269-F300 HydrophobicContact CB-CB 4.43Å; D269-F300 HydrophobicContact CB-CD1 3.86Å; D269-F300 HydrophobicContact CB-CG 4.34Å; D269-F300 WeakPolarHBondContact OD1-CE1 3.44Å; D269-F300 VanDerWaalsContact OD2-CD1 3.3Å; D269-F300 WeakPolarHBondContact OD2-CD1 3.42Å; R270-F300 VanDerWaalsContact CZ-CE2 3.49Å | ||
| 301 | Y | 33 | Very low | 30.5 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 54% | 0.541 | 68% | 0.682 | S | S | . | * | cis | -139.1 | -111.2 | 33 | -76.5 | -88.9 | 0 | 0 | 0 | 116.3 | R270 | R270-Y301 HydrophobicContact CB-CD1 4.43Å; R270-Y301 HydrophobicContact CB-CE1 3.99Å; R270-Y301 HydrophobicContact CG-CE1 4.44Å; R270-Y301 PolarHBondContact NH1-OH 2.9Å | ||
| 302 | D | 30.5 | Very low | 30.1 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 58% | 0.583 | 67% | 0.669 | S | S | * | * | trans | -159.9 | 168.3 | -133.7 | -172.1 | 30.5 | 0 | 0 | 0 | 116.1 | ||||
| 303 | E | 28.7 | Very low | 29.8 | Very low | 183 Ų | 183 | 122.2 Ų | 122.2 | 86% | 0.855 | 67% | 0.672 | S | S | * | * | trans | 55.4 | 148.2 | 161 | -121.9 | -169.7 | -158.5 | 0 | 0 | 124.2 | ||||
| 304 | G | 31.4 | Very low | 29.7 | Very low | 57 Ų | 57 | 123.6 Ų | 123.6 | 59% | 0.588 | 68% | 0.682 | S | S | * | * | 131 | 61 | 129.7 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 305 | S | 28.8 | Very low | 29.6 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 68% | 0.683 | S | S | * | * | trans | 76.1 | 135.7 | 140 | 91.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 306 | V | 24.6 | Very low | 29.5 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | 48.2 | 147.8 | 149.5 | -129 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 307 | F | 26.5 | Very low | 29.4 | Very low | 185 Ų | 185 | 130.5 Ų | 130.5 | 81% | 0.811 | 69% | 0.689 | S | S | * | * | trans | 91.4 | 120.8 | 151.4 | -84.1 | -65.9 | 0 | 0 | 0 | 121.9 | ||||
| 308 | S | 25.7 | Very low | 29.7 | Very low | 93 Ų | 93 | 125 Ų | 125 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | trans | 44.5 | 116.9 | 137.6 | -72.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 309 | S | 25 | Very low | 30.1 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | 72.3 | 110.6 | 122.9 | 74 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 310 | C | 23.9 | Very low | 30.3 | Very low | 96 Ų | 96 | 124 Ų | 124 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | 80 | 145.9 | 120.2 | 87 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 311 | Q | 27.5 | Very low | 30.5 | Very low | 170 Ų | 170 | 127.4 Ų | 127.4 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | trans | 69.6 | 147.2 | 160.9 | -59.7 | 178.3 | 67.8 | 0 | 0 | 117.3 | ||||
| 312 | S | 29.5 | Very low | 30.4 | Very low | 79 Ų | 79 | 127.9 Ų | 127.9 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | cis | -169.5 | 169.6 | -21.4 | -97.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 313 | H | 33.7 | Very low | 30.6 | Very low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | 78.4 | 152.8 | 160.2 | -45.4 | 114.3 | 0 | 0 | 0 | 118.5 | ||||
| 314 | S | 32.3 | Very low | 30.8 | Very low | 91 Ų | 91 | 123 Ų | 123 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | cis | -174.2 | 160.3 | -28.4 | -93.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 315 | R | 36.2 | Very low | 30.9 | Very low | 231 Ų | 231 | 128.6 Ų | 128.6 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | trans | 114 | 142.5 | 146.7 | -66.7 | -173.5 | -101.9 | -146 | -3.1 | 115 | ||||
| 316 | T | 31 | Very low | 31.1 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | cis | -166.4 | -176.2 | -44.4 | 14.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 317 | I | 31.5 | Very low | 31.4 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | cis | -142.9 | 158.3 | 18.1 | -51.1 | 160.3 | 0 | 0 | 0 | 109 | ||||
| 318 | S | 36.1 | Very low | 31.6 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | -140.8 | 161.6 | 156 | -49.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 319 | P | 37.2 | Very low | 31.9 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | -142.4 | -179.3 | 124.8 | 35.5 | -19.6 | 0 | 0 | 0 | 114.4 | |||||
| 320 | S | 34.7 | Very low | 32.1 | Very low | 114 Ų | 114 | 124.2 Ų | 124.2 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -133.9 | -170.4 | -166.7 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 321 | C | 32.4 | Very low | 32.6 | Very low | 120 Ų | 120 | 123 Ų | 123 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | 108.5 | 147 | 169.4 | 92.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 322 | D | 31.6 | Very low | 32.8 | Very low | 148 Ų | 148 | 121.3 Ų | 121.3 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | cis | -165.8 | 172.7 | -33.4 | -146.5 | -45.3 | 0 | 0 | 0 | 110.4 | ||||
| 323 | S | 34.2 | Very low | 32.9 | Very low | 89 Ų | 89 | 125.8 Ų | 125.8 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | trans | 73.9 | 97 | 145.9 | -65.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 324 | S | 32.8 | Very low | 32.9 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | 86.3 | 154 | 111.7 | 80.1 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 325 | H | 34.6 | Very low | 32.8 | Very low | 174 Ų | 174 | 125.8 Ų | 125.8 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | 81.5 | 115.3 | 156.8 | -82.7 | -80.1 | 0 | 0 | 0 | 123.2 | ||||
| 326 | A | 31.6 | Very low | 32.7 | Very low | 86 Ų | 86 | 121.3 Ų | 121.3 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | 45.7 | 150.1 | 122.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 327 | S | 31.7 | Very low | 32.7 | Very low | 97 Ų | 97 | 122.7 Ų | 122.7 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | cis | 179.6 | 177.4 | -11.9 | 55.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 328 | L | 31.3 | Very low | 32.7 | Very low | 171 Ų | 171 | 123.3 Ų | 123.3 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | 78.5 | 135 | 151.7 | -95.9 | 150.6 | 0 | 0 | 0 | 122 | ||||
| 329 | G | 31.4 | Very low | 32.6 | Very low | 79 Ų | 79 | 127.1 Ų | 127.1 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 92.7 | 140.9 | 155.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 330 | G | 29.7 | Very low | 32.4 | Very low | 81 Ų | 81 | 124.9 Ų | 124.9 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | cis | 161.7 | 123.8 | -13.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 331 | G | 33.2 | Very low | 32.5 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 79.7 | 169.1 | 166 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 332 | T | 32.1 | Very low | 32.5 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | cis | -171.2 | 137 | -16 | 7.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 333 | H | 32.6 | Very low | 32.7 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 63.5 | 162.5 | 159.3 | -106.1 | -124.1 | 0 | 0 | 0 | 117.2 | ||||
| 334 | E | 33.7 | Very low | 32.6 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | cis | -124.9 | -175.3 | 7.4 | -66.2 | -160.7 | 102.1 | 0 | 0 | 113.7 | ||||
| 335 | A | 29.4 | Very low | 32.9 | Very low | 87 Ų | 87 | 136.2 Ų | 136.2 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | trans | -77.8 | 175.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 336 | V | 33.8 | Very low | 33.1 | Very low | 137 Ų | 137 | 136 Ų | 136 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | -148.5 | 156.5 | 70.5 | 163.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 337 | M | 31.2 | Very low | 33.6 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -56.3 | 154.3 | 178.2 | -55.2 | -71.8 | -164.6 | 0 | 0 | 114.6 | ||||
| 338 | H | 32.3 | Very low | 33.6 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | -175.7 | 103.4 | 101 | -104.5 | -91 | 0 | 0 | 0 | 114.2 | |||||
| 339 | F | 34.1 | Very low | 34.1 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | 62.7 | 156.6 | 151.4 | -72.8 | -101.1 | 0 | 0 | 0 | 121.1 | ||||
| 340 | S | 31.1 | Very low | 34.7 | Very low | 84 Ų | 84 | 137.7 Ų | 137.7 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | trans | -147.1 | 142.1 | -170.5 | -177.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 341 | H | 38.3 | Very low | 35.6 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 88% | 0.884 | 78% | 0.776 | S | S | * | * | trans | -127.4 | 116.9 | 159.8 | -76.5 | -65.6 | 0 | 0 | 0 | 109.2 | ||||
| 342 | Q | 32.2 | Very low | 37 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 137.8 | -177.4 | -64.3 | 178.9 | -4.2 | 0 | 0 | 111.1 | ||
| 343 | K | 34.7 | Very low | 39.3 | Very low | 201 Ų | 201 | 142 Ų | 142 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 136.2 | 168 | -164.9 | 172.6 | -177.2 | 176 | 0 | 108.3 | ||
| 344 | P | 33.3 | Very low | 42.1 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 156.4 | -171.5 | 26.5 | -35.4 | 0 | 0 | 0 | 113.4 | ||
| 345 | P | 37.8 | Very low | 45 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 83% | 0.831 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -72 | 148.5 | -174.5 | 29.7 | -35.9 | 0 | 0 | 0 | 113.4 | ||
| 346 | L | 39.4 | Very low | 48.1 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 88% | 0.88 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 145.5 | 172.7 | -75.1 | 157 | 0 | 0 | 0 | 111.3 | ||
| 347 | P | 42 | Very low | 50.9 | Low | 121 Ų | 121 | 127.7 Ų | 127.7 | 79% | 0.786 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 150.2 | 178.1 | 31.5 | -35.1 | 0 | 0 | 0 | 112.4 | ||
| 348 | S | 32.9 | Very low | 54 | Low | 102 Ų | 102 | 122.9 Ų | 122.9 | 71% | 0.713 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 155.4 | 175.6 | 44 | 0 | 0 | 0 | 0 | 112.9 | V350 | S348-V350 PolarHBondContact O-N 2.83Š|
| 349 | P | 39.9 | Very low | 56.9 | Low | 124 Ų | 124 | 115.7 Ų | 115.7 | 81% | 0.805 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 132.7 | 178.5 | 26.4 | -34.7 | 0 | 0 | 0 | 111.5 | T351 | P349-T351 PolarHBondContact O-N 2.9Š|
| 350 | V | 45.8 | Very low | 59.6 | Low | 123 Ų | 123 | 113.8 Ų | 113.8 | 75% | 0.745 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 120.6 | -179.4 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | S348 | S348-V350 PolarHBondContact O-N 2.83Š|
| 351 | T | 47.1 | Very low | 62.3 | Low | 97 Ų | 97 | 111.4 Ų | 111.4 | 60% | 0.595 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 138.4 | 179.8 | 55.9 | 0 | 0 | 0 | 0 | 111.6 | P349 E353 | P349-T351 PolarHBondContact O-N 2.9Å; T351-E353 PolarHBondContact O-N 3.14Å; T351-E353 VanDerWaalsContact O-N 3.1Å; T351-E353 PolarHBondContact OG1-OE2 2.67Å |
| 352 | Q | 62.9 | Low | 64.5 | Low | 150 Ų | 150 | 108.2 Ų | 108.2 | 70% | 0.701 | 58% | 0.575 | S | S | * | * | trans | -78.8 | 20.7 | 179.4 | -65.2 | -173.1 | -12.8 | 0 | 0 | 113.3 | Q432 | Q352-Q432 WeakPolarHBondContact O-CG 3.41Å; Q352-Q432 PolarHBondContact O-NE2 3.3Å | ||
| 353 | E | 81 | Confident | 66.6 | Low | 128 Ų | 128 | 104 Ų | 104 | 60% | 0.598 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 148.8 | -170.2 | -68.6 | 174.5 | 140 | 0 | 0 | 112.7 | T351 R355 | T351-E353 PolarHBondContact O-N 3.14Å; T351-E353 VanDerWaalsContact O-N 3.1Å; T351-E353 PolarHBondContact OG1-OE2 2.67Å; E353-R355 PolarHBondContact O-N 3.27Å |
| 354 | P | 90.9 | Very high | 68.7 | Low | 74 Ų | 74 | 97.2 Ų | 97.2 | 48% | 0.481 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 121.9 | 171.3 | -22.9 | 34.8 | 0 | 0 | 0 | 112.1 | L401 L430 V431 | P354-L401 HydrophobicContact CB-CD1 4.42Å; P354-L401 HydrophobicContact CG-CD1 4.48Å; P354-L430 HydrophobicContact CB-CD1 3.87Å; P354-L430 HydrophobicContact CB-CG 4.33Å; P354-V431 CarbonylContact C-O 3.44Å; P354-V431 WeakPolarHBondContact CA-O 3.23Å |
| 355 | R | 94 | Very high | 71.1 | Confident | 82 Ų | 82 | 94.4 Ų | 94.4 | 31% | 0.309 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 131.1 | 176.6 | -56.9 | -172.6 | -67.7 | 135.9 | -2.7 | 110 | E353 I357 G393 D398 V431 | E353-R355 PolarHBondContact O-N 3.27Å; R355-I357 HydrophobicContact CB-CD1 4.48Å; R355-I357 HydrophobicContact CB-CG1 4.31Å; R355-G393 PolarHBondContact NH1-O 3.31Å; R355-G393 PolarHBondContact NH2-O 3.26Å; R355-D398 IonicContact CZ-OD1 2.76Å; R355-D398 IonicContact CZ-OD2 3.89Å; R355-D398 IonicContact NH2-OD1 3.58Å; R355-D398 PolarHBondContact NH2-OD1 3.43Å; R355-D398 IonicContact NH2-OD2 3.5Å; R355-D398 PolarHBondContact NH2-OD2 2.74Å; R355-V431 HydrophobicContact CB-CG2 4.13Å; R355-V431 PolarHBondContact N-O 2.86Å; R355-V431 PolarHBondContact O-N 3.25Å |
| 356 | H | 94.5 | Very high | 73.6 | Confident | 107 Ų | 107 | 88.8 Ų | 88.8 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.4 | 169.9 | -160.2 | -128.1 | 0 | 0 | 0 | 109.3 | R402 L429 | H356-R402 PolarHBondContact NE2-NH2 2.74Å; H356-L429 CarbonylContact C-O 3.51Å; H356-L429 WeakPolarHBondContact CA-O 3.45Å; H356-L429 PolarHBondContact CD2-O 2.77Å |
| 357 | I | 94.4 | Very high | 76 | Confident | 10 Ų | 10 | 81.1 Ų | 81.1 | 5% | 0.051 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 114.1 | -171.4 | -54.3 | -178.5 | 0 | 0 | 0 | 109.3 | R355 F359 R392 V394 L429 V431 | R355-I357 HydrophobicContact CB-CD1 4.48Å; R355-I357 HydrophobicContact CB-CG1 4.31Å; I357-F359 HydrophobicContact CG2-CD1 4.19Å; I357-F359 HydrophobicContact CG2-CE1 4.46Å; I357-R392 HydrophobicContact CG2-CB 3.57Å; I357-R392 WeakPolarHBondContact CG2-O 3.48Å; I357-V394 HydrophobicContact CD1-CG2 3.99Å; I357-V394 HydrophobicContact CG2-CG2 3.99Å; I357-L429 HydrophobicContact CB-CB 4.44Å; I357-L429 PolarHBondContact N-O 3.4Å; I357-L429 PolarHBondContact O-N 3.16Å; I357-V431 HydrophobicContact CD1-CG2 3.61Å; I357-V431 HydrophobicContact CG1-CG2 4.3Å |
| 358 | T | 94.5 | Very high | 78.4 | Confident | 53 Ų | 53 | 76.7 Ų | 76.7 | 33% | 0.325 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129 | 179.4 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | Q426 V427 D428 | T358-Q426 HydrophobicContact CG2-CG 3.97Å; T358-V427 WeakPolarHBondContact CA-O 3.24Å; T358-D428 WeakPolarHBondContact CB-OD1 3.4Å; T358-D428 WeakPolarHBondContact CG2-OD1 3.44Å; T358-D428 PolarHBondContact OG1-OD1 3.12Å |
| 359 | F | 93.8 | Very high | 81.2 | Confident | 8 Ų | 8 | 80.6 Ų | 80.6 | 4% | 0.035 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 173.6 | 171.3 | 52.3 | -89.5 | 0 | 0 | 0 | 111.5 | I357 V366 P388 A389 R392 V394 V427 L429 | I357-F359 HydrophobicContact CG2-CD1 4.19Å; I357-F359 HydrophobicContact CG2-CE1 4.46Å; F359-V366 HydrophobicContact CE2-CG1 3.95Å; F359-V366 HydrophobicContact CZ-CG1 3.8Å; F359-P388 HydrophobicContact CB-CB 3.96Å; F359-P388 HydrophobicContact CD2-CB 3.88Å; F359-P388 HydrophobicContact CG-CB 4.17Å; F359-A389 HydrophobicContact CE1-CB 4.04Å; F359-A389 HydrophobicContact CE2-CB 4.26Å; F359-A389 HydrophobicContact CZ-CB 3.83Å; F359-R392 HydrophobicContact CB-CG 3.87Å; F359-R392 HydrophobicContact CD1-CB 4.46Å; F359-V394 HydrophobicContact CE1-CG2 4.18Å; F359-V427 HydrophobicContact CD2-CB 3.97Å; F359-V427 HydrophobicContact CD2-CG2 4.39Å; F359-V427 HydrophobicContact CE1-CB 4.47Å; F359-V427 HydrophobicContact CE1-CG1 4.14Å; F359-V427 HydrophobicContact CE2-CB 3.64Å; F359-V427 HydrophobicContact CE2-CG1 3.76Å; F359-V427 HydrophobicContact CE2-CG2 3.99Å; F359-V427 HydrophobicContact CZ-CB 3.91Å; F359-V427 HydrophobicContact CZ-CG1 3.54Å; F359-V427 PolarHBondContact N-O 3.42Å; F359-V427 PolarHBondContact O-N 3.47Å; F359-L429 HydrophobicContact CE1-CD1 3.66Å; F359-L429 HydrophobicContact CE1-CG 3.94Å; F359-L429 HydrophobicContact CZ-CD1 3.96Å; F359-L429 HydrophobicContact CZ-CG 4.27Å |
| 360 | R | 91.1 | Very high | 83.8 | Confident | 149 Ų | 149 | 75.5 Ų | 75.5 | 56% | 0.562 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 144.6 | 166.4 | -75 | -171.1 | 164.2 | 101.4 | 8.1 | 110.8 | E362 P388 D425 | R360-E362 PolarHBondContact O-N 2.9Å; R360-P388 WeakPolarHBondContact O-CB 3.24Å; R360-P388 WeakPolarHBondContact O-CG 3.21Å; R360-D425 CarbonylContact C-O 3.51Å; R360-D425 WeakPolarHBondContact CA-O 3.25Å; R360-D425 WeakPolarHBondContact CD-OD1 3.47Å; R360-D425 WeakPolarHBondContact CG-OD1 3.27Å; R360-D425 IonicContact CZ-OD1 2.76Å; R360-D425 IonicContact NE-OD1 2.81Å; R360-D425 PolarHBondContact NE-OD1 2.78Å; R360-D425 IonicContact NE-OD2 3.94Å |
| 361 | K | 88.6 | Confident | 86.1 | Confident | 34 Ų | 34 | 71.5 Ų | 71.5 | 15% | 0.148 | 38% | 0.384 | C | S | . | . | trans | -81.1 | 112.2 | 177.7 | -175.3 | 179.2 | 173.8 | 172.7 | 0 | 110.3 | G364 S365 V366 L420 L421 L423 D425 V427 | K361-G364 WeakPolarHBondContact CE-O 3.48Å; K361-S365 WeakPolarHBondContact CG-O 3.14Å; K361-V366 HydrophobicContact CD-CG2 4.17Å; K361-V366 HydrophobicContact CG-CG2 4.35Å; K361-L420 PolarHBondContact NZ-O 2.79Å; K361-L420 VanDerWaalsContact NZ-O 3.11Å; K361-L421 PolarHBondContact NZ-O 3.01Å; K361-L423 HydrophobicContact CD-CB 4.18Å; K361-L423 VanDerWaalsContact CD-O 3.23Å; K361-L423 WeakPolarHBondContact CD-O 3.41Å; K361-L423 WeakPolarHBondContact CE-O 3.43Å; K361-L423 PolarHBondContact NZ-O 2.76Å; K361-D425 PolarHBondContact N-O 3.5Å; K361-V427 HydrophobicContact CB-CG2 4.01Å | ||
| 362 | E | 83.1 | Confident | 88.2 | Confident | 125 Ų | 125 | 66.9 Ų | 66.9 | 58% | 0.584 | 36% | 0.356 | S | S | * | . | B | Isolated β-bridge | trans | -109.1 | 155.9 | -178.2 | -64.8 | 175.9 | -172.1 | 0 | 0 | 111.3 | R360 G364 S365 P388 | R360-E362 PolarHBondContact O-N 2.9Å; E362-G364 PolarHBondContact O-N 3.22Å; E362-S365 PolarHBondContact O-N 3.47Å; E362-S365 VanDerWaalsContact O-N 3.11Å; E362-P388 HydrophobicContact CB-CG 3.82Å; E362-P388 HydrophobicContact CG-CG 3.82Å |
| 363 | G | 76.2 | Confident | 89.6 | Confident | 89 Ų | 89 | 59.7 Ų | 59.7 | 92% | 0.918 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 16.5 | 180 | 0 | 0 | 0 | 0 | 0 | 115.6 | S365 | G363-S365 PolarHBondContact O-N 2.97Š|
| 364 | G | 78.9 | Confident | 90.2 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 62% | 0.619 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | -0.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K361 E362 | K361-G364 WeakPolarHBondContact CE-O 3.48Å; E362-G364 PolarHBondContact O-N 3.22Å |
| 365 | S | 84.1 | Confident | 90.3 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -119.9 | 152.8 | -176 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | K361 E362 G363 G367 | K361-S365 WeakPolarHBondContact CG-O 3.14Å; E362-S365 PolarHBondContact O-N 3.47Å; E362-S365 VanDerWaalsContact O-N 3.11Å; G363-S365 PolarHBondContact O-N 2.97Å; S365-G367 VanDerWaalsContact C-N 3.31Å; S365-G367 PolarHBondContact OG-N 3.34Å |
| 366 | V | 89.7 | Confident | 90.2 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | trans | -82.8 | -14.1 | 168.5 | 177 | 0 | 0 | 0 | 0 | 111 | F359 K361 V368 A389 L420 L423 | F359-V366 HydrophobicContact CE2-CG1 3.95Å; F359-V366 HydrophobicContact CZ-CG1 3.8Å; K361-V366 HydrophobicContact CD-CG2 4.17Å; K361-V366 HydrophobicContact CG-CG2 4.35Å; V366-V368 VanDerWaalsContact C-N 3.27Å; V366-V368 HydrophobicContact CG1-CB 4.1Å; V366-V368 HydrophobicContact CG1-CG2 3.99Å; V366-V368 PolarHBondContact O-N 3.02Å; V366-A389 VanDerWaalsContact O-CB 3.3Å; V366-A389 WeakPolarHBondContact O-CB 3.47Å; V366-L420 HydrophobicContact CG1-CD2 4.49Å; V366-L423 HydrophobicContact CG2-CD1 4.3Å | ||
| 367 | G | 90.2 | Very high | 90.2 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | trans | 73.3 | 15.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S365 V383 Q384 | S365-G367 VanDerWaalsContact C-N 3.31Å; S365-G367 PolarHBondContact OG-N 3.34Å; G367-V383 CarbonylContact O-C 3.53Å; G367-V383 WeakPolarHBondContact O-CA 3.33Å; G367-Q384 WeakPolarHBondContact O-CB 3.3Å; G367-Q384 PolarHBondContact O-N 3.46Å | ||
| 368 | V | 92.6 | Very high | 90.3 | Very high | 28 Ų | 28 | 47.4 Ų | 47.4 | 17% | 0.17 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.4 | -172.8 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | V366 V370 V380 V383 A389 V394 | V366-V368 VanDerWaalsContact C-N 3.27Å; V366-V368 HydrophobicContact CG1-CB 4.1Å; V366-V368 HydrophobicContact CG1-CG2 3.99Å; V366-V368 PolarHBondContact O-N 3.02Å; V368-V370 HydrophobicContact CG1-CG1 4.15Å; V368-V380 HydrophobicContact CG1-CG1 4.17Å; V368-V380 HydrophobicContact CG1-CG2 3.96Å; V368-V383 HydrophobicContact CG2-CG1 4.27Å; V368-V383 HydrophobicContact CG2-CG2 4.46Å; V368-A389 HydrophobicContact CG2-CB 3.73Å; V368-V394 HydrophobicContact CG2-CG1 4.17Å |
| 369 | R | 92.2 | Very high | 90.4 | Very high | 184 Ų | 184 | 44.9 Ų | 44.9 | 69% | 0.694 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 151 | 164.9 | -50.3 | -171.8 | -152.6 | -161 | 6.5 | 109.7 | S381 A382 | R369-S381 VanDerWaalsContact C-OG 3.31Å; R369-S381 WeakPolarHBondContact CB-OG 3.38Å; R369-S381 PolarHBondContact O-N 2.95Å; R369-S381 PolarHBondContact O-OG 3.17Å; R369-A382 HydrophobicContact CB-CB 4.19Å; R369-A382 HydrophobicContact CG-CB 4.13Å; R369-A382 PolarHBondContact N-O 3.48Å |
| 370 | V | 94.6 | Very high | 90.5 | Very high | 18 Ų | 18 | 44.5 Ų | 44.5 | 11% | 0.109 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 155.1 | -178.8 | -62.8 | 0 | 0 | 0 | 0 | 113.4 | V368 I378 F379 S381 L400 V417 L420 | V368-V370 HydrophobicContact CG1-CG1 4.15Å; V370-I378 HydrophobicContact CB-CG2 3.78Å; V370-I378 HydrophobicContact CG1-CG2 3.72Å; V370-I378 HydrophobicContact CG2-CG2 4.26Å; V370-F379 CarbonylContact C-O 3.55Å; V370-F379 WeakPolarHBondContact CA-O 3.27Å; V370-F379 WeakPolarHBondContact CB-O 3.15Å; V370-S381 PolarHBondContact N-OG 2.9Å; V370-L400 HydrophobicContact CG1-CD1 4.18Å; V370-V417 HydrophobicContact CG2-CG2 3.6Å; V370-L420 HydrophobicContact CG1-CD1 4.07Å |
| 371 | I | 93.2 | Very high | 90.7 | Very high | 38 Ų | 38 | 38.7 Ų | 38.7 | 20% | 0.195 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | -170.5 | 162.4 | 63.7 | 173.8 | 0 | 0 | 0 | 109.7 | F379 Y438 V441 R442 | I371-F379 HydrophobicContact CG1-CB 4.24Å; I371-F379 PolarHBondContact N-O 2.92Å; I371-F379 PolarHBondContact O-N 3.22Å; I371-Y438 HydrophobicContact CD1-CD2 3.83Å; I371-Y438 HydrophobicContact CD1-CE2 3.51Å; I371-Y438 HydrophobicContact CG1-CD2 4.22Å; I371-Y438 HydrophobicContact CG1-CE2 4.02Å; I371-V441 HydrophobicContact CD1-CG1 4.22Å; I371-V441 HydrophobicContact CG1-CG1 4.31Å; I371-R442 HydrophobicContact CD1-CB 3.7Å; I371-R442 HydrophobicContact CD1-CG 4.37Å |
| 372 | G | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.1 | -150.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G377 R413 G447 | G372-G377 CarbonylContact C-O 3.23Å; G372-G377 VanDerWaalsContact CA-O 3.31Å; G372-G377 WeakPolarHBondContact CA-O 3.32Å; G372-R413 VanDerWaalsContact O-CZ 3.28Å; G372-R413 PolarHBondContact O-NE 3.39Å; G372-R413 PolarHBondContact O-NH2 2.64Å; G372-G447 VanDerWaalsContact O-CA 3.28Å; G372-G447 WeakPolarHBondContact O-CA 3.43Å |
| 373 | G | 92 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.5 | -157.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E375 G377 V411 G447 D448 | G373-E375 PolarHBondContact O-N 2.78Å; G373-G377 PolarHBondContact N-O 3.43Å; G373-G377 CarbonylContact O-C 3.54Å; G373-G377 WeakPolarHBondContact O-CA 3.46Å; G373-G377 PolarHBondContact O-N 2.9Å; G373-V411 CarbonylContact C-O 3.56Å; G373-G447 CarbonylContact C-O 3.52Å; G373-G447 VanDerWaalsContact CA-C 3.43Å; G373-G447 VanDerWaalsContact CA-O 3.23Å; G373-G447 WeakPolarHBondContact CA-O 3.45Å; G373-D448 WeakPolarHBondContact CA-OD1 3.32Å |
| 374 | N | 92.6 | Very high | 92.1 | Very high | 27 Ų | 27 | 35.8 Ų | 35.8 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -21.5 | -172.3 | 77.9 | -91.9 | 0 | 0 | 0 | 115.8 | G410 V411 T412 G447 D448 N449 F450 | N374-G410 WeakPolarHBondContact CB-O 3.37Å; N374-V411 WeakPolarHBondContact CA-O 3.48Å; N374-V411 PolarHBondContact N-O 2.94Å; N374-T412 HydrophobicContact CB-CG2 3.94Å; N374-G447 PolarHBondContact N-O 3.44Å; N374-G447 VanDerWaalsContact N-O 3.17Å; N374-D448 PolarHBondContact N-OD1 3.43Å; N374-D448 VanDerWaalsContact OD1-CA 3.25Å; N374-D448 WeakPolarHBondContact OD1-CA 3.46Å; N374-N449 PolarHBondContact ND2-O 3.26Å; N374-N449 PolarHBondContact OD1-N 2.8Å; N374-F450 VanDerWaalsContact OD1-CD1 3.29Å; N374-F450 WeakPolarHBondContact OD1-CD1 3.23Å |
| 375 | E | 93.6 | Very high | 92.7 | Very high | 84 Ų | 84 | 37.2 Ų | 37.2 | 39% | 0.393 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -44.7 | 179.8 | -173.3 | 165.5 | -146.6 | 0 | 0 | 111 | S247 G373 G447 N449 | S247-E375 PolarHBondContact OG-OE1 2.71Å; G373-E375 PolarHBondContact O-N 2.78Å; E375-G447 PolarHBondContact N-O 2.75Å; E375-N449 HydrophobicContact CB-CB 3.87Å; E375-N449 VanDerWaalsContact CD-ND2 3.25Å; E375-N449 HydrophobicContact CG-CB 4.29Å; E375-N449 PolarHBondContact OE1-ND2 3.07Å; E375-N449 VanDerWaalsContact OE1-ND2 3.17Å; E375-N449 WeakPolarHBondContact OE2-CB 3.32Å; E375-N449 PolarHBondContact OE2-ND2 3.43Å |
| 376 | V | 92.1 | Very high | 92.9 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 14% | 0.139 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -12.3 | -172.7 | -60.7 | 0 | 0 | 0 | 0 | 113.8 | F379 K399 V441 I446 | V376-F379 HydrophobicContact CG2-CE2 4.49Å; V376-K399 WeakPolarHBondContact O-CE 3.33Å; V376-K399 PolarHBondContact O-NZ 3.45Å; V376-V441 HydrophobicContact CB-CG2 3.7Å; V376-V441 HydrophobicContact CG1-CG2 4.02Å; V376-V441 HydrophobicContact CG2-CG1 3.93Å; V376-V441 HydrophobicContact CG2-CG2 3.7Å; V376-I446 HydrophobicContact CG1-CB 4.35Å; V376-I446 HydrophobicContact CG1-CD1 3.59Å; V376-I446 HydrophobicContact CG1-CG1 3.9Å |
| 377 | G | 93.8 | Very high | 93 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.7 | 175 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G372 G373 | G372-G377 CarbonylContact C-O 3.23Å; G372-G377 VanDerWaalsContact CA-O 3.31Å; G372-G377 WeakPolarHBondContact CA-O 3.32Å; G373-G377 PolarHBondContact N-O 3.43Å; G373-G377 CarbonylContact O-C 3.54Å; G373-G377 WeakPolarHBondContact O-CA 3.46Å; G373-G377 PolarHBondContact O-N 2.9Å |
| 378 | I | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.1 | -172.6 | -56.5 | -63.2 | 0 | 0 | 0 | 110.5 | V370 K399 L400 M408 A416 | V370-I378 HydrophobicContact CB-CG2 3.78Å; V370-I378 HydrophobicContact CG1-CG2 3.72Å; V370-I378 HydrophobicContact CG2-CG2 4.26Å; I378-K399 CarbonylContact O-C 3.56Å; I378-L400 HydrophobicContact CB-CB 4.46Å; I378-L400 HydrophobicContact CG2-CB 4.48Å; I378-L400 HydrophobicContact CG2-CD1 3.94Å; I378-L400 HydrophobicContact CG2-CG 4.37Å; I378-L400 PolarHBondContact O-N 3Å; I378-M408 HydrophobicContact CB-CE 4.39Å; I378-M408 HydrophobicContact CG1-CE 4.07Å; I378-M408 HydrophobicContact CG2-CE 4.47Å; I378-A416 HydrophobicContact CD1-CB 3.64Å; I378-A416 HydrophobicContact CG1-CB 3.74Å; I378-A416 HydrophobicContact CG2-CB 4.12Å |
| 379 | F | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 142.8 | -179.5 | -65.1 | -102.3 | 0 | 0 | 0 | 112.1 | V370 I371 V376 S381 K399 K434 E437 Y438 V441 | V370-F379 CarbonylContact C-O 3.55Å; V370-F379 WeakPolarHBondContact CA-O 3.27Å; V370-F379 WeakPolarHBondContact CB-O 3.15Å; I371-F379 HydrophobicContact CG1-CB 4.24Å; I371-F379 PolarHBondContact N-O 2.92Å; I371-F379 PolarHBondContact O-N 3.22Å; V376-F379 HydrophobicContact CG2-CE2 4.49Å; F379-S381 PolarHBondContact O-N 3.4Å; F379-K399 HydrophobicContact CD1-CB 3.7Å; F379-K399 HydrophobicContact CD1-CD 4.47Å; F379-K399 HydrophobicContact CD1-CG 3.91Å; F379-K399 HydrophobicContact CD2-CG 4.4Å; F379-K399 HydrophobicContact CE1-CB 3.65Å; F379-K399 HydrophobicContact CE1-CD 3.76Å; F379-K399 HydrophobicContact CE1-CG 3.7Å; F379-K399 HydrophobicContact CE2-CD 4.13Å; F379-K399 HydrophobicContact CE2-CG 4.18Å; F379-K399 HydrophobicContact CG-CB 4.43Å; F379-K399 HydrophobicContact CG-CG 4.28Å; F379-K399 HydrophobicContact CZ-CB 4.32Å; F379-K399 HydrophobicContact CZ-CD 3.57Å; F379-K399 HydrophobicContact CZ-CG 3.85Å; F379-K434 HydrophobicContact CE1-CB 4.23Å; F379-E437 HydrophobicContact CE1-CB 4.14Å; F379-E437 HydrophobicContact CE1-CG 4.42Å; F379-E437 HydrophobicContact CZ-CB 4.08Å; F379-E437 HydrophobicContact CZ-CG 3.86Å; F379-E437 WeakPolarHBondContact CZ-OE1 3.42Å; F379-Y438 HydrophobicContact CB-CD2 3.91Å; F379-Y438 HydrophobicContact CD1-CD2 4.5Å; F379-Y438 HydrophobicContact CG-CD2 4.46Å; F379-V441 HydrophobicContact CD2-CG1 4.27Å; F379-V441 HydrophobicContact CD2-CG2 4.49Å; F379-V441 HydrophobicContact CE2-CB 4.44Å; F379-V441 HydrophobicContact CE2-CG1 4.45Å; F379-V441 HydrophobicContact CE2-CG2 3.88Å; F379-V441 HydrophobicContact CZ-CG2 4.32Å |
| 380 | V | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 121.4 | 169.6 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | V368 V383 V394 K395 P396 G397 D398 L400 Y438 | V368-V380 HydrophobicContact CG1-CG1 4.17Å; V368-V380 HydrophobicContact CG1-CG2 3.96Å; V380-V383 HydrophobicContact CG1-CG2 3.46Å; V380-V383 VanDerWaalsContact CG1-CG2 3.46Å; V380-V394 HydrophobicContact CG1-CG1 4.25Å; V380-V394 HydrophobicContact CG2-CG1 3.88Å; V380-K395 WeakPolarHBondContact CB-O 3.49Å; V380-K395 WeakPolarHBondContact CG1-O 3Å; V380-P396 WeakPolarHBondContact O-CA 3.37Å; V380-G397 PolarHBondContact O-N 3.14Å; V380-D398 HydrophobicContact CB-CB 4.25Å; V380-D398 HydrophobicContact CG2-CB 4.06Å; V380-D398 WeakPolarHBondContact CG2-O 3.37Å; V380-D398 PolarHBondContact N-O 3.07Å; V380-L400 HydrophobicContact CG2-CD2 3.81Å; V380-L400 HydrophobicContact CG2-CG 4.29Å; V380-Y438 WeakPolarHBondContact O-CE2 3.47Å |
| 381 | S | 93.9 | Very high | 93.1 | Very high | 28 Ų | 28 | 38.6 Ų | 38.6 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -29.6 | -179 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | R369 V370 F379 | R369-S381 VanDerWaalsContact C-OG 3.31Å; R369-S381 WeakPolarHBondContact CB-OG 3.38Å; R369-S381 PolarHBondContact O-N 2.95Å; R369-S381 PolarHBondContact O-OG 3.17Å; V370-S381 PolarHBondContact N-OG 2.9Å; F379-S381 PolarHBondContact O-N 3.4Å |
| 382 | A | 93.2 | Very high | 93.1 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 26% | 0.256 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 149.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | R369 | R369-A382 HydrophobicContact CB-CB 4.19Å; R369-A382 HydrophobicContact CG-CB 4.13Å; R369-A382 PolarHBondContact N-O 3.48Å |
| 383 | V | 94.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138.1 | 170 | -167.1 | 0 | 0 | 0 | 0 | 107.5 | G367 V368 V380 A389 A390 V394 | G367-V383 CarbonylContact O-C 3.53Å; G367-V383 WeakPolarHBondContact O-CA 3.33Å; V368-V383 HydrophobicContact CG2-CG1 4.27Å; V368-V383 HydrophobicContact CG2-CG2 4.46Å; V380-V383 HydrophobicContact CG1-CG2 3.46Å; V380-V383 VanDerWaalsContact CG1-CG2 3.46Å; V383-A389 HydrophobicContact CG1-CB 4.17Å; V383-A390 HydrophobicContact CG1-CB 3.82Å; V383-V394 HydrophobicContact CG2-CG1 4.12Å |
| 384 | Q | 91.2 | Very high | 93.2 | Very high | 122 Ų | 122 | 46.4 Ų | 46.4 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | trans | -73.6 | 130 | 177 | -177.1 | -180 | -14.6 | 0 | 0 | 109.1 | G367 S387 A390 | G367-Q384 WeakPolarHBondContact O-CB 3.3Å; G367-Q384 PolarHBondContact O-N 3.46Å; Q384-S387 VanDerWaalsContact O-CB 3.32Å; Q384-S387 WeakPolarHBondContact O-CB 3.46Å; Q384-S387 PolarHBondContact O-N 2.78Å; Q384-S387 PolarHBondContact O-OG 3.36Å; Q384-A390 WeakPolarHBondContact O-CB 3.4Å | ||
| 385 | S | 90.1 | Very high | 93.2 | Very high | 90 Ų | 90 | 48.7 Ų | 48.7 | 63% | 0.629 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | 144.3 | 169.7 | -50.8 | 0 | 0 | 0 | 0 | 110.8 | S387 | S385-S387 PolarHBondContact O-N 2.93Š|
| 386 | D | 88.6 | Confident | 93.3 | Very high | 140 Ų | 140 | 47.8 Ų | 47.8 | 75% | 0.749 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 3.5 | 175.6 | -39.9 | -49.4 | 0 | 0 | 0 | 115.4 | ||
| 387 | S | 91.7 | Very high | 93.4 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | trans | -72.2 | 151.2 | 173.1 | 67.8 | 0 | 0 | 0 | 0 | 112 | Q384 S385 A389 A390 L391 | Q384-S387 VanDerWaalsContact O-CB 3.32Å; Q384-S387 WeakPolarHBondContact O-CB 3.46Å; Q384-S387 PolarHBondContact O-N 2.78Å; Q384-S387 PolarHBondContact O-OG 3.36Å; S385-S387 PolarHBondContact O-N 2.93Å; S387-A389 PolarHBondContact O-N 3.23Å; S387-A389 VanDerWaalsContact O-N 3.09Å; S387-A390 WeakPolarHBondContact O-CB 3.26Å; S387-A390 PolarHBondContact O-N 2.94Å; S387-A390 PolarHBondContact OG-N 3.01Å; S387-L391 WeakPolarHBondContact O-CG 3.13Å; S387-L391 PolarHBondContact O-N 3.28Å | ||
| 388 | P | 91.8 | Very high | 93.5 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 10% | 0.104 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.9 | -28.9 | 176.4 | -28.4 | 36 | 0 | 0 | 0 | 114.3 | F359 R360 E362 R392 | F359-P388 HydrophobicContact CB-CB 3.96Å; F359-P388 HydrophobicContact CD2-CB 3.88Å; F359-P388 HydrophobicContact CG-CB 4.17Å; R360-P388 WeakPolarHBondContact O-CB 3.24Å; R360-P388 WeakPolarHBondContact O-CG 3.21Å; E362-P388 HydrophobicContact CB-CG 3.82Å; E362-P388 HydrophobicContact CG-CG 3.82Å; P388-R392 WeakPolarHBondContact O-CG 3.41Å; P388-R392 PolarHBondContact O-N 3.41Å |
| 389 | A | 93.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.6 | -45.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F359 V366 V368 V383 S387 R392 G393 V394 | F359-A389 HydrophobicContact CE1-CB 4.04Å; F359-A389 HydrophobicContact CE2-CB 4.26Å; F359-A389 HydrophobicContact CZ-CB 3.83Å; V366-A389 VanDerWaalsContact O-CB 3.3Å; V366-A389 WeakPolarHBondContact O-CB 3.47Å; V368-A389 HydrophobicContact CG2-CB 3.73Å; V383-A389 HydrophobicContact CG1-CB 4.17Å; S387-A389 PolarHBondContact O-N 3.23Å; S387-A389 VanDerWaalsContact O-N 3.09Å; A389-R392 PolarHBondContact O-N 2.93Å; A389-G393 PolarHBondContact O-N 3.05Å; A389-V394 HydrophobicContact CB-CB 4.1Å; A389-V394 HydrophobicContact CB-CG2 3.97Å; A389-V394 WeakPolarHBondContact O-CB 3.18Å; A389-V394 WeakPolarHBondContact O-CG2 3.47Å; A389-V394 PolarHBondContact O-N 2.87Å |
| 390 | A | 92.8 | Very high | 93.5 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V383 Q384 S387 R392 G393 | V383-A390 HydrophobicContact CG1-CB 3.82Å; Q384-A390 WeakPolarHBondContact O-CB 3.4Å; S387-A390 WeakPolarHBondContact O-CB 3.26Å; S387-A390 PolarHBondContact O-N 2.94Å; S387-A390 PolarHBondContact OG-N 3.01Å; A390-R392 PolarHBondContact O-N 3.11Å; A390-G393 PolarHBondContact O-N 3.4Å |
| 391 | L | 92.7 | Very high | 93.4 | Very high | 125 Ų | 125 | 49.9 Ų | 49.9 | 65% | 0.654 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.9 | -19.7 | 179.6 | -64.8 | 174.4 | 0 | 0 | 0 | 113.7 | S387 | S387-L391 WeakPolarHBondContact O-CG 3.13Å; S387-L391 PolarHBondContact O-N 3.28Å |
| 392 | R | 93.7 | Very high | 93.6 | Very high | 163 Ų | 163 | 52.4 Ų | 52.4 | 62% | 0.615 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 13.1 | 171.6 | -60.1 | -53.7 | -171.5 | 113.1 | -0.2 | 114.2 | I357 F359 P388 A389 A390 | I357-R392 HydrophobicContact CG2-CB 3.57Å; I357-R392 WeakPolarHBondContact CG2-O 3.48Å; F359-R392 HydrophobicContact CB-CG 3.87Å; F359-R392 HydrophobicContact CD1-CB 4.46Å; P388-R392 WeakPolarHBondContact O-CG 3.41Å; P388-R392 PolarHBondContact O-N 3.41Å; A389-R392 PolarHBondContact O-N 2.93Å; A390-R392 PolarHBondContact O-N 3.11Å |
| 393 | G | 91.5 | Very high | 93.7 | Very high | 32 Ų | 32 | 50.9 Ų | 50.9 | 33% | 0.33 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | 24.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R355 A389 A390 | R355-G393 PolarHBondContact NH1-O 3.31Å; R355-G393 PolarHBondContact NH2-O 3.26Å; A389-G393 PolarHBondContact O-N 3.05Å; A390-G393 PolarHBondContact O-N 3.4Å |
| 394 | V | 95 | Very high | 93.7 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | trans | -69.4 | 132.8 | 160.1 | -174.7 | 0 | 0 | 0 | 0 | 108.1 | I357 F359 V368 V380 V383 A389 L429 | I357-V394 HydrophobicContact CD1-CG2 3.99Å; I357-V394 HydrophobicContact CG2-CG2 3.99Å; F359-V394 HydrophobicContact CE1-CG2 4.18Å; V368-V394 HydrophobicContact CG2-CG1 4.17Å; V380-V394 HydrophobicContact CG1-CG1 4.25Å; V380-V394 HydrophobicContact CG2-CG1 3.88Å; V383-V394 HydrophobicContact CG2-CG1 4.12Å; A389-V394 HydrophobicContact CB-CB 4.1Å; A389-V394 HydrophobicContact CB-CG2 3.97Å; A389-V394 WeakPolarHBondContact O-CB 3.18Å; A389-V394 WeakPolarHBondContact O-CG2 3.47Å; A389-V394 PolarHBondContact O-N 2.87Å; V394-L429 HydrophobicContact CG2-CD1 3.81Å | ||
| 395 | K | 93.6 | Very high | 93.6 | Very high | 76 Ų | 76 | 52.9 Ų | 52.9 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | trans | -139.8 | 158.1 | -176.6 | 52 | 168.4 | 170.9 | 158.3 | 0 | 112.3 | V380 D398 H433 | V380-K395 WeakPolarHBondContact CB-O 3.49Å; V380-K395 WeakPolarHBondContact CG1-O 3Å; K395-D398 VanDerWaalsContact CG-OD2 3.32Å; K395-D398 WeakPolarHBondContact CG-OD2 3.34Å; K395-D398 PolarHBondContact N-OD2 2.96Å; K395-D398 VanDerWaalsContact O-CB 3.29Å; K395-D398 WeakPolarHBondContact O-CB 3.27Å; K395-D398 VanDerWaalsContact O-CG 3.27Å; K395-D398 PolarHBondContact O-N 3.31Å; K395-D398 VanDerWaalsContact O-N 3.15Å; K395-H433 VanDerWaalsContact CE-CE1 3.44Å; K395-H433 WeakPolarHBondContact CE-CE1 3.27Å; K395-H433 VanDerWaalsContact CE-ND1 3.25Å; K395-H433 WeakPolarHBondContact CE-ND1 3.49Å; K395-H433 PolarHBondContact NZ-CD2 3.46Å; K395-H433 PolarHBondContact NZ-CE1 3.12Å; K395-H433 VanDerWaalsContact NZ-CE1 3.26Å; K395-H433 VanDerWaalsContact NZ-CG 3.32Å; K395-H433 PolarHBondContact NZ-ND1 3.35Å; K395-H433 PolarHBondContact NZ-NE2 3.24Å | ||
| 396 | P | 94.3 | Very high | 93.7 | Very high | 64 Ų | 64 | 51.4 Ų | 51.4 | 42% | 0.416 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 142 | 168.7 | -25.3 | 35.7 | 0 | 0 | 0 | 111.8 | V380 D398 H433 | V380-P396 WeakPolarHBondContact O-CA 3.37Å; P396-D398 VanDerWaalsContact C-N 3.32Å; P396-H433 PolarHBondContact O-CE1 3.03Å |
| 397 | G | 93.9 | Very high | 94 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 0.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V380 K399 H433 K434 | V380-G397 PolarHBondContact O-N 3.14Å; G397-K399 PolarHBondContact O-N 3.33Å; G397-H433 PolarHBondContact O-ND1 2.76Å; G397-K434 CarbonylContact O-C 3.59Å; G397-K434 PolarHBondContact O-N 2.9Å |
| 398 | D | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 117.1 | 166.3 | -72.9 | -22.8 | 0 | 0 | 0 | 110.6 | R355 V380 K395 P396 V431 H433 | R355-D398 IonicContact CZ-OD1 2.76Å; R355-D398 IonicContact CZ-OD2 3.89Å; R355-D398 IonicContact NH2-OD1 3.58Å; R355-D398 PolarHBondContact NH2-OD1 3.43Å; R355-D398 IonicContact NH2-OD2 3.5Å; R355-D398 PolarHBondContact NH2-OD2 2.74Å; V380-D398 HydrophobicContact CB-CB 4.25Å; V380-D398 HydrophobicContact CG2-CB 4.06Å; V380-D398 WeakPolarHBondContact CG2-O 3.37Å; V380-D398 PolarHBondContact N-O 3.07Å; K395-D398 VanDerWaalsContact CG-OD2 3.32Å; K395-D398 WeakPolarHBondContact CG-OD2 3.34Å; K395-D398 PolarHBondContact N-OD2 2.96Å; K395-D398 VanDerWaalsContact O-CB 3.29Å; K395-D398 WeakPolarHBondContact O-CB 3.27Å; K395-D398 VanDerWaalsContact O-CG 3.27Å; K395-D398 PolarHBondContact O-N 3.31Å; K395-D398 VanDerWaalsContact O-N 3.15Å; P396-D398 VanDerWaalsContact C-N 3.32Å; D398-V431 HydrophobicContact CB-CB 4.15Å; D398-V431 HydrophobicContact CB-CG2 4.24Å; D398-H433 WeakPolarHBondContact OD1-CB 3.44Å; D398-H433 IonicContact OD1-CG 2.75Å; D398-H433 IonicContact OD1-ND1 3.72Å; D398-H433 PolarHBondContact OD1-ND1 2.73Å |
| 399 | K | 96.8 | Very high | 94.1 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 13% | 0.13 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 122.8 | 169.2 | -164.9 | 174.3 | -167.7 | 171.4 | 0 | 109.4 | V376 I378 F379 G397 L401 V431 Q432 K434 E437 | V376-K399 WeakPolarHBondContact O-CE 3.33Å; V376-K399 PolarHBondContact O-NZ 3.45Å; I378-K399 CarbonylContact O-C 3.56Å; F379-K399 HydrophobicContact CD1-CB 3.7Å; F379-K399 HydrophobicContact CD1-CD 4.47Å; F379-K399 HydrophobicContact CD1-CG 3.91Å; F379-K399 HydrophobicContact CD2-CG 4.4Å; F379-K399 HydrophobicContact CE1-CB 3.65Å; F379-K399 HydrophobicContact CE1-CD 3.76Å; F379-K399 HydrophobicContact CE1-CG 3.7Å; F379-K399 HydrophobicContact CE2-CD 4.13Å; F379-K399 HydrophobicContact CE2-CG 4.18Å; F379-K399 HydrophobicContact CG-CB 4.43Å; F379-K399 HydrophobicContact CG-CG 4.28Å; F379-K399 HydrophobicContact CZ-CB 4.32Å; F379-K399 HydrophobicContact CZ-CD 3.57Å; F379-K399 HydrophobicContact CZ-CG 3.85Å; G397-K399 PolarHBondContact O-N 3.33Å; K399-L401 HydrophobicContact CD-CD2 4.25Å; K399-L401 HydrophobicContact CG-CD2 4.24Å; K399-L401 PolarHBondContact O-N 2.85Å; K399-V431 CarbonylContact O-C 3.54Å; K399-V431 WeakPolarHBondContact O-CA 3.45Å; K399-Q432 WeakPolarHBondContact CB-O 3.22Å; K399-Q432 PolarHBondContact N-O 3.29Å; K399-Q432 PolarHBondContact O-N 3.18Å; K399-K434 HydrophobicContact CD-CD 4.37Å; K399-E437 IonicContact NZ-OE1 2.71Å; K399-E437 PolarHBondContact NZ-OE1 3.13Å |
| 400 | L | 96.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120.4 | 173.2 | -55.3 | -174.7 | 0 | 0 | 0 | 108.8 | V370 I378 V380 V403 M408 L420 L429 V431 | V370-L400 HydrophobicContact CG1-CD1 4.18Å; I378-L400 HydrophobicContact CB-CB 4.46Å; I378-L400 HydrophobicContact CG2-CB 4.48Å; I378-L400 HydrophobicContact CG2-CD1 3.94Å; I378-L400 HydrophobicContact CG2-CG 4.37Å; I378-L400 PolarHBondContact O-N 3Å; V380-L400 HydrophobicContact CG2-CD2 3.81Å; V380-L400 HydrophobicContact CG2-CG 4.29Å; L400-V403 HydrophobicContact CD1-CG2 4.36Å; L400-M408 HydrophobicContact CB-CB 4.42Å; L400-M408 HydrophobicContact CB-CG 4.11Å; L400-M408 WeakPolarHBondContact O-CB 3.46Å; L400-L420 HydrophobicContact CD1-CD1 4.34Å; L400-L429 HydrophobicContact CD2-CD1 4.44Å; L400-V431 HydrophobicContact CD2-CG1 3.57Å |
| 401 | L | 95.8 | Very high | 94 | Very high | 41 Ų | 41 | 52.8 Ų | 52.8 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -41.1 | 177.9 | -57.8 | -177.8 | 0 | 0 | 0 | 111.7 | P354 K399 M408 L430 Q432 | P354-L401 HydrophobicContact CB-CD1 4.42Å; P354-L401 HydrophobicContact CG-CD1 4.48Å; K399-L401 HydrophobicContact CD-CD2 4.25Å; K399-L401 HydrophobicContact CG-CD2 4.24Å; K399-L401 PolarHBondContact O-N 2.85Å; L401-M408 PolarHBondContact O-N 3.43Å; L401-L430 HydrophobicContact CB-CD2 4.31Å; L401-L430 HydrophobicContact CB-CG 4.33Å; L401-L430 WeakPolarHBondContact CB-O 3.2Å; L401-L430 PolarHBondContact N-O 2.79Å; L401-Q432 HydrophobicContact CD1-CB 3.91Å; L401-Q432 HydrophobicContact CG-CB 4.41Å |
| 402 | R | 96.7 | Very high | 94.1 | Very high | 81 Ų | 81 | 46.9 Ų | 46.9 | 31% | 0.306 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 144.7 | 175.9 | 175.1 | 176.6 | 61.5 | 80.3 | 0.9 | 109.8 | H356 N404 K406 L430 | H356-R402 PolarHBondContact NE2-NH2 2.74Å; R402-N404 WeakPolarHBondContact CD-O 3.14Å; R402-N404 VanDerWaalsContact CG-O 3.24Å; R402-N404 WeakPolarHBondContact CG-O 3.33Å; R402-N404 PolarHBondContact NH1-O 3.11Å; R402-K406 CarbonylContact C-O 3.5Å; R402-K406 WeakPolarHBondContact CA-O 3.38Å; R402-K406 WeakPolarHBondContact CG-O 3.47Å; R402-L430 HydrophobicContact CB-CB 3.93Å; R402-L430 HydrophobicContact CB-CD2 4.49Å; R402-L430 PolarHBondContact N-O 2.85Å; R402-L430 PolarHBondContact O-N 2.56Å |
| 403 | V | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 114.9 | 174.8 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | L400 N405 K406 M408 F419 L420 L423 L429 | L400-V403 HydrophobicContact CD1-CG2 4.36Å; V403-N405 PolarHBondContact O-N 3.47Å; V403-N405 VanDerWaalsContact O-N 3.11Å; V403-K406 PolarHBondContact N-O 3.45Å; V403-K406 PolarHBondContact O-N 3.11Å; V403-M408 HydrophobicContact CB-CG 4.42Å; V403-M408 HydrophobicContact CB-SD 3.99Å; V403-M408 HydrophobicContact CG2-CE 4.34Å; V403-M408 HydrophobicContact CG2-CG 3.69Å; V403-M408 HydrophobicContact CG2-SD 3.61Å; V403-F419 HydrophobicContact CB-CD1 4.23Å; V403-F419 HydrophobicContact CB-CE1 3.88Å; V403-F419 HydrophobicContact CG1-CD1 4.02Å; V403-F419 HydrophobicContact CG1-CE1 3.69Å; V403-F419 WeakPolarHBondContact O-CE1 3.27Å; V403-L420 HydrophobicContact CG1-CD2 4.05Å; V403-L420 HydrophobicContact CG2-CD2 4.39Å; V403-L423 HydrophobicContact CG1-CD1 3.69Å; V403-L423 HydrophobicContact CG1-CD2 4.25Å; V403-L429 HydrophobicContact CB-CD2 4.32Å; V403-L429 HydrophobicContact CG1-CD2 3.92Å; V403-L429 HydrophobicContact CG2-CD2 3.88Å |
| 404 | N | 93.9 | Very high | 94.5 | Very high | 35 Ų | 35 | 39 Ų | 39 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | -114.2 | -165.7 | -61.7 | 32.7 | 0 | 0 | 0 | 109.6 | R402 Q426 V427 D428 | R402-N404 WeakPolarHBondContact CD-O 3.14Å; R402-N404 VanDerWaalsContact CG-O 3.24Å; R402-N404 WeakPolarHBondContact CG-O 3.33Å; R402-N404 PolarHBondContact NH1-O 3.11Å; N404-Q426 PolarHBondContact ND2-O 2.74Å; N404-V427 WeakPolarHBondContact OD1-CA 3.41Å; N404-D428 PolarHBondContact N-O 3.49Å; N404-D428 PolarHBondContact OD1-N 3.26Å |
| 405 | N | 90.8 | Very high | 94.5 | Very high | 162 Ų | 162 | 42.2 Ų | 42.2 | 87% | 0.866 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 4.3 | -179.7 | -63.6 | -14.1 | 0 | 0 | 0 | 114.1 | V403 | V403-N405 PolarHBondContact O-N 3.47Å; V403-N405 VanDerWaalsContact O-N 3.11Å |
| 406 | K | 92.2 | Very high | 94.6 | Very high | 60 Ų | 60 | 38.6 Ų | 38.6 | 26% | 0.261 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.9 | -179.8 | -172.6 | -176.7 | 176.3 | -174.6 | 0 | 110.9 | R402 V403 E415 F419 | R402-K406 CarbonylContact C-O 3.5Å; R402-K406 WeakPolarHBondContact CA-O 3.38Å; R402-K406 WeakPolarHBondContact CG-O 3.47Å; V403-K406 PolarHBondContact N-O 3.45Å; V403-K406 PolarHBondContact O-N 3.11Å; K406-E415 PolarHBondContact NZ-O 2.83Å; K406-E415 VanDerWaalsContact NZ-O 3.17Å; K406-F419 HydrophobicContact CB-CD1 4.31Å; K406-F419 HydrophobicContact CB-CE1 3.58Å; K406-F419 HydrophobicContact CB-CE2 4.12Å; K406-F419 HydrophobicContact CB-CZ 3.47Å; K406-F419 VanDerWaalsContact CB-CZ 3.47Å; K406-F419 HydrophobicContact CD-CB 4.3Å; K406-F419 HydrophobicContact CD-CD1 3.69Å; K406-F419 HydrophobicContact CD-CD2 3.65Å; K406-F419 HydrophobicContact CD-CE1 3.82Å; K406-F419 HydrophobicContact CD-CE2 3.79Å; K406-F419 HydrophobicContact CD-CG 3.6Å; K406-F419 HydrophobicContact CD-CZ 3.88Å; K406-F419 HydrophobicContact CG-CE1 4.29Å; K406-F419 HydrophobicContact CG-CZ 4.27Å |
| 407 | S | 94.1 | Very high | 94.6 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 48% | 0.476 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 140 | 165.5 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | V409 V411 | S407-V409 PolarHBondContact OG-N 3.01Å; S407-V411 VanDerWaalsContact O-CG2 3.28Å; S407-V411 WeakPolarHBondContact O-CG2 3.24Å |
| 408 | M | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | trans | -96.9 | -1.8 | 177.7 | -57.9 | -56.2 | -66.9 | 0 | 0 | 112.9 | I378 L400 L401 V403 G410 V411 A416 | I378-M408 HydrophobicContact CB-CE 4.39Å; I378-M408 HydrophobicContact CG1-CE 4.07Å; I378-M408 HydrophobicContact CG2-CE 4.47Å; L400-M408 HydrophobicContact CB-CB 4.42Å; L400-M408 HydrophobicContact CB-CG 4.11Å; L400-M408 WeakPolarHBondContact O-CB 3.46Å; L401-M408 PolarHBondContact O-N 3.43Å; V403-M408 HydrophobicContact CB-CG 4.42Å; V403-M408 HydrophobicContact CB-SD 3.99Å; V403-M408 HydrophobicContact CG2-CE 4.34Å; V403-M408 HydrophobicContact CG2-CG 3.69Å; V403-M408 HydrophobicContact CG2-SD 3.61Å; M408-G410 PolarHBondContact O-N 3.29Å; M408-V411 HydrophobicContact CE-CG1 4.38Å; M408-V411 PolarHBondContact O-N 2.85Å; M408-A416 HydrophobicContact CE-CB 3.58Å | ||
| 409 | V | 90.5 | Very high | 94.5 | Very high | 110 Ų | 110 | 44.2 Ų | 44.2 | 67% | 0.667 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 127 | 175.3 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | S407 V411 | S407-V409 PolarHBondContact OG-N 3.01Å; V409-V411 PolarHBondContact O-N 2.75Å |
| 410 | G | 89.5 | Confident | 94.3 | Very high | 38 Ų | 38 | 43.4 Ų | 43.4 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 7.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | N374 M408 | N374-G410 WeakPolarHBondContact CB-O 3.37Å; M408-G410 PolarHBondContact O-N 3.29Å |
| 411 | V | 94.1 | Very high | 94 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | trans | -84 | 134.7 | 177.4 | 180 | 0 | 0 | 0 | 0 | 109.7 | G373 N374 S407 M408 V409 E415 A416 | G373-V411 CarbonylContact C-O 3.56Å; N374-V411 WeakPolarHBondContact CA-O 3.48Å; N374-V411 PolarHBondContact N-O 2.94Å; S407-V411 VanDerWaalsContact O-CG2 3.28Å; S407-V411 WeakPolarHBondContact O-CG2 3.24Å; M408-V411 HydrophobicContact CE-CG1 4.38Å; M408-V411 PolarHBondContact O-N 2.85Å; V409-V411 PolarHBondContact O-N 2.75Å; V411-E415 HydrophobicContact CG1-CB 3.58Å; V411-A416 HydrophobicContact CG1-CB 4.13Å | ||
| 412 | T | 96.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | trans | -74.3 | 162.7 | 178.8 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | N374 E414 E415 A416 D448 F450 T479 | N374-T412 HydrophobicContact CB-CG2 3.94Å; T412-E414 VanDerWaalsContact C-N 3.32Å; T412-E414 PolarHBondContact O-N 2.88Å; T412-E415 PolarHBondContact N-OE2 2.93Å; T412-E415 PolarHBondContact O-N 2.88Å; T412-E415 WeakPolarHBondContact OG1-CB 3.27Å; T412-E415 WeakPolarHBondContact OG1-CG 3.04Å; T412-E415 PolarHBondContact OG1-N 2.98Å; T412-E415 PolarHBondContact OG1-OE2 3.24Å; T412-A416 WeakPolarHBondContact O-CB 3.15Å; T412-A416 PolarHBondContact O-N 3.2Å; T412-D448 WeakPolarHBondContact CA-OD1 3.46Å; T412-D448 VanDerWaalsContact CB-OD1 3.26Å; T412-D448 WeakPolarHBondContact CB-OD1 3.46Å; T412-F450 HydrophobicContact CG2-CD1 4.26Å; T412-F450 HydrophobicContact CG2-CE1 3.69Å; T412-F450 HydrophobicContact CG2-CZ 4.3Å; T412-T479 HydrophobicContact CG2-CG2 4.06Å | ||
| 413 | R | 95.7 | Very high | 93.5 | Very high | 21 Ų | 21 | 46 Ų | 46 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.3 | -43.7 | 177.8 | -167.1 | -178.9 | -70 | 174 | -5.7 | 112.6 | G372 A416 V417 D448 D478 T479 L480 | G372-R413 VanDerWaalsContact O-CZ 3.28Å; G372-R413 PolarHBondContact O-NE 3.39Å; G372-R413 PolarHBondContact O-NH2 2.64Å; R413-A416 PolarHBondContact O-N 3.41Å; R413-V417 WeakPolarHBondContact O-CG2 3.27Å; R413-V417 PolarHBondContact O-N 2.95Å; R413-V417 VanDerWaalsContact O-N 3.09Å; R413-D448 VanDerWaalsContact CB-OD2 3.26Å; R413-D448 WeakPolarHBondContact CB-OD2 3.28Å; R413-D448 PolarHBondContact N-OD1 2.85Å; R413-D448 PolarHBondContact N-OD2 3.36Å; R413-D478 WeakPolarHBondContact CD-OD1 3.3Å; R413-D478 IonicContact CZ-OD1 2.77Å; R413-D478 IonicContact NE-OD1 3.86Å; R413-D478 IonicContact NH1-OD1 2.67Å; R413-D478 PolarHBondContact NH1-OD1 3.26Å; R413-D478 IonicContact NH1-OD2 3.57Å; R413-D478 PolarHBondContact NH1-OD2 3.18Å; R413-T479 PolarHBondContact N-OG1 2.85Å; R413-L480 HydrophobicContact CB-CB 4.35Å; R413-L480 HydrophobicContact CG-CB 3.88Å; R413-L480 HydrophobicContact CG-CD2 4.18Å |
| 414 | E | 96.8 | Very high | 93 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.1 | -45.9 | 175.8 | -168.7 | 177.2 | 68.7 | 0 | 0 | 112.1 | T412 A416 V417 L418 T479 V485 G486 W488 N513 | T412-E414 VanDerWaalsContact C-N 3.32Å; T412-E414 PolarHBondContact O-N 2.88Å; E414-A416 PolarHBondContact O-N 3.36Å; E414-V417 PolarHBondContact O-N 3Å; E414-L418 HydrophobicContact CG-CD1 3.92Å; E414-L418 HydrophobicContact CG-CG 4.37Å; E414-L418 WeakPolarHBondContact O-CB 3.31Å; E414-L418 WeakPolarHBondContact O-CG 3.01Å; E414-L418 PolarHBondContact O-N 2.79Å; E414-T479 WeakPolarHBondContact CB-O 3.45Å; E414-T479 WeakPolarHBondContact CB-OG1 3.4Å; E414-T479 PolarHBondContact N-OG1 3.12Å; E414-V485 HydrophobicContact CG-CG1 4.13Å; E414-V485 HydrophobicContact CG-CG2 4.31Å; E414-V485 WeakPolarHBondContact OE2-CG1 3.34Å; E414-G486 PolarHBondContact OE2-N 3.05Å; E414-W488 PolarHBondContact OE1-NE1 3.36Å; E414-N513 PolarHBondContact OE1-ND2 3.45Å; E414-N513 WeakPolarHBondContact OE2-CB 3.44Å; E414-N513 PolarHBondContact OE2-ND2 3.03Å |
| 415 | E | 95.5 | Very high | 92.5 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 34% | 0.341 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.3 | -26.4 | 178.2 | -70.8 | 164.6 | 173 | 0 | 0 | 112.9 | K406 V411 T412 F419 R577 | K406-E415 PolarHBondContact NZ-O 2.83Å; K406-E415 VanDerWaalsContact NZ-O 3.17Å; V411-E415 HydrophobicContact CG1-CB 3.58Å; T412-E415 PolarHBondContact N-OE2 2.93Å; T412-E415 PolarHBondContact O-N 2.88Å; T412-E415 WeakPolarHBondContact OG1-CB 3.27Å; T412-E415 WeakPolarHBondContact OG1-CG 3.04Å; T412-E415 PolarHBondContact OG1-N 2.98Å; T412-E415 PolarHBondContact OG1-OE2 3.24Å; E415-F419 VanDerWaalsContact O-CB 3.31Å; E415-F419 WeakPolarHBondContact O-CB 3.13Å; E415-F419 PolarHBondContact O-N 3.32Å; E415-R577 IonicContact OE1-NH2 3.03Å; E415-R577 PolarHBondContact OE1-NH2 3.19Å; E415-R577 IonicContact OE2-NH2 3.71Å |
| 416 | A | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -77.7 | -48.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I378 M408 V411 T412 R413 E414 F419 L420 | I378-A416 HydrophobicContact CD1-CB 3.64Å; I378-A416 HydrophobicContact CG1-CB 3.74Å; I378-A416 HydrophobicContact CG2-CB 4.12Å; M408-A416 HydrophobicContact CE-CB 3.58Å; V411-A416 HydrophobicContact CG1-CB 4.13Å; T412-A416 WeakPolarHBondContact O-CB 3.15Å; T412-A416 PolarHBondContact O-N 3.2Å; R413-A416 PolarHBondContact O-N 3.41Å; E414-A416 PolarHBondContact O-N 3.36Å; A416-F419 PolarHBondContact O-N 3.5Å; A416-L420 WeakPolarHBondContact O-CG 3.45Å; A416-L420 PolarHBondContact O-N 3.42Å |
| 417 | V | 94.4 | Very high | 92.5 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 19% | 0.194 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 177.2 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | V370 R413 E414 F419 L420 L421 L480 V485 | V370-V417 HydrophobicContact CG2-CG2 3.6Å; R413-V417 WeakPolarHBondContact O-CG2 3.27Å; R413-V417 PolarHBondContact O-N 2.95Å; R413-V417 VanDerWaalsContact O-N 3.09Å; E414-V417 PolarHBondContact O-N 3Å; V417-F419 VanDerWaalsContact C-N 3.27Å; V417-F419 PolarHBondContact O-N 2.89Å; V417-L420 PolarHBondContact O-N 3.21Å; V417-L421 HydrophobicContact CG1-CD1 3.8Å; V417-L421 HydrophobicContact CG1-CG 4.36Å; V417-L421 WeakPolarHBondContact O-CB 3.14Å; V417-L421 VanDerWaalsContact O-CG 3.28Å; V417-L421 WeakPolarHBondContact O-CG 3.48Å; V417-L421 PolarHBondContact O-N 2.85Å; V417-L480 HydrophobicContact CG2-CD2 4.04Å; V417-V485 HydrophobicContact CG1-CG2 4.5Å |
| 418 | L | 93.7 | Very high | 92.6 | Very high | 86 Ų | 86 | 48.5 Ų | 48.5 | 45% | 0.45 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.5 | -36.5 | 177.1 | -72.9 | 174.6 | 0 | 0 | 0 | 112.5 | E414 G422 V485 | E414-L418 HydrophobicContact CG-CD1 3.92Å; E414-L418 HydrophobicContact CG-CG 4.37Å; E414-L418 WeakPolarHBondContact O-CB 3.31Å; E414-L418 WeakPolarHBondContact O-CG 3.01Å; E414-L418 PolarHBondContact O-N 2.79Å; L418-G422 PolarHBondContact O-N 3.45Å; L418-V485 HydrophobicContact CD1-CG1 4.46Å; L418-V485 HydrophobicContact CD2-CG1 4.18Å; L418-V485 HydrophobicContact CD2-CG2 4.17Å; L418-V485 HydrophobicContact CG-CG2 4.41Å |
| 419 | F | 94.1 | Very high | 92.6 | Very high | 64 Ų | 64 | 48.6 Ų | 48.6 | 28% | 0.281 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.4 | -46.3 | 177.2 | -171.5 | -108.3 | 0 | 0 | 0 | 112.3 | V403 K406 E415 A416 V417 L421 G422 L423 | V403-F419 HydrophobicContact CB-CD1 4.23Å; V403-F419 HydrophobicContact CB-CE1 3.88Å; V403-F419 HydrophobicContact CG1-CD1 4.02Å; V403-F419 HydrophobicContact CG1-CE1 3.69Å; V403-F419 WeakPolarHBondContact O-CE1 3.27Å; K406-F419 HydrophobicContact CB-CD1 4.31Å; K406-F419 HydrophobicContact CB-CE1 3.58Å; K406-F419 HydrophobicContact CB-CE2 4.12Å; K406-F419 HydrophobicContact CB-CZ 3.47Å; K406-F419 VanDerWaalsContact CB-CZ 3.47Å; K406-F419 HydrophobicContact CD-CB 4.3Å; K406-F419 HydrophobicContact CD-CD1 3.69Å; K406-F419 HydrophobicContact CD-CD2 3.65Å; K406-F419 HydrophobicContact CD-CE1 3.82Å; K406-F419 HydrophobicContact CD-CE2 3.79Å; K406-F419 HydrophobicContact CD-CG 3.6Å; K406-F419 HydrophobicContact CD-CZ 3.88Å; K406-F419 HydrophobicContact CG-CE1 4.29Å; K406-F419 HydrophobicContact CG-CZ 4.27Å; E415-F419 VanDerWaalsContact O-CB 3.31Å; E415-F419 WeakPolarHBondContact O-CB 3.13Å; E415-F419 PolarHBondContact O-N 3.32Å; A416-F419 PolarHBondContact O-N 3.5Å; V417-F419 VanDerWaalsContact C-N 3.27Å; V417-F419 PolarHBondContact O-N 2.89Å; F419-L421 VanDerWaalsContact C-N 3.33Å; F419-L421 PolarHBondContact O-N 3.27Å; F419-G422 WeakPolarHBondContact O-CA 3.18Å; F419-G422 PolarHBondContact O-N 2.76Å; F419-L423 HydrophobicContact CD1-CD2 4.33Å; F419-L423 HydrophobicContact CE1-CD2 3.85Å; F419-L423 HydrophobicContact CZ-CD2 4.03Å; F419-L423 WeakPolarHBondContact O-CG 3.43Å; F419-L423 PolarHBondContact O-N 2.85Å |
| 420 | L | 93 | Very high | 92.9 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 6% | 0.063 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 176.4 | -70 | 166.7 | 0 | 0 | 0 | 112.1 | K361 V366 V370 L400 V403 A416 V417 G422 L423 | K361-L420 PolarHBondContact NZ-O 2.79Å; K361-L420 VanDerWaalsContact NZ-O 3.11Å; V366-L420 HydrophobicContact CG1-CD2 4.49Å; V370-L420 HydrophobicContact CG1-CD1 4.07Å; L400-L420 HydrophobicContact CD1-CD1 4.34Å; V403-L420 HydrophobicContact CG1-CD2 4.05Å; V403-L420 HydrophobicContact CG2-CD2 4.39Å; A416-L420 WeakPolarHBondContact O-CG 3.45Å; A416-L420 PolarHBondContact O-N 3.42Å; V417-L420 PolarHBondContact O-N 3.21Å; L420-G422 VanDerWaalsContact C-N 3.3Å; L420-G422 PolarHBondContact O-N 2.72Å; L420-L423 HydrophobicContact CD2-CD1 4.12Å; L420-L423 PolarHBondContact O-N 3Å |
| 421 | L | 90.8 | Very high | 93.2 | Very high | 110 Ų | 110 | 43.7 Ų | 43.7 | 58% | 0.576 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -63.1 | -34.9 | 172.6 | -70.9 | 172.1 | 0 | 0 | 0 | 112.2 | K361 V417 F419 | K361-L421 PolarHBondContact NZ-O 3.01Å; V417-L421 HydrophobicContact CG1-CD1 3.8Å; V417-L421 HydrophobicContact CG1-CG 4.36Å; V417-L421 WeakPolarHBondContact O-CB 3.14Å; V417-L421 VanDerWaalsContact O-CG 3.28Å; V417-L421 WeakPolarHBondContact O-CG 3.48Å; V417-L421 PolarHBondContact O-N 2.85Å; F419-L421 VanDerWaalsContact C-N 3.33Å; F419-L421 PolarHBondContact O-N 3.27Å |
| 422 | G | 90.9 | Very high | 93.2 | Very high | 53 Ų | 53 | 45 Ų | 45 | 55% | 0.546 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -77.5 | -14.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | L418 F419 L420 | L418-G422 PolarHBondContact O-N 3.45Å; F419-G422 WeakPolarHBondContact O-CA 3.18Å; F419-G422 PolarHBondContact O-N 2.76Å; L420-G422 VanDerWaalsContact C-N 3.3Å; L420-G422 PolarHBondContact O-N 2.72Å |
| 423 | L | 91.2 | Very high | 93.2 | Very high | 17 Ų | 17 | 47.4 Ų | 47.4 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | trans | -60.2 | 151.4 | -179.6 | -62.8 | 178 | 0 | 0 | 0 | 113.1 | K361 V366 V403 F419 L420 V427 | K361-L423 HydrophobicContact CD-CB 4.18Å; K361-L423 VanDerWaalsContact CD-O 3.23Å; K361-L423 WeakPolarHBondContact CD-O 3.41Å; K361-L423 WeakPolarHBondContact CE-O 3.43Å; K361-L423 PolarHBondContact NZ-O 2.76Å; V366-L423 HydrophobicContact CG2-CD1 4.3Å; V403-L423 HydrophobicContact CG1-CD1 3.69Å; V403-L423 HydrophobicContact CG1-CD2 4.25Å; F419-L423 HydrophobicContact CD1-CD2 4.33Å; F419-L423 HydrophobicContact CE1-CD2 3.85Å; F419-L423 HydrophobicContact CZ-CD2 4.03Å; F419-L423 WeakPolarHBondContact O-CG 3.43Å; F419-L423 PolarHBondContact O-N 2.85Å; L420-L423 HydrophobicContact CD2-CD1 4.12Å; L420-L423 PolarHBondContact O-N 3Å; L423-V427 HydrophobicContact CB-CG2 4.25Å; L423-V427 HydrophobicContact CD1-CB 4.4Å; L423-V427 HydrophobicContact CD1-CG1 3.79Å; L423-V427 HydrophobicContact CD1-CG2 3.82Å | ||
| 424 | Q | 85.4 | Confident | 93.1 | Very high | 166 Ų | 166 | 49.6 Ų | 49.6 | 78% | 0.776 | 26% | 0.257 | S | S | * | . | trans | -134.7 | 145.7 | -179.8 | -59.4 | -177.6 | 6.4 | 0 | 0 | 110.6 | Q426 | Q424-Q426 PolarHBondContact O-N 2.94Š| ||
| 425 | D | 82.7 | Confident | 92.9 | Very high | 96 Ų | 96 | 53.8 Ų | 53.8 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 45.2 | -101.5 | -177.4 | -171.1 | 16.9 | 0 | 0 | 0 | 113.9 | R360 K361 | R360-D425 CarbonylContact C-O 3.51Å; R360-D425 WeakPolarHBondContact CA-O 3.25Å; R360-D425 WeakPolarHBondContact CD-OD1 3.47Å; R360-D425 WeakPolarHBondContact CG-OD1 3.27Å; R360-D425 IonicContact CZ-OD1 2.76Å; R360-D425 IonicContact NE-OD1 2.81Å; R360-D425 PolarHBondContact NE-OD1 2.78Å; R360-D425 IonicContact NE-OD2 3.94Å; K361-D425 PolarHBondContact N-O 3.5Å |
| 426 | Q | 89.7 | Confident | 92.6 | Very high | 85 Ų | 85 | 55.8 Ų | 55.8 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 133.2 | -174.8 | -176.7 | 171.3 | -30.4 | 0 | 0 | 113 | T358 N404 Q424 D428 | T358-Q426 HydrophobicContact CG2-CG 3.97Å; N404-Q426 PolarHBondContact ND2-O 2.74Å; Q424-Q426 PolarHBondContact O-N 2.94Å; Q426-D428 PolarHBondContact NE2-OD1 2.73Å; Q426-D428 PolarHBondContact NE2-OD2 2.87Å |
| 427 | V | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 118.8 | 175.3 | -179 | 0 | 0 | 0 | 0 | 109 | T358 F359 K361 N404 L423 L429 | T358-V427 WeakPolarHBondContact CA-O 3.24Å; F359-V427 HydrophobicContact CD2-CB 3.97Å; F359-V427 HydrophobicContact CD2-CG2 4.39Å; F359-V427 HydrophobicContact CE1-CB 4.47Å; F359-V427 HydrophobicContact CE1-CG1 4.14Å; F359-V427 HydrophobicContact CE2-CB 3.64Å; F359-V427 HydrophobicContact CE2-CG1 3.76Å; F359-V427 HydrophobicContact CE2-CG2 3.99Å; F359-V427 HydrophobicContact CZ-CB 3.91Å; F359-V427 HydrophobicContact CZ-CG1 3.54Å; F359-V427 PolarHBondContact N-O 3.42Å; F359-V427 PolarHBondContact O-N 3.47Å; K361-V427 HydrophobicContact CB-CG2 4.01Å; N404-V427 WeakPolarHBondContact OD1-CA 3.41Å; L423-V427 HydrophobicContact CB-CG2 4.25Å; L423-V427 HydrophobicContact CD1-CB 4.4Å; L423-V427 HydrophobicContact CD1-CG1 3.79Å; L423-V427 HydrophobicContact CD1-CG2 3.82Å; V427-L429 HydrophobicContact CG1-CD2 3.58Å; V427-L429 HydrophobicContact CG1-CG 4.04Å |
| 428 | D | 94.7 | Very high | 92.2 | Very high | 32 Ų | 32 | 57.2 Ų | 57.2 | 17% | 0.171 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 105.6 | 177.6 | -61.1 | -56.6 | 0 | 0 | 0 | 109.3 | T358 N404 Q426 | T358-D428 WeakPolarHBondContact CB-OD1 3.4Å; T358-D428 WeakPolarHBondContact CG2-OD1 3.44Å; T358-D428 PolarHBondContact OG1-OD1 3.12Å; N404-D428 PolarHBondContact N-O 3.49Å; N404-D428 PolarHBondContact OD1-N 3.26Å; Q426-D428 PolarHBondContact NE2-OD1 2.73Å; Q426-D428 PolarHBondContact NE2-OD2 2.87Å |
| 429 | L | 96.1 | Very high | 92 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 132.4 | 177.8 | -50 | -177 | 0 | 0 | 0 | 110.4 | H356 I357 F359 V394 L400 V403 V427 V431 | H356-L429 CarbonylContact C-O 3.51Å; H356-L429 WeakPolarHBondContact CA-O 3.45Å; H356-L429 PolarHBondContact CD2-O 2.77Å; I357-L429 HydrophobicContact CB-CB 4.44Å; I357-L429 PolarHBondContact N-O 3.4Å; I357-L429 PolarHBondContact O-N 3.16Å; F359-L429 HydrophobicContact CE1-CD1 3.66Å; F359-L429 HydrophobicContact CE1-CG 3.94Å; F359-L429 HydrophobicContact CZ-CD1 3.96Å; F359-L429 HydrophobicContact CZ-CG 4.27Å; V394-L429 HydrophobicContact CG2-CD1 3.81Å; L400-L429 HydrophobicContact CD2-CD1 4.44Å; V403-L429 HydrophobicContact CB-CD2 4.32Å; V403-L429 HydrophobicContact CG1-CD2 3.92Å; V403-L429 HydrophobicContact CG2-CD2 3.88Å; V427-L429 HydrophobicContact CG1-CD2 3.58Å; V427-L429 HydrophobicContact CG1-CG 4.04Å; L429-V431 HydrophobicContact CB-CG1 3.69Å; L429-V431 HydrophobicContact CD1-CG1 4.27Å |
| 430 | L | 96 | Very high | 91.6 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.8 | 156.3 | -173.3 | 67 | 0 | 0 | 0 | 107.5 | P354 L401 R402 | P354-L430 HydrophobicContact CB-CD1 3.87Å; P354-L430 HydrophobicContact CB-CG 4.33Å; L401-L430 HydrophobicContact CB-CD2 4.31Å; L401-L430 HydrophobicContact CB-CG 4.33Å; L401-L430 WeakPolarHBondContact CB-O 3.2Å; L401-L430 PolarHBondContact N-O 2.79Å; R402-L430 HydrophobicContact CB-CB 3.93Å; R402-L430 HydrophobicContact CB-CD2 4.49Å; R402-L430 PolarHBondContact N-O 2.85Å; R402-L430 PolarHBondContact O-N 2.56Å |
| 431 | V | 96.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 148.7 | -177.6 | -48.7 | 0 | 0 | 0 | 0 | 111.1 | P354 R355 I357 D398 K399 L400 L429 | P354-V431 CarbonylContact C-O 3.44Å; P354-V431 WeakPolarHBondContact CA-O 3.23Å; R355-V431 HydrophobicContact CB-CG2 4.13Å; R355-V431 PolarHBondContact N-O 2.86Å; R355-V431 PolarHBondContact O-N 3.25Å; I357-V431 HydrophobicContact CD1-CG2 3.61Å; I357-V431 HydrophobicContact CG1-CG2 4.3Å; D398-V431 HydrophobicContact CB-CB 4.15Å; D398-V431 HydrophobicContact CB-CG2 4.24Å; K399-V431 CarbonylContact O-C 3.54Å; K399-V431 WeakPolarHBondContact O-CA 3.45Å; L400-V431 HydrophobicContact CD2-CG1 3.57Å; L429-V431 HydrophobicContact CB-CG1 3.69Å; L429-V431 HydrophobicContact CD1-CG1 4.27Å |
| 432 | Q | 95.4 | Very high | 91 | Very high | 41 Ų | 41 | 56.3 Ų | 56.3 | 19% | 0.192 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.6 | 171 | -170.8 | -179.7 | 25.8 | 0 | 0 | 108.8 | Q352 K399 L401 K434 | Q352-Q432 WeakPolarHBondContact O-CG 3.41Å; Q352-Q432 PolarHBondContact O-NE2 3.3Å; K399-Q432 WeakPolarHBondContact CB-O 3.22Å; K399-Q432 PolarHBondContact N-O 3.29Å; K399-Q432 PolarHBondContact O-N 3.18Å; L401-Q432 HydrophobicContact CD1-CB 3.91Å; L401-Q432 HydrophobicContact CG-CB 4.41Å; Q432-K434 HydrophobicContact CG-CG 4.13Å; Q432-K434 PolarHBondContact O-N 3.3Å |
| 433 | H | 95.8 | Very high | 90.4 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 115 | 178.7 | -166 | 62 | 0 | 0 | 0 | 109.5 | K395 P396 G397 D398 | K395-H433 VanDerWaalsContact CE-CE1 3.44Å; K395-H433 WeakPolarHBondContact CE-CE1 3.27Å; K395-H433 VanDerWaalsContact CE-ND1 3.25Å; K395-H433 WeakPolarHBondContact CE-ND1 3.49Å; K395-H433 PolarHBondContact NZ-CD2 3.46Å; K395-H433 PolarHBondContact NZ-CE1 3.12Å; K395-H433 VanDerWaalsContact NZ-CE1 3.26Å; K395-H433 VanDerWaalsContact NZ-CG 3.32Å; K395-H433 PolarHBondContact NZ-ND1 3.35Å; K395-H433 PolarHBondContact NZ-NE2 3.24Å; P396-H433 PolarHBondContact O-CE1 3.03Å; G397-H433 PolarHBondContact O-ND1 2.76Å; D398-H433 WeakPolarHBondContact OD1-CB 3.44Å; D398-H433 IonicContact OD1-CG 2.75Å; D398-H433 IonicContact OD1-ND1 3.72Å; D398-H433 PolarHBondContact OD1-ND1 2.73Å |
| 434 | K | 93.7 | Very high | 89.8 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 29% | 0.291 | 27% | 0.272 | S | S | . | . | trans | -136 | 74.5 | -175.4 | -73.2 | -149.9 | 179.8 | -161.1 | 0 | 109.2 | F379 G397 K399 Q432 D436 E437 Y438 | F379-K434 HydrophobicContact CE1-CB 4.23Å; G397-K434 CarbonylContact O-C 3.59Å; G397-K434 PolarHBondContact O-N 2.9Å; K399-K434 HydrophobicContact CD-CD 4.37Å; Q432-K434 HydrophobicContact CG-CG 4.13Å; Q432-K434 PolarHBondContact O-N 3.3Å; K434-D436 VanDerWaalsContact C-N 3.35Å; K434-D436 PolarHBondContact O-N 3.49Å; K434-E437 HydrophobicContact CB-CB 4.16Å; K434-E437 HydrophobicContact CD-CB 4.29Å; K434-E437 WeakPolarHBondContact CD-OE2 3.39Å; K434-E437 WeakPolarHBondContact CE-OE2 3.18Å; K434-E437 IonicContact NZ-OE2 3.54Å; K434-E437 PolarHBondContact NZ-OE2 3.44Å; K434-Y438 VanDerWaalsContact O-CB 3.29Å; K434-Y438 WeakPolarHBondContact O-CB 3.45Å; K434-Y438 PolarHBondContact O-N 2.92Å | ||
| 435 | K | 91 | Very high | 89.5 | Confident | 99 Ų | 99 | 54.1 Ų | 54.1 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.7 | -47.9 | -174.7 | -170.1 | -169.6 | 176.2 | -101.5 | 0 | 111.6 | Y438 E439 | K435-Y438 CarbonylContact O-C 3.54Å; K435-Y438 WeakPolarHBondContact O-CB 3.46Å; K435-Y438 PolarHBondContact O-N 2.99Å; K435-E439 WeakPolarHBondContact CE-OE1 3.47Å; K435-E439 HydrophobicContact CG-CG 4.49Å; K435-E439 IonicContact NZ-OE1 2.97Å; K435-E439 PolarHBondContact NZ-OE1 3.33Å; K435-E439 IonicContact NZ-OE2 2.9Å; K435-E439 PolarHBondContact NZ-OE2 2.94Å; K435-E439 WeakPolarHBondContact O-CG 3.35Å; K435-E439 PolarHBondContact O-N 3.34Å |
| 436 | D | 89.3 | Confident | 89.5 | Confident | 115 Ų | 115 | 50.8 Ų | 50.8 | 62% | 0.615 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -70.2 | -44.7 | -171 | -30.8 | -51.6 | 0 | 0 | 0 | 110.8 | K434 Y438 E439 Q440 | K434-D436 VanDerWaalsContact C-N 3.35Å; K434-D436 PolarHBondContact O-N 3.49Å; D436-Y438 VanDerWaalsContact C-N 3.29Å; D436-Y438 PolarHBondContact O-N 3.21Å; D436-E439 PolarHBondContact O-N 2.73Å; D436-E439 VanDerWaalsContact O-N 3.16Å; D436-Q440 PolarHBondContact O-N 2.85Å |
| 437 | E | 91 | Very high | 89.3 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.7 | -33.7 | 173.5 | -153.7 | -173.6 | 133.4 | 0 | 0 | 111.7 | F379 K399 K434 V441 | F379-E437 HydrophobicContact CE1-CB 4.14Å; F379-E437 HydrophobicContact CE1-CG 4.42Å; F379-E437 HydrophobicContact CZ-CB 4.08Å; F379-E437 HydrophobicContact CZ-CG 3.86Å; F379-E437 WeakPolarHBondContact CZ-OE1 3.42Å; K399-E437 IonicContact NZ-OE1 2.71Å; K399-E437 PolarHBondContact NZ-OE1 3.13Å; K434-E437 HydrophobicContact CB-CB 4.16Å; K434-E437 HydrophobicContact CD-CB 4.29Å; K434-E437 WeakPolarHBondContact CD-OE2 3.39Å; K434-E437 WeakPolarHBondContact CE-OE2 3.18Å; K434-E437 IonicContact NZ-OE2 3.54Å; K434-E437 PolarHBondContact NZ-OE2 3.44Å; E437-V441 WeakPolarHBondContact O-CB 3.23Å; E437-V441 WeakPolarHBondContact O-CG2 3.26Å; E437-V441 PolarHBondContact O-N 2.88Å |
| 438 | Y | 91.6 | Very high | 89.2 | Confident | 14 Ų | 14 | 47 Ų | 47 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69 | -40.2 | 171.8 | 160.6 | -99 | 0 | 0 | 0 | 112.7 | I371 F379 V380 K434 K435 D436 V441 R442 | I371-Y438 HydrophobicContact CD1-CD2 3.83Å; I371-Y438 HydrophobicContact CD1-CE2 3.51Å; I371-Y438 HydrophobicContact CG1-CD2 4.22Å; I371-Y438 HydrophobicContact CG1-CE2 4.02Å; F379-Y438 HydrophobicContact CB-CD2 3.91Å; F379-Y438 HydrophobicContact CD1-CD2 4.5Å; F379-Y438 HydrophobicContact CG-CD2 4.46Å; V380-Y438 WeakPolarHBondContact O-CE2 3.47Å; K434-Y438 VanDerWaalsContact O-CB 3.29Å; K434-Y438 WeakPolarHBondContact O-CB 3.45Å; K434-Y438 PolarHBondContact O-N 2.92Å; K435-Y438 CarbonylContact O-C 3.54Å; K435-Y438 WeakPolarHBondContact O-CB 3.46Å; K435-Y438 PolarHBondContact O-N 2.99Å; D436-Y438 VanDerWaalsContact C-N 3.29Å; D436-Y438 PolarHBondContact O-N 3.21Å; Y438-V441 PolarHBondContact O-N 2.94Å; Y438-R442 VanDerWaalsContact O-CB 3.25Å; Y438-R442 WeakPolarHBondContact O-CB 3.01Å; Y438-R442 PolarHBondContact O-N 2.72Å; Y438-R442 PolarHBondContact OH-NH1 2.67Å |
| 439 | E | 90.2 | Very high | 89.1 | Confident | 77 Ų | 77 | 47.2 Ų | 47.2 | 36% | 0.36 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69 | -43.3 | 179 | -74.3 | 177.6 | 162.3 | 0 | 0 | 110.5 | K435 D436 V441 R442 C443 | K435-E439 WeakPolarHBondContact CE-OE1 3.47Å; K435-E439 HydrophobicContact CG-CG 4.49Å; K435-E439 IonicContact NZ-OE1 2.97Å; K435-E439 PolarHBondContact NZ-OE1 3.33Å; K435-E439 IonicContact NZ-OE2 2.9Å; K435-E439 PolarHBondContact NZ-OE2 2.94Å; K435-E439 WeakPolarHBondContact O-CG 3.35Å; K435-E439 PolarHBondContact O-N 3.34Å; D436-E439 PolarHBondContact O-N 2.73Å; D436-E439 VanDerWaalsContact O-N 3.16Å; E439-V441 PolarHBondContact O-N 2.8Å; E439-R442 PolarHBondContact O-N 2.98Å; E439-C443 WeakPolarHBondContact O-CB 3.38Å; E439-C443 PolarHBondContact O-N 2.79Å; E439-C443 PolarHBondContact O-SG 2.8Å |
| 440 | Q | 84.8 | Confident | 88.9 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 25% | 0.252 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -50.5 | -56 | 166.3 | 171.2 | -174.1 | 46.8 | 0 | 0 | 111.8 | E10 D436 R442 C443 Q444 I446 | E10-Q440 HydrophobicContact CB-CG 4.33Å; E10-Q440 PolarHBondContact OE1-NE2 3.17Å; E10-Q440 WeakPolarHBondContact OE2-CB 3.45Å; E10-Q440 WeakPolarHBondContact OE2-CG 3.49Å; E10-Q440 PolarHBondContact OE2-NE2 3.06Å; D436-Q440 PolarHBondContact O-N 2.85Å; Q440-R442 VanDerWaalsContact C-N 3.29Å; Q440-R442 PolarHBondContact O-N 3.44Å; Q440-C443 PolarHBondContact O-N 2.92Å; Q440-C443 VanDerWaalsContact O-N 3.14Å; Q440-Q444 PolarHBondContact O-N 2.99Å; Q440-I446 HydrophobicContact CG-CD1 4.38Å |
| 441 | V | 86.4 | Confident | 88.8 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -38.6 | -176.6 | 164.5 | 0 | 0 | 0 | 0 | 112.1 | I371 V376 F379 E437 Y438 E439 N445 I446 | I371-V441 HydrophobicContact CD1-CG1 4.22Å; I371-V441 HydrophobicContact CG1-CG1 4.31Å; V376-V441 HydrophobicContact CB-CG2 3.7Å; V376-V441 HydrophobicContact CG1-CG2 4.02Å; V376-V441 HydrophobicContact CG2-CG1 3.93Å; V376-V441 HydrophobicContact CG2-CG2 3.7Å; F379-V441 HydrophobicContact CD2-CG1 4.27Å; F379-V441 HydrophobicContact CD2-CG2 4.49Å; F379-V441 HydrophobicContact CE2-CB 4.44Å; F379-V441 HydrophobicContact CE2-CG1 4.45Å; F379-V441 HydrophobicContact CE2-CG2 3.88Å; F379-V441 HydrophobicContact CZ-CG2 4.32Å; E437-V441 WeakPolarHBondContact O-CB 3.23Å; E437-V441 WeakPolarHBondContact O-CG2 3.26Å; E437-V441 PolarHBondContact O-N 2.88Å; Y438-V441 PolarHBondContact O-N 2.94Å; E439-V441 PolarHBondContact O-N 2.8Å; V441-N445 PolarHBondContact O-N 2.89Å; V441-I446 HydrophobicContact CB-CG1 4.32Å; V441-I446 HydrophobicContact CG2-CD1 4.12Å; V441-I446 HydrophobicContact CG2-CG1 4.08Å; V441-I446 PolarHBondContact O-N 3.09Å |
| 442 | R | 85.8 | Confident | 88.8 | Confident | 119 Ų | 119 | 47.1 Ų | 47.1 | 45% | 0.449 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.1 | -40.3 | 175 | 177.1 | 175.8 | 165.4 | 166.5 | -8.3 | 112.6 | S48 I371 Y438 E439 Q440 | S48-R442 PolarHBondContact O-NH2 3.14Å; I371-R442 HydrophobicContact CD1-CB 3.7Å; I371-R442 HydrophobicContact CD1-CG 4.37Å; Y438-R442 VanDerWaalsContact O-CB 3.25Å; Y438-R442 WeakPolarHBondContact O-CB 3.01Å; Y438-R442 PolarHBondContact O-N 2.72Å; Y438-R442 PolarHBondContact OH-NH1 2.67Å; E439-R442 PolarHBondContact O-N 2.98Å; Q440-R442 VanDerWaalsContact C-N 3.29Å; Q440-R442 PolarHBondContact O-N 3.44Å |
| 443 | C | 77.2 | Confident | 88.6 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 34% | 0.338 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -79.1 | -41.3 | -173.4 | -78 | 0 | 0 | 0 | 0 | 113 | E10 Q11 E439 Q440 N445 | E10-C443 CarbonylContact O-C 3.57Å; E10-C443 WeakPolarHBondContact O-CB 3.11Å; Q11-C443 HydrophobicContact CG-CB 3.63Å; E439-C443 WeakPolarHBondContact O-CB 3.38Å; E439-C443 PolarHBondContact O-N 2.79Å; E439-C443 PolarHBondContact O-SG 2.8Å; Q440-C443 PolarHBondContact O-N 2.92Å; Q440-C443 VanDerWaalsContact O-N 3.14Å; C443-N445 VanDerWaalsContact C-N 3.29Å |
| 444 | Q | 78.1 | Confident | 88.5 | Confident | 33 Ų | 33 | 44.4 Ų | 44.4 | 15% | 0.154 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -78.7 | -10.6 | 173.3 | -62.6 | -171.8 | -9.5 | 0 | 0 | 113.3 | E10 L13 Q440 I446 | E10-Q444 HydrophobicContact CB-CG 3.89Å; E10-Q444 VanDerWaalsContact CB-NE2 3.27Å; E10-Q444 VanDerWaalsContact CG-NE2 3.33Å; E10-Q444 WeakPolarHBondContact O-CG 3.5Å; E10-Q444 PolarHBondContact O-N 2.89Å; E10-Q444 PolarHBondContact OE1-NE2 2.78Å; E10-Q444 VanDerWaalsContact OE1-NE2 3.11Å; L13-Q444 HydrophobicContact CB-CB 4.02Å; L13-Q444 HydrophobicContact CD1-CB 4.21Å; L13-Q444 HydrophobicContact CD1-CG 4.33Å; Q440-Q444 PolarHBondContact O-N 2.99Å; Q444-I446 HydrophobicContact CB-CD1 4.29Å; Q444-I446 HydrophobicContact CB-CG1 4.14Å; Q444-I446 HydrophobicContact CB-CG2 3.91Å; Q444-I446 PolarHBondContact O-N 2.99Å |
| 445 | N | 79.7 | Confident | 88.4 | Confident | 108 Ų | 108 | 41.9 Ų | 41.9 | 58% | 0.578 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 27.5 | -172.2 | -171 | 47.3 | 0 | 0 | 0 | 114.2 | V441 C443 | V441-N445 PolarHBondContact O-N 2.89Å; C443-N445 VanDerWaalsContact C-N 3.29Å |
| 446 | I | 82.2 | Confident | 88.5 | Confident | 25 Ų | 25 | 37.5 Ų | 37.5 | 13% | 0.128 | 18% | 0.182 | C | C | . | . | trans | -73.5 | 157.8 | 174.9 | 54.4 | -178.1 | 0 | 0 | 0 | 111.5 | L13 V376 Q440 V441 Q444 | L13-I446 HydrophobicContact CB-CG2 4.48Å; L13-I446 HydrophobicContact CD1-CG2 3.83Å; L13-I446 HydrophobicContact CD2-CG2 4.08Å; L13-I446 HydrophobicContact CG-CG2 4.35Å; V376-I446 HydrophobicContact CG1-CB 4.35Å; V376-I446 HydrophobicContact CG1-CD1 3.59Å; V376-I446 HydrophobicContact CG1-CG1 3.9Å; Q440-I446 HydrophobicContact CG-CD1 4.38Å; V441-I446 HydrophobicContact CB-CG1 4.32Å; V441-I446 HydrophobicContact CG2-CD1 4.12Å; V441-I446 HydrophobicContact CG2-CG1 4.08Å; V441-I446 PolarHBondContact O-N 3.09Å; Q444-I446 HydrophobicContact CB-CD1 4.29Å; Q444-I446 HydrophobicContact CB-CG1 4.14Å; Q444-I446 HydrophobicContact CB-CG2 3.91Å; Q444-I446 PolarHBondContact O-N 2.99Å | ||
| 447 | G | 86.7 | Confident | 88.5 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | trans | -176.5 | -89.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | G372 G373 N374 E375 | G372-G447 VanDerWaalsContact O-CA 3.28Å; G372-G447 WeakPolarHBondContact O-CA 3.43Å; G373-G447 CarbonylContact C-O 3.52Å; G373-G447 VanDerWaalsContact CA-C 3.43Å; G373-G447 VanDerWaalsContact CA-O 3.23Å; G373-G447 WeakPolarHBondContact CA-O 3.45Å; N374-G447 PolarHBondContact N-O 3.44Å; N374-G447 VanDerWaalsContact N-O 3.17Å; E375-G447 PolarHBondContact N-O 2.75Å | ||
| 448 | D | 92.3 | Very high | 88.6 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | trans | -89.5 | 139.9 | 177.3 | -62.8 | -46 | 0 | 0 | 0 | 109.8 | G373 N374 T412 R413 F450 T477 T479 | G373-D448 WeakPolarHBondContact CA-OD1 3.32Å; N374-D448 PolarHBondContact N-OD1 3.43Å; N374-D448 VanDerWaalsContact OD1-CA 3.25Å; N374-D448 WeakPolarHBondContact OD1-CA 3.46Å; T412-D448 WeakPolarHBondContact CA-OD1 3.46Å; T412-D448 VanDerWaalsContact CB-OD1 3.26Å; T412-D448 WeakPolarHBondContact CB-OD1 3.46Å; R413-D448 VanDerWaalsContact CB-OD2 3.26Å; R413-D448 WeakPolarHBondContact CB-OD2 3.28Å; R413-D448 PolarHBondContact N-OD1 2.85Å; R413-D448 PolarHBondContact N-OD2 3.36Å; D448-F450 HydrophobicContact CB-CE1 4.41Å; D448-T477 CarbonylContact O-C 3.3Å; D448-T477 VanDerWaalsContact O-CA 3.31Å; D448-T477 WeakPolarHBondContact O-CA 3.21Å; D448-T479 HydrophobicContact CB-CG2 4.19Å; D448-T479 VanDerWaalsContact OD2-CB 3.3Å; D448-T479 WeakPolarHBondContact OD2-CB 3.35Å; D448-T479 WeakPolarHBondContact OD2-CG2 3.07Å; D448-T479 PolarHBondContact OD2-N 3.44Å; D448-T479 PolarHBondContact OD2-OG1 2.93Å | ||
| 449 | N | 91.6 | Very high | 88.3 | Confident | 37 Ų | 37 | 37.7 Ų | 37.7 | 20% | 0.198 | 19% | 0.185 | C | C | . | . | trans | -156 | 104 | 175.2 | -168.7 | -5.9 | 0 | 0 | 0 | 108.9 | N374 E375 Q475 I476 | N374-N449 PolarHBondContact ND2-O 3.26Å; N374-N449 PolarHBondContact OD1-N 2.8Å; E375-N449 HydrophobicContact CB-CB 3.87Å; E375-N449 VanDerWaalsContact CD-ND2 3.25Å; E375-N449 HydrophobicContact CG-CB 4.29Å; E375-N449 PolarHBondContact OE1-ND2 3.07Å; E375-N449 VanDerWaalsContact OE1-ND2 3.17Å; E375-N449 WeakPolarHBondContact OE2-CB 3.32Å; E375-N449 PolarHBondContact OE2-ND2 3.43Å; N449-Q475 PolarHBondContact OD1-NE2 3.08Å; N449-I476 WeakPolarHBondContact CA-O 3.16Å | ||
| 450 | F | 92.6 | Very high | 87.9 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 159.9 | 173.5 | 61.8 | -78.8 | 0 | 0 | 0 | 109.5 | N374 T412 D448 I452 I476 T479 W488 R577 | N374-F450 VanDerWaalsContact OD1-CD1 3.29Å; N374-F450 WeakPolarHBondContact OD1-CD1 3.23Å; T412-F450 HydrophobicContact CG2-CD1 4.26Å; T412-F450 HydrophobicContact CG2-CE1 3.69Å; T412-F450 HydrophobicContact CG2-CZ 4.3Å; D448-F450 HydrophobicContact CB-CE1 4.41Å; F450-I452 HydrophobicContact CD2-CG2 3.83Å; F450-I452 HydrophobicContact CE2-CG2 3.6Å; F450-I476 HydrophobicContact CD1-CB 4.12Å; F450-I476 HydrophobicContact CD2-CB 4.48Å; F450-I476 HydrophobicContact CD2-CG1 4.33Å; F450-I476 HydrophobicContact CE1-CB 3.74Å; F450-I476 HydrophobicContact CE1-CG1 4.34Å; F450-I476 HydrophobicContact CE1-CG2 3.74Å; F450-I476 HydrophobicContact CE2-CB 4.13Å; F450-I476 HydrophobicContact CE2-CG1 3.83Å; F450-I476 HydrophobicContact CG-CB 4.49Å; F450-I476 HydrophobicContact CZ-CB 3.75Å; F450-I476 HydrophobicContact CZ-CG1 3.85Å; F450-I476 HydrophobicContact CZ-CG2 3.78Å; F450-I476 PolarHBondContact N-O 2.82Å; F450-I476 PolarHBondContact O-N 2.91Å; F450-T479 HydrophobicContact CE1-CG2 3.67Å; F450-T479 HydrophobicContact CZ-CG2 3.87Å; F450-W488 HydrophobicContact CE2-CH2 4.34Å; F450-W488 HydrophobicContact CE2-CZ3 4.01Å; F450-W488 HydrophobicContact CZ-CE3 4.35Å; F450-W488 AromaticContact CZ-CH2 3.95Å; F450-W488 HydrophobicContact CZ-CH2 3.95Å; F450-W488 AromaticContact CZ-CZ3 3.78Å; F450-W488 HydrophobicContact CZ-CZ3 3.78Å; F450-R577 HydrophobicContact CD2-CG 4Å; F450-R577 HydrophobicContact CE2-CG 4.31Å |
| 451 | F | 94.2 | Very high | 87.7 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142.7 | 179.1 | -58.3 | -100.5 | 0 | 0 | 0 | 110.7 | F474 Q475 V493 R577 V578 W740 | F451-F474 CarbonylContact C-O 3.52Å; F451-F474 VanDerWaalsContact CA-O 3.24Å; F451-F474 WeakPolarHBondContact CA-O 3.44Å; F451-Q475 HydrophobicContact CD1-CB 3.77Å; F451-Q475 HydrophobicContact CD1-CG 4.15Å; F451-Q475 HydrophobicContact CE1-CB 3.6Å; F451-Q475 HydrophobicContact CE1-CG 3.76Å; F451-Q475 HydrophobicContact CE2-CG 4.44Å; F451-Q475 HydrophobicContact CZ-CB 4.28Å; F451-Q475 HydrophobicContact CZ-CG 3.9Å; F451-V493 HydrophobicContact CD1-CG1 4.46Å; F451-V493 HydrophobicContact CD1-CG2 4.08Å; F451-V493 HydrophobicContact CE1-CG1 4.4Å; F451-V493 HydrophobicContact CE1-CG2 3.9Å; F451-R577 WeakPolarHBondContact O-CA 3.13Å; F451-V578 HydrophobicContact CB-CG2 4.04Å; F451-V578 WeakPolarHBondContact CB-O 3.15Å; F451-V578 PolarHBondContact O-N 3.43Å; F451-W740 HydrophobicContact CB-CE3 4.43Å; F451-W740 HydrophobicContact CB-CH2 4.2Å; F451-W740 HydrophobicContact CB-CZ3 3.67Å; F451-W740 AromaticContact CD1-CH2 3.48Å; F451-W740 HydrophobicContact CD1-CH2 3.48Å; F451-W740 VanDerWaalsContact CD1-CH2 3.48Å; F451-W740 HydrophobicContact CD1-CZ2 4.42Å; F451-W740 AromaticContact CD1-CZ3 3.87Å; F451-W740 HydrophobicContact CD1-CZ3 3.87Å; F451-W740 HydrophobicContact CD2-CH2 4.28Å; F451-W740 HydrophobicContact CD2-CZ3 4.09Å; F451-W740 AromaticContact CE1-CH2 3.85Å; F451-W740 HydrophobicContact CE1-CH2 3.85Å; F451-W740 AromaticContact CG-CH2 3.73Å; F451-W740 HydrophobicContact CG-CH2 3.73Å; F451-W740 AromaticContact CG-CZ3 3.61Å; F451-W740 HydrophobicContact CG-CZ3 3.61Å; F451-W740 HydrophobicContact CZ-CH2 4.42Å |
| 452 | I | 95.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 148.5 | 174.2 | 60 | 163 | 0 | 0 | 0 | 111.5 | F450 V454 I473 F474 I476 I511 Y575 E576 | F450-I452 HydrophobicContact CD2-CG2 3.83Å; F450-I452 HydrophobicContact CE2-CG2 3.6Å; I452-V454 HydrophobicContact CD1-CG1 4.38Å; I452-I473 CarbonylContact O-C 3.5Å; I452-I473 VanDerWaalsContact O-CA 3.23Å; I452-I473 WeakPolarHBondContact O-CA 3.32Å; I452-I473 WeakPolarHBondContact O-CG2 3.25Å; I452-F474 HydrophobicContact CD1-CB 4.4Å; I452-F474 HydrophobicContact CG1-CB 3.92Å; I452-F474 PolarHBondContact N-O 3.26Å; I452-F474 PolarHBondContact O-N 2.89Å; I452-I476 HydrophobicContact CD1-CD1 3.82Å; I452-I476 HydrophobicContact CD1-CG1 4.26Å; I452-I476 HydrophobicContact CG1-CD1 3.98Å; I452-I476 HydrophobicContact CG1-CG1 4.1Å; I452-I476 HydrophobicContact CG2-CG1 4.27Å; I452-I511 HydrophobicContact CD1-CD1 3.89Å; I452-Y575 HydrophobicContact CD1-CD1 3.72Å; I452-Y575 HydrophobicContact CD1-CD2 3.73Å; I452-Y575 HydrophobicContact CD1-CE1 4.11Å; I452-Y575 HydrophobicContact CD1-CE2 4.1Å; I452-Y575 HydrophobicContact CD1-CG 3.52Å; I452-E576 CarbonylContact C-O 3.49Å; I452-E576 WeakPolarHBondContact CA-O 3.07Å |
| 453 | R | 92 | Very high | 87 | Confident | 35 Ų | 35 | 49.9 Ų | 49.9 | 13% | 0.132 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 133.7 | 159.9 | 176.6 | -176.2 | -66.9 | 121.9 | -2.1 | 109.1 | D472 I473 Y575 E576 V578 W740 | R453-D472 WeakPolarHBondContact CA-O 3.48Å; R453-I473 HydrophobicContact CB-CD1 3.65Å; R453-I473 HydrophobicContact CG-CD1 3.9Å; R453-Y575 CarbonylContact O-C 3.55Å; R453-Y575 WeakPolarHBondContact O-CA 3.47Å; R453-E576 HydrophobicContact CB-CB 4.41Å; R453-E576 WeakPolarHBondContact CD-OE2 2.97Å; R453-E576 IonicContact CZ-OE2 3.74Å; R453-E576 PolarHBondContact N-O 2.93Å; R453-E576 IonicContact NE-OE2 3.02Å; R453-E576 IonicContact NH1-OE1 2.71Å; R453-E576 PolarHBondContact NH1-OE1 2.98Å; R453-E576 IonicContact NH1-OE2 2.95Å; R453-E576 PolarHBondContact NH1-OE2 2.78Å; R453-E576 PolarHBondContact O-N 2.81Å; R453-V578 HydrophobicContact CB-CG1 3.98Å; R453-V578 HydrophobicContact CB-CG2 4.49Å; R453-W740 PolarHBondContact NH2-O 3.38Å |
| 454 | V | 94.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 139.8 | 173.8 | -47.1 | 0 | 0 | 0 | 0 | 111.3 | I452 F468 K469 G471 D472 F474 Y575 | I452-V454 HydrophobicContact CD1-CG1 4.38Å; V454-F468 HydrophobicContact CB-CD2 3.95Å; V454-F468 HydrophobicContact CB-CE2 3.97Å; V454-F468 HydrophobicContact CG1-CD2 4.07Å; V454-F468 HydrophobicContact CG1-CE2 4.11Å; V454-F468 HydrophobicContact CG1-CG 4.47Å; V454-F468 HydrophobicContact CG2-CD2 3.62Å; V454-F468 HydrophobicContact CG2-CE2 4.12Å; V454-F468 HydrophobicContact CG2-CG 4.38Å; V454-K469 WeakPolarHBondContact CG2-O 3.27Å; V454-G471 PolarHBondContact O-N 2.68Å; V454-D472 HydrophobicContact CG2-CB 3.89Å; V454-D472 PolarHBondContact N-O 3.49Å; V454-F474 HydrophobicContact CG1-CD2 3.72Å; V454-F474 HydrophobicContact CG1-CE2 3.73Å; V454-Y575 HydrophobicContact CB-CD1 4.13Å; V454-Y575 HydrophobicContact CB-CE1 4.21Å; V454-Y575 HydrophobicContact CG1-CD1 3.71Å; V454-Y575 HydrophobicContact CG1-CE1 3.64Å |
| 455 | H | 91.4 | Very high | 87.7 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | trans | -114.9 | 16.1 | -173.2 | -80.1 | -75.3 | 0 | 0 | 0 | 114.9 | F572 A573 A574 E576 | H455-F572 HydrophobicContact CB-CB 3.97Å; H455-F572 AromaticContact CE1-CD1 3.31Å; H455-F572 WeakPolarHBondContact CE1-CD1 3.36Å; H455-F572 AromaticContact CE1-CE1 3.51Å; H455-F572 AromaticContact CE1-CG 3.73Å; H455-F572 AromaticContact CG-CG 3.98Å; H455-F572 AromaticContact ND1-CD1 3.76Å; H455-F572 AromaticContact ND1-CG 3.67Å; H455-F572 AromaticContact NE2-CD1 3.49Å; H455-F572 WeakPolarHBondContact NE2-CD1 3.36Å; H455-F572 AromaticContact NE2-CE1 3.94Å; H455-A573 WeakPolarHBondContact CB-O 3.48Å; H455-A573 PolarHBondContact CD2-O 2.97Å; H455-A574 PolarHBondContact N-O 2.79Å; H455-E576 IonicContact CD2-OE2 2.87Å; H455-E576 IonicContact CE1-OE2 3.87Å; H455-E576 WeakPolarHBondContact NE2-CB 3.06Å; H455-E576 IonicContact NE2-OE2 3.25Å; H455-E576 PolarHBondContact NE2-OE2 3.11Å | ||
| 456 | F | 91.7 | Very high | 88.2 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -151.4 | 167.1 | 178.4 | 72.7 | -73.8 | 0 | 0 | 0 | 110.5 | F468 K470 A517 L520 A521 A574 Y575 | F456-F468 HydrophobicContact CD1-CE2 4.3Å; F456-F468 HydrophobicContact CD2-CE2 4.48Å; F456-F468 AromaticContact CE1-CE2 3.79Å; F456-F468 HydrophobicContact CE1-CE2 3.79Å; F456-F468 AromaticContact CE1-CZ 3.96Å; F456-F468 HydrophobicContact CE1-CZ 3.96Å; F456-F468 AromaticContact CE2-CE2 4Å; F456-F468 HydrophobicContact CE2-CE2 4Å; F456-F468 HydrophobicContact CE2-CZ 4.11Å; F456-F468 AromaticContact CZ-CE2 3.64Å; F456-F468 HydrophobicContact CZ-CE2 3.64Å; F456-F468 AromaticContact CZ-CZ 3.53Å; F456-F468 HydrophobicContact CZ-CZ 3.53Å; F456-K470 PolarHBondContact O-N 2.89Å; F456-A517 HydrophobicContact CE1-CB 4.13Å; F456-A517 HydrophobicContact CZ-CB 4.16Å; F456-L520 HydrophobicContact CD2-CB 4.48Å; F456-L520 HydrophobicContact CE2-CB 3.66Å; F456-L520 HydrophobicContact CZ-CB 4.08Å; F456-A521 HydrophobicContact CB-CB 3.89Å; F456-A521 HydrophobicContact CD1-CB 3.7Å; F456-A521 HydrophobicContact CD2-CB 4.18Å; F456-A521 HydrophobicContact CE1-CB 4.25Å; F456-A521 HydrophobicContact CG-CB 3.65Å; F456-A574 HydrophobicContact CD1-CB 3.96Å; F456-A574 HydrophobicContact CE1-CB 3.81Å; F456-Y575 HydrophobicContact CE1-CD1 4.4Å; F456-Y575 AromaticContact CE1-CE1 3.94Å; F456-Y575 HydrophobicContact CE1-CE1 3.94Å |
| 457 | D | 90.2 | Very high | 88.5 | Confident | 55 Ų | 55 | 47 Ų | 47 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | trans | -94.1 | 139 | 177.6 | -85.2 | 10.5 | 0 | 0 | 0 | 111.7 | K469 K470 | D457-K469 HydrophobicContact CB-CD 4.32Å; D457-K469 VanDerWaalsContact CG-CD 3.42Å; D457-K469 WeakPolarHBondContact OD1-CA 3.39Å; D457-K469 WeakPolarHBondContact OD1-CD 3.33Å; D457-K469 VanDerWaalsContact OD2-CD 3.26Å; D457-K469 WeakPolarHBondContact OD2-CD 3.48Å; D457-K469 WeakPolarHBondContact OD2-CE 3.07Å; D457-K469 IonicContact OD2-NZ 3.42Å; D457-K469 PolarHBondContact OD2-NZ 3.12Å; D457-K470 PolarHBondContact OD1-N 3.08Å | ||
| 458 | Y | 92.5 | Very high | 88.7 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 4% | 0.043 | 26% | 0.258 | C | S | . | . | trans | -124.3 | 70.6 | 176.7 | -166.5 | -133 | 0 | 0 | 0 | 112.1 | K460 P461 E462 E465 G467 F468 P512 R516 L520 | Y458-K460 VanDerWaalsContact C-N 3.25Å; Y458-K460 VanDerWaalsContact CE2-O 3.27Å; Y458-K460 WeakPolarHBondContact CE2-O 3.24Å; Y458-K460 PolarHBondContact O-N 3.3Å; Y458-K460 PolarHBondContact OH-O 3.23Å; Y458-P461 HydrophobicContact CE1-CB 4.18Å; Y458-E462 PolarHBondContact OH-N 2.99Å; Y458-E465 HydrophobicContact CE1-CB 4.33Å; Y458-E465 PolarHBondContact OH-OE2 3.2Å; Y458-G467 WeakPolarHBondContact O-CA 3.47Å; Y458-F468 HydrophobicContact CD1-CD1 4.18Å; Y458-F468 AromaticContact CD1-CE1 3.68Å; Y458-F468 HydrophobicContact CD1-CE1 3.68Å; Y458-F468 HydrophobicContact CD1-CZ 4.07Å; Y458-F468 HydrophobicContact CG-CE1 4.11Å; Y458-F468 HydrophobicContact CG-CE2 4.5Å; Y458-F468 HydrophobicContact CG-CZ 4.04Å; Y458-F468 PolarHBondContact N-O 2.94Å; Y458-F468 PolarHBondContact O-N 2.92Å; Y458-P512 HydrophobicContact CD1-CG 4.42Å; Y458-P512 HydrophobicContact CE1-CG 3.77Å; Y458-R516 PolarHBondContact OH-NH2 2.78Å; Y458-L520 HydrophobicContact CD2-CD1 4.1Å; Y458-L520 HydrophobicContact CE2-CD1 3.7Å; Y458-L520 HydrophobicContact CE2-CD2 4.13Å | ||
| 459 | D | 84.9 | Confident | 88.5 | Confident | 115 Ų | 115 | 49.8 Ų | 49.8 | 62% | 0.615 | 27% | 0.269 | S | S | * | . | trans | -73.9 | -6.5 | -178.5 | -76.2 | -18 | 0 | 0 | 0 | 115.2 | K469 | D459-K469 VanDerWaalsContact CG-NZ 3.27Å; D459-K469 WeakPolarHBondContact OD1-CE 3.44Å; D459-K469 IonicContact OD1-NZ 3.82Å; D459-K469 PolarHBondContact OD1-NZ 3.21Å; D459-K469 IonicContact OD2-NZ 2.7Å; D459-K469 PolarHBondContact OD2-NZ 3.41Å | ||
| 460 | K | 81.8 | Confident | 88.3 | Confident | 169 Ų | 169 | 50.2 Ų | 50.2 | 74% | 0.735 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -134.2 | 74.2 | -174.9 | -67.1 | -168.5 | 177 | -169.6 | 0 | 110.7 | Y458 | Y458-K460 VanDerWaalsContact C-N 3.25Å; Y458-K460 VanDerWaalsContact CE2-O 3.27Å; Y458-K460 WeakPolarHBondContact CE2-O 3.24Å; Y458-K460 PolarHBondContact O-N 3.3Å; Y458-K460 PolarHBondContact OH-O 3.23Å |
| 461 | P | 80.5 | Confident | 87.9 | Confident | 64 Ų | 64 | 50.2 Ų | 50.2 | 42% | 0.416 | 27% | 0.271 | S | S | . | . | trans | -59.3 | 138.3 | 172 | 24.3 | -33 | 0 | 0 | 0 | 111.4 | Y458 E465 | Y458-P461 HydrophobicContact CE1-CB 4.18Å; P461-E465 HydrophobicContact CB-CB 4Å; P461-E465 WeakPolarHBondContact CB-O 3.29Å | ||
| 462 | E | 79.4 | Confident | 87.6 | Confident | 98 Ų | 98 | 48.8 Ų | 48.8 | 46% | 0.458 | 27% | 0.265 | S | S | . | . | trans | -106 | 163.4 | 171.8 | -59 | 168.4 | 139.6 | 0 | 0 | 108.1 | Y458 G464 E465 R516 | Y458-E462 PolarHBondContact OH-N 2.99Å; E462-G464 PolarHBondContact O-N 3.28Å; E462-E465 VanDerWaalsContact O-CB 3.31Å; E462-E465 WeakPolarHBondContact O-CB 3.43Å; E462-E465 VanDerWaalsContact O-CG 3.27Å; E462-E465 WeakPolarHBondContact O-CG 3.33Å; E462-E465 PolarHBondContact O-N 2.92Å; E462-R516 IonicContact OE2-CZ 2.83Å; E462-R516 IonicContact OE2-NE 3.96Å; E462-R516 IonicContact OE2-NH2 2.67Å; E462-R516 PolarHBondContact OE2-NH2 3.39Å | ||
| 463 | H | 79.4 | Confident | 87.2 | Confident | 178 Ų | 178 | 48.9 Ų | 48.9 | 82% | 0.824 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 18.3 | 169.1 | -52.8 | -67.5 | 0 | 0 | 0 | 118.2 | ||
| 464 | G | 78.7 | Confident | 87.2 | Confident | 74 Ų | 74 | 47.3 Ų | 47.3 | 76% | 0.763 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | 16.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E462 | E462-G464 PolarHBondContact O-N 3.28Š|
| 465 | E | 90.3 | Very high | 87.2 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 7% | 0.065 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -71 | 163 | 177.1 | -67.9 | 171.4 | 144.3 | 0 | 0 | 113.2 | Y458 P461 E462 S487 V510 R516 | Y458-E465 HydrophobicContact CE1-CB 4.33Å; Y458-E465 PolarHBondContact OH-OE2 3.2Å; P461-E465 HydrophobicContact CB-CB 4Å; P461-E465 WeakPolarHBondContact CB-O 3.29Å; E462-E465 VanDerWaalsContact O-CB 3.31Å; E462-E465 WeakPolarHBondContact O-CB 3.43Å; E462-E465 VanDerWaalsContact O-CG 3.27Å; E462-E465 WeakPolarHBondContact O-CG 3.33Å; E462-E465 PolarHBondContact O-N 2.92Å; E465-S487 PolarHBondContact OE1-OG 3.48Å; E465-V510 CarbonylContact C-O 3.6Å; E465-V510 VanDerWaalsContact CA-O 3.27Å; E465-V510 WeakPolarHBondContact CA-O 3.35Å; E465-V510 WeakPolarHBondContact CB-O 3.44Å; E465-V510 HydrophobicContact CG-CB 4.38Å; E465-V510 HydrophobicContact CG-CG1 4.17Å; E465-R516 IonicContact OE1-CZ 3.78Å; E465-R516 IonicContact OE1-NH1 3.96Å; E465-R516 PolarHBondContact OE1-NH1 2.98Å; E465-R516 IonicContact OE1-NH2 2.69Å; E465-R516 IonicContact OE2-CZ 2.68Å; E465-R516 VanDerWaalsContact OE2-CZ 3.28Å; E465-R516 IonicContact OE2-NH1 2.71Å; E465-R516 PolarHBondContact OE2-NH1 3.48Å; E465-R516 IonicContact OE2-NH2 2.99Å; E465-R516 PolarHBondContact OE2-NH2 2.89Å |
| 466 | M | 89.6 | Confident | 87.4 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 14% | 0.138 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 127.1 | 174.5 | 175.1 | 162.5 | 46.6 | 0 | 0 | 109.7 | F474 C492 M507 V510 I511 | M466-F474 HydrophobicContact CE-CD1 4.06Å; M466-F474 HydrophobicContact CE-CE1 3.57Å; M466-F474 HydrophobicContact SD-CE1 4.16Å; M466-C492 HydrophobicContact SD-CB 4.46Å; M466-M507 HydrophobicContact SD-CB 3.9Å; M466-V510 PolarHBondContact N-O 3.43Å; M466-I511 HydrophobicContact CB-CG2 4.39Å; M466-I511 HydrophobicContact CE-CG2 4.32Å |
| 467 | G | 89.4 | Confident | 87.4 | Confident | 38 Ų | 38 | 50.3 Ų | 50.3 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 150.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y458 | Y458-G467 WeakPolarHBondContact O-CA 3.47Š|
| 468 | F | 91.7 | Very high | 87.5 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | trans | -149.5 | 165.2 | -176 | 53.8 | -106.2 | 0 | 0 | 0 | 112.4 | V454 F456 Y458 F474 I511 Y575 | V454-F468 HydrophobicContact CB-CD2 3.95Å; V454-F468 HydrophobicContact CB-CE2 3.97Å; V454-F468 HydrophobicContact CG1-CD2 4.07Å; V454-F468 HydrophobicContact CG1-CE2 4.11Å; V454-F468 HydrophobicContact CG1-CG 4.47Å; V454-F468 HydrophobicContact CG2-CD2 3.62Å; V454-F468 HydrophobicContact CG2-CE2 4.12Å; V454-F468 HydrophobicContact CG2-CG 4.38Å; F456-F468 HydrophobicContact CD1-CE2 4.3Å; F456-F468 HydrophobicContact CD2-CE2 4.48Å; F456-F468 AromaticContact CE1-CE2 3.79Å; F456-F468 HydrophobicContact CE1-CE2 3.79Å; F456-F468 AromaticContact CE1-CZ 3.96Å; F456-F468 HydrophobicContact CE1-CZ 3.96Å; F456-F468 AromaticContact CE2-CE2 4Å; F456-F468 HydrophobicContact CE2-CE2 4Å; F456-F468 HydrophobicContact CE2-CZ 4.11Å; F456-F468 AromaticContact CZ-CE2 3.64Å; F456-F468 HydrophobicContact CZ-CE2 3.64Å; F456-F468 AromaticContact CZ-CZ 3.53Å; F456-F468 HydrophobicContact CZ-CZ 3.53Å; Y458-F468 HydrophobicContact CD1-CD1 4.18Å; Y458-F468 AromaticContact CD1-CE1 3.68Å; Y458-F468 HydrophobicContact CD1-CE1 3.68Å; Y458-F468 HydrophobicContact CD1-CZ 4.07Å; Y458-F468 HydrophobicContact CG-CE1 4.11Å; Y458-F468 HydrophobicContact CG-CE2 4.5Å; Y458-F468 HydrophobicContact CG-CZ 4.04Å; Y458-F468 PolarHBondContact N-O 2.94Å; Y458-F468 PolarHBondContact O-N 2.92Å; F468-F474 HydrophobicContact CB-CE2 3.85Å; F468-F474 HydrophobicContact CB-CZ 3.65Å; F468-F474 HydrophobicContact CD1-CE2 4.48Å; F468-F474 HydrophobicContact CD1-CZ 4.45Å; F468-F474 HydrophobicContact CG-CE2 4.22Å; F468-F474 HydrophobicContact CG-CZ 4.32Å; F468-I511 HydrophobicContact CD1-CG2 4.07Å; F468-I511 HydrophobicContact CE1-CB 4.23Å; F468-I511 HydrophobicContact CE1-CG2 4.08Å; F468-Y575 HydrophobicContact CE2-CE1 4.37Å; F468-Y575 AromaticContact CZ-CE1 3.91Å; F468-Y575 HydrophobicContact CZ-CE1 3.91Å | ||
| 469 | K | 87.5 | Confident | 87.7 | Confident | 59 Ų | 59 | 48 Ų | 48 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | trans | -117 | 149.8 | -179.5 | -69.9 | -55.5 | -164.4 | -177.3 | 0 | 112.5 | V454 D457 D459 G471 D472 | V454-K469 WeakPolarHBondContact CG2-O 3.27Å; D457-K469 HydrophobicContact CB-CD 4.32Å; D457-K469 VanDerWaalsContact CG-CD 3.42Å; D457-K469 WeakPolarHBondContact OD1-CA 3.39Å; D457-K469 WeakPolarHBondContact OD1-CD 3.33Å; D457-K469 VanDerWaalsContact OD2-CD 3.26Å; D457-K469 WeakPolarHBondContact OD2-CD 3.48Å; D457-K469 WeakPolarHBondContact OD2-CE 3.07Å; D457-K469 IonicContact OD2-NZ 3.42Å; D457-K469 PolarHBondContact OD2-NZ 3.12Å; D459-K469 VanDerWaalsContact CG-NZ 3.27Å; D459-K469 WeakPolarHBondContact OD1-CE 3.44Å; D459-K469 IonicContact OD1-NZ 3.82Å; D459-K469 PolarHBondContact OD1-NZ 3.21Å; D459-K469 IonicContact OD2-NZ 2.7Å; D459-K469 PolarHBondContact OD2-NZ 3.41Å; K469-G471 PolarHBondContact O-N 2.96Å; K469-D472 PolarHBondContact N-OD2 3.39Å; K469-D472 VanDerWaalsContact O-CB 3.26Å; K469-D472 WeakPolarHBondContact O-CB 3.5Å; K469-D472 PolarHBondContact O-N 3.22Å | ||
| 470 | K | 87.6 | Confident | 88 | Confident | 45 Ų | 45 | 43.4 Ų | 43.4 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 129.8 | 175.1 | -175.9 | 170.6 | -178.7 | -169.8 | 0 | 110.4 | F456 D457 E655 Y709 | F456-K470 PolarHBondContact O-N 2.89Å; D457-K470 PolarHBondContact OD1-N 3.08Å; K470-E655 IonicContact NZ-OE1 3.18Å; K470-E655 PolarHBondContact NZ-OE1 2.89Å; K470-Y709 HydrophobicContact CB-CD1 4.48Å; K470-Y709 HydrophobicContact CB-CG 4.5Å; K470-Y709 HydrophobicContact CD-CD1 4.36Å; K470-Y709 HydrophobicContact CD-CD2 4.28Å; K470-Y709 HydrophobicContact CD-CE1 3.92Å; K470-Y709 HydrophobicContact CD-CE2 3.83Å; K470-Y709 VanDerWaalsContact CE-CE2 3.46Å; K470-Y709 HydrophobicContact CG-CD1 4.35Å; K470-Y709 HydrophobicContact CG-CD2 4Å; K470-Y709 HydrophobicContact CG-CE1 4.39Å; K470-Y709 HydrophobicContact CG-CE2 4.05Å; K470-Y709 HydrophobicContact CG-CG 4.17Å; K470-Y709 PolarHBondContact NZ-OH 2.8Å; K470-Y709 WeakPolarHBondContact O-CB 3.13Å |
| 471 | G | 84.2 | Confident | 88.3 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | -11.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | V454 K469 P496 | V454-G471 PolarHBondContact O-N 2.68Å; K469-G471 PolarHBondContact O-N 2.96Å; G471-P496 WeakPolarHBondContact O-CD 3.21Å; G471-P496 WeakPolarHBondContact O-CG 3.49Å |
| 472 | D | 87.5 | Confident | 88.5 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | trans | -60.6 | 143.7 | 173.3 | -65.3 | -8.2 | 0 | 0 | 0 | 111.2 | R453 V454 K469 F474 L494 S495 P496 | R453-D472 WeakPolarHBondContact CA-O 3.48Å; V454-D472 HydrophobicContact CG2-CB 3.89Å; V454-D472 PolarHBondContact N-O 3.49Å; K469-D472 PolarHBondContact N-OD2 3.39Å; K469-D472 VanDerWaalsContact O-CB 3.26Å; K469-D472 WeakPolarHBondContact O-CB 3.5Å; K469-D472 PolarHBondContact O-N 3.22Å; D472-F474 HydrophobicContact CB-CD2 4.49Å; D472-F474 HydrophobicContact CB-CE2 3.65Å; D472-F474 HydrophobicContact CB-CZ 4.17Å; D472-L494 CarbonylContact C-O 3.53Å; D472-L494 VanDerWaalsContact CA-O 3.27Å; D472-L494 WeakPolarHBondContact CA-O 3.49Å; D472-S495 WeakPolarHBondContact OD1-CA 3.47Å; D472-S495 WeakPolarHBondContact OD1-CB 3.3Å; D472-S495 PolarHBondContact OD1-OG 2.84Å; D472-P496 VanDerWaalsContact OD1-CD 3.3Å; D472-P496 WeakPolarHBondContact OD1-CD 3.4Å | ||
| 473 | I | 87.3 | Confident | 88.7 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.8 | 178.3 | -46.3 | -62 | 0 | 0 | 0 | 109.3 | I452 R453 V493 L494 V578 W740 | I452-I473 CarbonylContact O-C 3.5Å; I452-I473 VanDerWaalsContact O-CA 3.23Å; I452-I473 WeakPolarHBondContact O-CA 3.32Å; I452-I473 WeakPolarHBondContact O-CG2 3.25Å; R453-I473 HydrophobicContact CB-CD1 3.65Å; R453-I473 HydrophobicContact CG-CD1 3.9Å; I473-V493 HydrophobicContact CG2-CB 4.4Å; I473-V493 HydrophobicContact CG2-CG1 4.37Å; I473-V493 WeakPolarHBondContact O-CB 3.36Å; I473-V493 PolarHBondContact O-N 2.87Å; I473-L494 HydrophobicContact CB-CB 4.05Å; I473-L494 HydrophobicContact CG1-CB 4.04Å; I473-L494 HydrophobicContact CG1-CD2 4.08Å; I473-L494 HydrophobicContact CG1-CG 4.43Å; I473-L494 PolarHBondContact N-O 2.9Å; I473-L494 PolarHBondContact O-N 3.19Å; I473-L494 VanDerWaalsContact O-N 3.09Å; I473-V578 HydrophobicContact CG2-CG2 4.29Å; I473-W740 HydrophobicContact CD1-CB 4.49Å; I473-W740 HydrophobicContact CD1-CG 4.34Å; I473-W740 HydrophobicContact CG1-CG 4.35Å; I473-W740 HydrophobicContact CG2-CD2 4.16Å; I473-W740 HydrophobicContact CG2-CE3 4.39Å; I473-W740 HydrophobicContact CG2-CH2 4.44Å; I473-W740 HydrophobicContact CG2-CZ2 4.21Å |
| 474 | F | 92.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 144.4 | 175.2 | -64.2 | -91.1 | 0 | 0 | 0 | 111.3 | F451 I452 V454 M466 F468 D472 I476 A490 L491 C492 | F451-F474 CarbonylContact C-O 3.52Å; F451-F474 VanDerWaalsContact CA-O 3.24Å; F451-F474 WeakPolarHBondContact CA-O 3.44Å; I452-F474 HydrophobicContact CD1-CB 4.4Å; I452-F474 HydrophobicContact CG1-CB 3.92Å; I452-F474 PolarHBondContact N-O 3.26Å; I452-F474 PolarHBondContact O-N 2.89Å; V454-F474 HydrophobicContact CG1-CD2 3.72Å; V454-F474 HydrophobicContact CG1-CE2 3.73Å; M466-F474 HydrophobicContact CE-CD1 4.06Å; M466-F474 HydrophobicContact CE-CE1 3.57Å; M466-F474 HydrophobicContact SD-CE1 4.16Å; F468-F474 HydrophobicContact CB-CE2 3.85Å; F468-F474 HydrophobicContact CB-CZ 3.65Å; F468-F474 HydrophobicContact CD1-CE2 4.48Å; F468-F474 HydrophobicContact CD1-CZ 4.45Å; F468-F474 HydrophobicContact CG-CE2 4.22Å; F468-F474 HydrophobicContact CG-CZ 4.32Å; D472-F474 HydrophobicContact CB-CD2 4.49Å; D472-F474 HydrophobicContact CB-CE2 3.65Å; D472-F474 HydrophobicContact CB-CZ 4.17Å; F474-I476 HydrophobicContact CB-CD1 4.25Å; F474-A490 HydrophobicContact CB-CB 4.19Å; F474-A490 HydrophobicContact CD1-CB 3.99Å; F474-A490 HydrophobicContact CG-CB 4.36Å; F474-L491 CarbonylContact C-O 3.59Å; F474-L491 VanDerWaalsContact CA-O 3.23Å; F474-L491 WeakPolarHBondContact CA-O 3.3Å; F474-C492 HydrophobicContact CD1-CB 4.09Å; F474-C492 HydrophobicContact CE1-CB 3.66Å; F474-C492 HydrophobicContact CZ-CB 4.48Å |
| 475 | Q | 94.3 | Very high | 89.3 | Confident | 44 Ų | 44 | 32.6 Ų | 32.6 | 21% | 0.206 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.6 | 160.1 | -172.9 | -178.9 | 2.8 | 0 | 0 | 108 | N449 F451 A490 L491 V493 | N449-Q475 PolarHBondContact OD1-NE2 3.08Å; F451-Q475 HydrophobicContact CD1-CB 3.77Å; F451-Q475 HydrophobicContact CD1-CG 4.15Å; F451-Q475 HydrophobicContact CE1-CB 3.6Å; F451-Q475 HydrophobicContact CE1-CG 3.76Å; F451-Q475 HydrophobicContact CE2-CG 4.44Å; F451-Q475 HydrophobicContact CZ-CB 4.28Å; F451-Q475 HydrophobicContact CZ-CG 3.9Å; Q475-A490 CarbonylContact O-C 3.45Å; Q475-A490 VanDerWaalsContact O-CA 3.32Å; Q475-A490 WeakPolarHBondContact O-CA 3.49Å; Q475-L491 HydrophobicContact CB-CB 4.29Å; Q475-L491 PolarHBondContact N-O 2.83Å; Q475-L491 PolarHBondContact O-N 2.71Å; Q475-V493 HydrophobicContact CB-CG2 3.73Å |
| 476 | I | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.9 | 176.3 | -53.5 | -53.3 | 0 | 0 | 0 | 108.5 | N449 F450 I452 F474 T479 W488 A490 I511 | N449-I476 WeakPolarHBondContact CA-O 3.16Å; F450-I476 HydrophobicContact CD1-CB 4.12Å; F450-I476 HydrophobicContact CD2-CB 4.48Å; F450-I476 HydrophobicContact CD2-CG1 4.33Å; F450-I476 HydrophobicContact CE1-CB 3.74Å; F450-I476 HydrophobicContact CE1-CG1 4.34Å; F450-I476 HydrophobicContact CE1-CG2 3.74Å; F450-I476 HydrophobicContact CE2-CB 4.13Å; F450-I476 HydrophobicContact CE2-CG1 3.83Å; F450-I476 HydrophobicContact CG-CB 4.49Å; F450-I476 HydrophobicContact CZ-CB 3.75Å; F450-I476 HydrophobicContact CZ-CG1 3.85Å; F450-I476 HydrophobicContact CZ-CG2 3.78Å; F450-I476 PolarHBondContact N-O 2.82Å; F450-I476 PolarHBondContact O-N 2.91Å; I452-I476 HydrophobicContact CD1-CD1 3.82Å; I452-I476 HydrophobicContact CD1-CG1 4.26Å; I452-I476 HydrophobicContact CG1-CD1 3.98Å; I452-I476 HydrophobicContact CG1-CG1 4.1Å; I452-I476 HydrophobicContact CG2-CG1 4.27Å; F474-I476 HydrophobicContact CB-CD1 4.25Å; I476-T479 HydrophobicContact CG2-CG2 3.84Å; I476-W488 HydrophobicContact CD1-CE3 4.02Å; I476-W488 HydrophobicContact CG1-CE3 3.99Å; I476-W488 HydrophobicContact CG1-CZ3 4.32Å; I476-W488 HydrophobicContact CG2-CB 4.26Å; I476-W488 HydrophobicContact CG2-CD2 4.29Å; I476-W488 HydrophobicContact CG2-CE3 4.03Å; I476-W488 HydrophobicContact CG2-CG 4.45Å; I476-A490 HydrophobicContact CD1-CB 3.74Å; I476-I511 HydrophobicContact CD1-CD1 3.78Å |
| 477 | T | 91.4 | Very high | 89.4 | Confident | 39 Ų | 39 | 32.9 Ų | 32.9 | 24% | 0.239 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -19.5 | -175.6 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | D448 Q489 | D448-T477 CarbonylContact O-C 3.3Å; D448-T477 VanDerWaalsContact O-CA 3.31Å; D448-T477 WeakPolarHBondContact O-CA 3.21Å; T477-Q489 PolarHBondContact N-O 3.18Å; T477-Q489 PolarHBondContact OG1-OE1 3.39Å |
| 478 | D | 92.1 | Very high | 89.7 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 10% | 0.096 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 118.8 | 172.5 | -173.2 | 5.3 | 0 | 0 | 0 | 109.5 | R413 L480 W488 Q489 | R413-D478 WeakPolarHBondContact CD-OD1 3.3Å; R413-D478 IonicContact CZ-OD1 2.77Å; R413-D478 IonicContact NE-OD1 3.86Å; R413-D478 IonicContact NH1-OD1 2.67Å; R413-D478 PolarHBondContact NH1-OD1 3.26Å; R413-D478 IonicContact NH1-OD2 3.57Å; R413-D478 PolarHBondContact NH1-OD2 3.18Å; D478-L480 VanDerWaalsContact C-N 3.31Å; D478-L480 PolarHBondContact OD1-N 3.31Å; D478-W488 CarbonylContact O-C 3.59Å; D478-W488 VanDerWaalsContact O-CA 3.32Å; D478-W488 WeakPolarHBondContact O-CA 3.44Å; D478-Q489 HydrophobicContact CB-CB 4.02Å; D478-Q489 PolarHBondContact O-N 2.82Å |
| 479 | T | 96.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.9 | 175.2 | 58.6 | 0 | 0 | 0 | 0 | 113.6 | T412 R413 E414 D448 F450 I476 W488 | T412-T479 HydrophobicContact CG2-CG2 4.06Å; R413-T479 PolarHBondContact N-OG1 2.85Å; E414-T479 WeakPolarHBondContact CB-O 3.45Å; E414-T479 WeakPolarHBondContact CB-OG1 3.4Å; E414-T479 PolarHBondContact N-OG1 3.12Å; D448-T479 HydrophobicContact CB-CG2 4.19Å; D448-T479 VanDerWaalsContact OD2-CB 3.3Å; D448-T479 WeakPolarHBondContact OD2-CB 3.35Å; D448-T479 WeakPolarHBondContact OD2-CG2 3.07Å; D448-T479 PolarHBondContact OD2-N 3.44Å; D448-T479 PolarHBondContact OD2-OG1 2.93Å; F450-T479 HydrophobicContact CE1-CG2 3.67Å; F450-T479 HydrophobicContact CZ-CG2 3.87Å; I476-T479 HydrophobicContact CG2-CG2 3.84Å; T479-W488 VanDerWaalsContact CA-CD1 3.45Å; T479-W488 HydrophobicContact CG2-CD2 4.12Å; T479-W488 HydrophobicContact CG2-CG 4.42Å; T479-W488 HydrophobicContact CG2-CZ2 4.12Å; T479-W488 PolarHBondContact O-NE1 2.97Å |
| 480 | L | 92.3 | Very high | 90.1 | Very high | 18 Ų | 18 | 30.1 Ų | 30.1 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 47.6 | -179.7 | -160.1 | 77.7 | 0 | 0 | 0 | 110.9 | R413 V417 D478 G482 G483 V485 | R413-L480 HydrophobicContact CB-CB 4.35Å; R413-L480 HydrophobicContact CG-CB 3.88Å; R413-L480 HydrophobicContact CG-CD2 4.18Å; V417-L480 HydrophobicContact CG2-CD2 4.04Å; D478-L480 VanDerWaalsContact C-N 3.31Å; D478-L480 PolarHBondContact OD1-N 3.31Å; L480-G482 PolarHBondContact O-N 3.4Å; L480-G483 WeakPolarHBondContact O-CA 3.34Å; L480-G483 PolarHBondContact O-N 2.9Å; L480-V485 HydrophobicContact CD1-CB 4.38Å; L480-V485 HydrophobicContact CD1-CG2 3.65Å |
| 481 | F | 88.6 | Confident | 90.1 | Very high | 74 Ų | 74 | 29.8 Ų | 29.8 | 33% | 0.325 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -57.9 | 133.5 | -174.2 | -179.1 | -104.3 | 0 | 0 | 0 | 111.5 | G483 T484 S487 Q489 V510 | F481-G483 PolarHBondContact O-N 2.87Å; F481-T484 PolarHBondContact O-OG1 3.3Å; F481-S487 WeakPolarHBondContact CB-O 3.44Å; F481-S487 PolarHBondContact N-O 2.86Å; F481-Q489 HydrophobicContact CB-CB 4.37Å; F481-Q489 HydrophobicContact CD2-CB 3.83Å; F481-Q489 HydrophobicContact CD2-CG 4.35Å; F481-Q489 HydrophobicContact CG-CB 4.29Å; F481-V510 HydrophobicContact CD1-CG1 4.03Å; F481-V510 HydrophobicContact CD1-CG2 3.69Å; F481-V510 HydrophobicContact CE1-CG1 4.48Å; F481-V510 HydrophobicContact CE1-CG2 3.4Å; F481-V510 VanDerWaalsContact CE1-CG2 3.4Å; F481-V510 HydrophobicContact CG-CG2 4.43Å; F481-V510 HydrophobicContact CZ-CG2 3.93Å |
| 482 | G | 83.6 | Confident | 90.2 | Very high | 69 Ų | 69 | 30.7 Ų | 30.7 | 71% | 0.711 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | 72.5 | 4.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L480 | L480-G482 PolarHBondContact O-N 3.4Š|
| 483 | G | 83 | Confident | 89.8 | Confident | 58 Ų | 58 | 31.3 Ų | 31.3 | 60% | 0.598 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | 81.6 | 11.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L480 F481 | L480-G483 WeakPolarHBondContact O-CA 3.34Å; L480-G483 PolarHBondContact O-N 2.9Å; F481-G483 PolarHBondContact O-N 2.87Å |
| 484 | T | 81.8 | Confident | 89.3 | Confident | 92 Ų | 92 | 32 Ų | 32 | 56% | 0.564 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -126.2 | 137.4 | -175 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | F481 G486 | F481-T484 PolarHBondContact O-OG1 3.3Å; T484-G486 PolarHBondContact O-N 2.68Å |
| 485 | V | 90.5 | Very high | 88.4 | Confident | 64 Ų | 64 | 32.7 Ų | 32.7 | 39% | 0.388 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 130.1 | 173.1 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | E414 V417 L418 L480 | E414-V485 HydrophobicContact CG-CG1 4.13Å; E414-V485 HydrophobicContact CG-CG2 4.31Å; E414-V485 WeakPolarHBondContact OE2-CG1 3.34Å; V417-V485 HydrophobicContact CG1-CG2 4.5Å; L418-V485 HydrophobicContact CD1-CG1 4.46Å; L418-V485 HydrophobicContact CD2-CG1 4.18Å; L418-V485 HydrophobicContact CD2-CG2 4.17Å; L418-V485 HydrophobicContact CG-CG2 4.41Å; L480-V485 HydrophobicContact CD1-CB 4.38Å; L480-V485 HydrophobicContact CD1-CG2 3.65Å |
| 486 | G | 89.3 | Confident | 86.9 | Confident | 19 Ų | 19 | 31 Ų | 31 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 137.7 | -22.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | E414 T484 N513 | E414-G486 PolarHBondContact OE2-N 3.05Å; T484-G486 PolarHBondContact O-N 2.68Å; G486-N513 WeakPolarHBondContact CA-ND2 2.95Å; G486-N513 PolarHBondContact N-ND2 3.27Å; G486-N513 PolarHBondContact O-N 3.04Å |
| 487 | S | 92.3 | Very high | 85.1 | Confident | 28 Ų | 28 | 33.5 Ų | 33.5 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 135.9 | -175.7 | -69.4 | 0 | 0 | 0 | 0 | 110.6 | E465 F481 I511 | E465-S487 PolarHBondContact OE1-OG 3.48Å; F481-S487 WeakPolarHBondContact CB-O 3.44Å; F481-S487 PolarHBondContact N-O 2.86Å; S487-I511 WeakPolarHBondContact CA-O 3.4Å |
| 488 | W | 95.9 | Very high | 83.2 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 139.2 | -178.9 | -69.3 | 0.4 | 0 | 0 | 0 | 110 | E414 F450 I476 D478 T479 V510 I511 N513 M514 Y575 | E414-W488 PolarHBondContact OE1-NE1 3.36Å; F450-W488 HydrophobicContact CE2-CH2 4.34Å; F450-W488 HydrophobicContact CE2-CZ3 4.01Å; F450-W488 HydrophobicContact CZ-CE3 4.35Å; F450-W488 AromaticContact CZ-CH2 3.95Å; F450-W488 HydrophobicContact CZ-CH2 3.95Å; F450-W488 AromaticContact CZ-CZ3 3.78Å; F450-W488 HydrophobicContact CZ-CZ3 3.78Å; I476-W488 HydrophobicContact CD1-CE3 4.02Å; I476-W488 HydrophobicContact CG1-CE3 3.99Å; I476-W488 HydrophobicContact CG1-CZ3 4.32Å; I476-W488 HydrophobicContact CG2-CB 4.26Å; I476-W488 HydrophobicContact CG2-CD2 4.29Å; I476-W488 HydrophobicContact CG2-CE3 4.03Å; I476-W488 HydrophobicContact CG2-CG 4.45Å; D478-W488 CarbonylContact O-C 3.59Å; D478-W488 VanDerWaalsContact O-CA 3.32Å; D478-W488 WeakPolarHBondContact O-CA 3.44Å; T479-W488 VanDerWaalsContact CA-CD1 3.45Å; T479-W488 HydrophobicContact CG2-CD2 4.12Å; T479-W488 HydrophobicContact CG2-CG 4.42Å; T479-W488 HydrophobicContact CG2-CZ2 4.12Å; T479-W488 PolarHBondContact O-NE1 2.97Å; W488-V510 CarbonylContact O-C 3.54Å; W488-V510 WeakPolarHBondContact O-CA 3.35Å; W488-I511 HydrophobicContact CB-CG1 4.12Å; W488-I511 PolarHBondContact N-O 2.88Å; W488-I511 PolarHBondContact O-N 2.85Å; W488-N513 HydrophobicContact CD2-CB 4.33Å; W488-N513 HydrophobicContact CG-CB 4.21Å; W488-N513 HydrophobicContact CZ2-CB 4.48Å; W488-N513 VanDerWaalsContact NE1-CB 3.27Å; W488-M514 HydrophobicContact CH2-CB 3.7Å; W488-M514 HydrophobicContact CH2-CE 4.32Å; W488-M514 HydrophobicContact CZ2-CB 3.82Å; W488-Y575 HydrophobicContact CE3-CD2 4.38Å; W488-Y575 HydrophobicContact CE3-CE2 4.34Å; W488-Y575 AromaticContact CZ3-CD2 3.97Å; W488-Y575 HydrophobicContact CZ3-CD2 3.97Å; W488-Y575 HydrophobicContact CZ3-CE2 4.38Å |
| 489 | Q | 92.7 | Very high | 80.8 | Confident | 39 Ų | 39 | 37.4 Ų | 37.4 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 128.4 | 168.1 | -169.1 | 173.5 | 75 | 0 | 0 | 109.4 | T477 D478 F481 G509 | T477-Q489 PolarHBondContact N-O 3.18Å; T477-Q489 PolarHBondContact OG1-OE1 3.39Å; D478-Q489 HydrophobicContact CB-CB 4.02Å; D478-Q489 PolarHBondContact O-N 2.82Å; F481-Q489 HydrophobicContact CB-CB 4.37Å; F481-Q489 HydrophobicContact CD2-CB 3.83Å; F481-Q489 HydrophobicContact CD2-CG 4.35Å; F481-Q489 HydrophobicContact CG-CB 4.29Å; Q489-G509 WeakPolarHBondContact CA-O 3.19Å |
| 490 | A | 93.3 | Very high | 77.8 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 140.5 | -172 | 0 | 0 | 0 | 0 | 0 | 111.6 | F474 Q475 I476 G509 I511 | F474-A490 HydrophobicContact CB-CB 4.19Å; F474-A490 HydrophobicContact CD1-CB 3.99Å; F474-A490 HydrophobicContact CG-CB 4.36Å; Q475-A490 CarbonylContact O-C 3.45Å; Q475-A490 VanDerWaalsContact O-CA 3.32Å; Q475-A490 WeakPolarHBondContact O-CA 3.49Å; I476-A490 HydrophobicContact CD1-CB 3.74Å; A490-G509 PolarHBondContact N-O 3.22Å; A490-G509 PolarHBondContact O-N 3.28Å; A490-I511 HydrophobicContact CB-CD1 3.73Å; A490-I511 HydrophobicContact CB-CG1 3.85Å; A490-I511 HydrophobicContact CB-CG2 4.15Å |
| 491 | L | 88.7 | Confident | 75 | Confident | 38 Ų | 38 | 49.8 Ų | 49.8 | 20% | 0.199 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122.8 | 171.1 | -172.8 | 71.7 | 0 | 0 | 0 | 108.7 | F474 Q475 V493 P506 K508 | F474-L491 CarbonylContact C-O 3.59Å; F474-L491 VanDerWaalsContact CA-O 3.23Å; F474-L491 WeakPolarHBondContact CA-O 3.3Å; Q475-L491 HydrophobicContact CB-CB 4.29Å; Q475-L491 PolarHBondContact N-O 2.83Å; Q475-L491 PolarHBondContact O-N 2.71Å; L491-V493 PolarHBondContact O-N 3.23Å; L491-V493 VanDerWaalsContact O-N 3.08Å; L491-P506 HydrophobicContact CD1-CB 3.88Å; L491-P506 HydrophobicContact CD1-CG 4.1Å; L491-P506 WeakPolarHBondContact CD1-O 3.34Å; L491-P506 HydrophobicContact CD2-CB 4.32Å; L491-P506 HydrophobicContact CD2-CG 4.4Å; L491-P506 HydrophobicContact CG-CB 4.02Å; L491-P506 HydrophobicContact CG-CG 4.49Å; L491-K508 HydrophobicContact CD1-CB 3.82Å; L491-K508 HydrophobicContact CD1-CG 4.44Å |
| 492 | C | 86.4 | Confident | 72.3 | Confident | 25 Ų | 25 | 54.7 Ų | 54.7 | 17% | 0.169 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 106 | 173.3 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | M466 F474 M507 | M466-C492 HydrophobicContact SD-CB 4.46Å; F474-C492 HydrophobicContact CD1-CB 4.09Å; F474-C492 HydrophobicContact CE1-CB 3.66Å; F474-C492 HydrophobicContact CZ-CB 4.48Å; C492-M507 HydrophobicContact CB-CB 4.05Å; C492-M507 PolarHBondContact N-O 2.91Å |
| 493 | V | 79 | Confident | 69.9 | Low | 20 Ų | 20 | 57.9 Ų | 57.9 | 12% | 0.121 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -34.2 | -178.7 | 168 | 0 | 0 | 0 | 0 | 110.6 | P242 F451 I473 Q475 L491 W740 | P242-V493 WeakPolarHBondContact CD-O 3.27Å; P242-V493 HydrophobicContact CG-CG1 3.87Å; P242-V493 WeakPolarHBondContact CG-O 3.3Å; F451-V493 HydrophobicContact CD1-CG1 4.46Å; F451-V493 HydrophobicContact CD1-CG2 4.08Å; F451-V493 HydrophobicContact CE1-CG1 4.4Å; F451-V493 HydrophobicContact CE1-CG2 3.9Å; I473-V493 HydrophobicContact CG2-CB 4.4Å; I473-V493 HydrophobicContact CG2-CG1 4.37Å; I473-V493 WeakPolarHBondContact O-CB 3.36Å; I473-V493 PolarHBondContact O-N 2.87Å; Q475-V493 HydrophobicContact CB-CG2 3.73Å; L491-V493 PolarHBondContact O-N 3.23Å; L491-V493 VanDerWaalsContact O-N 3.08Å; V493-W740 HydrophobicContact CG1-CH2 4.42Å; V493-W740 HydrophobicContact CG1-CZ2 3.86Å |
| 494 | L | 76.5 | Confident | 68 | Low | 16 Ų | 16 | 59.9 Ų | 59.9 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 129.3 | 176.7 | 170.3 | 60.6 | 0 | 0 | 0 | 110.3 | Q240 D472 I473 P496 | Q240-L494 HydrophobicContact CB-CD1 4.31Å; Q240-L494 HydrophobicContact CB-CD2 3.87Å; Q240-L494 HydrophobicContact CG-CD1 4.21Å; Q240-L494 HydrophobicContact CG-CD2 4.02Å; D472-L494 CarbonylContact C-O 3.53Å; D472-L494 VanDerWaalsContact CA-O 3.27Å; D472-L494 WeakPolarHBondContact CA-O 3.49Å; I473-L494 HydrophobicContact CB-CB 4.05Å; I473-L494 HydrophobicContact CG1-CB 4.04Å; I473-L494 HydrophobicContact CG1-CD2 4.08Å; I473-L494 HydrophobicContact CG1-CG 4.43Å; I473-L494 PolarHBondContact N-O 2.9Å; I473-L494 PolarHBondContact O-N 3.19Å; I473-L494 VanDerWaalsContact O-N 3.09Å; L494-P496 HydrophobicContact CG-CG 4.43Å |
| 495 | S | 72.6 | Confident | 66.1 | Low | 17 Ų | 17 | 60.1 Ų | 60.1 | 12% | 0.119 | 35% | 0.345 | C | S | . | . | trans | -107.6 | 120.8 | 153.6 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | D472 S497 S498 | D472-S495 WeakPolarHBondContact OD1-CA 3.47Å; D472-S495 WeakPolarHBondContact OD1-CB 3.3Å; D472-S495 PolarHBondContact OD1-OG 2.84Å; S495-S497 PolarHBondContact O-N 3.45Å; S495-S497 PolarHBondContact OG-N 3.08Å; S495-S497 VanDerWaalsContact OG-N 3.11Å; S495-S497 PolarHBondContact OG-OG 3.28Å; S495-S498 WeakPolarHBondContact CB-OG 3.49Å; S495-S498 PolarHBondContact OG-N 2.94Å | ||
| 496 | P | 64.6 | Low | 64.4 | Low | 8 Ų | 8 | 59.9 Ų | 59.9 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -64.3 | -13 | 166.8 | -23.7 | 36.5 | 0 | 0 | 0 | 113.9 | P238 G471 D472 L494 | P238-P496 WeakPolarHBondContact CG-O 3.31Å; G471-P496 WeakPolarHBondContact O-CD 3.21Å; G471-P496 WeakPolarHBondContact O-CG 3.49Å; D472-P496 VanDerWaalsContact OD1-CD 3.3Å; D472-P496 WeakPolarHBondContact OD1-CD 3.4Å; L494-P496 HydrophobicContact CG-CG 4.43Å |
| 497 | S | 56.5 | Low | 63.3 | Low | 54 Ų | 54 | 65 Ų | 65 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -98.3 | -26.6 | -172.3 | 78.7 | 0 | 0 | 0 | 0 | 114.3 | S495 S499 | S495-S497 PolarHBondContact O-N 3.45Å; S495-S497 PolarHBondContact OG-N 3.08Å; S495-S497 VanDerWaalsContact OG-N 3.11Å; S495-S497 PolarHBondContact OG-OG 3.28Å; S497-S499 PolarHBondContact O-N 3.2Å |
| 498 | S | 51.7 | Low | 62.7 | Low | 79 Ų | 79 | 68.7 Ų | 68.7 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | trans | -83.4 | 79.2 | -176.1 | 65.2 | 0 | 0 | 0 | 0 | 112.3 | S495 S500 | S495-S498 WeakPolarHBondContact CB-OG 3.49Å; S495-S498 PolarHBondContact OG-N 2.94Å; S498-S500 VanDerWaalsContact C-N 3.28Å; S498-S500 PolarHBondContact O-N 2.99Å | ||
| 499 | S | 41.7 | Very low | 62.3 | Low | 60 Ų | 60 | 69.2 Ų | 69.2 | 42% | 0.42 | 39% | 0.386 | S | S | . | . | trans | -77.7 | -4.9 | 176.7 | 61.6 | 0 | 0 | 0 | 0 | 114.8 | S497 | S497-S499 PolarHBondContact O-N 3.2Š| ||
| 500 | S | 33.8 | Very low | 62.3 | Low | 81 Ų | 81 | 68.6 Ų | 68.6 | 57% | 0.566 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -140.3 | 129.7 | -167.9 | 75.5 | 0 | 0 | 0 | 0 | 116.1 | S498 | S498-S500 VanDerWaalsContact C-N 3.28Å; S498-S500 PolarHBondContact O-N 2.99Å |
| 501 | K | 33.2 | Very low | 62.4 | Low | 196 Ų | 196 | 68.6 Ų | 68.6 | 85% | 0.852 | 38% | 0.384 | S | S | * | . | trans | 73.9 | 110.3 | 151.8 | -61.3 | 170.8 | -177.2 | 175.6 | 0 | 119.5 | ||||
| 502 | M | 30.7 | Very low | 62.7 | Low | 177 Ų | 177 | 66.8 Ų | 66.8 | 87% | 0.872 | 38% | 0.375 | S | S | * | . | S | Bend | 73 | 52.6 | 122.4 | -161.1 | 169.8 | 168.6 | 0 | 0 | 118.1 | |||
| 503 | D | 34.4 | Very low | 63.1 | Low | 137 Ų | 137 | 66 Ų | 66 | 73% | 0.733 | 37% | 0.369 | S | S | * | . | -166.1 | 134.2 | 118.5 | -99.7 | -28.4 | 0 | 0 | 0 | 109.5 | T505 | D503-T505 PolarHBondContact O-N 2.82Š| |||
| 504 | N | 42.4 | Very low | 63.9 | Low | 99 Ų | 99 | 67.5 Ų | 67.5 | 53% | 0.529 | 38% | 0.375 | S | S | . | . | trans | -88.6 | 23.7 | -176.8 | -77 | -4.9 | 0 | 0 | 0 | 113 | ||||
| 505 | T | 41.3 | Very low | 64.7 | Low | 98 Ų | 98 | 69.4 Ų | 69.4 | 60% | 0.601 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -92.7 | 121.4 | 173 | 49.2 | 0 | 0 | 0 | 0 | 109.1 | D503 M507 | D503-T505 PolarHBondContact O-N 2.82Å; T505-M507 PolarHBondContact O-N 2.84Å |
| 506 | P | 55.9 | Low | 65.8 | Low | 59 Ų | 59 | 70.4 Ų | 70.4 | 38% | 0.383 | 40% | 0.395 | S | S | . | . | trans | -61.8 | 123.7 | 176.5 | 24.8 | -32.8 | 0 | 0 | 0 | 109.1 | L491 K508 | L491-P506 HydrophobicContact CD1-CB 3.88Å; L491-P506 HydrophobicContact CD1-CG 4.1Å; L491-P506 WeakPolarHBondContact CD1-O 3.34Å; L491-P506 HydrophobicContact CD2-CB 4.32Å; L491-P506 HydrophobicContact CD2-CG 4.4Å; L491-P506 HydrophobicContact CG-CB 4.02Å; L491-P506 HydrophobicContact CG-CG 4.49Å; P506-K508 PolarHBondContact O-N 3.34Å | ||
| 507 | M | 64.9 | Low | 67.3 | Low | 126 Ų | 126 | 70 Ų | 70 | 62% | 0.621 | 39% | 0.392 | S | S | * | . | trans | -71.2 | 104.3 | -166.5 | -61.3 | -174 | 77.5 | 0 | 0 | 111.1 | M466 C492 T505 | M466-M507 HydrophobicContact SD-CB 3.9Å; C492-M507 HydrophobicContact CB-CB 4.05Å; C492-M507 PolarHBondContact N-O 2.91Å; T505-M507 PolarHBondContact O-N 2.84Å | ||
| 508 | K | 81.6 | Confident | 69.1 | Low | 105 Ų | 105 | 69.7 Ų | 69.7 | 46% | 0.457 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.4 | 171.5 | -167.9 | 176.3 | -178 | 176.3 | 0 | 108.6 | D14 L491 P506 | D14-K508 IonicContact OD1-NZ 2.7Å; D14-K508 PolarHBondContact OD1-NZ 3.29Å; L491-K508 HydrophobicContact CD1-CB 3.82Å; L491-K508 HydrophobicContact CD1-CG 4.44Å; P506-K508 PolarHBondContact O-N 3.34Å |
| 509 | G | 86.9 | Confident | 71.1 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 21% | 0.206 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | -165 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q489 A490 | Q489-G509 WeakPolarHBondContact CA-O 3.19Å; A490-G509 PolarHBondContact N-O 3.22Å; A490-G509 PolarHBondContact O-N 3.28Å |
| 510 | V | 92.4 | Very high | 73.5 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 16% | 0.158 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 137.5 | -180 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | E465 M466 F481 W488 | E465-V510 CarbonylContact C-O 3.6Å; E465-V510 VanDerWaalsContact CA-O 3.27Å; E465-V510 WeakPolarHBondContact CA-O 3.35Å; E465-V510 WeakPolarHBondContact CB-O 3.44Å; E465-V510 HydrophobicContact CG-CB 4.38Å; E465-V510 HydrophobicContact CG-CG1 4.17Å; M466-V510 PolarHBondContact N-O 3.43Å; F481-V510 HydrophobicContact CD1-CG1 4.03Å; F481-V510 HydrophobicContact CD1-CG2 3.69Å; F481-V510 HydrophobicContact CE1-CG1 4.48Å; F481-V510 HydrophobicContact CE1-CG2 3.4Å; F481-V510 VanDerWaalsContact CE1-CG2 3.4Å; F481-V510 HydrophobicContact CG-CG2 4.43Å; F481-V510 HydrophobicContact CZ-CG2 3.93Å; W488-V510 CarbonylContact O-C 3.54Å; W488-V510 WeakPolarHBondContact O-CA 3.35Å |
| 511 | I | 94.6 | Very high | 76.3 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 158.4 | 171.9 | 64.9 | 176.4 | 0 | 0 | 0 | 110.4 | I452 M466 F468 I476 S487 W488 A490 Y575 | I452-I511 HydrophobicContact CD1-CD1 3.89Å; M466-I511 HydrophobicContact CB-CG2 4.39Å; M466-I511 HydrophobicContact CE-CG2 4.32Å; F468-I511 HydrophobicContact CD1-CG2 4.07Å; F468-I511 HydrophobicContact CE1-CB 4.23Å; F468-I511 HydrophobicContact CE1-CG2 4.08Å; I476-I511 HydrophobicContact CD1-CD1 3.78Å; S487-I511 WeakPolarHBondContact CA-O 3.4Å; W488-I511 HydrophobicContact CB-CG1 4.12Å; W488-I511 PolarHBondContact N-O 2.88Å; W488-I511 PolarHBondContact O-N 2.85Å; A490-I511 HydrophobicContact CB-CD1 3.73Å; A490-I511 HydrophobicContact CB-CG1 3.85Å; A490-I511 HydrophobicContact CB-CG2 4.15Å; I511-Y575 HydrophobicContact CD1-CE2 4.18Å |
| 512 | P | 95.7 | Very high | 78.9 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 146.1 | 173.3 | -21.9 | 32 | 0 | 0 | 0 | 112 | Y458 R516 L520 Y575 | Y458-P512 HydrophobicContact CD1-CG 4.42Å; Y458-P512 HydrophobicContact CE1-CG 3.77Å; P512-R516 HydrophobicContact CB-CB 3.91Å; P512-R516 HydrophobicContact CB-CG 3.89Å; P512-L520 HydrophobicContact CB-CD1 4.11Å; P512-L520 HydrophobicContact CG-CD1 3.79Å; P512-Y575 VanDerWaalsContact O-CE2 3.25Å; P512-Y575 WeakPolarHBondContact O-CE2 3.28Å; P512-Y575 PolarHBondContact O-OH 2.74Å |
| 513 | N | 95.5 | Very high | 81.6 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | trans | -66 | 166.7 | 174.2 | 78.2 | -8.2 | 0 | 0 | 0 | 112.9 | E414 G486 W488 A515 R516 A517 | E414-N513 PolarHBondContact OE1-ND2 3.45Å; E414-N513 WeakPolarHBondContact OE2-CB 3.44Å; E414-N513 PolarHBondContact OE2-ND2 3.03Å; G486-N513 WeakPolarHBondContact CA-ND2 2.95Å; G486-N513 PolarHBondContact N-ND2 3.27Å; G486-N513 PolarHBondContact O-N 3.04Å; W488-N513 HydrophobicContact CD2-CB 4.33Å; W488-N513 HydrophobicContact CG-CB 4.21Å; W488-N513 HydrophobicContact CZ2-CB 4.48Å; W488-N513 VanDerWaalsContact NE1-CB 3.27Å; N513-A515 PolarHBondContact O-N 2.94Å; N513-A515 PolarHBondContact OD1-N 3Å; N513-R516 PolarHBondContact O-N 2.74Å; N513-R516 PolarHBondContact OD1-N 3.46Å; N513-A517 WeakPolarHBondContact O-CB 3.26Å; N513-A517 PolarHBondContact O-N 2.89Å | ||
| 514 | M | 95.3 | Very high | 84 | Confident | 52 Ų | 52 | 54 Ų | 54 | 26% | 0.256 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -47.1 | -40.5 | 177.1 | -177.7 | 67.3 | 77.7 | 0 | 0 | 113.6 | W488 N518 Y575 | W488-M514 HydrophobicContact CH2-CB 3.7Å; W488-M514 HydrophobicContact CH2-CE 4.32Å; W488-M514 HydrophobicContact CZ2-CB 3.82Å; M514-N518 WeakPolarHBondContact O-CB 3.38Å; M514-N518 PolarHBondContact O-N 2.7Å; M514-N518 PolarHBondContact O-ND2 3.39Å; M514-N518 PolarHBondContact SD-ND2 2.86Å; M514-Y575 HydrophobicContact CE-CD2 4.47Å; M514-Y575 HydrophobicContact SD-CD2 4.37Å |
| 515 | A | 94.2 | Very high | 85.9 | Confident | 57 Ų | 57 | 51.3 Ų | 51.3 | 47% | 0.471 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -73.9 | -28.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N513 R519 | N513-A515 PolarHBondContact O-N 2.94Å; N513-A515 PolarHBondContact OD1-N 3Å; A515-R519 PolarHBondContact O-NE 3.18Å |
| 516 | R | 94.7 | Very high | 87.8 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 14% | 0.143 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -85 | -39.1 | 171.5 | -173.6 | 160 | 155.2 | -110.9 | -9.4 | 111.3 | Y458 E462 E465 P512 N513 N518 R519 L520 | Y458-R516 PolarHBondContact OH-NH2 2.78Å; E462-R516 IonicContact OE2-CZ 2.83Å; E462-R516 IonicContact OE2-NE 3.96Å; E462-R516 IonicContact OE2-NH2 2.67Å; E462-R516 PolarHBondContact OE2-NH2 3.39Å; E465-R516 IonicContact OE1-CZ 3.78Å; E465-R516 IonicContact OE1-NH1 3.96Å; E465-R516 PolarHBondContact OE1-NH1 2.98Å; E465-R516 IonicContact OE1-NH2 2.69Å; E465-R516 IonicContact OE2-CZ 2.68Å; E465-R516 VanDerWaalsContact OE2-CZ 3.28Å; E465-R516 IonicContact OE2-NH1 2.71Å; E465-R516 PolarHBondContact OE2-NH1 3.48Å; E465-R516 IonicContact OE2-NH2 2.99Å; E465-R516 PolarHBondContact OE2-NH2 2.89Å; P512-R516 HydrophobicContact CB-CB 3.91Å; P512-R516 HydrophobicContact CB-CG 3.89Å; N513-R516 PolarHBondContact O-N 2.74Å; N513-R516 PolarHBondContact OD1-N 3.46Å; R516-N518 PolarHBondContact O-N 2.78Å; R516-R519 WeakPolarHBondContact O-CB 3.41Å; R516-R519 PolarHBondContact O-N 3.04Å; R516-R519 VanDerWaalsContact O-N 3.11Å; R516-L520 HydrophobicContact CG-CD1 4.11Å; R516-L520 HydrophobicContact CG-CG 4.44Å; R516-L520 WeakPolarHBondContact O-CG 3.35Å; R516-L520 PolarHBondContact O-N 3.19Å |
| 517 | A | 95.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.6 | -46.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F456 N513 R519 L520 A521 A574 Y575 | F456-A517 HydrophobicContact CE1-CB 4.13Å; F456-A517 HydrophobicContact CZ-CB 4.16Å; N513-A517 WeakPolarHBondContact O-CB 3.26Å; N513-A517 PolarHBondContact O-N 2.89Å; A517-R519 VanDerWaalsContact C-N 3.3Å; A517-R519 PolarHBondContact O-N 3.29Å; A517-L520 PolarHBondContact O-N 3.33Å; A517-A521 WeakPolarHBondContact O-CB 3.12Å; A517-A521 PolarHBondContact O-N 3Å; A517-A574 VanDerWaalsContact C-CB 3.48Å; A517-A574 HydrophobicContact CB-CB 4.01Å; A517-A574 WeakPolarHBondContact O-CB 3.14Å; A517-Y575 HydrophobicContact CB-CD1 4.32Å; A517-Y575 HydrophobicContact CB-CD2 3.91Å; A517-Y575 HydrophobicContact CB-CE1 3.86Å; A517-Y575 HydrophobicContact CB-CE2 3.41Å; A517-Y575 VanDerWaalsContact CB-CE2 3.41Å; A517-Y575 HydrophobicContact CB-CG 4.34Å |
| 518 | N | 94 | Very high | 88.9 | Confident | 47 Ų | 47 | 51.9 Ų | 51.9 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.8 | -32.6 | 175.8 | -76.2 | -61.2 | 0 | 0 | 0 | 113.2 | M514 R516 N522 A574 | M514-N518 WeakPolarHBondContact O-CB 3.38Å; M514-N518 PolarHBondContact O-N 2.7Å; M514-N518 PolarHBondContact O-ND2 3.39Å; M514-N518 PolarHBondContact SD-ND2 2.86Å; R516-N518 PolarHBondContact O-N 2.78Å; N518-N522 WeakPolarHBondContact O-CB 3.26Å; N518-N522 PolarHBondContact O-N 3.33Å; N518-N522 VanDerWaalsContact O-N 3.14Å; N518-N522 PolarHBondContact O-ND2 3.01Å; N518-A574 HydrophobicContact CB-CB 4.34Å; N518-A574 VanDerWaalsContact OD1-CB 3.27Å; N518-A574 WeakPolarHBondContact OD1-CB 3.24Å; N518-A574 PolarHBondContact OD1-N 2.93Å |
| 519 | R | 93.5 | Very high | 87.9 | Confident | 161 Ų | 161 | 53 Ų | 53 | 61% | 0.608 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.4 | -41.8 | 172.7 | -72.8 | 179.1 | -72.7 | 158 | -0.6 | 111.7 | A515 R516 A517 V523 | A515-R519 PolarHBondContact O-NE 3.18Å; R516-R519 WeakPolarHBondContact O-CB 3.41Å; R516-R519 PolarHBondContact O-N 3.04Å; R516-R519 VanDerWaalsContact O-N 3.11Å; A517-R519 VanDerWaalsContact C-N 3.3Å; A517-R519 PolarHBondContact O-N 3.29Å; R519-V523 WeakPolarHBondContact O-CG2 3.25Å; R519-V523 PolarHBondContact O-N 2.82Å; R519-V523 VanDerWaalsContact O-N 3.14Å |
| 520 | L | 93 | Very high | 86.1 | Confident | 43 Ų | 43 | 54.9 Ų | 54.9 | 23% | 0.225 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -48.6 | 176.6 | -69.3 | 167 | 0 | 0 | 0 | 111.6 | F456 Y458 P512 R516 A517 N522 V523 D524 | F456-L520 HydrophobicContact CD2-CB 4.48Å; F456-L520 HydrophobicContact CE2-CB 3.66Å; F456-L520 HydrophobicContact CZ-CB 4.08Å; Y458-L520 HydrophobicContact CD2-CD1 4.1Å; Y458-L520 HydrophobicContact CE2-CD1 3.7Å; Y458-L520 HydrophobicContact CE2-CD2 4.13Å; P512-L520 HydrophobicContact CB-CD1 4.11Å; P512-L520 HydrophobicContact CG-CD1 3.79Å; R516-L520 HydrophobicContact CG-CD1 4.11Å; R516-L520 HydrophobicContact CG-CG 4.44Å; R516-L520 WeakPolarHBondContact O-CG 3.35Å; R516-L520 PolarHBondContact O-N 3.19Å; A517-L520 PolarHBondContact O-N 3.33Å; L520-N522 VanDerWaalsContact C-N 3.31Å; L520-N522 PolarHBondContact O-N 2.85Å; L520-V523 WeakPolarHBondContact O-CB 3.13Å; L520-V523 PolarHBondContact O-N 2.82Å; L520-V523 VanDerWaalsContact O-N 3.11Å; L520-D524 PolarHBondContact O-N 3.49Å |
| 521 | A | 91.7 | Very high | 84 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F456 A517 D524 R525 A574 | F456-A521 HydrophobicContact CB-CB 3.89Å; F456-A521 HydrophobicContact CD1-CB 3.7Å; F456-A521 HydrophobicContact CD2-CB 4.18Å; F456-A521 HydrophobicContact CE1-CB 4.25Å; F456-A521 HydrophobicContact CG-CB 3.65Å; A517-A521 WeakPolarHBondContact O-CB 3.12Å; A517-A521 PolarHBondContact O-N 3Å; A521-D524 PolarHBondContact O-N 3.32Å; A521-R525 WeakPolarHBondContact O-CB 3.12Å; A521-R525 VanDerWaalsContact O-CG 3.25Å; A521-R525 WeakPolarHBondContact O-CG 3.5Å; A521-R525 PolarHBondContact O-N 2.84Å; A521-A574 HydrophobicContact CB-CB 3.63Å |
| 522 | N | 88.7 | Confident | 81.1 | Confident | 94 Ų | 94 | 68.1 Ų | 68.1 | 50% | 0.503 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.4 | -35.1 | 175.6 | -73.3 | -14.2 | 0 | 0 | 0 | 112.5 | N518 L520 A526 | N518-N522 WeakPolarHBondContact O-CB 3.26Å; N518-N522 PolarHBondContact O-N 3.33Å; N518-N522 VanDerWaalsContact O-N 3.14Å; N518-N522 PolarHBondContact O-ND2 3.01Å; L520-N522 VanDerWaalsContact C-N 3.31Å; L520-N522 PolarHBondContact O-N 2.85Å; N522-A526 WeakPolarHBondContact O-CB 3.04Å; N522-A526 PolarHBondContact O-N 2.83Å; N522-A526 VanDerWaalsContact O-N 3.12Å |
| 523 | V | 88.2 | Confident | 78.1 | Confident | 71 Ų | 71 | 72.8 Ų | 72.8 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 171.6 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | R519 L520 A526 R527 | R519-V523 WeakPolarHBondContact O-CG2 3.25Å; R519-V523 PolarHBondContact O-N 2.82Å; R519-V523 VanDerWaalsContact O-N 3.14Å; L520-V523 WeakPolarHBondContact O-CB 3.13Å; L520-V523 PolarHBondContact O-N 2.82Å; L520-V523 VanDerWaalsContact O-N 3.11Å; V523-A526 PolarHBondContact O-N 3.49Å; V523-R527 WeakPolarHBondContact O-CG 3.36Å; V523-R527 PolarHBondContact O-N 2.89Å; V523-R527 VanDerWaalsContact O-N 3.1Å |
| 524 | D | 85 | Confident | 75 | Confident | 31 Ų | 31 | 78.2 Ų | 78.2 | 17% | 0.166 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.1 | -52 | 178.6 | -156.6 | 41.3 | 0 | 0 | 0 | 111.1 | L520 A521 A526 R527 E528 | L520-D524 PolarHBondContact O-N 3.49Å; A521-D524 PolarHBondContact O-N 3.32Å; D524-A526 PolarHBondContact O-N 3.16Å; D524-R527 WeakPolarHBondContact O-CA 3.48Å; D524-R527 WeakPolarHBondContact O-CB 3.23Å; D524-R527 PolarHBondContact O-N 3.41Å; D524-E528 WeakPolarHBondContact O-CG 3.24Å; D524-E528 PolarHBondContact O-N 2.92Å |
| 525 | R | 81.4 | Confident | 71.9 | Confident | 42 Ų | 42 | 84 Ų | 84 | 16% | 0.158 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -51.6 | -42.2 | 172.1 | -71.7 | 166.6 | -173.7 | 166 | 1.5 | 112.4 | A521 R527 E528 H529 F572 | A521-R525 WeakPolarHBondContact O-CB 3.12Å; A521-R525 VanDerWaalsContact O-CG 3.25Å; A521-R525 WeakPolarHBondContact O-CG 3.5Å; A521-R525 PolarHBondContact O-N 2.84Å; R525-R527 PolarHBondContact O-N 2.91Å; R525-E528 PolarHBondContact O-N 2.86Å; R525-H529 PolarHBondContact O-N 2.88Å; R525-H529 PolarHBondContact O-ND1 3.39Å; R525-F572 PolarHBondContact NH1-O 3.47Å; R525-F572 PolarHBondContact NH2-O 2.99Å |
| 526 | A | 80.3 | Confident | 69.1 | Low | 64 Ų | 64 | 85.9 Ų | 85.9 | 53% | 0.529 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.1 | -36.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | N522 V523 D524 G530 | N522-A526 WeakPolarHBondContact O-CB 3.04Å; N522-A526 PolarHBondContact O-N 2.83Å; N522-A526 VanDerWaalsContact O-N 3.12Å; V523-A526 PolarHBondContact O-N 3.49Å; D524-A526 PolarHBondContact O-N 3.16Å; A526-G530 PolarHBondContact O-N 2.83Å; A526-G530 VanDerWaalsContact O-N 3.12Å |
| 527 | R | 76.1 | Confident | 66 | Low | 157 Ų | 157 | 93.7 Ų | 93.7 | 59% | 0.592 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.7 | -38.7 | 172.8 | -68.3 | 163.9 | 176.9 | 165.1 | 1.7 | 111.9 | V523 D524 R525 G530 R531 | V523-R527 WeakPolarHBondContact O-CG 3.36Å; V523-R527 PolarHBondContact O-N 2.89Å; V523-R527 VanDerWaalsContact O-N 3.1Å; D524-R527 WeakPolarHBondContact O-CA 3.48Å; D524-R527 WeakPolarHBondContact O-CB 3.23Å; D524-R527 PolarHBondContact O-N 3.41Å; R525-R527 PolarHBondContact O-N 2.91Å; R527-G530 PolarHBondContact O-N 2.93Å; R527-R531 PolarHBondContact O-N 2.92Å |
| 528 | E | 67.9 | Low | 63.1 | Low | 75 Ų | 75 | 98.9 Ų | 98.9 | 35% | 0.35 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 178.4 | -67.3 | -160.7 | 107.8 | 0 | 0 | 112.8 | D524 R525 G530 R531 H567 | D524-E528 WeakPolarHBondContact O-CG 3.24Å; D524-E528 PolarHBondContact O-N 2.92Å; R525-E528 PolarHBondContact O-N 2.86Å; E528-G530 VanDerWaalsContact C-N 3.3Å; E528-R531 PolarHBondContact O-N 2.84Å; E528-H567 PolarHBondContact O-NE2 3.12Å; E528-H567 IonicContact OE1-CE1 2.71Å |
| 529 | H | 61.1 | Low | 60.2 | Low | 128 Ų | 128 | 101.8 Ų | 101.8 | 59% | 0.593 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.1 | -29.2 | 172.8 | -73.6 | 72.3 | 0 | 0 | 0 | 112.2 | R525 R531 H567 | R525-H529 PolarHBondContact O-N 2.88Å; R525-H529 PolarHBondContact O-ND1 3.39Å; H529-R531 PolarHBondContact O-N 2.85Å; H529-H567 AromaticContact CE1-CD2 3.63Å; H529-H567 AromaticContact CE1-CG 3.94Å; H529-H567 AromaticContact ND1-CD2 3.72Å; H529-H567 AromaticContact NE2-CD2 3.93Å |
| 530 | G | 49.5 | Very low | 57.6 | Low | 60 Ų | 60 | 100.8 Ų | 100.8 | 62% | 0.619 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -6.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A526 R527 E528 S532 | A526-G530 PolarHBondContact O-N 2.83Å; A526-G530 VanDerWaalsContact O-N 3.12Å; R527-G530 PolarHBondContact O-N 2.93Å; E528-G530 VanDerWaalsContact C-N 3.3Å; G530-S532 PolarHBondContact O-N 2.77Å |
| 531 | R | 47.6 | Very low | 54.9 | Low | 203 Ų | 203 | 107 Ų | 107 | 77% | 0.766 | 59% | 0.59 | S | S | * | * | trans | -94 | 42.8 | -179.3 | -82.4 | 177.5 | 165.3 | 169.3 | -2.3 | 113.4 | R527 E528 H529 | R527-R531 PolarHBondContact O-N 2.92Å; E528-R531 PolarHBondContact O-N 2.84Å; H529-R531 PolarHBondContact O-N 2.85Å | ||
| 532 | S | 33.5 | Very low | 52.7 | Low | 100 Ų | 100 | 115.2 Ų | 115.2 | 70% | 0.699 | 63% | 0.633 | S | S | * | * | trans | -62.5 | 134.9 | 164.2 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | G530 | G530-S532 PolarHBondContact O-N 2.77Š| ||
| 533 | P | 32.7 | Very low | 50.7 | Low | 98 Ų | 98 | 122.4 Ų | 122.4 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -73 | 152.4 | 177.5 | 29.8 | -34.1 | 0 | 0 | 0 | 111.1 | ||
| 534 | T | 31.8 | Very low | 48.5 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 75% | 0.748 | 68% | 0.675 | S | S | * | * | trans | 80.4 | 87.1 | 173.7 | 69.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 535 | E | 29 | Very low | 46.5 | Very low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -123.5 | 81 | 130.9 | -107.3 | -59.6 | 128 | 0 | 0 | 108.7 | K537 | E535-K537 PolarHBondContact O-N 3.45Å; E535-K537 VanDerWaalsContact O-N 3.11Å | ||
| 536 | P | 35.9 | Very low | 44.6 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | -76.6 | 98.3 | 179.4 | 31.3 | -32.4 | 0 | 0 | 0 | 109.5 | S538 | P536-S538 VanDerWaalsContact C-N 3.28Å; P536-S538 PolarHBondContact O-N 2.81Å | ||
| 537 | K | 29.5 | Very low | 42.7 | Very low | 202 Ų | 202 | 148.2 Ų | 148.2 | 88% | 0.878 | 76% | 0.759 | S | S | * | * | trans | -64.1 | 81.8 | 173.6 | -69.4 | -175.2 | 177.3 | -178.2 | 0 | 112.1 | E535 | E535-K537 PolarHBondContact O-N 3.45Å; E535-K537 VanDerWaalsContact O-N 3.11Å | ||
| 538 | S | 35.3 | Very low | 40.7 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -153.3 | 147.2 | 159.5 | -165.3 | 0 | 0 | 0 | 0 | 111.2 | P536 | P536-S538 VanDerWaalsContact C-N 3.28Å; P536-S538 PolarHBondContact O-N 2.81Å | ||
| 539 | S | 33.3 | Very low | 39 | Very low | 107 Ų | 107 | 149.2 Ų | 149.2 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -79.5 | 124.6 | -168.3 | 44.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 540 | T | 39.1 | Very low | 37.9 | Very low | 141 Ų | 141 | 155 Ų | 155 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -165.8 | 69.9 | 149.9 | 8.3 | 0 | 0 | 0 | 0 | 111 | L542 | T540-L542 PolarHBondContact O-N 3.47Å; T540-L542 VanDerWaalsContact O-N 3.14Å | ||
| 541 | L | 35.7 | Very low | 37.1 | Very low | 174 Ų | 174 | 164.3 Ų | 164.3 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 106.2 | 172 | -69.4 | 169.7 | 0 | 0 | 0 | 110 | ||
| 542 | L | 45.1 | Very low | 36.6 | Very low | 172 Ų | 172 | 159.4 Ų | 159.4 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.7 | -34.2 | 155.2 | -107.9 | 159.5 | 0 | 0 | 0 | 114.6 | T540 K544 | T540-L542 PolarHBondContact O-N 3.47Å; T540-L542 VanDerWaalsContact O-N 3.14Å; L542-K544 PolarHBondContact O-N 2.79Å |
| 543 | R | 46.6 | Very low | 37 | Very low | 244 Ų | 244 | 165.2 Ų | 165.2 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | G | 310 helix | trans | -87.6 | -2.6 | -162.5 | -133.3 | 173.6 | -171 | 168.2 | 2.7 | 117.4 | ||
| 544 | K | 42.8 | Very low | 37.5 | Very low | 203 Ų | 203 | 164.3 Ų | 164.3 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | G | 310 helix | trans | -90.2 | 0.5 | -166 | -138.5 | 175.3 | -175 | -179.8 | 0 | 116.1 | L542 | L542-K544 PolarHBondContact O-N 2.79Š|
| 545 | K | 42.4 | Very low | 38.2 | Very low | 205 Ų | 205 | 162.6 Ų | 162.6 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | G | 310 helix | trans | -90.3 | -7.5 | -173 | -98.6 | -174.5 | 175 | -177.8 | 0 | 116.9 | ||
| 546 | M | 40.8 | Very low | 39 | Very low | 182 Ų | 182 | 158.9 Ų | 158.9 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -98.2 | -3.2 | -170.3 | -77.3 | -68.1 | -171.9 | 0 | 0 | 116.5 | ||
| 547 | L | 40.3 | Very low | 39.5 | Very low | 161 Ų | 161 | 162.2 Ų | 162.2 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -104.9 | -5.8 | -171 | -80 | 159.3 | 0 | 0 | 0 | 115.5 | G549 | L547-G549 VanDerWaalsContact C-N 3.26Å; L547-G549 PolarHBondContact O-N 3.09Å |
| 548 | M | 34.9 | Very low | 40.5 | Very low | 194 Ų | 194 | 155.2 Ų | 155.2 | 96% | 0.956 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -83.9 | 64.3 | 176 | -67.1 | -62.3 | -176.2 | 0 | 0 | 110.9 | ||
| 549 | G | 32.2 | Very low | 41.6 | Very low | 58 Ų | 58 | 154.1 Ų | 154.1 | 60% | 0.598 | 77% | 0.769 | S | S | * | * | trans | -155.5 | 12.7 | -160.2 | 0 | 0 | 0 | 0 | 0 | 120 | L547 | L547-G549 VanDerWaalsContact C-N 3.26Å; L547-G549 PolarHBondContact O-N 3.09Å | ||
| 550 | R | 38.8 | Very low | 43 | Very low | 250 Ų | 250 | 152.6 Ų | 152.6 | 94% | 0.943 | 75% | 0.747 | S | S | * | * | trans | -161.8 | 139.2 | 164.6 | -103.9 | 137.9 | -158 | -121.8 | 4.2 | 113.1 | ||||
| 551 | R | 31.5 | Very low | 44.1 | Very low | 256 Ų | 256 | 148.4 Ų | 148.4 | 97% | 0.966 | 72% | 0.719 | S | S | * | * | trans | -62.6 | 130.8 | 170.8 | -79.4 | 168.9 | 156.2 | 160.8 | -8.9 | 110.5 | ||||
| 552 | S | 37.2 | Very low | 45.5 | Very low | 99 Ų | 99 | 145 Ų | 145 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | trans | -146.9 | 138 | 152.2 | -167.9 | 0 | 0 | 0 | 0 | 109.6 | S554 | S552-S554 VanDerWaalsContact C-N 3.32Å; S552-S554 PolarHBondContact O-N 2.8Å | ||
| 553 | K | 42.5 | Very low | 46.4 | Very low | 222 Ų | 222 | 138.3 Ų | 138.3 | 97% | 0.965 | 67% | 0.665 | S | S | * | * | trans | -94.6 | 41.8 | -175.4 | -67.3 | -174.7 | 177.2 | -178.7 | 0 | 112.3 | ||||
| 554 | S | 43.1 | Very low | 47.2 | Very low | 79 Ų | 79 | 127.5 Ų | 127.5 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -120 | 131.6 | 174.3 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | S552 T556 | S552-S554 VanDerWaalsContact C-N 3.32Å; S552-S554 PolarHBondContact O-N 2.8Å; S554-T556 PolarHBondContact O-N 3Å |
| 555 | L | 46.4 | Very low | 48.4 | Very low | 86 Ų | 86 | 119.6 Ų | 119.6 | 45% | 0.45 | 59% | 0.591 | S | S | . | * | trans | -65.7 | 130.8 | 175 | -55 | -176.7 | 0 | 0 | 0 | 108.7 | H559 W560 | L555-H559 HydrophobicContact CB-CB 4.38Å; L555-W560 HydrophobicContact CB-CD2 4.47Å; L555-W560 HydrophobicContact CB-CZ2 3.79Å; L555-W560 HydrophobicContact CD1-CH2 3.91Å; L555-W560 HydrophobicContact CD1-CZ2 3.81Å; L555-W560 HydrophobicContact CD1-CZ3 4.44Å; L555-W560 HydrophobicContact CG-CZ2 4.09Å; L555-W560 PolarHBondContact O-NE1 3.34Å | ||
| 556 | T | 46 | Very low | 49.3 | Very low | 94 Ų | 94 | 111.9 Ų | 111.9 | 58% | 0.577 | 56% | 0.563 | S | S | * | * | trans | -74.8 | 163.5 | -176.3 | 72.1 | 0 | 0 | 0 | 0 | 111.1 | S554 A558 H559 W560 | S554-T556 PolarHBondContact O-N 3Å; T556-A558 PolarHBondContact O-N 2.95Å; T556-A558 VanDerWaalsContact O-N 3.15Å; T556-H559 PolarHBondContact O-N 3.09Å; T556-W560 VanDerWaalsContact O-CD1 3.28Å; T556-W560 PolarHBondContact O-N 2.76Å; T556-W560 VanDerWaalsContact O-N 3.14Å | ||
| 557 | K | 44.9 | Very low | 50.2 | Low | 168 Ų | 168 | 106.9 Ų | 106.9 | 73% | 0.73 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -49.5 | -42.3 | -179.7 | -177.3 | -165 | 165.7 | -157.4 | 0 | 113.3 | W560 D561 | K557-W560 PolarHBondContact O-N 2.9Å; K557-D561 PolarHBondContact O-N 3.3Å |
| 558 | A | 51.6 | Low | 51.1 | Low | 56 Ų | 56 | 100.2 Ų | 100.2 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T556 W560 D561 E562 | T556-A558 PolarHBondContact O-N 2.95Å; T556-A558 VanDerWaalsContact O-N 3.15Å; A558-W560 PolarHBondContact O-N 3.32Å; A558-D561 WeakPolarHBondContact O-CB 3.49Å; A558-D561 PolarHBondContact O-N 3.33Å; A558-D561 VanDerWaalsContact O-N 3.12Å; A558-E562 WeakPolarHBondContact O-CG 3.32Å; A558-E562 PolarHBondContact O-N 3.38Å |
| 559 | H | 58.7 | Low | 52.6 | Low | 85 Ų | 85 | 96.3 Ų | 96.3 | 39% | 0.394 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.8 | -21.3 | 178.9 | -146.7 | 63.3 | 0 | 0 | 0 | 112.9 | L555 T556 E562 V563 | L555-H559 HydrophobicContact CB-CB 4.38Å; T556-H559 PolarHBondContact O-N 3.09Å; H559-E562 IonicContact CE1-OE2 2.98Å; H559-E562 IonicContact CG-OE2 2.7Å; H559-E562 IonicContact ND1-OE2 3.11Å; H559-E562 PolarHBondContact ND1-OE2 3.5Å; H559-V563 WeakPolarHBondContact O-CB 3.47Å; H559-V563 VanDerWaalsContact O-CG2 3.26Å; H559-V563 WeakPolarHBondContact O-CG2 3.31Å; H559-V563 PolarHBondContact O-N 2.94Å |
| 560 | W | 61.9 | Low | 54.6 | Low | 76 Ų | 76 | 94.7 Ų | 94.7 | 29% | 0.288 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -78.4 | -35 | 169.3 | -71.5 | 109.4 | 0 | 0 | 0 | 113.4 | L555 T556 K557 A558 E562 V563 I564 V761 | L555-W560 HydrophobicContact CB-CD2 4.47Å; L555-W560 HydrophobicContact CB-CZ2 3.79Å; L555-W560 HydrophobicContact CD1-CH2 3.91Å; L555-W560 HydrophobicContact CD1-CZ2 3.81Å; L555-W560 HydrophobicContact CD1-CZ3 4.44Å; L555-W560 HydrophobicContact CG-CZ2 4.09Å; L555-W560 PolarHBondContact O-NE1 3.34Å; T556-W560 VanDerWaalsContact O-CD1 3.28Å; T556-W560 PolarHBondContact O-N 2.76Å; T556-W560 VanDerWaalsContact O-N 3.14Å; K557-W560 PolarHBondContact O-N 2.9Å; A558-W560 PolarHBondContact O-N 3.32Å; W560-E562 VanDerWaalsContact C-N 3.28Å; W560-V563 HydrophobicContact CE3-CB 4.35Å; W560-V563 HydrophobicContact CE3-CG1 4.28Å; W560-V563 HydrophobicContact CZ3-CG1 4.22Å; W560-V563 PolarHBondContact O-N 3.24Å; W560-I564 WeakPolarHBondContact O-CB 3.39Å; W560-I564 WeakPolarHBondContact O-CD1 3.4Å; W560-I564 VanDerWaalsContact O-CG1 3.24Å; W560-I564 WeakPolarHBondContact O-CG1 3.41Å; W560-I564 PolarHBondContact O-N 2.9Å; W560-V761 HydrophobicContact CH2-CG2 3.78Å; W560-V761 HydrophobicContact CZ2-CB 4.42Å; W560-V761 HydrophobicContact CZ2-CG2 3.38Å |
| 561 | D | 63.2 | Low | 56.4 | Low | 53 Ų | 53 | 87.8 Ų | 87.8 | 28% | 0.283 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 165.8 | -79.4 | -58.5 | 0 | 0 | 0 | 109.1 | K557 A558 V563 F565 R702 | K557-D561 PolarHBondContact O-N 3.3Å; A558-D561 WeakPolarHBondContact O-CB 3.49Å; A558-D561 PolarHBondContact O-N 3.33Å; A558-D561 VanDerWaalsContact O-N 3.12Å; D561-V563 PolarHBondContact O-N 2.57Å; D561-F565 WeakPolarHBondContact O-CB 3.15Å; D561-F565 VanDerWaalsContact O-CD2 3.3Å; D561-F565 WeakPolarHBondContact O-CD2 3.45Å; D561-F565 PolarHBondContact O-N 3.35Å; D561-R702 IonicContact OD1-CZ 3.58Å; D561-R702 IonicContact OD1-NH1 3.44Å; D561-R702 PolarHBondContact OD1-NH1 2.89Å; D561-R702 IonicContact OD1-NH2 3.9Å; D561-R702 PolarHBondContact OD1-NH2 2.75Å |
| 562 | E | 64.2 | Low | 58.9 | Low | 101 Ų | 101 | 76.3 Ų | 76.3 | 47% | 0.472 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 174.7 | -67.9 | 164.7 | 177.8 | 0 | 0 | 113.6 | A558 H559 W560 S566 | A558-E562 WeakPolarHBondContact O-CG 3.32Å; A558-E562 PolarHBondContact O-N 3.38Å; H559-E562 IonicContact CE1-OE2 2.98Å; H559-E562 IonicContact CG-OE2 2.7Å; H559-E562 IonicContact ND1-OE2 3.11Å; H559-E562 PolarHBondContact ND1-OE2 3.5Å; W560-E562 VanDerWaalsContact C-N 3.28Å; E562-S566 VanDerWaalsContact O-CA 3.24Å; E562-S566 WeakPolarHBondContact O-CA 3.38Å; E562-S566 WeakPolarHBondContact O-CB 3.41Å; E562-S566 PolarHBondContact O-N 2.89Å |
| 563 | V | 65.4 | Low | 61.3 | Low | 33 Ų | 33 | 74 Ų | 74 | 20% | 0.2 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -78.2 | -35.1 | 178.6 | 166.4 | 0 | 0 | 0 | 0 | 112.6 | H559 W560 D561 S566 | H559-V563 WeakPolarHBondContact O-CB 3.47Å; H559-V563 VanDerWaalsContact O-CG2 3.26Å; H559-V563 WeakPolarHBondContact O-CG2 3.31Å; H559-V563 PolarHBondContact O-N 2.94Å; W560-V563 HydrophobicContact CE3-CB 4.35Å; W560-V563 HydrophobicContact CE3-CG1 4.28Å; W560-V563 HydrophobicContact CZ3-CG1 4.22Å; W560-V563 PolarHBondContact O-N 3.24Å; D561-V563 PolarHBondContact O-N 2.57Å; V563-S566 PolarHBondContact O-OG 2.99Å |
| 564 | I | 62.9 | Low | 63.8 | Low | 17 Ų | 17 | 63.4 Ų | 63.4 | 9% | 0.087 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -75.8 | -36 | 177.8 | -67.4 | 167.2 | 0 | 0 | 0 | 111.6 | W560 T650 M758 | W560-I564 WeakPolarHBondContact O-CB 3.39Å; W560-I564 WeakPolarHBondContact O-CD1 3.4Å; W560-I564 VanDerWaalsContact O-CG1 3.24Å; W560-I564 WeakPolarHBondContact O-CG1 3.41Å; W560-I564 PolarHBondContact O-N 2.9Å; I564-T650 HydrophobicContact CG1-CG2 4.18Å; I564-M758 HydrophobicContact CG2-CE 4.34Å; I564-M758 HydrophobicContact CG2-SD 4.04Å |
| 565 | F | 67.1 | Low | 66.3 | Low | 36 Ų | 36 | 59.8 Ų | 59.8 | 16% | 0.158 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 26.1 | 179.6 | -58.6 | -82 | 0 | 0 | 0 | 111.9 | D561 R702 I703 L706 Y707 | D561-F565 WeakPolarHBondContact O-CB 3.15Å; D561-F565 VanDerWaalsContact O-CD2 3.3Å; D561-F565 WeakPolarHBondContact O-CD2 3.45Å; D561-F565 PolarHBondContact O-N 3.35Å; F565-R702 HydrophobicContact CE1-CB 3.77Å; F565-R702 HydrophobicContact CZ-CB 3.77Å; F565-I703 HydrophobicContact CE1-CG1 4.32Å; F565-I703 HydrophobicContact CZ-CG1 4.46Å; F565-L706 HydrophobicContact CD1-CD1 3.7Å; F565-L706 HydrophobicContact CE1-CD1 4.13Å; F565-Y707 WeakPolarHBondContact CA-OH 3.28Å; F565-Y707 AromaticContact CD1-CE2 3.75Å; F565-Y707 HydrophobicContact CD1-CE2 3.75Å; F565-Y707 HydrophobicContact CE1-CE2 4.2Å |
| 566 | S | 61.7 | Low | 68.5 | Low | 44 Ų | 44 | 56.5 Ų | 56.5 | 31% | 0.308 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 143.2 | 173.2 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | E562 V563 G568 S652 | E562-S566 VanDerWaalsContact O-CA 3.24Å; E562-S566 WeakPolarHBondContact O-CA 3.38Å; E562-S566 WeakPolarHBondContact O-CB 3.41Å; E562-S566 PolarHBondContact O-N 2.89Å; V563-S566 PolarHBondContact O-OG 2.99Å; S566-G568 PolarHBondContact O-N 2.88Å; S566-S652 WeakPolarHBondContact O-CB 3.47Å; S566-S652 PolarHBondContact O-OG 2.92Å; S566-S652 VanDerWaalsContact O-OG 3.11Å; S566-S652 PolarHBondContact OG-OG 2.88Å |
| 567 | H | 60 | Low | 70.8 | Confident | 76 Ų | 76 | 55 Ų | 55 | 35% | 0.352 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 133.8 | 164.3 | -60.6 | -46.8 | 0 | 0 | 0 | 109.2 | E528 H529 | E528-H567 PolarHBondContact O-NE2 3.12Å; E528-H567 IonicContact OE1-CE1 2.71Å; H529-H567 AromaticContact CE1-CD2 3.63Å; H529-H567 AromaticContact CE1-CG 3.94Å; H529-H567 AromaticContact ND1-CD2 3.72Å; H529-H567 AromaticContact NE2-CD2 3.93Å |
| 568 | G | 59 | Low | 72.9 | Confident | 22 Ų | 22 | 47 Ų | 47 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 144.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S566 I570 | S566-G568 PolarHBondContact O-N 2.88Å; G568-I570 PolarHBondContact O-N 3.45Å |
| 569 | T | 65.4 | Low | 74.5 | Confident | 111 Ų | 111 | 47.8 Ų | 47.8 | 68% | 0.681 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -73 | 13.4 | 178.3 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | K656 | T569-K656 VanDerWaalsContact OG1-CE 3.22Å; T569-K656 WeakPolarHBondContact OG1-CE 3.31Å |
| 570 | I | 74.3 | Confident | 75.6 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 13% | 0.128 | 24% | 0.239 | C | C | . | . | trans | -114.6 | 107.4 | -174 | -63 | -173.2 | 0 | 0 | 0 | 108.8 | G568 F572 K656 Y659 L750 | G568-I570 PolarHBondContact O-N 3.45Å; I570-F572 HydrophobicContact CB-CD2 4.24Å; I570-F572 HydrophobicContact CB-CE2 4.17Å; I570-F572 HydrophobicContact CG2-CD2 3.64Å; I570-F572 HydrophobicContact CG2-CE2 3.7Å; I570-F572 HydrophobicContact CG2-CG 4.14Å; I570-F572 HydrophobicContact CG2-CZ 4.24Å; I570-F572 PolarHBondContact O-N 2.94Å; I570-K656 HydrophobicContact CD1-CB 4.23Å; I570-K656 HydrophobicContact CD1-CG 3.84Å; I570-K656 HydrophobicContact CG1-CG 4.45Å; I570-Y659 HydrophobicContact CD1-CD1 3.9Å; I570-Y659 HydrophobicContact CD1-CD2 4.45Å; I570-Y659 HydrophobicContact CD1-CG 3.77Å; I570-Y659 HydrophobicContact CG2-CD1 4.49Å; I570-Y659 HydrophobicContact CG2-CD2 3.47Å; I570-Y659 VanDerWaalsContact CG2-CD2 3.47Å; I570-Y659 HydrophobicContact CG2-CE2 3.79Å; I570-Y659 HydrophobicContact CG2-CG 3.86Å; I570-L750 HydrophobicContact CD1-CD1 4.01Å | ||
| 571 | D | 77.2 | Confident | 76.5 | Confident | 105 Ų | 105 | 46.4 Ų | 46.4 | 56% | 0.561 | 24% | 0.244 | S | C | * | . | trans | -74 | 73.5 | 172.2 | -79.3 | -38.3 | 0 | 0 | 0 | 109.8 | K808 | D571-K808 IonicContact OD2-NZ 3.73Å; D571-K808 PolarHBondContact OD2-NZ 2.78Å | ||
| 572 | F | 83.7 | Confident | 77.5 | Confident | 15 Ų | 15 | 47 Ų | 47 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | trans | -53.3 | 145.9 | 172.6 | -78.8 | -90.6 | 0 | 0 | 0 | 111.2 | H455 R525 I570 E655 Y659 | H455-F572 HydrophobicContact CB-CB 3.97Å; H455-F572 AromaticContact CE1-CD1 3.31Å; H455-F572 WeakPolarHBondContact CE1-CD1 3.36Å; H455-F572 AromaticContact CE1-CE1 3.51Å; H455-F572 AromaticContact CE1-CG 3.73Å; H455-F572 AromaticContact CG-CG 3.98Å; H455-F572 AromaticContact ND1-CD1 3.76Å; H455-F572 AromaticContact ND1-CG 3.67Å; H455-F572 AromaticContact NE2-CD1 3.49Å; H455-F572 WeakPolarHBondContact NE2-CD1 3.36Å; H455-F572 AromaticContact NE2-CE1 3.94Å; R525-F572 PolarHBondContact NH1-O 3.47Å; R525-F572 PolarHBondContact NH2-O 2.99Å; I570-F572 HydrophobicContact CB-CD2 4.24Å; I570-F572 HydrophobicContact CB-CE2 4.17Å; I570-F572 HydrophobicContact CG2-CD2 3.64Å; I570-F572 HydrophobicContact CG2-CE2 3.7Å; I570-F572 HydrophobicContact CG2-CG 4.14Å; I570-F572 HydrophobicContact CG2-CZ 4.24Å; I570-F572 PolarHBondContact O-N 2.94Å; F572-E655 HydrophobicContact CE2-CB 4.26Å; F572-Y659 HydrophobicContact CD1-CD2 4.17Å; F572-Y659 AromaticContact CE1-CD2 3.83Å; F572-Y659 HydrophobicContact CE1-CD2 3.83Å; F572-Y659 HydrophobicContact CE1-CG 4.48Å; F572-Y659 HydrophobicContact CZ-CD2 4.16Å; F572-Y659 HydrophobicContact CZ-CG 4.47Å | ||
| 573 | A | 89.3 | Confident | 78.1 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 41% | 0.405 | 23% | 0.227 | S | C | . | . | trans | -59 | 144.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | H455 Y575 | H455-A573 WeakPolarHBondContact CB-O 3.48Å; H455-A573 PolarHBondContact CD2-O 2.97Å; A573-Y575 WeakPolarHBondContact CB-O 3.35Å; A573-Y575 PolarHBondContact O-N 3.11Å | ||
| 574 | A | 94.3 | Very high | 78.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -57.6 | -35.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | H455 F456 A517 N518 A521 | H455-A574 PolarHBondContact N-O 2.79Å; F456-A574 HydrophobicContact CD1-CB 3.96Å; F456-A574 HydrophobicContact CE1-CB 3.81Å; A517-A574 VanDerWaalsContact C-CB 3.48Å; A517-A574 HydrophobicContact CB-CB 4.01Å; A517-A574 WeakPolarHBondContact O-CB 3.14Å; N518-A574 HydrophobicContact CB-CB 4.34Å; N518-A574 VanDerWaalsContact OD1-CB 3.27Å; N518-A574 WeakPolarHBondContact OD1-CB 3.24Å; N518-A574 PolarHBondContact OD1-N 2.93Å; A521-A574 HydrophobicContact CB-CB 3.63Å |
| 575 | Y | 96 | Very high | 80 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.8 | 164.3 | -56.2 | -32.1 | 0 | 0 | 0 | 109.2 | I452 R453 V454 F456 F468 W488 I511 P512 M514 A517 A573 | I452-Y575 HydrophobicContact CD1-CD1 3.72Å; I452-Y575 HydrophobicContact CD1-CD2 3.73Å; I452-Y575 HydrophobicContact CD1-CE1 4.11Å; I452-Y575 HydrophobicContact CD1-CE2 4.1Å; I452-Y575 HydrophobicContact CD1-CG 3.52Å; R453-Y575 CarbonylContact O-C 3.55Å; R453-Y575 WeakPolarHBondContact O-CA 3.47Å; V454-Y575 HydrophobicContact CB-CD1 4.13Å; V454-Y575 HydrophobicContact CB-CE1 4.21Å; V454-Y575 HydrophobicContact CG1-CD1 3.71Å; V454-Y575 HydrophobicContact CG1-CE1 3.64Å; F456-Y575 HydrophobicContact CE1-CD1 4.4Å; F456-Y575 AromaticContact CE1-CE1 3.94Å; F456-Y575 HydrophobicContact CE1-CE1 3.94Å; F468-Y575 HydrophobicContact CE2-CE1 4.37Å; F468-Y575 AromaticContact CZ-CE1 3.91Å; F468-Y575 HydrophobicContact CZ-CE1 3.91Å; W488-Y575 HydrophobicContact CE3-CD2 4.38Å; W488-Y575 HydrophobicContact CE3-CE2 4.34Å; W488-Y575 AromaticContact CZ3-CD2 3.97Å; W488-Y575 HydrophobicContact CZ3-CD2 3.97Å; W488-Y575 HydrophobicContact CZ3-CE2 4.38Å; I511-Y575 HydrophobicContact CD1-CE2 4.18Å; P512-Y575 VanDerWaalsContact O-CE2 3.25Å; P512-Y575 WeakPolarHBondContact O-CE2 3.28Å; P512-Y575 PolarHBondContact O-OH 2.74Å; M514-Y575 HydrophobicContact CE-CD2 4.47Å; M514-Y575 HydrophobicContact SD-CD2 4.37Å; A517-Y575 HydrophobicContact CB-CD1 4.32Å; A517-Y575 HydrophobicContact CB-CD2 3.91Å; A517-Y575 HydrophobicContact CB-CE1 3.86Å; A517-Y575 HydrophobicContact CB-CE2 3.41Å; A517-Y575 VanDerWaalsContact CB-CE2 3.41Å; A517-Y575 HydrophobicContact CB-CG 4.34Å; A573-Y575 WeakPolarHBondContact CB-O 3.35Å; A573-Y575 PolarHBondContact O-N 3.11Å |
| 576 | E | 92.9 | Very high | 81.1 | Confident | 17 Ų | 17 | 44 Ų | 44 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 125.2 | 171.9 | 173 | -168.2 | -162.5 | 0 | 0 | 108.1 | I452 R453 H455 V578 S742 | I452-E576 CarbonylContact C-O 3.49Å; I452-E576 WeakPolarHBondContact CA-O 3.07Å; R453-E576 HydrophobicContact CB-CB 4.41Å; R453-E576 WeakPolarHBondContact CD-OE2 2.97Å; R453-E576 IonicContact CZ-OE2 3.74Å; R453-E576 PolarHBondContact N-O 2.93Å; R453-E576 IonicContact NE-OE2 3.02Å; R453-E576 IonicContact NH1-OE1 2.71Å; R453-E576 PolarHBondContact NH1-OE1 2.98Å; R453-E576 IonicContact NH1-OE2 2.95Å; R453-E576 PolarHBondContact NH1-OE2 2.78Å; R453-E576 PolarHBondContact O-N 2.81Å; H455-E576 IonicContact CD2-OE2 2.87Å; H455-E576 IonicContact CE1-OE2 3.87Å; H455-E576 WeakPolarHBondContact NE2-CB 3.06Å; H455-E576 IonicContact NE2-OE2 3.25Å; H455-E576 PolarHBondContact NE2-OE2 3.11Å; E576-V578 HydrophobicContact CG-CG1 3.94Å; E576-S742 WeakPolarHBondContact OE1-CB 3.29Å |
| 577 | R | 92.6 | Very high | 82.6 | Confident | 64 Ų | 64 | 42.3 Ų | 42.3 | 24% | 0.242 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 131.3 | 171.8 | -67.3 | -163.1 | -174.3 | -164.6 | 7.4 | 109.8 | E415 F450 F451 E743 | E415-R577 IonicContact OE1-NH2 3.03Å; E415-R577 PolarHBondContact OE1-NH2 3.19Å; E415-R577 IonicContact OE2-NH2 3.71Å; F450-R577 HydrophobicContact CD2-CG 4Å; F450-R577 HydrophobicContact CE2-CG 4.31Å; F451-R577 WeakPolarHBondContact O-CA 3.13Å; R577-E743 HydrophobicContact CB-CB 4.26Å; R577-E743 HydrophobicContact CB-CG 3.94Å; R577-E743 VanDerWaalsContact CB-OE2 3.27Å; R577-E743 WeakPolarHBondContact CB-OE2 3.41Å; R577-E743 WeakPolarHBondContact CD-OE2 3.26Å; R577-E743 PolarHBondContact O-N 3.28Å |
| 578 | V | 88.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.7 | -173.5 | -67.2 | 0 | 0 | 0 | 0 | 113.1 | F451 R453 I473 E576 W740 M741 | F451-V578 HydrophobicContact CB-CG2 4.04Å; F451-V578 WeakPolarHBondContact CB-O 3.15Å; F451-V578 PolarHBondContact O-N 3.43Å; R453-V578 HydrophobicContact CB-CG1 3.98Å; R453-V578 HydrophobicContact CB-CG2 4.49Å; I473-V578 HydrophobicContact CG2-CG2 4.29Å; E576-V578 HydrophobicContact CG-CG1 3.94Å; V578-W740 HydrophobicContact CB-CB 4.42Å; V578-W740 HydrophobicContact CB-CE3 4.21Å; V578-W740 HydrophobicContact CG2-CD2 4.42Å; V578-W740 HydrophobicContact CG2-CE3 3.75Å; V578-W740 HydrophobicContact CG2-CZ3 4.39Å; V578-M741 CarbonylContact C-O 3.53Å; V578-M741 WeakPolarHBondContact CA-O 3.45Å; V578-M741 WeakPolarHBondContact CB-O 3.23Å |
| 579 | Q | 85.5 | Confident | 86.2 | Confident | 72 Ų | 72 | 37.6 Ų | 37.6 | 34% | 0.336 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 145.5 | 172.7 | -75.1 | 176.2 | 13.8 | 0 | 0 | 111.3 | R581 M741 E743 | Q579-R581 HydrophobicContact CB-CG 4.19Å; Q579-R581 PolarHBondContact O-N 3.01Å; Q579-R581 VanDerWaalsContact OE1-NE 3.11Å; Q579-M741 PolarHBondContact N-O 3.47Å; Q579-M741 PolarHBondContact O-N 2.97Å; Q579-E743 HydrophobicContact CG-CG 3.82Å; Q579-E743 WeakPolarHBondContact CG-OE1 3.25Å; Q579-E743 PolarHBondContact NE2-OE1 2.98Å |
| 580 | L | 82.3 | Confident | 87.6 | Confident | 24 Ų | 24 | 32.3 Ų | 32.3 | 13% | 0.126 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 92.6 | -179.5 | -168.5 | 76.4 | 0 | 0 | 0 | 111.3 | P244 R738 V739 W740 | P244-L580 HydrophobicContact CG-CB 3.95Å; P244-L580 HydrophobicContact CG-CD2 3.63Å; P244-L580 HydrophobicContact CG-CG 4.42Å; L580-R738 HydrophobicContact CD1-CB 4.08Å; L580-R738 HydrophobicContact CD2-CB 4.1Å; L580-R738 HydrophobicContact CG-CB 3.64Å; L580-V739 WeakPolarHBondContact CA-O 3.32Å; L580-W740 HydrophobicContact CB-CD2 4.19Å; L580-W740 HydrophobicContact CB-CE3 3.96Å; L580-W740 HydrophobicContact CB-CH2 4.05Å; L580-W740 HydrophobicContact CB-CZ2 4.26Å; L580-W740 HydrophobicContact CB-CZ3 3.9Å; L580-W740 HydrophobicContact CD1-CD2 3.88Å; L580-W740 HydrophobicContact CD1-CG 4.01Å; L580-W740 HydrophobicContact CD1-CZ2 4.29Å |
| 581 | R | 80.6 | Confident | 88.6 | Confident | 107 Ų | 107 | 31.1 Ų | 31.1 | 40% | 0.404 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 151.8 | -173.7 | -63.4 | -179.2 | 178.1 | 177.1 | 0.3 | 111.9 | Q579 R738 V739 M741 | Q579-R581 HydrophobicContact CB-CG 4.19Å; Q579-R581 PolarHBondContact O-N 3.01Å; Q579-R581 VanDerWaalsContact OE1-NE 3.11Å; R581-R738 CarbonylContact O-C 3.56Å; R581-R738 WeakPolarHBondContact O-CA 3.41Å; R581-V739 PolarHBondContact N-O 2.7Å; R581-V739 PolarHBondContact O-N 3.32Å; R581-M741 HydrophobicContact CB-CG 4.42Å; R581-M741 HydrophobicContact CB-SD 3.98Å |
| 582 | H | 84.4 | Confident | 89.4 | Confident | 67 Ų | 67 | 26.4 Ų | 26.4 | 31% | 0.31 | 14% | 0.135 | S | C | . | . | trans | -81.1 | 129.6 | 166.8 | -175 | -98.9 | 0 | 0 | 0 | 108.6 | G584 R738 | H582-G584 VanDerWaalsContact C-N 3.28Å; H582-G584 PolarHBondContact ND1-N 3.17Å; H582-G584 PolarHBondContact O-N 3.2Å; H582-R738 HydrophobicContact CB-CG 4.42Å | ||
| 583 | P | 77.4 | Confident | 89.8 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | trans | -69.9 | -22 | -170.5 | 25.1 | -33.1 | 0 | 0 | 0 | 113.9 | F585 R587 M741 | P583-F585 HydrophobicContact CB-CD1 4.41Å; P583-F585 HydrophobicContact CB-CD2 4.42Å; P583-F585 HydrophobicContact CB-CE1 3.99Å; P583-F585 HydrophobicContact CB-CE2 4.02Å; P583-F585 HydrophobicContact CB-CZ 3.78Å; P583-F585 WeakPolarHBondContact O-CD1 3.3Å; P583-F585 VanDerWaalsContact O-CE1 3.27Å; P583-F585 WeakPolarHBondContact O-CE1 3.38Å; P583-F585 PolarHBondContact O-N 3.31Å; P583-F585 VanDerWaalsContact O-N 3.13Å; P583-R587 HydrophobicContact CG-CG 3.98Å; P583-M741 HydrophobicContact CB-SD 4.39Å | ||
| 584 | G | 80.6 | Confident | 89.8 | Confident | 38 Ų | 38 | 24.1 Ų | 24.1 | 39% | 0.392 | 12% | 0.12 | S | C | . | . | trans | 78.5 | -14.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | H582 N846 | H582-G584 VanDerWaalsContact C-N 3.28Å; H582-G584 PolarHBondContact ND1-N 3.17Å; H582-G584 PolarHBondContact O-N 3.2Å; G584-N846 PolarHBondContact O-ND2 3.04Å | ||
| 585 | F | 87.5 | Confident | 89.6 | Confident | 62 Ų | 62 | 24.1 Ų | 24.1 | 27% | 0.272 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -118.3 | 160.7 | 175.4 | 53.9 | -103.4 | 0 | 0 | 0 | 111.9 | P583 R587 M639 Q661 Y662 Q735 | P583-F585 HydrophobicContact CB-CD1 4.41Å; P583-F585 HydrophobicContact CB-CD2 4.42Å; P583-F585 HydrophobicContact CB-CE1 3.99Å; P583-F585 HydrophobicContact CB-CE2 4.02Å; P583-F585 HydrophobicContact CB-CZ 3.78Å; P583-F585 WeakPolarHBondContact O-CD1 3.3Å; P583-F585 VanDerWaalsContact O-CE1 3.27Å; P583-F585 WeakPolarHBondContact O-CE1 3.38Å; P583-F585 PolarHBondContact O-N 3.31Å; P583-F585 VanDerWaalsContact O-N 3.13Å; F585-R587 HydrophobicContact CD2-CG 4.43Å; F585-R587 HydrophobicContact CE2-CG 4.15Å; F585-R587 PolarHBondContact O-N 3.47Å; F585-M639 HydrophobicContact CB-CE 4.08Å; F585-M639 HydrophobicContact CD1-CE 4.34Å; F585-M639 HydrophobicContact CD2-CE 3.3Å; F585-M639 HydrophobicContact CE2-CE 3.76Å; F585-M639 HydrophobicContact CG-CE 3.65Å; F585-M639 HydrophobicContact CZ-CE 4.44Å; F585-Q661 WeakPolarHBondContact CZ-O 3.45Å; F585-Y662 WeakPolarHBondContact CE2-O 3.15Å; F585-Q735 PolarHBondContact O-NE2 3.25Å |
| 586 | L | 90.1 | Very high | 89.5 | Confident | 9 Ų | 9 | 24.2 Ų | 24.2 | 5% | 0.047 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 117 | 167.7 | -68.2 | -172.3 | 0 | 0 | 0 | 110.4 | N642 Q735 | L586-N642 WeakPolarHBondContact CD1-O 3.3Å; L586-N642 VanDerWaalsContact CD1-OD1 3.28Å; L586-N642 WeakPolarHBondContact CD1-OD1 3.43Å; L586-N642 WeakPolarHBondContact CG-OD1 3.34Å; L586-Q735 HydrophobicContact CD2-CG 3.71Å |
| 587 | R | 94.1 | Very high | 89.3 | Confident | 8 Ų | 8 | 23.9 Ų | 23.9 | 3% | 0.03 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 148 | -173.3 | -59.4 | 162.2 | 70.1 | -178.7 | -2.8 | 110.9 | P583 F585 H644 C663 P664 I665 L734 Q735 | P583-R587 HydrophobicContact CG-CG 3.98Å; F585-R587 HydrophobicContact CD2-CG 4.43Å; F585-R587 HydrophobicContact CE2-CG 4.15Å; F585-R587 PolarHBondContact O-N 3.47Å; R587-H644 PolarHBondContact O-ND1 3.34Å; R587-C663 VanDerWaalsContact CZ-O 3.26Å; R587-C663 PolarHBondContact NE-O 2.64Å; R587-C663 PolarHBondContact NH2-O 2.76Å; R587-P664 PolarHBondContact NH2-O 3.45Å; R587-I665 HydrophobicContact CB-CD1 4.17Å; R587-I665 HydrophobicContact CB-CG1 4.01Å; R587-L734 PolarHBondContact NH1-O 2.9Å; R587-Q735 VanDerWaalsContact CG-OE1 3.26Å |
| 588 | P | 96.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 150.7 | 164.2 | -19.8 | 33.1 | 0 | 0 | 0 | 110.9 | I635 M639 C645 L647 Y662 P664 I665 | P588-I635 HydrophobicContact CB-CG2 4.39Å; P588-I635 HydrophobicContact CG-CG2 3.72Å; P588-M639 HydrophobicContact CG-SD 4.2Å; P588-C645 CarbonylContact C-O 3.56Å; P588-C645 WeakPolarHBondContact CA-O 3.4Å; P588-C645 HydrophobicContact CB-CB 4.2Å; P588-L647 HydrophobicContact CB-CD1 3.75Å; P588-Y662 WeakPolarHBondContact CD-O 3.45Å; P588-Y662 HydrophobicContact CG-CD1 4.23Å; P588-P664 HydrophobicContact CB-CB 4.35Å; P588-P664 CarbonylContact O-C 3.42Å; P588-P664 VanDerWaalsContact O-CA 3.29Å; P588-P664 WeakPolarHBondContact O-CA 3.37Å; P588-I665 PolarHBondContact O-N 2.86Å |
| 589 | V | 97 | Very high | 89.4 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 118.4 | -178.3 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | I591 F611 H644 C645 I646 L647 I665 I731 | V589-I591 HydrophobicContact CG1-CD1 4.46Å; V589-I591 HydrophobicContact CG1-CG1 4.11Å; V589-F611 HydrophobicContact CG2-CE1 4.46Å; V589-H644 HydrophobicContact CG2-CB 3.89Å; V589-C645 PolarHBondContact N-O 2.67Å; V589-I646 HydrophobicContact CB-CD1 4.05Å; V589-I646 HydrophobicContact CG1-CD1 4.29Å; V589-L647 PolarHBondContact O-N 3.37Å; V589-I665 CarbonylContact C-O 3.52Å; V589-I665 WeakPolarHBondContact CA-O 3.47Å; V589-I665 HydrophobicContact CG1-CG2 4.36Å; V589-I665 HydrophobicContact CG2-CB 4.17Å; V589-I665 HydrophobicContact CG2-CD1 4.3Å; V589-I731 HydrophobicContact CG1-CD1 3.97Å; V589-I731 HydrophobicContact CG1-CG1 4.17Å; V589-I731 HydrophobicContact CG2-CG2 4.06Å |
| 590 | V | 95.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.4 | 176.1 | -176.8 | 0 | 0 | 0 | 0 | 108 | Y592 L647 I649 V654 P664 I665 V666 I667 | V590-Y592 HydrophobicContact CG1-CD2 4.28Å; V590-Y592 HydrophobicContact CG1-CE1 4.02Å; V590-Y592 HydrophobicContact CG1-CE2 3.75Å; V590-L647 HydrophobicContact CG2-CB 4.09Å; V590-I649 HydrophobicContact CG2-CD1 4.26Å; V590-I649 HydrophobicContact CG2-CG1 4.26Å; V590-V654 HydrophobicContact CB-CG2 4.49Å; V590-V654 HydrophobicContact CG1-CG2 4.03Å; V590-V654 HydrophobicContact CG2-CG2 4.08Å; V590-P664 HydrophobicContact CG2-CB 4.25Å; V590-I665 PolarHBondContact N-O 3.29Å; V590-V666 HydrophobicContact CB-CG1 4.5Å; V590-V666 HydrophobicContact CB-CG2 4.37Å; V590-V666 WeakPolarHBondContact O-CA 3.22Å; V590-I667 PolarHBondContact O-N 2.85Å |
| 591 | I | 95.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.1 | 177.9 | -50.7 | -177.6 | 0 | 0 | 0 | 108.8 | V589 A596 A599 R600 L603 I667 V669 L727 | V589-I591 HydrophobicContact CG1-CD1 4.46Å; V589-I591 HydrophobicContact CG1-CG1 4.11Å; I591-A596 HydrophobicContact CB-CB 4.33Å; I591-A596 HydrophobicContact CG2-CB 3.88Å; I591-A596 WeakPolarHBondContact O-CB 3.23Å; I591-A599 HydrophobicContact CD1-CB 3.98Å; I591-A599 HydrophobicContact CG2-CB 4.21Å; I591-R600 HydrophobicContact CB-CG 4.25Å; I591-R600 HydrophobicContact CD1-CG 4.05Å; I591-R600 HydrophobicContact CG1-CG 4.3Å; I591-R600 PolarHBondContact O-NH1 3.01Å; I591-R600 VanDerWaalsContact O-NH1 3.12Å; I591-L603 HydrophobicContact CD1-CD1 3.61Å; I591-I667 WeakPolarHBondContact CA-O 3.49Å; I591-V669 HydrophobicContact CG2-CG2 3.79Å; I591-L727 HydrophobicContact CD1-CD1 4.3Å; I591-L727 HydrophobicContact CD1-CD2 4.13Å |
| 592 | Y | 93.7 | Very high | 90.6 | Very high | 5 Ų | 5 | 17.9 Ų | 17.9 | 2% | 0.02 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 171.6 | 174.2 | -67.3 | -49.9 | 0 | 0 | 0 | 111 | V590 I649 T650 P651 V654 V666 I667 V669 I703 F711 M758 | V590-Y592 HydrophobicContact CG1-CD2 4.28Å; V590-Y592 HydrophobicContact CG1-CE1 4.02Å; V590-Y592 HydrophobicContact CG1-CE2 3.75Å; Y592-I649 WeakPolarHBondContact CE1-O 3.07Å; Y592-I649 PolarHBondContact OH-O 3.48Å; Y592-T650 VanDerWaalsContact OH-C 3.3Å; Y592-T650 PolarHBondContact OH-O 2.83Å; Y592-P651 WeakPolarHBondContact OH-CA 3.31Å; Y592-V654 HydrophobicContact CE2-CG2 4.3Å; Y592-V654 WeakPolarHBondContact OH-CG2 3.45Å; Y592-V666 HydrophobicContact CD2-CG1 3.95Å; Y592-V666 HydrophobicContact CE2-CG1 3.98Å; Y592-I667 PolarHBondContact N-O 2.91Å; Y592-V669 PolarHBondContact O-N 2.87Å; Y592-I703 HydrophobicContact CD1-CD1 4.23Å; Y592-I703 HydrophobicContact CD2-CG2 4.15Å; Y592-I703 HydrophobicContact CG-CG2 4.19Å; Y592-F711 HydrophobicContact CD2-CE1 4.03Å; Y592-M758 HydrophobicContact CD1-CE 4.34Å; Y592-M758 HydrophobicContact CE1-CE 4.14Å; Y592-M758 HydrophobicContact CE1-CG 4.19Å; Y592-M758 HydrophobicContact CE1-SD 4.23Å |
| 593 | G | 91.1 | Very high | 91 | Very high | 15 Ų | 15 | 14.7 Ų | 14.7 | 16% | 0.155 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 99.5 | -174.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L595 A596 V669 | G593-L595 PolarHBondContact O-N 2.91Å; G593-A596 WeakPolarHBondContact O-CB 3.13Å; G593-A596 PolarHBondContact O-N 3.01Å; G593-V669 WeakPolarHBondContact CA-O 3.47Å |
| 594 | T | 89.3 | Confident | 91.6 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -10.9 | -160.5 | 61.4 | 0 | 0 | 0 | 0 | 115 | V669 V671 L677 R681 H697 A700 | T594-V669 PolarHBondContact N-O 2.96Å; T594-V671 VanDerWaalsContact OG1-CG2 3.31Å; T594-V671 WeakPolarHBondContact OG1-CG2 3.09Å; T594-L677 HydrophobicContact CG2-CD2 3.96Å; T594-L677 WeakPolarHBondContact OG1-CD1 3.5Å; T594-R681 PolarHBondContact O-NH1 2.91Å; T594-H697 HydrophobicContact CG2-CB 4.2Å; T594-A700 HydrophobicContact CG2-CB 3.58Å |
| 595 | L | 91.2 | Very high | 92 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 9.9 | 177.4 | -58.5 | 173.8 | 0 | 0 | 0 | 112.4 | G593 D597 I598 A599 V669 V671 L677 L680 R681 V717 W723 | G593-L595 PolarHBondContact O-N 2.91Å; L595-D597 VanDerWaalsContact C-N 3.31Å; L595-D597 PolarHBondContact O-N 2.9Å; L595-I598 HydrophobicContact CD2-CD1 4.16Å; L595-I598 PolarHBondContact O-N 2.79Å; L595-A599 WeakPolarHBondContact O-CB 3.28Å; L595-A599 PolarHBondContact O-N 2.87Å; L595-V669 HydrophobicContact CB-CG1 4.19Å; L595-V669 HydrophobicContact CD1-CG1 4.33Å; L595-V671 HydrophobicContact CD1-CG2 3.85Å; L595-V671 HydrophobicContact CG-CG2 4.16Å; L595-L677 HydrophobicContact CD2-CD1 3.81Å; L595-L677 HydrophobicContact CG-CD1 4.32Å; L595-L680 HydrophobicContact CD1-CB 4.37Å; L595-L680 HydrophobicContact CD1-CD1 3.94Å; L595-L680 HydrophobicContact CD2-CB 4.16Å; L595-R681 HydrophobicContact CD2-CG 3.7Å; L595-V717 HydrophobicContact CD1-CG1 3.92Å; L595-W723 HydrophobicContact CB-CH2 4.01Å; L595-W723 HydrophobicContact CB-CZ2 4.4Å; L595-W723 HydrophobicContact CB-CZ3 4.41Å; L595-W723 HydrophobicContact CD1-CD2 4.43Å; L595-W723 HydrophobicContact CD1-CH2 4.37Å; L595-W723 HydrophobicContact CD1-CZ2 4.07Å |
| 596 | A | 92.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 21 Ų | 21 | 5% | 0.05 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.5 | -33.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I591 G593 R600 | I591-A596 HydrophobicContact CB-CB 4.33Å; I591-A596 HydrophobicContact CG2-CB 3.88Å; I591-A596 WeakPolarHBondContact O-CB 3.23Å; G593-A596 WeakPolarHBondContact O-CB 3.13Å; G593-A596 PolarHBondContact O-N 3.01Å; A596-R600 VanDerWaalsContact O-CG 3.27Å; A596-R600 WeakPolarHBondContact O-CG 3.09Å; A596-R600 PolarHBondContact O-N 3.25Å; A596-R600 VanDerWaalsContact O-N 3.13Å; A596-R600 PolarHBondContact O-NE 3.06Å |
| 597 | D | 88.7 | Confident | 92 | Very high | 9 Ų | 9 | 21 Ų | 21 | 5% | 0.048 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.2 | -52 | 174.8 | 55.8 | -17.3 | 0 | 0 | 0 | 111.5 | L595 A599 R600 E601 R681 K691 | L595-D597 VanDerWaalsContact C-N 3.31Å; L595-D597 PolarHBondContact O-N 2.9Å; D597-A599 VanDerWaalsContact C-N 3.27Å; D597-A599 PolarHBondContact O-N 2.91Å; D597-R600 PolarHBondContact O-N 2.79Å; D597-E601 WeakPolarHBondContact O-CB 3.32Å; D597-E601 VanDerWaalsContact O-CG 3.3Å; D597-E601 WeakPolarHBondContact O-CG 3.29Å; D597-E601 PolarHBondContact O-N 3.11Å; D597-R681 IonicContact OD1-CZ 2.7Å; D597-R681 IonicContact OD1-NH1 3.5Å; D597-R681 PolarHBondContact OD1-NH1 3.02Å; D597-R681 IonicContact OD1-NH2 3.57Å; D597-R681 PolarHBondContact OD1-NH2 3.18Å; D597-R681 IonicContact OD2-CZ 3.25Å; D597-R681 IonicContact OD2-NH1 2.76Å; D597-R681 PolarHBondContact OD2-NH1 2.8Å; D597-R681 IonicContact OD2-NH2 3.58Å; D597-R681 PolarHBondContact OD2-NH2 3.18Å; D597-K691 VanDerWaalsContact OD2-CD 3.31Å; D597-K691 WeakPolarHBondContact OD2-CD 3.24Å; D597-K691 WeakPolarHBondContact OD2-CE 3.13Å; D597-K691 IonicContact OD2-NZ 2.67Å; D597-K691 PolarHBondContact OD2-NZ 2.78Å |
| 598 | I | 90.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.9 | -43 | 175.1 | -64.8 | 170.7 | 0 | 0 | 0 | 110.9 | L595 Q602 R681 Y684 A688 W723 | L595-I598 HydrophobicContact CD2-CD1 4.16Å; L595-I598 PolarHBondContact O-N 2.79Å; I598-Q602 VanDerWaalsContact O-CB 3.27Å; I598-Q602 WeakPolarHBondContact O-CB 3.43Å; I598-Q602 PolarHBondContact O-N 2.71Å; I598-R681 HydrophobicContact CD1-CB 4.33Å; I598-R681 HydrophobicContact CD1-CG 3.92Å; I598-Y684 HydrophobicContact CG2-CG 4.33Å; I598-A688 HydrophobicContact CD1-CB 3.94Å; I598-A688 HydrophobicContact CG1-CB 4.06Å; I598-W723 HydrophobicContact CG2-CZ2 4.5Å |
| 599 | A | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I591 L595 D597 Q602 L603 W723 L727 | I591-A599 HydrophobicContact CD1-CB 3.98Å; I591-A599 HydrophobicContact CG2-CB 4.21Å; L595-A599 WeakPolarHBondContact O-CB 3.28Å; L595-A599 PolarHBondContact O-N 2.87Å; D597-A599 VanDerWaalsContact C-N 3.27Å; D597-A599 PolarHBondContact O-N 2.91Å; A599-Q602 PolarHBondContact O-N 2.77Å; A599-L603 WeakPolarHBondContact O-CB 3.36Å; A599-L603 VanDerWaalsContact O-CG 3.28Å; A599-L603 WeakPolarHBondContact O-CG 3.3Å; A599-L603 PolarHBondContact O-N 2.96Å; A599-W723 HydrophobicContact CB-CH2 4.03Å; A599-W723 HydrophobicContact CB-CZ3 3.96Å; A599-L727 HydrophobicContact CB-CD2 3.79Å |
| 600 | R | 93.4 | Very high | 90.6 | Very high | 28 Ų | 28 | 28.9 Ų | 28.9 | 11% | 0.106 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.1 | -43.5 | 179.6 | -66.7 | 178 | -50.5 | -130.4 | 12.7 | 112.3 | I591 A596 D597 Q602 L603 L604 I646 L647 D648 | I591-R600 HydrophobicContact CB-CG 4.25Å; I591-R600 HydrophobicContact CD1-CG 4.05Å; I591-R600 HydrophobicContact CG1-CG 4.3Å; I591-R600 PolarHBondContact O-NH1 3.01Å; I591-R600 VanDerWaalsContact O-NH1 3.12Å; A596-R600 VanDerWaalsContact O-CG 3.27Å; A596-R600 WeakPolarHBondContact O-CG 3.09Å; A596-R600 PolarHBondContact O-N 3.25Å; A596-R600 VanDerWaalsContact O-N 3.13Å; A596-R600 PolarHBondContact O-NE 3.06Å; D597-R600 PolarHBondContact O-N 2.79Å; R600-Q602 VanDerWaalsContact C-N 3.27Å; R600-Q602 PolarHBondContact O-N 3.38Å; R600-L603 PolarHBondContact O-N 3.25Å; R600-L604 WeakPolarHBondContact O-CB 3.13Å; R600-L604 WeakPolarHBondContact O-CG 3.2Å; R600-L604 PolarHBondContact O-N 2.67Å; R600-I646 HydrophobicContact CB-CG2 3.7Å; R600-I646 HydrophobicContact CG-CG2 3.57Å; R600-L647 WeakPolarHBondContact CD-O 3.38Å; R600-D648 IonicContact CZ-OD1 3.39Å; R600-D648 IonicContact CZ-OD2 2.69Å; R600-D648 IonicContact NH1-OD1 3.62Å; R600-D648 PolarHBondContact NH1-OD1 2.85Å; R600-D648 IonicContact NH2-OD1 3.86Å; R600-D648 PolarHBondContact NH2-OD1 2.65Å; R600-D648 IonicContact NH2-OD2 2.98Å; R600-D648 PolarHBondContact NH2-OD2 2.98Å |
| 601 | E | 89.7 | Confident | 90.4 | Very high | 87 Ų | 87 | 29 Ų | 29 | 41% | 0.407 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -54 | -46.2 | 173.1 | -74.1 | 167.1 | -148.6 | 0 | 0 | 110.6 | D597 R605 | D597-E601 WeakPolarHBondContact O-CB 3.32Å; D597-E601 VanDerWaalsContact O-CG 3.3Å; D597-E601 WeakPolarHBondContact O-CG 3.29Å; D597-E601 PolarHBondContact O-N 3.11Å; E601-R605 WeakPolarHBondContact O-CB 3.09Å; E601-R605 PolarHBondContact O-N 2.95Å |
| 602 | Q | 90.8 | Very high | 90.2 | Very high | 23 Ų | 23 | 31.1 Ų | 31.1 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.4 | -38 | -179.3 | -172.9 | 168 | -2.2 | 0 | 0 | 113.5 | I598 A599 R600 D606 F724 | I598-Q602 VanDerWaalsContact O-CB 3.27Å; I598-Q602 WeakPolarHBondContact O-CB 3.43Å; I598-Q602 PolarHBondContact O-N 2.71Å; A599-Q602 PolarHBondContact O-N 2.77Å; R600-Q602 VanDerWaalsContact C-N 3.27Å; R600-Q602 PolarHBondContact O-N 3.38Å; Q602-D606 HydrophobicContact CG-CB 4.45Å; Q602-D606 PolarHBondContact NE2-OD2 3.18Å; Q602-D606 VanDerWaalsContact NE2-OD2 3.16Å; Q602-D606 VanDerWaalsContact O-CB 3.23Å; Q602-D606 WeakPolarHBondContact O-CB 3.48Å; Q602-D606 PolarHBondContact O-N 2.96Å; Q602-F724 HydrophobicContact CB-CD2 4.39Å; Q602-F724 HydrophobicContact CB-CE1 4.46Å; Q602-F724 HydrophobicContact CB-CE2 3.68Å; Q602-F724 HydrophobicContact CB-CZ 3.73Å; Q602-F724 HydrophobicContact CG-CD1 4.24Å; Q602-F724 HydrophobicContact CG-CD2 4.34Å; Q602-F724 HydrophobicContact CG-CE1 3.65Å; Q602-F724 HydrophobicContact CG-CE2 3.77Å; Q602-F724 HydrophobicContact CG-CZ 3.4Å |
| 603 | L | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 175 | -72.9 | 168.7 | 0 | 0 | 0 | 111.7 | I591 A599 R600 F607 F611 I646 F724 L727 R728 I731 | I591-L603 HydrophobicContact CD1-CD1 3.61Å; A599-L603 WeakPolarHBondContact O-CB 3.36Å; A599-L603 VanDerWaalsContact O-CG 3.28Å; A599-L603 WeakPolarHBondContact O-CG 3.3Å; A599-L603 PolarHBondContact O-N 2.96Å; R600-L603 PolarHBondContact O-N 3.25Å; L603-F607 CarbonylContact O-C 3.57Å; L603-F607 WeakPolarHBondContact O-CA 3.17Å; L603-F607 WeakPolarHBondContact O-CB 3.33Å; L603-F607 PolarHBondContact O-N 2.71Å; L603-F607 VanDerWaalsContact O-N 3.07Å; L603-F611 HydrophobicContact CB-CD2 4.16Å; L603-F611 HydrophobicContact CB-CE2 4.42Å; L603-F611 HydrophobicContact CB-CG 4.32Å; L603-F611 HydrophobicContact CD2-CD2 4.25Å; L603-F611 HydrophobicContact CD2-CE2 3.67Å; L603-F611 HydrophobicContact CD2-CZ 3.88Å; L603-I646 HydrophobicContact CB-CD1 4.3Å; L603-I646 HydrophobicContact CD1-CD1 3.94Å; L603-F724 HydrophobicContact CD2-CE2 4.14Å; L603-F724 HydrophobicContact CD2-CZ 3.65Å; L603-F724 HydrophobicContact CG-CE2 3.92Å; L603-F724 HydrophobicContact CG-CZ 3.78Å; L603-L727 HydrophobicContact CD1-CD2 4.25Å; L603-R728 HydrophobicContact CD2-CG 3.93Å; L603-I731 HydrophobicContact CD1-CD1 3.88Å; L603-I731 HydrophobicContact CD2-CD1 4.45Å |
| 604 | L | 91.2 | Very high | 89.5 | Confident | 55 Ų | 55 | 32.2 Ų | 32.2 | 29% | 0.288 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67 | -39 | 178.9 | -70.1 | 170 | 0 | 0 | 0 | 112.4 | R600 F611 I646 | R600-L604 WeakPolarHBondContact O-CB 3.13Å; R600-L604 WeakPolarHBondContact O-CG 3.2Å; R600-L604 PolarHBondContact O-N 2.67Å; L604-F611 HydrophobicContact CD2-CB 4.27Å; L604-I646 HydrophobicContact CD1-CB 4.4Å; L604-I646 HydrophobicContact CD1-CG2 4.18Å; L604-I646 HydrophobicContact CD2-CB 4.04Å; L604-I646 HydrophobicContact CD2-CG1 3.82Å; L604-I646 HydrophobicContact CG-CB 4.26Å; L604-I646 HydrophobicContact CG-CG1 4.08Å; L604-I646 HydrophobicContact CG-CG2 4.35Å |
| 605 | R | 88.8 | Confident | 88.5 | Confident | 155 Ų | 155 | 34.5 Ų | 34.5 | 59% | 0.585 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -77.4 | -46.6 | -178.9 | -175.1 | -167.2 | 68.5 | -144.8 | -2.2 | 113.3 | E601 | E601-R605 WeakPolarHBondContact O-CB 3.09Å; E601-R605 PolarHBondContact O-N 2.95Å |
| 606 | D | 88 | Confident | 86.6 | Confident | 36 Ų | 36 | 40.8 Ų | 40.8 | 19% | 0.193 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -86.1 | -23.9 | -172.8 | -67.5 | 17.4 | 0 | 0 | 0 | 112.5 | Q602 P608 R859 | Q602-D606 HydrophobicContact CG-CB 4.45Å; Q602-D606 PolarHBondContact NE2-OD2 3.18Å; Q602-D606 VanDerWaalsContact NE2-OD2 3.16Å; Q602-D606 VanDerWaalsContact O-CB 3.23Å; Q602-D606 WeakPolarHBondContact O-CB 3.48Å; Q602-D606 PolarHBondContact O-N 2.96Å; D606-P608 VanDerWaalsContact C-CD 3.45Å; D606-R859 IonicContact OD2-CZ 3.8Å; D606-R859 IonicContact OD2-NH2 3.67Å; D606-R859 PolarHBondContact OD2-NH2 3.17Å |
| 607 | F | 88.9 | Confident | 84.3 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 4% | 0.044 | 24% | 0.243 | C | C | . | . | trans | -132.5 | 47.7 | -174.3 | -58.8 | -83.5 | 0 | 0 | 0 | 114.3 | L603 L609 A610 F611 F724 M857 R859 | L603-F607 CarbonylContact O-C 3.57Å; L603-F607 WeakPolarHBondContact O-CA 3.17Å; L603-F607 WeakPolarHBondContact O-CB 3.33Å; L603-F607 PolarHBondContact O-N 2.71Å; L603-F607 VanDerWaalsContact O-N 3.07Å; F607-L609 PolarHBondContact O-N 2.78Å; F607-A610 PolarHBondContact O-N 3.33Å; F607-F611 HydrophobicContact CB-CD2 3.71Å; F607-F611 HydrophobicContact CB-CE2 4.01Å; F607-F611 PolarHBondContact O-N 2.9Å; F607-F611 VanDerWaalsContact O-N 3.15Å; F607-F724 HydrophobicContact CE2-CE1 4.07Å; F607-M857 WeakPolarHBondContact CE1-O 3.42Å; F607-R859 HydrophobicContact CE1-CG 3.76Å; F607-R859 HydrophobicContact CZ-CG 3.78Å | ||
| 608 | P | 87.4 | Confident | 81.8 | Confident | 71 Ų | 71 | 53 Ų | 53 | 46% | 0.461 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -3.9 | -175.9 | 29.9 | -38.2 | 0 | 0 | 0 | 114.9 | D606 K643 | D606-P608 VanDerWaalsContact C-CD 3.45Å; P608-K643 PolarHBondContact O-NZ 3.46Å |
| 609 | L | 83.9 | Confident | 79.2 | Confident | 102 Ų | 102 | 58.6 Ų | 58.6 | 53% | 0.534 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -37.9 | 170.4 | -65.1 | -179.5 | 0 | 0 | 0 | 112 | F607 K643 T856 | F607-L609 PolarHBondContact O-N 2.78Å; L609-K643 WeakPolarHBondContact O-CD 3.39Å; L609-K643 WeakPolarHBondContact O-CE 3.45Å; L609-K643 WeakPolarHBondContact O-CG 3.45Å; L609-T856 HydrophobicContact CB-CG2 3.87Å |
| 610 | A | 85.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -29 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F607 K643 H644 M857 | F607-A610 PolarHBondContact O-N 3.33Å; A610-K643 WeakPolarHBondContact O-CA 3.26Å; A610-H644 PolarHBondContact O-N 2.94Å; A610-M857 HydrophobicContact CB-CG 4.18Å; A610-M857 HydrophobicContact CB-SD 3.69Å |
| 611 | F | 92.7 | Very high | 73.6 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.009 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 151.2 | -171.2 | -61.3 | -75.5 | 0 | 0 | 0 | 113.3 | V589 L603 L604 F607 H644 I646 I731 M857 | V589-F611 HydrophobicContact CG2-CE1 4.46Å; L603-F611 HydrophobicContact CB-CD2 4.16Å; L603-F611 HydrophobicContact CB-CE2 4.42Å; L603-F611 HydrophobicContact CB-CG 4.32Å; L603-F611 HydrophobicContact CD2-CD2 4.25Å; L603-F611 HydrophobicContact CD2-CE2 3.67Å; L603-F611 HydrophobicContact CD2-CZ 3.88Å; L604-F611 HydrophobicContact CD2-CB 4.27Å; F607-F611 HydrophobicContact CB-CD2 3.71Å; F607-F611 HydrophobicContact CB-CE2 4.01Å; F607-F611 PolarHBondContact O-N 2.9Å; F607-F611 VanDerWaalsContact O-N 3.15Å; F611-H644 WeakPolarHBondContact CA-O 3.35Å; F611-H644 HydrophobicContact CD1-CB 3.47Å; F611-H644 VanDerWaalsContact CD1-CB 3.47Å; F611-H644 HydrophobicContact CE1-CB 3.65Å; F611-H644 AromaticContact CE1-CD2 3.57Å; F611-H644 AromaticContact CE1-CG 3.91Å; F611-I646 HydrophobicContact CB-CD1 4.37Å; F611-I646 HydrophobicContact CB-CG1 3.91Å; F611-I646 HydrophobicContact CD1-CD1 3.34Å; F611-I646 HydrophobicContact CD1-CG1 3.81Å; F611-I646 HydrophobicContact CE1-CD1 3.91Å; F611-I646 HydrophobicContact CG-CD1 4.06Å; F611-I646 HydrophobicContact CG-CG1 4.15Å; F611-I731 HydrophobicContact CE1-CD1 4.37Å; F611-I731 HydrophobicContact CE1-CG2 4.2Å; F611-I731 HydrophobicContact CZ-CD1 4.28Å; F611-I731 HydrophobicContact CZ-CG2 4.24Å; F611-M857 HydrophobicContact CE2-CE 4.11Å; F611-M857 HydrophobicContact CE2-SD 3.45Å; F611-M857 WeakPolarHBondContact CE2-SD 3.22Å; F611-M857 HydrophobicContact CZ-CE 3.84Å; F611-M857 HydrophobicContact CZ-SD 3.71Å |
| 612 | S | 92.1 | Very high | 71.1 | Confident | 44 Ų | 44 | 69.1 Ų | 69.1 | 31% | 0.308 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 160.3 | 166.9 | -158.2 | 0 | 0 | 0 | 0 | 110.9 | H644 C645 I646 | S612-H644 PolarHBondContact N-O 3.18Å; S612-C645 CarbonylContact O-C 3.56Å; S612-C645 WeakPolarHBondContact O-CA 3.5Å; S612-I646 PolarHBondContact O-N 3.48Å |
| 613 | S | 88.5 | Confident | 68.6 | Low | 32 Ų | 32 | 77.4 Ų | 77.4 | 22% | 0.224 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 144.1 | 177.4 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | Q615 | S613-Q615 VanDerWaalsContact C-N 3.34Å; S613-Q615 WeakPolarHBondContact OG-CB 3.08Å; S613-Q615 PolarHBondContact OG-N 3.07Å; S613-Q615 PolarHBondContact OG-O 2.94Å |
| 614 | A | 80.7 | Confident | 65.8 | Low | 11 Ų | 11 | 84.2 Ų | 84.2 | 9% | 0.091 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -83.1 | -12.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I616 V630 A634 I635 C645 L647 | A614-I616 PolarHBondContact O-N 2.78Å; A614-V630 HydrophobicContact CB-CG1 3.7Å; A614-A634 HydrophobicContact CB-CB 3.9Å; A614-I635 HydrophobicContact CB-CG1 3.96Å; A614-C645 VanDerWaalsContact CB-SG 3.53Å; A614-L647 HydrophobicContact CB-CD2 4.15Å |
| 615 | Q | 68.1 | Low | 62.9 | Low | 50 Ų | 50 | 86 Ų | 86 | 23% | 0.234 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -86.4 | 102.1 | 172.4 | -65.1 | 170.4 | -43.6 | 0 | 0 | 108.2 | S613 G628 V630 | S613-Q615 VanDerWaalsContact C-N 3.34Å; S613-Q615 WeakPolarHBondContact OG-CB 3.08Å; S613-Q615 PolarHBondContact OG-N 3.07Å; S613-Q615 PolarHBondContact OG-O 2.94Å; Q615-G628 PolarHBondContact NE2-O 3Å; Q615-V630 HydrophobicContact CG-CG2 3.42Å; Q615-V630 VanDerWaalsContact CG-CG2 3.42Å |
| 616 | I | 51.6 | Low | 60.3 | Low | 131 Ų | 131 | 82.6 Ų | 82.6 | 67% | 0.672 | 49% | 0.485 | S | S | * | . | trans | -80.5 | 118.5 | 179 | -59.4 | 174.9 | 0 | 0 | 0 | 108.8 | A614 N618 | A614-I616 PolarHBondContact O-N 2.78Å; I616-N618 PolarHBondContact O-N 3.34Å | ||
| 617 | E | 44.8 | Very low | 58.5 | Low | 167 Ų | 167 | 84.7 Ų | 84.7 | 78% | 0.78 | 50% | 0.503 | S | S | * | . | trans | -73.9 | 109.4 | 160.9 | -66.6 | -171.5 | 146.1 | 0 | 0 | 108.3 | T619 | E617-T619 VanDerWaalsContact C-N 3.3Å; E617-T619 PolarHBondContact O-N 2.89Å | ||
| 618 | N | 36.3 | Very low | 57.1 | Low | 104 Ų | 104 | 84.9 Ų | 84.9 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | trans | -71.1 | 85.6 | 174.8 | -77.9 | -13.7 | 0 | 0 | 0 | 109.9 | I616 N620 | I616-N618 PolarHBondContact O-N 3.34Å; N618-N620 PolarHBondContact O-N 2.87Å | ||
| 619 | T | 34.7 | Very low | 56.6 | Low | 123 Ų | 123 | 84.2 Ų | 84.2 | 76% | 0.755 | 50% | 0.5 | S | S | * | . | trans | -72 | 16.5 | -179.8 | 43.1 | 0 | 0 | 0 | 0 | 114.8 | E617 | E617-T619 VanDerWaalsContact C-N 3.3Å; E617-T619 PolarHBondContact O-N 2.89Å | ||
| 620 | N | 35.5 | Very low | 56.5 | Low | 136 Ų | 136 | 79.5 Ų | 79.5 | 73% | 0.727 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -117.3 | 67.2 | -178.8 | -77.1 | -15.6 | 0 | 0 | 0 | 112.7 | N618 T622 | N618-N620 PolarHBondContact O-N 2.87Å; N620-T622 VanDerWaalsContact C-N 3.28Å; N620-T622 PolarHBondContact O-N 3.23Å; N620-T622 PolarHBondContact O-OG1 3.17Å |
| 621 | G | 33 | Very low | 56.5 | Low | 85 Ų | 85 | 86 Ų | 86 | 88% | 0.876 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 56.5 | 13.6 | 142 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||
| 622 | T | 38 | Very low | 56.2 | Low | 114 Ų | 114 | 86.1 Ų | 86.1 | 70% | 0.699 | 50% | 0.5 | S | S | * | . | trans | -129.3 | 138.6 | -176.6 | 43.5 | 0 | 0 | 0 | 0 | 111.4 | N620 N624 | N620-T622 VanDerWaalsContact C-N 3.28Å; N620-T622 PolarHBondContact O-N 3.23Å; N620-T622 PolarHBondContact O-OG1 3.17Å; T622-N624 PolarHBondContact O-N 3.05Å | ||
| 623 | E | 38.4 | Very low | 55.8 | Low | 197 Ų | 197 | 85.9 Ų | 85.9 | 92% | 0.921 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -75.9 | 0.4 | -156.2 | -55.6 | -170.4 | 127 | 0 | 0 | 115.4 | A625 | E623-A625 VanDerWaalsContact C-N 3.26Å; E623-A625 PolarHBondContact O-N 2.83Å |
| 624 | N | 32.7 | Very low | 55.8 | Low | 144 Ų | 144 | 85.8 Ų | 85.8 | 77% | 0.77 | 50% | 0.502 | S | S | * | . | trans | -78.4 | 73.2 | 175.5 | -72.7 | -34 | 0 | 0 | 0 | 111.3 | T622 S626 | T622-N624 PolarHBondContact O-N 3.05Å; N624-S626 PolarHBondContact O-N 3.17Å | ||
| 625 | A | 30.6 | Very low | 56.3 | Low | 91 Ų | 91 | 85.2 Ų | 85.2 | 75% | 0.752 | 50% | 0.498 | S | S | * | . | trans | -67.4 | 78.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | E623 S627 | E623-A625 VanDerWaalsContact C-N 3.26Å; E623-A625 PolarHBondContact O-N 2.83Å; A625-S627 PolarHBondContact O-N 3.44Å | ||
| 626 | S | 34.3 | Very low | 57.2 | Low | 84 Ų | 84 | 86.3 Ų | 86.3 | 59% | 0.587 | 50% | 0.5 | S | S | * | . | trans | -50.2 | 126.3 | 177.5 | 52.1 | 0 | 0 | 0 | 0 | 110.4 | N624 | N624-S626 PolarHBondContact O-N 3.17Š| ||
| 627 | S | 49.8 | Very low | 59 | Low | 81 Ų | 81 | 84.2 Ų | 84.2 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | trans | -45.4 | 137.7 | -175.1 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | A625 I629 | A625-S627 PolarHBondContact O-N 3.44Å; S627-I629 PolarHBondContact O-N 3.29Å | ||
| 628 | G | 61.4 | Low | 61.1 | Low | 14 Ų | 14 | 76.7 Ų | 76.7 | 14% | 0.144 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -64.8 | 13.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q615 P757 | Q615-G628 PolarHBondContact NE2-O 3Å; G628-P757 WeakPolarHBondContact O-CB 3.48Å; G628-P757 WeakPolarHBondContact O-CG 3.18Å |
| 629 | I | 75.5 | Confident | 63.6 | Low | 56 Ų | 56 | 73.2 Ų | 73.2 | 29% | 0.287 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -57 | 132 | 167.9 | -62.5 | 176.1 | 0 | 0 | 0 | 109.1 | S627 F754 L755 | S627-I629 PolarHBondContact O-N 3.29Å; I629-F754 HydrophobicContact CG2-CB 3.67Å; I629-F754 HydrophobicContact CG2-CD1 3.53Å; I629-F754 HydrophobicContact CG2-CG 3.92Å; I629-L755 WeakPolarHBondContact CA-O 3.46Å |
| 630 | V | 82.2 | Confident | 66.2 | Low | 3 Ų | 3 | 75.1 Ų | 75.1 | 2% | 0.018 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135.7 | 176 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | A614 Q615 I635 L647 I649 L755 | A614-V630 HydrophobicContact CB-CG1 3.7Å; Q615-V630 HydrophobicContact CG-CG2 3.42Å; Q615-V630 VanDerWaalsContact CG-CG2 3.42Å; V630-I635 HydrophobicContact CG1-CD1 3.74Å; V630-I635 HydrophobicContact CG1-CG1 3.67Å; V630-L647 HydrophobicContact CG1-CD2 4.09Å; V630-L647 HydrophobicContact CG2-CD2 4.35Å; V630-I649 HydrophobicContact CG2-CG2 4.3Å; V630-L755 HydrophobicContact CB-CB 4.19Å; V630-L755 PolarHBondContact N-O 3.04Å; V630-L755 WeakPolarHBondContact O-CB 3.25Å; V630-L755 PolarHBondContact O-N 3.16Å |
| 631 | R | 85.4 | Confident | 68.7 | Low | 138 Ų | 138 | 75.6 Ų | 75.6 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 147.3 | 172 | -58.3 | -173.1 | -172.4 | -160.7 | 1.3 | 110.3 | A633 A634 I635 F754 | R631-A633 PolarHBondContact O-N 2.95Å; R631-A634 WeakPolarHBondContact O-CB 3.32Å; R631-A634 PolarHBondContact O-N 2.8Å; R631-I635 PolarHBondContact O-N 3.17Å; R631-F754 HydrophobicContact CG-CD1 4.27Å; R631-F754 HydrophobicContact CG-CE1 4.27Å |
| 632 | L | 86.5 | Confident | 71.3 | Confident | 4 Ų | 4 | 74.8 Ų | 74.8 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.3 | -34 | 178.5 | -60.9 | -165.2 | 0 | 0 | 0 | 112.9 | A634 I635 R636 L657 A660 Y662 L750 L755 | L632-A634 VanDerWaalsContact C-N 3.31Å; L632-A634 PolarHBondContact O-N 2.9Å; L632-I635 HydrophobicContact CD2-CD1 4.38Å; L632-I635 PolarHBondContact O-N 3.23Å; L632-R636 PolarHBondContact O-N 3.37Å; L632-L657 HydrophobicContact CD2-CD2 3.69Å; L632-A660 HydrophobicContact CD1-CB 4.2Å; L632-Y662 HydrophobicContact CD1-CE2 4.08Å; L632-Y662 HydrophobicContact CD2-CE2 4.47Å; L632-L750 HydrophobicContact CD1-CB 3.95Å; L632-L750 WeakPolarHBondContact CD1-O 3.44Å; L632-L755 HydrophobicContact CD2-CD1 3.88Å; L632-L755 HydrophobicContact CD2-CD2 4.23Å; L632-L755 HydrophobicContact CD2-CG 4.15Å |
| 633 | A | 84.1 | Confident | 73.8 | Confident | 38 Ų | 38 | 71.8 Ų | 71.8 | 31% | 0.314 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.7 | -39.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R631 N637 | R631-A633 PolarHBondContact O-N 2.95Å; A633-N637 WeakPolarHBondContact O-CB 3.37Å; A633-N637 PolarHBondContact O-N 3.39Å; A633-N637 PolarHBondContact O-ND2 3.23Å |
| 634 | A | 88 | Confident | 76.5 | Confident | 30 Ų | 30 | 62.4 Ų | 62.4 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.3 | -36.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A614 R631 L632 N637 V638 | A614-A634 HydrophobicContact CB-CB 3.9Å; R631-A634 WeakPolarHBondContact O-CB 3.32Å; R631-A634 PolarHBondContact O-N 2.8Å; L632-A634 VanDerWaalsContact C-N 3.31Å; L632-A634 PolarHBondContact O-N 2.9Å; A634-N637 PolarHBondContact O-N 3.41Å; A634-V638 PolarHBondContact O-N 2.8Å |
| 635 | I | 90.6 | Very high | 79.4 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -47.4 | 175.9 | -61.1 | 174.5 | 0 | 0 | 0 | 110.3 | P588 A614 V630 R631 L632 N637 V638 M639 C645 L647 L657 Y662 L755 | P588-I635 HydrophobicContact CB-CG2 4.39Å; P588-I635 HydrophobicContact CG-CG2 3.72Å; A614-I635 HydrophobicContact CB-CG1 3.96Å; V630-I635 HydrophobicContact CG1-CD1 3.74Å; V630-I635 HydrophobicContact CG1-CG1 3.67Å; R631-I635 PolarHBondContact O-N 3.17Å; L632-I635 HydrophobicContact CD2-CD1 4.38Å; L632-I635 PolarHBondContact O-N 3.23Å; I635-N637 VanDerWaalsContact C-N 3.25Å; I635-N637 PolarHBondContact O-N 3.25Å; I635-V638 PolarHBondContact O-N 2.85Å; I635-M639 HydrophobicContact CG2-CG 4.48Å; I635-M639 HydrophobicContact CG2-SD 3.81Å; I635-M639 WeakPolarHBondContact O-CG 3.2Å; I635-M639 PolarHBondContact O-N 2.83Å; I635-C645 HydrophobicContact CG2-CB 4.14Å; I635-L647 HydrophobicContact CD1-CD1 3.77Å; I635-L647 HydrophobicContact CD1-CD2 4.15Å; I635-L647 HydrophobicContact CG1-CD1 4.39Å; I635-L647 HydrophobicContact CG1-CD2 4.19Å; I635-L657 HydrophobicContact CD1-CD1 4.42Å; I635-L657 HydrophobicContact CD1-CD2 3.83Å; I635-Y662 HydrophobicContact CB-CE1 4.49Å; I635-Y662 HydrophobicContact CG2-CD1 3.96Å; I635-Y662 HydrophobicContact CG2-CE1 4Å; I635-L755 HydrophobicContact CD1-CD1 3.62Å |
| 636 | R | 88.2 | Confident | 82.5 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 28% | 0.275 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.5 | -40.4 | 173.2 | -71.2 | -178.2 | -70.4 | 174.2 | 3.2 | 112.1 | L632 V638 M639 K640 Y662 D751 | L632-R636 PolarHBondContact O-N 3.37Å; R636-V638 VanDerWaalsContact C-N 3.26Å; R636-V638 PolarHBondContact O-N 3.46Å; R636-M639 PolarHBondContact O-N 2.8Å; R636-K640 WeakPolarHBondContact O-CB 3.43Å; R636-K640 WeakPolarHBondContact O-CG 3.36Å; R636-K640 PolarHBondContact O-N 3.35Å; R636-Y662 WeakPolarHBondContact CD-OH 3.47Å; R636-Y662 HydrophobicContact CG-CE1 3.85Å; R636-Y662 WeakPolarHBondContact CG-OH 3.44Å; R636-D751 VanDerWaalsContact CZ-CG 3.42Å; R636-D751 IonicContact CZ-OD1 3.32Å; R636-D751 IonicContact CZ-OD2 3.61Å; R636-D751 IonicContact NE-OD1 3.52Å; R636-D751 VanDerWaalsContact NH1-CG 3.27Å; R636-D751 IonicContact NH1-OD1 3.59Å; R636-D751 PolarHBondContact NH1-OD1 2.92Å; R636-D751 IonicContact NH1-OD2 3.95Å; R636-D751 PolarHBondContact NH1-OD2 2.71Å; R636-D751 IonicContact NH2-OD1 3Å; R636-D751 PolarHBondContact NH2-OD1 2.87Å; R636-D751 IonicContact NH2-OD2 2.71Å; R636-D751 PolarHBondContact NH2-OD2 2.83Å |
| 637 | N | 88.8 | Confident | 85.4 | Confident | 87 Ų | 87 | 47.4 Ų | 47.4 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.8 | -16.2 | 178.2 | -72 | -15.3 | 0 | 0 | 0 | 114.3 | A633 A634 I635 K641 | A633-N637 WeakPolarHBondContact O-CB 3.37Å; A633-N637 PolarHBondContact O-N 3.39Å; A633-N637 PolarHBondContact O-ND2 3.23Å; A634-N637 PolarHBondContact O-N 3.41Å; I635-N637 VanDerWaalsContact C-N 3.25Å; I635-N637 PolarHBondContact O-N 3.25Å; N637-K641 VanDerWaalsContact O-CD 3.28Å; N637-K641 WeakPolarHBondContact O-CD 3.47Å; N637-K641 WeakPolarHBondContact O-CE 3.33Å; N637-K641 WeakPolarHBondContact O-CG 3.27Å |
| 638 | V | 89.9 | Confident | 87.4 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -84.4 | -46 | 167.1 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | A634 I635 R636 K640 K641 K643 C645 | A634-V638 PolarHBondContact O-N 2.8Å; I635-V638 PolarHBondContact O-N 2.85Å; R636-V638 VanDerWaalsContact C-N 3.26Å; R636-V638 PolarHBondContact O-N 3.46Å; V638-K640 PolarHBondContact O-N 3.13Å; V638-K641 WeakPolarHBondContact O-CB 3.34Å; V638-K641 PolarHBondContact O-N 3.43Å; V638-K643 HydrophobicContact CG1-CB 4.05Å; V638-C645 HydrophobicContact CB-CB 4Å; V638-C645 HydrophobicContact CG1-CB 3.74Å |
| 639 | M | 88.8 | Confident | 88.7 | Confident | 31 Ų | 31 | 43.7 Ų | 43.7 | 15% | 0.153 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 179.5 | -64.9 | 165.3 | 65.8 | 0 | 0 | 112.2 | F585 P588 I635 R636 K641 N642 Y662 | F585-M639 HydrophobicContact CB-CE 4.08Å; F585-M639 HydrophobicContact CD1-CE 4.34Å; F585-M639 HydrophobicContact CD2-CE 3.3Å; F585-M639 HydrophobicContact CE2-CE 3.76Å; F585-M639 HydrophobicContact CG-CE 3.65Å; F585-M639 HydrophobicContact CZ-CE 4.44Å; P588-M639 HydrophobicContact CG-SD 4.2Å; I635-M639 HydrophobicContact CG2-CG 4.48Å; I635-M639 HydrophobicContact CG2-SD 3.81Å; I635-M639 WeakPolarHBondContact O-CG 3.2Å; I635-M639 PolarHBondContact O-N 2.83Å; R636-M639 PolarHBondContact O-N 2.8Å; M639-K641 PolarHBondContact O-N 3.08Å; M639-K641 VanDerWaalsContact O-N 3.11Å; M639-N642 WeakPolarHBondContact O-CA 3.1Å; M639-N642 PolarHBondContact O-N 2.81Å; M639-Y662 HydrophobicContact CE-CD1 4.09Å; M639-Y662 HydrophobicContact CE-CE1 4.47Å; M639-Y662 HydrophobicContact SD-CD1 3.57Å; M639-Y662 VanDerWaalsContact SD-CD1 3.57Å; M639-Y662 HydrophobicContact SD-CE1 3.77Å |
| 640 | K | 88.3 | Confident | 89.5 | Confident | 163 Ų | 163 | 41.1 Ų | 41.1 | 71% | 0.709 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.3 | 173.6 | -77.9 | -178.6 | 175.5 | -173.8 | 0 | 114.2 | R636 V638 N642 | R636-K640 WeakPolarHBondContact O-CB 3.43Å; R636-K640 WeakPolarHBondContact O-CG 3.36Å; R636-K640 PolarHBondContact O-N 3.35Å; V638-K640 PolarHBondContact O-N 3.13Å; K640-N642 VanDerWaalsContact C-N 3.26Å |
| 641 | K | 88.3 | Confident | 89.8 | Confident | 147 Ų | 147 | 41 Ų | 41 | 64% | 0.639 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 13 | 175.4 | -62.5 | 171 | -175 | 173.7 | 0 | 112.5 | N637 V638 M639 | N637-K641 VanDerWaalsContact O-CD 3.28Å; N637-K641 WeakPolarHBondContact O-CD 3.47Å; N637-K641 WeakPolarHBondContact O-CE 3.33Å; N637-K641 WeakPolarHBondContact O-CG 3.27Å; V638-K641 WeakPolarHBondContact O-CB 3.34Å; V638-K641 PolarHBondContact O-N 3.43Å; M639-K641 PolarHBondContact O-N 3.08Å; M639-K641 VanDerWaalsContact O-N 3.11Å |
| 642 | N | 88.1 | Confident | 89.8 | Confident | 68 Ų | 68 | 34.8 Ų | 34.8 | 36% | 0.364 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 55.8 | -170.8 | -160.5 | 23 | 0 | 0 | 0 | 113.3 | L586 M639 K640 C849 | L586-N642 WeakPolarHBondContact CD1-O 3.3Å; L586-N642 VanDerWaalsContact CD1-OD1 3.28Å; L586-N642 WeakPolarHBondContact CD1-OD1 3.43Å; L586-N642 WeakPolarHBondContact CG-OD1 3.34Å; M639-N642 WeakPolarHBondContact O-CA 3.1Å; M639-N642 PolarHBondContact O-N 2.81Å; K640-N642 VanDerWaalsContact C-N 3.26Å; N642-C849 PolarHBondContact ND2-SG 2.82Å; N642-C849 PolarHBondContact OD1-SG 3.24Å |
| 643 | K | 90.2 | Very high | 89.9 | Confident | 50 Ų | 50 | 34.7 Ų | 34.7 | 22% | 0.217 | 17% | 0.173 | C | C | . | . | trans | -135.4 | 148.6 | 175.8 | -61.7 | -169.3 | -175.5 | -171.9 | 0 | 112.2 | P608 L609 A610 V638 C645 | P608-K643 PolarHBondContact O-NZ 3.46Å; L609-K643 WeakPolarHBondContact O-CD 3.39Å; L609-K643 WeakPolarHBondContact O-CE 3.45Å; L609-K643 WeakPolarHBondContact O-CG 3.45Å; A610-K643 WeakPolarHBondContact O-CA 3.26Å; V638-K643 HydrophobicContact CG1-CB 4.05Å; K643-C645 PolarHBondContact O-N 2.99Å | ||
| 644 | H | 93.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 128.8 | 163.9 | -74.1 | -59.7 | 0 | 0 | 0 | 110.2 | R587 V589 A610 F611 S612 I646 Q735 H853 | R587-H644 PolarHBondContact O-ND1 3.34Å; V589-H644 HydrophobicContact CG2-CB 3.89Å; A610-H644 PolarHBondContact O-N 2.94Å; F611-H644 WeakPolarHBondContact CA-O 3.35Å; F611-H644 HydrophobicContact CD1-CB 3.47Å; F611-H644 VanDerWaalsContact CD1-CB 3.47Å; F611-H644 HydrophobicContact CE1-CB 3.65Å; F611-H644 AromaticContact CE1-CD2 3.57Å; F611-H644 AromaticContact CE1-CG 3.91Å; S612-H644 PolarHBondContact N-O 3.18Å; H644-I646 PolarHBondContact O-N 2.89Å; H644-Q735 PolarHBondContact CE1-OE1 2.94Å; H644-Q735 VanDerWaalsContact CE1-OE1 3.25Å; H644-H853 AromaticContact CD2-CE1 3.36Å; H644-H853 PolarHBondContact CD2-CE1 3.49Å; H644-H853 AromaticContact CD2-NE2 3.9Å; H644-H853 AromaticContact NE2-CE1 3.35Å; H644-H853 PolarHBondContact NE2-CE1 2.93Å; H644-H853 AromaticContact NE2-NE2 3.46Å; H644-H853 PolarHBondContact NE2-NE2 3.04Å |
| 645 | C | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 107.7 | 172.2 | -168.8 | 0 | 0 | 0 | 0 | 110.2 | P588 V589 S612 A614 I635 V638 K643 | P588-C645 CarbonylContact C-O 3.56Å; P588-C645 WeakPolarHBondContact CA-O 3.4Å; P588-C645 HydrophobicContact CB-CB 4.2Å; V589-C645 PolarHBondContact N-O 2.67Å; S612-C645 CarbonylContact O-C 3.56Å; S612-C645 WeakPolarHBondContact O-CA 3.5Å; A614-C645 VanDerWaalsContact CB-SG 3.53Å; I635-C645 HydrophobicContact CG2-CB 4.14Å; V638-C645 HydrophobicContact CB-CB 4Å; V638-C645 HydrophobicContact CG1-CB 3.74Å; K643-C645 PolarHBondContact O-N 2.99Å |
| 646 | I | 95.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 129.2 | 172.8 | -62.2 | -61.5 | 0 | 0 | 0 | 109 | V589 R600 L603 L604 F611 S612 H644 | V589-I646 HydrophobicContact CB-CD1 4.05Å; V589-I646 HydrophobicContact CG1-CD1 4.29Å; R600-I646 HydrophobicContact CB-CG2 3.7Å; R600-I646 HydrophobicContact CG-CG2 3.57Å; L603-I646 HydrophobicContact CB-CD1 4.3Å; L603-I646 HydrophobicContact CD1-CD1 3.94Å; L604-I646 HydrophobicContact CD1-CB 4.4Å; L604-I646 HydrophobicContact CD1-CG2 4.18Å; L604-I646 HydrophobicContact CD2-CB 4.04Å; L604-I646 HydrophobicContact CD2-CG1 3.82Å; L604-I646 HydrophobicContact CG-CB 4.26Å; L604-I646 HydrophobicContact CG-CG1 4.08Å; L604-I646 HydrophobicContact CG-CG2 4.35Å; F611-I646 HydrophobicContact CB-CD1 4.37Å; F611-I646 HydrophobicContact CB-CG1 3.91Å; F611-I646 HydrophobicContact CD1-CD1 3.34Å; F611-I646 HydrophobicContact CD1-CG1 3.81Å; F611-I646 HydrophobicContact CE1-CD1 3.91Å; F611-I646 HydrophobicContact CG-CD1 4.06Å; F611-I646 HydrophobicContact CG-CG1 4.15Å; S612-I646 PolarHBondContact O-N 3.48Å; H644-I646 PolarHBondContact O-N 2.89Å |
| 647 | L | 93.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 146.8 | -174.8 | -66.7 | 175.6 | 0 | 0 | 0 | 112.9 | P588 V589 V590 R600 A614 V630 I635 I649 L657 | P588-L647 HydrophobicContact CB-CD1 3.75Å; V589-L647 PolarHBondContact O-N 3.37Å; V590-L647 HydrophobicContact CG2-CB 4.09Å; R600-L647 WeakPolarHBondContact CD-O 3.38Å; A614-L647 HydrophobicContact CB-CD2 4.15Å; V630-L647 HydrophobicContact CG1-CD2 4.09Å; V630-L647 HydrophobicContact CG2-CD2 4.35Å; I635-L647 HydrophobicContact CD1-CD1 3.77Å; I635-L647 HydrophobicContact CD1-CD2 4.15Å; I635-L647 HydrophobicContact CG1-CD1 4.39Å; I635-L647 HydrophobicContact CG1-CD2 4.19Å; L647-I649 HydrophobicContact CB-CG1 4.35Å; L647-I649 HydrophobicContact CB-CG2 4.4Å; L647-I649 HydrophobicContact CD1-CD1 4.2Å; L647-L657 HydrophobicContact CD1-CD1 3.64Å |
| 648 | D | 91.5 | Very high | 90.1 | Very high | 17 Ų | 17 | 26.6 Ų | 26.6 | 9% | 0.091 | 12% | 0.124 | C | C | . | . | trans | -128.4 | 71.3 | 175.7 | -174 | 37.7 | 0 | 0 | 0 | 110.4 | R600 P757 M758 A759 | R600-D648 IonicContact CZ-OD1 3.39Å; R600-D648 IonicContact CZ-OD2 2.69Å; R600-D648 IonicContact NH1-OD1 3.62Å; R600-D648 PolarHBondContact NH1-OD1 2.85Å; R600-D648 IonicContact NH2-OD1 3.86Å; R600-D648 PolarHBondContact NH2-OD1 2.65Å; R600-D648 IonicContact NH2-OD2 2.98Å; R600-D648 PolarHBondContact NH2-OD2 2.98Å; D648-P757 CarbonylContact O-C 3.59Å; D648-P757 WeakPolarHBondContact O-CA 3.5Å; D648-M758 PolarHBondContact O-N 3.05Å; D648-M758 WeakPolarHBondContact OD1-CB 3.37Å; D648-A759 WeakPolarHBondContact OD2-CB 3.31Å | ||
| 649 | I | 90.6 | Very high | 90 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -121.6 | 157.7 | -167.9 | 60.6 | 172.1 | 0 | 0 | 0 | 112.6 | V590 Y592 V630 L647 V654 L657 L755 F756 M758 | V590-I649 HydrophobicContact CG2-CD1 4.26Å; V590-I649 HydrophobicContact CG2-CG1 4.26Å; Y592-I649 WeakPolarHBondContact CE1-O 3.07Å; Y592-I649 PolarHBondContact OH-O 3.48Å; V630-I649 HydrophobicContact CG2-CG2 4.3Å; L647-I649 HydrophobicContact CB-CG1 4.35Å; L647-I649 HydrophobicContact CB-CG2 4.4Å; L647-I649 HydrophobicContact CD1-CD1 4.2Å; I649-V654 HydrophobicContact CD1-CG2 3.99Å; I649-V654 HydrophobicContact CG1-CG2 4.02Å; I649-L657 HydrophobicContact CD1-CD1 3.54Å; I649-L657 HydrophobicContact CD1-CG 4.36Å; I649-L755 HydrophobicContact CD1-CD1 4.13Å; I649-L755 HydrophobicContact CG2-CB 4.23Å; I649-F756 CarbonylContact C-O 3.52Å; I649-F756 WeakPolarHBondContact CA-O 3.34Å; I649-M758 VanDerWaalsContact O-CG 3.24Å; I649-M758 WeakPolarHBondContact O-CG 3.2Å |
| 650 | T | 90.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | trans | -63.6 | 154 | 179.8 | 63.8 | 0 | 0 | 0 | 0 | 112.3 | I564 Y592 S652 S653 V654 F756 M758 | I564-T650 HydrophobicContact CG1-CG2 4.18Å; Y592-T650 VanDerWaalsContact OH-C 3.3Å; Y592-T650 PolarHBondContact OH-O 2.83Å; T650-S652 VanDerWaalsContact C-N 3.31Å; T650-S652 PolarHBondContact O-N 3.24Å; T650-S653 CarbonylContact O-C 3.49Å; T650-S653 WeakPolarHBondContact O-CA 3.49Å; T650-S653 VanDerWaalsContact O-CB 3.23Å; T650-S653 WeakPolarHBondContact O-CB 3.42Å; T650-S653 PolarHBondContact O-N 2.62Å; T650-S653 WeakPolarHBondContact OG1-CB 3.31Å; T650-S653 PolarHBondContact OG1-N 3.09Å; T650-S653 PolarHBondContact OG1-OG 2.8Å; T650-V654 PolarHBondContact O-N 3.02Å; T650-V654 VanDerWaalsContact O-N 3.09Å; T650-F756 HydrophobicContact CG2-CB 3.97Å; T650-F756 PolarHBondContact N-O 3.36Å; T650-M758 HydrophobicContact CG2-SD 4.27Å | ||
| 651 | P | 89.1 | Confident | 89.8 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -55.3 | -42.2 | 176.6 | -29.4 | 38.3 | 0 | 0 | 0 | 113.5 | Y592 S653 V654 E655 I703 Y707 L710 | Y592-P651 WeakPolarHBondContact OH-CA 3.31Å; P651-S653 PolarHBondContact O-N 2.85Å; P651-V654 WeakPolarHBondContact O-CA 3.27Å; P651-V654 VanDerWaalsContact O-CB 3.29Å; P651-V654 WeakPolarHBondContact O-CB 3.19Å; P651-V654 PolarHBondContact O-N 2.84Å; P651-E655 PolarHBondContact O-N 2.87Å; P651-E655 VanDerWaalsContact O-N 3.11Å; P651-I703 HydrophobicContact CG-CG2 4.37Å; P651-Y707 HydrophobicContact CB-CD1 3.65Å; P651-Y707 HydrophobicContact CB-CD2 3.43Å; P651-Y707 VanDerWaalsContact CB-CD2 3.43Å; P651-Y707 HydrophobicContact CB-CE1 3.83Å; P651-Y707 HydrophobicContact CB-CE2 3.58Å; P651-Y707 HydrophobicContact CB-CG 3.45Å; P651-Y707 VanDerWaalsContact CB-CG 3.45Å; P651-Y707 HydrophobicContact CG-CD2 3.45Å; P651-Y707 VanDerWaalsContact CG-CD2 3.45Å; P651-Y707 HydrophobicContact CG-CE2 3.61Å; P651-Y707 HydrophobicContact CG-CG 3.97Å; P651-L710 HydrophobicContact CB-CD1 3.87Å; P651-L710 WeakPolarHBondContact O-CD1 3.33Å |
| 652 | S | 85.3 | Confident | 89.9 | Confident | 8 Ų | 8 | 15.9 Ų | 15.9 | 6% | 0.056 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.7 | -18.6 | 172.9 | 26.9 | 0 | 0 | 0 | 0 | 113.7 | S566 T650 K656 | S566-S652 WeakPolarHBondContact O-CB 3.47Å; S566-S652 PolarHBondContact O-OG 2.92Å; S566-S652 VanDerWaalsContact O-OG 3.11Å; S566-S652 PolarHBondContact OG-OG 2.88Å; T650-S652 VanDerWaalsContact C-N 3.31Å; T650-S652 PolarHBondContact O-N 3.24Å; S652-K656 PolarHBondContact O-N 3.04Å |
| 653 | S | 89.8 | Confident | 89.9 | Confident | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.014 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -81 | -22.2 | 167.1 | -57.2 | 0 | 0 | 0 | 0 | 113.1 | T650 P651 L657 F756 | T650-S653 CarbonylContact O-C 3.49Å; T650-S653 WeakPolarHBondContact O-CA 3.49Å; T650-S653 VanDerWaalsContact O-CB 3.23Å; T650-S653 WeakPolarHBondContact O-CB 3.42Å; T650-S653 PolarHBondContact O-N 2.62Å; T650-S653 WeakPolarHBondContact OG1-CB 3.31Å; T650-S653 PolarHBondContact OG1-N 3.09Å; T650-S653 PolarHBondContact OG1-OG 2.8Å; P651-S653 PolarHBondContact O-N 2.85Å; S653-L657 PolarHBondContact O-N 3.33Å; S653-F756 PolarHBondContact OG-N 3.47Å |
| 654 | V | 90.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -73.1 | -37.4 | 170 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | V590 Y592 I649 T650 P651 K656 L657 I658 P664 V666 L710 | V590-V654 HydrophobicContact CB-CG2 4.49Å; V590-V654 HydrophobicContact CG1-CG2 4.03Å; V590-V654 HydrophobicContact CG2-CG2 4.08Å; Y592-V654 HydrophobicContact CE2-CG2 4.3Å; Y592-V654 WeakPolarHBondContact OH-CG2 3.45Å; I649-V654 HydrophobicContact CD1-CG2 3.99Å; I649-V654 HydrophobicContact CG1-CG2 4.02Å; T650-V654 PolarHBondContact O-N 3.02Å; T650-V654 VanDerWaalsContact O-N 3.09Å; P651-V654 WeakPolarHBondContact O-CA 3.27Å; P651-V654 VanDerWaalsContact O-CB 3.29Å; P651-V654 WeakPolarHBondContact O-CB 3.19Å; P651-V654 PolarHBondContact O-N 2.84Å; V654-K656 VanDerWaalsContact C-N 3.3Å; V654-K656 PolarHBondContact O-N 2.89Å; V654-L657 PolarHBondContact O-N 3Å; V654-L657 VanDerWaalsContact O-N 3.1Å; V654-I658 HydrophobicContact CG1-CD1 4.07Å; V654-I658 HydrophobicContact CG1-CG1 4.49Å; V654-I658 WeakPolarHBondContact O-CG1 3.46Å; V654-I658 PolarHBondContact O-N 3.01Å; V654-P664 HydrophobicContact CG1-CG 3.92Å; V654-V666 HydrophobicContact CG1-CG2 3.73Å; V654-L710 HydrophobicContact CB-CD1 4.26Å; V654-L710 HydrophobicContact CG1-CD1 4.43Å |
| 655 | E | 87.2 | Confident | 90.2 | Very high | 10 Ų | 10 | 10.7 Ų | 10.7 | 5% | 0.047 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.6 | -42.6 | 170.3 | -70.3 | -176 | 139.1 | 0 | 0 | 111.9 | K470 F572 P651 L657 I658 Y659 Y709 L710 | K470-E655 IonicContact NZ-OE1 3.18Å; K470-E655 PolarHBondContact NZ-OE1 2.89Å; F572-E655 HydrophobicContact CE2-CB 4.26Å; P651-E655 PolarHBondContact O-N 2.87Å; P651-E655 VanDerWaalsContact O-N 3.11Å; E655-L657 PolarHBondContact O-N 2.8Å; E655-I658 PolarHBondContact O-N 2.89Å; E655-Y659 WeakPolarHBondContact O-CB 3.38Å; E655-Y659 PolarHBondContact O-N 2.99Å; E655-Y709 PolarHBondContact OE1-OH 2.87Å; E655-L710 HydrophobicContact CG-CD1 4.28Å; E655-L710 HydrophobicContact CG-CD2 3.84Å |
| 656 | K | 87.7 | Confident | 90.1 | Very high | 14 Ų | 14 | 10.8 Ų | 10.8 | 6% | 0.061 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -57.6 | -43 | 172.2 | -66.7 | -177.7 | 169.6 | -158.1 | 0 | 113.1 | T569 I570 S652 V654 A660 D753 F754 L755 | T569-K656 VanDerWaalsContact OG1-CE 3.22Å; T569-K656 WeakPolarHBondContact OG1-CE 3.31Å; I570-K656 HydrophobicContact CD1-CB 4.23Å; I570-K656 HydrophobicContact CD1-CG 3.84Å; I570-K656 HydrophobicContact CG1-CG 4.45Å; S652-K656 PolarHBondContact O-N 3.04Å; V654-K656 VanDerWaalsContact C-N 3.3Å; V654-K656 PolarHBondContact O-N 2.89Å; K656-A660 VanDerWaalsContact O-CB 3.25Å; K656-A660 WeakPolarHBondContact O-CB 3.49Å; K656-A660 PolarHBondContact O-N 3.01Å; K656-D753 VanDerWaalsContact CD-OD2 3.25Å; K656-D753 WeakPolarHBondContact CD-OD2 3.42Å; K656-D753 WeakPolarHBondContact CE-OD2 3.17Å; K656-D753 IonicContact NZ-OD1 2.78Å; K656-D753 PolarHBondContact NZ-OD1 3.24Å; K656-D753 IonicContact NZ-OD2 3.05Å; K656-D753 PolarHBondContact NZ-OD2 2.83Å; K656-F754 PolarHBondContact NZ-O 2.89Å; K656-F754 VanDerWaalsContact NZ-O 3.13Å; K656-L755 HydrophobicContact CB-CD2 3.69Å; K656-L755 HydrophobicContact CD-CD2 3.72Å; K656-L755 HydrophobicContact CG-CD2 4.32Å |
| 657 | L | 89.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -69.5 | -32.3 | 176.6 | -72.7 | 179.6 | 0 | 0 | 0 | 113.8 | L632 I635 L647 I649 S653 V654 E655 Q661 Y662 C663 P664 L755 | L632-L657 HydrophobicContact CD2-CD2 3.69Å; I635-L657 HydrophobicContact CD1-CD1 4.42Å; I635-L657 HydrophobicContact CD1-CD2 3.83Å; L647-L657 HydrophobicContact CD1-CD1 3.64Å; I649-L657 HydrophobicContact CD1-CD1 3.54Å; I649-L657 HydrophobicContact CD1-CG 4.36Å; S653-L657 PolarHBondContact O-N 3.33Å; V654-L657 PolarHBondContact O-N 3Å; V654-L657 VanDerWaalsContact O-N 3.1Å; E655-L657 PolarHBondContact O-N 2.8Å; L657-Q661 PolarHBondContact O-N 3.28Å; L657-Y662 HydrophobicContact CD2-CD1 4.4Å; L657-Y662 HydrophobicContact CD2-CD2 4.01Å; L657-Y662 HydrophobicContact CD2-CG 3.9Å; L657-Y662 WeakPolarHBondContact O-CB 3.13Å; L657-Y662 PolarHBondContact O-N 2.84Å; L657-C663 PolarHBondContact O-N 3.4Å; L657-P664 HydrophobicContact CB-CG 3.97Å; L657-P664 HydrophobicContact CD1-CG 4.38Å; L657-L755 HydrophobicContact CD1-CD1 4.14Å; L657-L755 HydrophobicContact CD2-CD1 3.84Å; L657-L755 HydrophobicContact CG-CD1 3.88Å |
| 658 | I | 88.5 | Confident | 89.7 | Confident | 34 Ų | 34 | 10.5 Ų | 10.5 | 17% | 0.174 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -69.1 | -50 | 174.5 | -69 | 166.8 | 0 | 0 | 0 | 109.7 | V654 E655 A660 Q661 P664 L710 | V654-I658 HydrophobicContact CG1-CD1 4.07Å; V654-I658 HydrophobicContact CG1-CG1 4.49Å; V654-I658 WeakPolarHBondContact O-CG1 3.46Å; V654-I658 PolarHBondContact O-N 3.01Å; E655-I658 PolarHBondContact O-N 2.89Å; I658-A660 PolarHBondContact O-N 3.44Å; I658-Q661 WeakPolarHBondContact O-CA 3.32Å; I658-Q661 PolarHBondContact O-N 3.15Å; I658-Q661 PolarHBondContact O-NE2 3.33Å; I658-Q661 VanDerWaalsContact O-NE2 3.17Å; I658-P664 HydrophobicContact CG1-CG 4.3Å; I658-L710 HydrophobicContact CD1-CD2 3.73Å |
| 659 | Y | 86.2 | Confident | 89.7 | Confident | 44 Ų | 44 | 9.7 Ų | 9.7 | 17% | 0.173 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | 177.6 | -178 | -93.8 | 0 | 0 | 0 | 111.5 | I570 F572 E655 Q661 P746 L750 | I570-Y659 HydrophobicContact CD1-CD1 3.9Å; I570-Y659 HydrophobicContact CD1-CD2 4.45Å; I570-Y659 HydrophobicContact CD1-CG 3.77Å; I570-Y659 HydrophobicContact CG2-CD1 4.49Å; I570-Y659 HydrophobicContact CG2-CD2 3.47Å; I570-Y659 VanDerWaalsContact CG2-CD2 3.47Å; I570-Y659 HydrophobicContact CG2-CE2 3.79Å; I570-Y659 HydrophobicContact CG2-CG 3.86Å; F572-Y659 HydrophobicContact CD1-CD2 4.17Å; F572-Y659 AromaticContact CE1-CD2 3.83Å; F572-Y659 HydrophobicContact CE1-CD2 3.83Å; F572-Y659 HydrophobicContact CE1-CG 4.48Å; F572-Y659 HydrophobicContact CZ-CD2 4.16Å; F572-Y659 HydrophobicContact CZ-CG 4.47Å; E655-Y659 WeakPolarHBondContact O-CB 3.38Å; E655-Y659 PolarHBondContact O-N 2.99Å; Y659-Q661 PolarHBondContact O-N 2.87Å; Y659-Q661 PolarHBondContact O-NE2 3.22Å; Y659-P746 HydrophobicContact CD1-CB 4.18Å; Y659-P746 HydrophobicContact CD1-CG 3.87Å; Y659-P746 HydrophobicContact CE1-CB 3.55Å; Y659-P746 HydrophobicContact CE1-CG 3.74Å; Y659-P746 WeakPolarHBondContact O-CG 3Å; Y659-L750 HydrophobicContact CD1-CD1 3.6Å; Y659-L750 HydrophobicContact CD1-CG 4.42Å; Y659-L750 HydrophobicContact CE1-CD1 4.04Å; Y659-L750 HydrophobicContact CE1-CG 4.44Å |
| 660 | A | 86.8 | Confident | 89.5 | Confident | 24 Ų | 24 | 10.7 Ų | 10.7 | 20% | 0.198 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 11.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L632 K656 I658 Y662 L750 | L632-A660 HydrophobicContact CD1-CB 4.2Å; K656-A660 VanDerWaalsContact O-CB 3.25Å; K656-A660 WeakPolarHBondContact O-CB 3.49Å; K656-A660 PolarHBondContact O-N 3.01Å; I658-A660 PolarHBondContact O-N 3.44Å; A660-Y662 HydrophobicContact CB-CD2 3.67Å; A660-Y662 HydrophobicContact CB-CE2 3.73Å; A660-Y662 VanDerWaalsContact O-CD2 3.24Å; A660-Y662 WeakPolarHBondContact O-CD2 3.34Å; A660-Y662 PolarHBondContact O-N 2.82Å; A660-Y662 VanDerWaalsContact O-N 3.14Å; A660-L750 HydrophobicContact CB-CD1 4.4Å |
| 661 | Q | 87.6 | Confident | 89.4 | Confident | 33 Ų | 33 | 10.6 Ų | 10.6 | 15% | 0.154 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 22.1 | 174.9 | -50.8 | -58.1 | -58.8 | 0 | 0 | 115.7 | F585 L657 I658 Y659 C663 M741 | F585-Q661 WeakPolarHBondContact CZ-O 3.45Å; L657-Q661 PolarHBondContact O-N 3.28Å; I658-Q661 WeakPolarHBondContact O-CA 3.32Å; I658-Q661 PolarHBondContact O-N 3.15Å; I658-Q661 PolarHBondContact O-NE2 3.33Å; I658-Q661 VanDerWaalsContact O-NE2 3.17Å; Y659-Q661 PolarHBondContact O-N 2.87Å; Y659-Q661 PolarHBondContact O-NE2 3.22Å; Q661-C663 PolarHBondContact O-N 3.38Å; Q661-M741 HydrophobicContact CB-CE 4.28Å |
| 662 | Y | 89.5 | Confident | 88.8 | Confident | 22 Ų | 22 | 16.6 Ų | 16.6 | 9% | 0.086 | 8% | 0.083 | C | C | . | . | trans | -73.7 | -16.2 | 168.8 | -69.9 | -103.8 | 0 | 0 | 0 | 112.1 | F585 P588 L632 I635 R636 M639 L657 A660 | F585-Y662 WeakPolarHBondContact CE2-O 3.15Å; P588-Y662 WeakPolarHBondContact CD-O 3.45Å; P588-Y662 HydrophobicContact CG-CD1 4.23Å; L632-Y662 HydrophobicContact CD1-CE2 4.08Å; L632-Y662 HydrophobicContact CD2-CE2 4.47Å; I635-Y662 HydrophobicContact CB-CE1 4.49Å; I635-Y662 HydrophobicContact CG2-CD1 3.96Å; I635-Y662 HydrophobicContact CG2-CE1 4Å; R636-Y662 WeakPolarHBondContact CD-OH 3.47Å; R636-Y662 HydrophobicContact CG-CE1 3.85Å; R636-Y662 WeakPolarHBondContact CG-OH 3.44Å; M639-Y662 HydrophobicContact CE-CD1 4.09Å; M639-Y662 HydrophobicContact CE-CE1 4.47Å; M639-Y662 HydrophobicContact SD-CD1 3.57Å; M639-Y662 VanDerWaalsContact SD-CD1 3.57Å; M639-Y662 HydrophobicContact SD-CE1 3.77Å; L657-Y662 HydrophobicContact CD2-CD1 4.4Å; L657-Y662 HydrophobicContact CD2-CD2 4.01Å; L657-Y662 HydrophobicContact CD2-CG 3.9Å; L657-Y662 WeakPolarHBondContact O-CB 3.13Å; L657-Y662 PolarHBondContact O-N 2.84Å; A660-Y662 HydrophobicContact CB-CD2 3.67Å; A660-Y662 HydrophobicContact CB-CE2 3.73Å; A660-Y662 VanDerWaalsContact O-CD2 3.24Å; A660-Y662 WeakPolarHBondContact O-CD2 3.34Å; A660-Y662 PolarHBondContact O-N 2.82Å; A660-Y662 VanDerWaalsContact O-N 3.14Å | ||
| 663 | C | 89.4 | Confident | 88.5 | Confident | 6 Ų | 6 | 18.6 Ų | 18.6 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | trans | 42.4 | 58.1 | 172.8 | -64.9 | 0 | 0 | 0 | 0 | 113.4 | R587 L657 Q661 V739 | R587-C663 VanDerWaalsContact CZ-O 3.26Å; R587-C663 PolarHBondContact NE-O 2.64Å; R587-C663 PolarHBondContact NH2-O 2.76Å; L657-C663 PolarHBondContact O-N 3.4Å; Q661-C663 PolarHBondContact O-N 3.38Å; C663-V739 HydrophobicContact CB-CG1 4.15Å | ||
| 664 | P | 94.7 | Very high | 88 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | trans | -56.8 | 152.3 | -171.7 | 23.4 | -34.4 | 0 | 0 | 0 | 113 | R587 P588 V590 V654 L657 I658 V666 | R587-P664 PolarHBondContact NH2-O 3.45Å; P588-P664 HydrophobicContact CB-CB 4.35Å; P588-P664 CarbonylContact O-C 3.42Å; P588-P664 VanDerWaalsContact O-CA 3.29Å; P588-P664 WeakPolarHBondContact O-CA 3.37Å; V590-P664 HydrophobicContact CG2-CB 4.25Å; V654-P664 HydrophobicContact CG1-CG 3.92Å; L657-P664 HydrophobicContact CB-CG 3.97Å; L657-P664 HydrophobicContact CD1-CG 4.38Å; I658-P664 HydrophobicContact CG1-CG 4.3Å; P664-V666 HydrophobicContact CB-CG2 4.18Å; P664-V666 HydrophobicContact CG-CG2 4.08Å | ||
| 665 | I | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 119.6 | 162.1 | -66.9 | 171.4 | 0 | 0 | 0 | 106.2 | R587 P588 V589 V590 I667 I731 L734 Q735 | R587-I665 HydrophobicContact CB-CD1 4.17Å; R587-I665 HydrophobicContact CB-CG1 4.01Å; P588-I665 PolarHBondContact O-N 2.86Å; V589-I665 CarbonylContact C-O 3.52Å; V589-I665 WeakPolarHBondContact CA-O 3.47Å; V589-I665 HydrophobicContact CG1-CG2 4.36Å; V589-I665 HydrophobicContact CG2-CB 4.17Å; V589-I665 HydrophobicContact CG2-CD1 4.3Å; V590-I665 PolarHBondContact N-O 3.29Å; I665-I667 HydrophobicContact CG2-CD1 3.83Å; I665-I667 HydrophobicContact CG2-CG1 3.89Å; I665-I731 HydrophobicContact CD1-CG2 4.15Å; I665-I731 HydrophobicContact CG2-CG1 4.44Å; I665-L734 HydrophobicContact CD1-CB 4.14Å; I665-L734 HydrophobicContact CG1-CB 4.14Å; I665-L734 HydrophobicContact CG2-CB 4.23Å; I665-L734 HydrophobicContact CG2-CD1 3.81Å; I665-Q735 HydrophobicContact CD1-CB 4.11Å |
| 666 | V | 93.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 115.8 | -177.8 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | V590 Y592 V654 P664 L710 F711 T712 A713 | V590-V666 HydrophobicContact CB-CG1 4.5Å; V590-V666 HydrophobicContact CB-CG2 4.37Å; V590-V666 WeakPolarHBondContact O-CA 3.22Å; Y592-V666 HydrophobicContact CD2-CG1 3.95Å; Y592-V666 HydrophobicContact CE2-CG1 3.98Å; V654-V666 HydrophobicContact CG1-CG2 3.73Å; P664-V666 HydrophobicContact CB-CG2 4.18Å; P664-V666 HydrophobicContact CG-CG2 4.08Å; V666-L710 WeakPolarHBondContact CB-O 3.39Å; V666-L710 WeakPolarHBondContact CG1-O 2.96Å; V666-L710 WeakPolarHBondContact CG2-O 3.39Å; V666-F711 HydrophobicContact CG1-CD1 4.05Å; V666-T712 HydrophobicContact CB-CG2 4.41Å; V666-T712 PolarHBondContact N-OG1 3.27Å; V666-T712 PolarHBondContact O-N 2.94Å; V666-T712 PolarHBondContact O-OG1 3.4Å; V666-A713 PolarHBondContact O-N 3.28Å |
| 667 | I | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.2 | -175.4 | -60.3 | 174 | 0 | 0 | 0 | 109.7 | V590 I591 Y592 I665 V669 A713 I715 L727 L730 I731 L734 | V590-I667 PolarHBondContact O-N 2.85Å; I591-I667 WeakPolarHBondContact CA-O 3.49Å; Y592-I667 PolarHBondContact N-O 2.91Å; I665-I667 HydrophobicContact CG2-CD1 3.83Å; I665-I667 HydrophobicContact CG2-CG1 3.89Å; I667-V669 HydrophobicContact CG2-CG2 4.46Å; I667-A713 WeakPolarHBondContact CA-O 3.47Å; I667-I715 HydrophobicContact CG2-CD1 3.86Å; I667-I715 HydrophobicContact CG2-CG1 3.93Å; I667-L727 HydrophobicContact CB-CD1 4.42Å; I667-L727 HydrophobicContact CD1-CD1 3.77Å; I667-L727 HydrophobicContact CG2-CD1 3.94Å; I667-L730 HydrophobicContact CD1-CD2 4.22Å; I667-L730 HydrophobicContact CD1-CG 4.29Å; I667-L730 HydrophobicContact CG2-CD2 4.41Å; I667-I731 HydrophobicContact CD1-CD1 4.4Å; I667-I731 HydrophobicContact CD1-CG1 3.56Å; I667-L734 HydrophobicContact CD1-CD1 4.05Å; I667-L734 HydrophobicContact CG1-CD1 4.07Å |
| 668 | F | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.9 | 173.9 | -176.9 | -93.5 | 0 | 0 | 0 | 111.2 | N670 A700 Q704 F711 A713 V714 I715 | F668-N670 HydrophobicContact CD1-CB 4.15Å; F668-N670 HydrophobicContact CE1-CB 3.83Å; F668-A700 HydrophobicContact CE2-CB 4.05Å; F668-A700 WeakPolarHBondContact CE2-O 3.04Å; F668-A700 HydrophobicContact CZ-CB 3.88Å; F668-A700 WeakPolarHBondContact CZ-O 3.13Å; F668-Q704 HydrophobicContact CE1-CB 4.07Å; F668-Q704 HydrophobicContact CE1-CG 4.06Å; F668-Q704 HydrophobicContact CE2-CB 4.01Å; F668-Q704 HydrophobicContact CZ-CB 3.67Å; F668-Q704 HydrophobicContact CZ-CG 4.19Å; F668-F711 HydrophobicContact CB-CD1 4.26Å; F668-F711 HydrophobicContact CB-CD2 3.55Å; F668-F711 HydrophobicContact CB-CE1 4.14Å; F668-F711 HydrophobicContact CB-CE2 3.4Å; F668-F711 HydrophobicContact CB-CG 4Å; F668-F711 HydrophobicContact CB-CZ 3.72Å; F668-F711 HydrophobicContact CD1-CE2 4.11Å; F668-F711 HydrophobicContact CD2-CE1 4.14Å; F668-F711 AromaticContact CD2-CE2 3.67Å; F668-F711 HydrophobicContact CD2-CE2 3.67Å; F668-F711 AromaticContact CD2-CZ 3.37Å; F668-F711 HydrophobicContact CD2-CZ 3.37Å; F668-F711 HydrophobicContact CE2-CE2 4.46Å; F668-F711 HydrophobicContact CE2-CZ 4.13Å; F668-F711 HydrophobicContact CG-CD2 4.13Å; F668-F711 HydrophobicContact CG-CE1 4.48Å; F668-F711 AromaticContact CG-CE2 3.46Å; F668-F711 HydrophobicContact CG-CE2 3.46Å; F668-F711 VanDerWaalsContact CG-CE2 3.46Å; F668-F711 AromaticContact CG-CZ 3.67Å; F668-F711 HydrophobicContact CG-CZ 3.67Å; F668-A713 PolarHBondContact N-O 3.18Å; F668-A713 VanDerWaalsContact N-O 3.11Å; F668-V714 HydrophobicContact CB-CG2 4.37Å; F668-V714 HydrophobicContact CD1-CG1 4.32Å; F668-V714 CarbonylContact O-C 3.41Å; F668-V714 WeakPolarHBondContact O-CA 3.37Å; F668-I715 PolarHBondContact O-N 3.32Å |
| 669 | V | 91.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 96.8 | -179.5 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | I591 Y592 G593 T594 L595 I667 V717 W723 | I591-V669 HydrophobicContact CG2-CG2 3.79Å; Y592-V669 PolarHBondContact O-N 2.87Å; G593-V669 WeakPolarHBondContact CA-O 3.47Å; T594-V669 PolarHBondContact N-O 2.96Å; L595-V669 HydrophobicContact CB-CG1 4.19Å; L595-V669 HydrophobicContact CD1-CG1 4.33Å; I667-V669 HydrophobicContact CG2-CG2 4.46Å; V669-V717 HydrophobicContact CG1-CB 4.45Å; V669-V717 HydrophobicContact CG1-CG2 3.5Å; V669-W723 HydrophobicContact CG1-CE3 4.1Å; V669-W723 HydrophobicContact CG1-CZ3 4.22Å |
| 670 | N | 86.7 | Confident | 87.4 | Confident | 21 Ų | 21 | 38.3 Ų | 38.3 | 11% | 0.112 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 144.5 | 179.8 | -169.4 | 23 | 0 | 0 | 0 | 111.5 | F668 E672 I715 V717 | F668-N670 HydrophobicContact CD1-CB 4.15Å; F668-N670 HydrophobicContact CE1-CB 3.83Å; N670-E672 WeakPolarHBondContact ND2-CG 3.41Å; N670-I715 PolarHBondContact N-O 3.16Å; N670-V717 WeakPolarHBondContact O-CB 3.39Å; N670-V717 PolarHBondContact O-N 2.99Å |
| 671 | V | 86.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -145.4 | 104.7 | 165.5 | -174.3 | 0 | 0 | 0 | 0 | 106.9 | T594 L595 R676 L677 V717 | T594-V671 VanDerWaalsContact OG1-CG2 3.31Å; T594-V671 WeakPolarHBondContact OG1-CG2 3.09Å; L595-V671 HydrophobicContact CD1-CG2 3.85Å; L595-V671 HydrophobicContact CG-CG2 4.16Å; V671-R676 HydrophobicContact CG1-CB 4.15Å; V671-R676 HydrophobicContact CG1-CG 4.16Å; V671-L677 HydrophobicContact CB-CB 4.38Å; V671-L677 HydrophobicContact CG1-CB 3.88Å; V671-V717 HydrophobicContact CG2-CB 4.05Å; V671-V717 HydrophobicContact CG2-CG1 4.44Å | ||
| 672 | E | 77.5 | Confident | 87.3 | Confident | 126 Ų | 126 | 44.5 Ų | 44.5 | 59% | 0.589 | 21% | 0.206 | S | C | * | . | trans | -72.7 | -48.1 | -176.4 | -56.4 | -166.2 | 149.5 | 0 | 0 | 110.9 | N670 R674 T718 | N670-E672 WeakPolarHBondContact ND2-CG 3.41Å; E672-R674 PolarHBondContact O-N 3.02Å; E672-R674 VanDerWaalsContact O-N 3.12Å; E672-T718 HydrophobicContact CB-CG2 4.33Å; E672-T718 PolarHBondContact N-OG1 2.76Å | ||
| 673 | S | 78 | Confident | 87.1 | Confident | 49 Ų | 49 | 49 Ų | 49 | 34% | 0.343 | 22% | 0.223 | S | C | . | . | trans | -70.9 | 107.5 | 179.2 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | S675 R676 L677 | S673-S675 PolarHBondContact O-N 2.7Å; S673-S675 VanDerWaalsContact O-N 3.13Å; S673-R676 WeakPolarHBondContact O-CB 3.48Å; S673-R676 PolarHBondContact O-N 2.9Å; S673-R676 PolarHBondContact OG-N 2.96Å; S673-L677 PolarHBondContact O-N 2.97Å | ||
| 674 | R | 80.9 | Confident | 86.6 | Confident | 139 Ų | 139 | 52 Ų | 52 | 53% | 0.525 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.8 | -26.4 | 173.2 | -67.1 | 177.2 | 177.3 | 174.1 | -2.2 | 113 | E672 R678 H697 D698 | E672-R674 PolarHBondContact O-N 3.02Å; E672-R674 VanDerWaalsContact O-N 3.12Å; R674-R678 WeakPolarHBondContact O-CG 3.22Å; R674-R678 PolarHBondContact O-N 3.09Å; R674-H697 PolarHBondContact NE-CD2 3.35Å; R674-H697 VanDerWaalsContact NE-CD2 3.28Å; R674-H697 PolarHBondContact NE-NE2 2.83Å; R674-H697 PolarHBondContact NH2-CD2 2.8Å; R674-H697 VanDerWaalsContact NH2-CD2 3.32Å; R674-H697 PolarHBondContact NH2-NE2 2.62Å; R674-D698 IonicContact NH2-OD1 3.59Å |
| 675 | S | 83.9 | Confident | 85.3 | Confident | 90 Ų | 90 | 53 Ų | 53 | 63% | 0.629 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -72.6 | -48.2 | 174 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | S673 L677 R678 E679 | S673-S675 PolarHBondContact O-N 2.7Å; S673-S675 VanDerWaalsContact O-N 3.13Å; S675-L677 VanDerWaalsContact C-N 3.27Å; S675-L677 PolarHBondContact O-N 2.9Å; S675-R678 WeakPolarHBondContact O-CB 3.35Å; S675-R678 PolarHBondContact O-N 3.04Å; S675-R678 VanDerWaalsContact O-N 3.11Å; S675-E679 PolarHBondContact O-N 3.18Å |
| 676 | R | 86 | Confident | 83.7 | Confident | 30 Ų | 30 | 63 Ų | 63 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.5 | -38.7 | 173.8 | -176.5 | 61.7 | 168.7 | 167.5 | -1.7 | 111.8 | V671 S673 R678 E679 L680 E720 D721 | V671-R676 HydrophobicContact CG1-CB 4.15Å; V671-R676 HydrophobicContact CG1-CG 4.16Å; S673-R676 WeakPolarHBondContact O-CB 3.48Å; S673-R676 PolarHBondContact O-N 2.9Å; S673-R676 PolarHBondContact OG-N 2.96Å; R676-R678 PolarHBondContact O-N 3Å; R676-E679 WeakPolarHBondContact CD-OE2 3.22Å; R676-E679 IonicContact CZ-OE2 2.85Å; R676-E679 IonicContact NE-OE2 3.59Å; R676-E679 IonicContact NH1-OE1 3.36Å; R676-E679 PolarHBondContact NH1-OE1 2.85Å; R676-E679 IonicContact NH1-OE2 3.12Å; R676-E679 PolarHBondContact NH1-OE2 3.06Å; R676-E679 WeakPolarHBondContact O-CB 3.35Å; R676-E679 PolarHBondContact O-N 3.47Å; R676-L680 HydrophobicContact CG-CD1 3.82Å; R676-L680 HydrophobicContact CG-CG 4.31Å; R676-L680 WeakPolarHBondContact O-CB 3.42Å; R676-L680 WeakPolarHBondContact O-CG 3.37Å; R676-L680 PolarHBondContact O-N 2.98Å; R676-E720 PolarHBondContact NH2-O 3.2Å; R676-D721 IonicContact CZ-OD1 3.71Å; R676-D721 IonicContact NH1-OD1 2.97Å; R676-D721 PolarHBondContact NH1-OD1 2.74Å; R676-D721 VanDerWaalsContact NH2-CG 3.29Å; R676-D721 IonicContact NH2-OD1 3.36Å; R676-D721 PolarHBondContact NH2-OD1 3.3Å; R676-D721 IonicContact NH2-OD2 2.86Å |
| 677 | L | 87.3 | Confident | 82.1 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 174.3 | 177.1 | 56 | 0 | 0 | 0 | 112.8 | T594 L595 V671 S673 S675 R681 H697 | T594-L677 HydrophobicContact CG2-CD2 3.96Å; T594-L677 WeakPolarHBondContact OG1-CD1 3.5Å; L595-L677 HydrophobicContact CD2-CD1 3.81Å; L595-L677 HydrophobicContact CG-CD1 4.32Å; V671-L677 HydrophobicContact CB-CB 4.38Å; V671-L677 HydrophobicContact CG1-CB 3.88Å; S673-L677 PolarHBondContact O-N 2.97Å; S675-L677 VanDerWaalsContact C-N 3.27Å; S675-L677 PolarHBondContact O-N 2.9Å; L677-R681 HydrophobicContact CD1-CG 3.96Å; L677-R681 WeakPolarHBondContact O-CG 3.25Å; L677-R681 PolarHBondContact O-N 3.13Å; L677-H697 HydrophobicContact CD2-CB 4.11Å |
| 678 | R | 85 | Confident | 80.5 | Confident | 178 Ų | 178 | 66.5 Ų | 66.5 | 67% | 0.672 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.3 | -43.1 | 175.6 | -72.2 | 176.1 | 178 | -166.3 | -0.1 | 111.2 | R674 S675 R676 K682 | R674-R678 WeakPolarHBondContact O-CG 3.22Å; R674-R678 PolarHBondContact O-N 3.09Å; S675-R678 WeakPolarHBondContact O-CB 3.35Å; S675-R678 PolarHBondContact O-N 3.04Å; S675-R678 VanDerWaalsContact O-N 3.11Å; R676-R678 PolarHBondContact O-N 3Å; R678-K682 WeakPolarHBondContact O-CB 3.38Å; R678-K682 PolarHBondContact O-N 3.47Å |
| 679 | E | 86.7 | Confident | 78.6 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -52.2 | 177.9 | -165.9 | -130.5 | 139.4 | 0 | 0 | 111.6 | S675 R676 R681 K682 R683 | S675-E679 PolarHBondContact O-N 3.18Å; R676-E679 WeakPolarHBondContact CD-OE2 3.22Å; R676-E679 IonicContact CZ-OE2 2.85Å; R676-E679 IonicContact NE-OE2 3.59Å; R676-E679 IonicContact NH1-OE1 3.36Å; R676-E679 PolarHBondContact NH1-OE1 2.85Å; R676-E679 IonicContact NH1-OE2 3.12Å; R676-E679 PolarHBondContact NH1-OE2 3.06Å; R676-E679 WeakPolarHBondContact O-CB 3.35Å; R676-E679 PolarHBondContact O-N 3.47Å; E679-R681 PolarHBondContact O-N 2.82Å; E679-K682 WeakPolarHBondContact O-CB 3.45Å; E679-K682 PolarHBondContact O-N 3.32Å; E679-R683 WeakPolarHBondContact O-CB 3.49Å; E679-R683 PolarHBondContact O-N 3.31Å; E679-R683 IonicContact OE1-CZ 2.68Å; E679-R683 IonicContact OE1-NE 3.3Å; E679-R683 PolarHBondContact OE1-NE 2.91Å; E679-R683 IonicContact OE1-NH2 3.48Å; E679-R683 PolarHBondContact OE1-NH2 2.87Å |
| 680 | L | 87.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.4 | -43.4 | -179.8 | -69.1 | 170.5 | 0 | 0 | 0 | 112.2 | L595 R676 K682 R683 Y684 V717 | L595-L680 HydrophobicContact CD1-CB 4.37Å; L595-L680 HydrophobicContact CD1-CD1 3.94Å; L595-L680 HydrophobicContact CD2-CB 4.16Å; R676-L680 HydrophobicContact CG-CD1 3.82Å; R676-L680 HydrophobicContact CG-CG 4.31Å; R676-L680 WeakPolarHBondContact O-CB 3.42Å; R676-L680 WeakPolarHBondContact O-CG 3.37Å; R676-L680 PolarHBondContact O-N 2.98Å; L680-K682 VanDerWaalsContact C-N 3.33Å; L680-K682 PolarHBondContact O-N 3.29Å; L680-R683 PolarHBondContact O-N 3.16Å; L680-R683 VanDerWaalsContact O-N 3.13Å; L680-Y684 HydrophobicContact CD2-CD2 4.46Å; L680-Y684 HydrophobicContact CD2-CE2 3.93Å; L680-Y684 WeakPolarHBondContact O-CD2 3.49Å; L680-Y684 PolarHBondContact O-N 3.01Å; L680-V717 HydrophobicContact CD1-CG1 3.68Å |
| 681 | R | 87.5 | Confident | 76.5 | Confident | 5 Ų | 5 | 81.7 Ų | 81.7 | 2% | 0.019 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 175.8 | -68.2 | -172.4 | 74.1 | 81.8 | 4.2 | 112 | T594 L595 D597 I598 L677 E679 R683 S685 A688 | T594-R681 PolarHBondContact O-NH1 2.91Å; L595-R681 HydrophobicContact CD2-CG 3.7Å; D597-R681 IonicContact OD1-CZ 2.7Å; D597-R681 IonicContact OD1-NH1 3.5Å; D597-R681 PolarHBondContact OD1-NH1 3.02Å; D597-R681 IonicContact OD1-NH2 3.57Å; D597-R681 PolarHBondContact OD1-NH2 3.18Å; D597-R681 IonicContact OD2-CZ 3.25Å; D597-R681 IonicContact OD2-NH1 2.76Å; D597-R681 PolarHBondContact OD2-NH1 2.8Å; D597-R681 IonicContact OD2-NH2 3.58Å; D597-R681 PolarHBondContact OD2-NH2 3.18Å; I598-R681 HydrophobicContact CD1-CB 4.33Å; I598-R681 HydrophobicContact CD1-CG 3.92Å; L677-R681 HydrophobicContact CD1-CG 3.96Å; L677-R681 WeakPolarHBondContact O-CG 3.25Å; L677-R681 PolarHBondContact O-N 3.13Å; E679-R681 PolarHBondContact O-N 2.82Å; R681-R683 VanDerWaalsContact C-N 3.34Å; R681-S685 PolarHBondContact O-N 3.44Å; R681-A688 PolarHBondContact NE-O 2.64Å; R681-A688 PolarHBondContact NH2-O 2.64Å |
| 682 | K | 85 | Confident | 76.2 | Confident | 183 Ų | 183 | 84.5 Ų | 84.5 | 80% | 0.796 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.9 | -36.5 | 172.4 | -175.3 | -178.4 | 178.9 | -176.5 | 0 | 112.2 | R678 E679 L680 | R678-K682 WeakPolarHBondContact O-CB 3.38Å; R678-K682 PolarHBondContact O-N 3.47Å; E679-K682 WeakPolarHBondContact O-CB 3.45Å; E679-K682 PolarHBondContact O-N 3.32Å; L680-K682 VanDerWaalsContact C-N 3.33Å; L680-K682 PolarHBondContact O-N 3.29Å |
| 683 | R | 84.5 | Confident | 76.3 | Confident | 117 Ų | 117 | 79.8 Ų | 79.8 | 44% | 0.442 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.4 | -42.6 | -179.3 | -163.7 | -167.3 | -72 | -170.5 | -2.1 | 112.8 | E679 L680 R681 D721 | E679-R683 WeakPolarHBondContact O-CB 3.49Å; E679-R683 PolarHBondContact O-N 3.31Å; E679-R683 IonicContact OE1-CZ 2.68Å; E679-R683 IonicContact OE1-NE 3.3Å; E679-R683 PolarHBondContact OE1-NE 2.91Å; E679-R683 IonicContact OE1-NH2 3.48Å; E679-R683 PolarHBondContact OE1-NH2 2.87Å; L680-R683 PolarHBondContact O-N 3.16Å; L680-R683 VanDerWaalsContact O-N 3.13Å; R681-R683 VanDerWaalsContact C-N 3.34Å; R683-D721 IonicContact CZ-OD1 3.61Å; R683-D721 VanDerWaalsContact CZ-OD1 3.27Å; R683-D721 IonicContact NH1-OD1 2.82Å; R683-D721 PolarHBondContact NH1-OD1 2.81Å; R683-D721 IonicContact NH2-OD1 2.73Å; R683-D721 PolarHBondContact NH2-OD1 2.86Å |
| 684 | Y | 78.7 | Confident | 76.5 | Confident | 69 Ų | 69 | 83.9 Ų | 83.9 | 27% | 0.271 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -99.1 | -21.2 | -168.4 | -73.1 | -81.7 | 0 | 0 | 0 | 116.5 | I598 L680 D721 W723 | I598-Y684 HydrophobicContact CG2-CG 4.33Å; L680-Y684 HydrophobicContact CD2-CD2 4.46Å; L680-Y684 HydrophobicContact CD2-CE2 3.93Å; L680-Y684 WeakPolarHBondContact O-CD2 3.49Å; L680-Y684 PolarHBondContact O-N 3.01Å; Y684-D721 PolarHBondContact OH-O 3.23Å; Y684-W723 AromaticContact CE2-NE1 3.66Å; Y684-W723 AromaticContact CZ-NE1 3.86Å |
| 685 | S | 69.1 | Low | 76.6 | Confident | 24 Ų | 24 | 83.1 Ų | 83.1 | 17% | 0.168 | 41% | 0.411 | C | S | . | . | trans | -155.5 | 127.6 | 176.1 | 169.1 | 0 | 0 | 0 | 0 | 114 | R681 A687 A688 | R681-S685 PolarHBondContact O-N 3.44Å; S685-A687 VanDerWaalsContact C-N 3.34Å; S685-A687 PolarHBondContact O-N 2.96Å; S685-A687 PolarHBondContact OG-N 2.94Å; S685-A688 VanDerWaalsContact CB-CB 3.46Å; S685-A688 PolarHBondContact O-N 2.87Å; S685-A688 WeakPolarHBondContact OG-CB 3.34Å; S685-A688 PolarHBondContact OG-N 2.83Å; S685-A688 VanDerWaalsContact OG-N 3.14Å | ||
| 686 | K | 61 | Low | 76.7 | Confident | 209 Ų | 209 | 80 Ų | 80 | 91% | 0.909 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -65.2 | -35.4 | 176.8 | -64.5 | -174.6 | 178.3 | -175.8 | 0 | 112.4 | ||
| 687 | A | 59.8 | Low | 76.6 | Confident | 72 Ų | 72 | 79.7 Ų | 79.7 | 60% | 0.595 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -80.2 | -28.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S685 A689 M690 | S685-A687 VanDerWaalsContact C-N 3.34Å; S685-A687 PolarHBondContact O-N 2.96Å; S685-A687 PolarHBondContact OG-N 2.94Å; A687-A689 PolarHBondContact O-N 3.44Å; A687-M690 PolarHBondContact O-N 2.89Å; A687-M690 VanDerWaalsContact O-N 3.09Å |
| 688 | A | 55.6 | Low | 76.6 | Confident | 4 Ų | 4 | 82.4 Ų | 82.4 | 3% | 0.033 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -60.3 | -17.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I598 R681 S685 M690 K691 | I598-A688 HydrophobicContact CD1-CB 3.94Å; I598-A688 HydrophobicContact CG1-CB 4.06Å; R681-A688 PolarHBondContact NE-O 2.64Å; R681-A688 PolarHBondContact NH2-O 2.64Å; S685-A688 VanDerWaalsContact CB-CB 3.46Å; S685-A688 PolarHBondContact O-N 2.87Å; S685-A688 WeakPolarHBondContact OG-CB 3.34Å; S685-A688 PolarHBondContact OG-N 2.83Å; S685-A688 VanDerWaalsContact OG-N 3.14Å; A688-M690 PolarHBondContact O-N 3.19Å; A688-K691 PolarHBondContact O-N 2.9Å |
| 689 | A | 52.4 | Low | 76.7 | Confident | 75 Ų | 75 | 76.3 Ų | 76.3 | 62% | 0.62 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -62.1 | -25.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A687 K691 | A687-A689 PolarHBondContact O-N 3.44Å; A689-K691 PolarHBondContact O-N 3.09Å |
| 690 | M | 60.6 | Low | 76.8 | Confident | 179 Ų | 179 | 72.8 Ų | 72.8 | 88% | 0.882 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -71 | -17.5 | 179.3 | -57.4 | -162.5 | 86.9 | 0 | 0 | 113.4 | A687 A688 | A687-M690 PolarHBondContact O-N 2.89Å; A687-M690 VanDerWaalsContact O-N 3.09Å; A688-M690 PolarHBondContact O-N 3.19Å |
| 691 | K | 73 | Confident | 76.8 | Confident | 85 Ų | 85 | 76.1 Ų | 76.1 | 37% | 0.37 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -90.9 | 113.9 | 175.1 | -62.8 | -178.1 | -164.4 | 163.6 | 0 | 110.1 | D597 A688 A689 S693 L696 | D597-K691 VanDerWaalsContact OD2-CD 3.31Å; D597-K691 WeakPolarHBondContact OD2-CD 3.24Å; D597-K691 WeakPolarHBondContact OD2-CE 3.13Å; D597-K691 IonicContact OD2-NZ 2.67Å; D597-K691 PolarHBondContact OD2-NZ 2.78Å; A688-K691 PolarHBondContact O-N 2.9Å; A689-K691 PolarHBondContact O-N 3.09Å; K691-S693 PolarHBondContact O-N 3.14Å; K691-S693 VanDerWaalsContact O-N 3.14Å; K691-L696 HydrophobicContact CB-CD1 3.91Å; K691-L696 HydrophobicContact CB-CG 4.43Å |
| 692 | S | 79.4 | Confident | 76.8 | Confident | 60 Ų | 60 | 80.7 Ų | 80.7 | 42% | 0.42 | 40% | 0.402 | S | S | . | . | trans | -54.1 | 116.8 | 178.7 | -179.9 | 0 | 0 | 0 | 0 | 112.2 | K694 K695 L696 | S692-K694 PolarHBondContact O-N 2.86Å; S692-K694 VanDerWaalsContact O-N 3.14Å; S692-K695 PolarHBondContact O-N 3.33Å; S692-L696 PolarHBondContact O-N 3.31Å; S692-L696 VanDerWaalsContact O-N 3.14Å | ||
| 693 | S | 80.3 | Confident | 76.9 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 19% | 0.189 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.1 | -30.7 | 179.6 | -36.6 | 0 | 0 | 0 | 0 | 112.6 | K691 H697 | K691-S693 PolarHBondContact O-N 3.14Å; K691-S693 VanDerWaalsContact O-N 3.14Å; S693-H697 WeakPolarHBondContact O-CB 3.47Å; S693-H697 PolarHBondContact O-N 3.26Å |
| 694 | K | 82.3 | Confident | 76.9 | Confident | 134 Ų | 134 | 69.8 Ų | 69.8 | 58% | 0.583 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.5 | -52 | 173.7 | -179.1 | 176.5 | 177.1 | -179.1 | 0 | 110.9 | S692 L696 H697 D698 | S692-K694 PolarHBondContact O-N 2.86Å; S692-K694 VanDerWaalsContact O-N 3.14Å; K694-L696 VanDerWaalsContact C-N 3.28Å; K694-L696 PolarHBondContact O-N 3.34Å; K694-H697 PolarHBondContact O-N 3.49Å; K694-D698 WeakPolarHBondContact CE-OD2 3.25Å; K694-D698 VanDerWaalsContact CG-OD2 3.29Å; K694-D698 WeakPolarHBondContact CG-OD2 3.17Å; K694-D698 WeakPolarHBondContact O-CB 3.15Å; K694-D698 PolarHBondContact O-N 3.11Å |
| 695 | K | 83.5 | Confident | 77.1 | Confident | 123 Ų | 123 | 74.7 Ų | 74.7 | 54% | 0.535 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 178.2 | -67.8 | -176 | -179.9 | -179.9 | 0 | 111.6 | S692 Q699 | S692-K695 PolarHBondContact O-N 3.33Å; K695-Q699 WeakPolarHBondContact O-CB 3.11Å; K695-Q699 PolarHBondContact O-N 2.7Å |
| 696 | L | 85.4 | Confident | 77.7 | Confident | 25 Ų | 25 | 77.7 Ų | 77.7 | 13% | 0.131 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 179 | -69.3 | 170.9 | 0 | 0 | 0 | 112.5 | K691 S692 K694 Q699 A700 | K691-L696 HydrophobicContact CB-CD1 3.91Å; K691-L696 HydrophobicContact CB-CG 4.43Å; S692-L696 PolarHBondContact O-N 3.31Å; S692-L696 VanDerWaalsContact O-N 3.14Å; K694-L696 VanDerWaalsContact C-N 3.28Å; K694-L696 PolarHBondContact O-N 3.34Å; L696-Q699 PolarHBondContact O-N 3.01Å; L696-A700 VanDerWaalsContact O-CB 3.28Å; L696-A700 WeakPolarHBondContact O-CB 3.39Å; L696-A700 PolarHBondContact O-N 2.91Å |
| 697 | H | 84.9 | Confident | 78.8 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 11% | 0.111 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.1 | -45 | 176.9 | 172.1 | 99.2 | 0 | 0 | 0 | 111.8 | T594 R674 L677 S693 K694 Q699 A700 V701 | T594-H697 HydrophobicContact CG2-CB 4.2Å; R674-H697 PolarHBondContact NE-CD2 3.35Å; R674-H697 VanDerWaalsContact NE-CD2 3.28Å; R674-H697 PolarHBondContact NE-NE2 2.83Å; R674-H697 PolarHBondContact NH2-CD2 2.8Å; R674-H697 VanDerWaalsContact NH2-CD2 3.32Å; R674-H697 PolarHBondContact NH2-NE2 2.62Å; L677-H697 HydrophobicContact CD2-CB 4.11Å; S693-H697 WeakPolarHBondContact O-CB 3.47Å; S693-H697 PolarHBondContact O-N 3.26Å; K694-H697 PolarHBondContact O-N 3.49Å; H697-Q699 PolarHBondContact O-N 2.89Å; H697-A700 PolarHBondContact O-N 2.87Å; H697-V701 WeakPolarHBondContact O-CG2 3.5Å; H697-V701 PolarHBondContact O-N 2.69Å |
| 698 | D | 86 | Confident | 79.8 | Confident | 57 Ų | 57 | 67 Ų | 67 | 31% | 0.305 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.4 | -29.1 | 175.9 | -63.5 | -8.8 | 0 | 0 | 0 | 112.1 | R674 K694 | R674-D698 IonicContact NH2-OD1 3.59Å; K694-D698 WeakPolarHBondContact CE-OD2 3.25Å; K694-D698 VanDerWaalsContact CG-OD2 3.29Å; K694-D698 WeakPolarHBondContact CG-OD2 3.17Å; K694-D698 WeakPolarHBondContact O-CB 3.15Å; K694-D698 PolarHBondContact O-N 3.11Å |
| 699 | Q | 87.3 | Confident | 81.1 | Confident | 51 Ų | 51 | 68.8 Ų | 68.8 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -77.4 | -45.8 | 172.1 | -176.1 | 178.3 | 26 | 0 | 0 | 111.8 | K695 L696 H697 V701 R702 I703 | K695-Q699 WeakPolarHBondContact O-CB 3.11Å; K695-Q699 PolarHBondContact O-N 2.7Å; L696-Q699 PolarHBondContact O-N 3.01Å; H697-Q699 PolarHBondContact O-N 2.89Å; Q699-V701 PolarHBondContact O-N 3.3Å; Q699-R702 PolarHBondContact O-N 2.84Å; Q699-R702 VanDerWaalsContact O-N 3.13Å; Q699-I703 HydrophobicContact CG-CD1 4.02Å; Q699-I703 WeakPolarHBondContact O-CG1 3.15Å; Q699-I703 PolarHBondContact O-N 3.07Å |
| 700 | A | 88.9 | Confident | 82.7 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T594 F668 L696 H697 R702 I703 Q704 | T594-A700 HydrophobicContact CG2-CB 3.58Å; F668-A700 HydrophobicContact CE2-CB 4.05Å; F668-A700 WeakPolarHBondContact CE2-O 3.04Å; F668-A700 HydrophobicContact CZ-CB 3.88Å; F668-A700 WeakPolarHBondContact CZ-O 3.13Å; L696-A700 VanDerWaalsContact O-CB 3.28Å; L696-A700 WeakPolarHBondContact O-CB 3.39Å; L696-A700 PolarHBondContact O-N 2.91Å; H697-A700 PolarHBondContact O-N 2.87Å; A700-R702 VanDerWaalsContact C-N 3.28Å; A700-R702 PolarHBondContact O-N 3.16Å; A700-I703 PolarHBondContact O-N 3.03Å; A700-Q704 WeakPolarHBondContact O-CB 3.32Å; A700-Q704 PolarHBondContact O-N 2.92Å |
| 701 | V | 87.4 | Confident | 84 | Confident | 71 Ų | 71 | 57.6 Ų | 57.6 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.4 | -36.2 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | H697 Q699 K705 | H697-V701 WeakPolarHBondContact O-CG2 3.5Å; H697-V701 PolarHBondContact O-N 2.69Å; Q699-V701 PolarHBondContact O-N 3.3Å; V701-K705 VanDerWaalsContact O-CB 3.28Å; V701-K705 WeakPolarHBondContact O-CB 3.18Å; V701-K705 PolarHBondContact O-N 2.98Å |
| 702 | R | 87.3 | Confident | 84.6 | Confident | 100 Ų | 100 | 54.8 Ų | 54.8 | 38% | 0.377 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 174.1 | -80.3 | -166.2 | -89.9 | 157.6 | -11.6 | 112.6 | D561 F565 Q699 A700 K705 L706 | D561-R702 IonicContact OD1-CZ 3.58Å; D561-R702 IonicContact OD1-NH1 3.44Å; D561-R702 PolarHBondContact OD1-NH1 2.89Å; D561-R702 IonicContact OD1-NH2 3.9Å; D561-R702 PolarHBondContact OD1-NH2 2.75Å; F565-R702 HydrophobicContact CE1-CB 3.77Å; F565-R702 HydrophobicContact CZ-CB 3.77Å; Q699-R702 PolarHBondContact O-N 2.84Å; Q699-R702 VanDerWaalsContact O-N 3.13Å; A700-R702 VanDerWaalsContact C-N 3.28Å; A700-R702 PolarHBondContact O-N 3.16Å; R702-K705 PolarHBondContact O-N 3.41Å; R702-L706 WeakPolarHBondContact O-CB 3.32Å; R702-L706 WeakPolarHBondContact O-CG 3.42Å; R702-L706 PolarHBondContact O-N 3.06Å |
| 703 | I | 87.2 | Confident | 84.8 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 177.7 | -59 | 165.3 | 0 | 0 | 0 | 110.3 | F565 Y592 P651 Q699 A700 K705 L706 Y707 F711 M758 | F565-I703 HydrophobicContact CE1-CG1 4.32Å; F565-I703 HydrophobicContact CZ-CG1 4.46Å; Y592-I703 HydrophobicContact CD1-CD1 4.23Å; Y592-I703 HydrophobicContact CD2-CG2 4.15Å; Y592-I703 HydrophobicContact CG-CG2 4.19Å; P651-I703 HydrophobicContact CG-CG2 4.37Å; Q699-I703 HydrophobicContact CG-CD1 4.02Å; Q699-I703 WeakPolarHBondContact O-CG1 3.15Å; Q699-I703 PolarHBondContact O-N 3.07Å; A700-I703 PolarHBondContact O-N 3.03Å; I703-K705 VanDerWaalsContact C-N 3.32Å; I703-K705 PolarHBondContact O-N 2.77Å; I703-L706 PolarHBondContact O-N 2.83Å; I703-Y707 HydrophobicContact CG2-CD2 4.39Å; I703-Y707 WeakPolarHBondContact O-CA 3.39Å; I703-Y707 WeakPolarHBondContact O-CB 3.29Å; I703-Y707 PolarHBondContact O-N 3.15Å; I703-F711 HydrophobicContact CG2-CE1 3.94Å; I703-F711 HydrophobicContact CG2-CZ 3.98Å; I703-M758 HydrophobicContact CD1-CE 3.59Å |
| 704 | Q | 84.7 | Confident | 85 | Confident | 67 Ų | 67 | 52.5 Ų | 52.5 | 31% | 0.313 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 176.1 | -170 | 176.7 | 9 | 0 | 0 | 112.7 | F668 A700 S708 F711 | F668-Q704 HydrophobicContact CE1-CB 4.07Å; F668-Q704 HydrophobicContact CE1-CG 4.06Å; F668-Q704 HydrophobicContact CE2-CB 4.01Å; F668-Q704 HydrophobicContact CZ-CB 3.67Å; F668-Q704 HydrophobicContact CZ-CG 4.19Å; A700-Q704 WeakPolarHBondContact O-CB 3.32Å; A700-Q704 PolarHBondContact O-N 2.92Å; Q704-S708 WeakPolarHBondContact O-CB 3.39Å; Q704-F711 HydrophobicContact CB-CE2 4.37Å; Q704-F711 HydrophobicContact CG-CE2 4.31Å |
| 705 | K | 82.6 | Confident | 85.1 | Confident | 173 Ų | 173 | 46.5 Ų | 46.5 | 75% | 0.752 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -74.8 | -34.8 | 178.6 | -179 | 171 | 179 | 175.2 | 0 | 113.8 | V701 R702 I703 | V701-K705 VanDerWaalsContact O-CB 3.28Å; V701-K705 WeakPolarHBondContact O-CB 3.18Å; V701-K705 PolarHBondContact O-N 2.98Å; R702-K705 PolarHBondContact O-N 3.41Å; I703-K705 VanDerWaalsContact C-N 3.32Å; I703-K705 PolarHBondContact O-N 2.77Å |
| 706 | L | 81.3 | Confident | 85.2 | Confident | 86 Ų | 86 | 41.3 Ų | 41.3 | 45% | 0.45 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -102.3 | -22.8 | -170.9 | -63.6 | 174 | 0 | 0 | 0 | 114 | F565 R702 I703 Y709 | F565-L706 HydrophobicContact CD1-CD1 3.7Å; F565-L706 HydrophobicContact CE1-CD1 4.13Å; R702-L706 WeakPolarHBondContact O-CB 3.32Å; R702-L706 WeakPolarHBondContact O-CG 3.42Å; R702-L706 PolarHBondContact O-N 3.06Å; I703-L706 PolarHBondContact O-N 2.83Å; L706-Y709 VanDerWaalsContact O-CE1 3.31Å; L706-Y709 WeakPolarHBondContact O-CE1 3.29Å |
| 707 | Y | 84.8 | Confident | 85.2 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -136.6 | 21.2 | -169 | -59.1 | -67.1 | 0 | 0 | 0 | 113.7 | F565 P651 I703 Y709 L710 F711 | F565-Y707 WeakPolarHBondContact CA-OH 3.28Å; F565-Y707 AromaticContact CD1-CE2 3.75Å; F565-Y707 HydrophobicContact CD1-CE2 3.75Å; F565-Y707 HydrophobicContact CE1-CE2 4.2Å; P651-Y707 HydrophobicContact CB-CD1 3.65Å; P651-Y707 HydrophobicContact CB-CD2 3.43Å; P651-Y707 VanDerWaalsContact CB-CD2 3.43Å; P651-Y707 HydrophobicContact CB-CE1 3.83Å; P651-Y707 HydrophobicContact CB-CE2 3.58Å; P651-Y707 HydrophobicContact CB-CG 3.45Å; P651-Y707 VanDerWaalsContact CB-CG 3.45Å; P651-Y707 HydrophobicContact CG-CD2 3.45Å; P651-Y707 VanDerWaalsContact CG-CD2 3.45Å; P651-Y707 HydrophobicContact CG-CE2 3.61Å; P651-Y707 HydrophobicContact CG-CG 3.97Å; I703-Y707 HydrophobicContact CG2-CD2 4.39Å; I703-Y707 WeakPolarHBondContact O-CA 3.39Å; I703-Y707 WeakPolarHBondContact O-CB 3.29Å; I703-Y707 PolarHBondContact O-N 3.15Å; Y707-Y709 AromaticContact CD1-CE1 3.98Å; Y707-Y709 HydrophobicContact CD1-CE1 3.98Å; Y707-Y709 PolarHBondContact O-N 3.43Å; Y707-L710 HydrophobicContact CD1-CD1 4.04Å; Y707-L710 HydrophobicContact CG-CD1 4.34Å; Y707-L710 WeakPolarHBondContact O-CB 3.39Å; Y707-L710 PolarHBondContact O-N 3Å; Y707-F711 WeakPolarHBondContact O-CE1 3.11Å |
| 708 | S | 80.7 | Confident | 84.9 | Confident | 40 Ų | 40 | 39.4 Ų | 39.4 | 28% | 0.28 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -54.5 | -32.7 | 174.3 | 46.1 | 0 | 0 | 0 | 0 | 113.2 | Q704 L710 F711 | Q704-S708 WeakPolarHBondContact O-CB 3.39Å; S708-L710 PolarHBondContact O-N 3.47Å; S708-F711 WeakPolarHBondContact O-CB 3.2Å; S708-F711 PolarHBondContact O-N 3.47Å |
| 709 | Y | 82.5 | Confident | 84.4 | Confident | 43 Ų | 43 | 46.2 Ų | 46.2 | 17% | 0.169 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -61.8 | -19.5 | 175.4 | 70.3 | -94.4 | 0 | 0 | 0 | 114.6 | K470 E655 L706 Y707 | K470-Y709 HydrophobicContact CB-CD1 4.48Å; K470-Y709 HydrophobicContact CB-CG 4.5Å; K470-Y709 HydrophobicContact CD-CD1 4.36Å; K470-Y709 HydrophobicContact CD-CD2 4.28Å; K470-Y709 HydrophobicContact CD-CE1 3.92Å; K470-Y709 HydrophobicContact CD-CE2 3.83Å; K470-Y709 VanDerWaalsContact CE-CE2 3.46Å; K470-Y709 HydrophobicContact CG-CD1 4.35Å; K470-Y709 HydrophobicContact CG-CD2 4Å; K470-Y709 HydrophobicContact CG-CE1 4.39Å; K470-Y709 HydrophobicContact CG-CE2 4.05Å; K470-Y709 HydrophobicContact CG-CG 4.17Å; K470-Y709 PolarHBondContact NZ-OH 2.8Å; K470-Y709 WeakPolarHBondContact O-CB 3.13Å; E655-Y709 PolarHBondContact OE1-OH 2.87Å; L706-Y709 VanDerWaalsContact O-CE1 3.31Å; L706-Y709 WeakPolarHBondContact O-CE1 3.29Å; Y707-Y709 AromaticContact CD1-CE1 3.98Å; Y707-Y709 HydrophobicContact CD1-CE1 3.98Å; Y707-Y709 PolarHBondContact O-N 3.43Å |
| 710 | L | 86.6 | Confident | 84.1 | Confident | 10 Ų | 10 | 45.7 Ų | 45.7 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -84.2 | -15.6 | 173.8 | -61.1 | -179.7 | 0 | 0 | 0 | 112.7 | P651 V654 E655 I658 V666 Y707 S708 | P651-L710 HydrophobicContact CB-CD1 3.87Å; P651-L710 WeakPolarHBondContact O-CD1 3.33Å; V654-L710 HydrophobicContact CB-CD1 4.26Å; V654-L710 HydrophobicContact CG1-CD1 4.43Å; E655-L710 HydrophobicContact CG-CD1 4.28Å; E655-L710 HydrophobicContact CG-CD2 3.84Å; I658-L710 HydrophobicContact CD1-CD2 3.73Å; V666-L710 WeakPolarHBondContact CB-O 3.39Å; V666-L710 WeakPolarHBondContact CG1-O 2.96Å; V666-L710 WeakPolarHBondContact CG2-O 3.39Å; Y707-L710 HydrophobicContact CD1-CD1 4.04Å; Y707-L710 HydrophobicContact CG-CD1 4.34Å; Y707-L710 WeakPolarHBondContact O-CB 3.39Å; Y707-L710 PolarHBondContact O-N 3Å; S708-L710 PolarHBondContact O-N 3.47Å |
| 711 | F | 87.9 | Confident | 83.6 | Confident | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | trans | -75.7 | 130.7 | -175.7 | -56.8 | -12.5 | 0 | 0 | 0 | 110 | Q240 Y592 V666 F668 I703 Q704 Y707 S708 V714 | Q240-F711 PolarHBondContact NE2-O 2.67Å; Y592-F711 HydrophobicContact CD2-CE1 4.03Å; V666-F711 HydrophobicContact CG1-CD1 4.05Å; F668-F711 HydrophobicContact CB-CD1 4.26Å; F668-F711 HydrophobicContact CB-CD2 3.55Å; F668-F711 HydrophobicContact CB-CE1 4.14Å; F668-F711 HydrophobicContact CB-CE2 3.4Å; F668-F711 HydrophobicContact CB-CG 4Å; F668-F711 HydrophobicContact CB-CZ 3.72Å; F668-F711 HydrophobicContact CD1-CE2 4.11Å; F668-F711 HydrophobicContact CD2-CE1 4.14Å; F668-F711 AromaticContact CD2-CE2 3.67Å; F668-F711 HydrophobicContact CD2-CE2 3.67Å; F668-F711 AromaticContact CD2-CZ 3.37Å; F668-F711 HydrophobicContact CD2-CZ 3.37Å; F668-F711 HydrophobicContact CE2-CE2 4.46Å; F668-F711 HydrophobicContact CE2-CZ 4.13Å; F668-F711 HydrophobicContact CG-CD2 4.13Å; F668-F711 HydrophobicContact CG-CE1 4.48Å; F668-F711 AromaticContact CG-CE2 3.46Å; F668-F711 HydrophobicContact CG-CE2 3.46Å; F668-F711 VanDerWaalsContact CG-CE2 3.46Å; F668-F711 AromaticContact CG-CZ 3.67Å; F668-F711 HydrophobicContact CG-CZ 3.67Å; I703-F711 HydrophobicContact CG2-CE1 3.94Å; I703-F711 HydrophobicContact CG2-CZ 3.98Å; Q704-F711 HydrophobicContact CB-CE2 4.37Å; Q704-F711 HydrophobicContact CG-CE2 4.31Å; Y707-F711 WeakPolarHBondContact O-CE1 3.11Å; S708-F711 WeakPolarHBondContact O-CB 3.2Å; S708-F711 PolarHBondContact O-N 3.47Å; F711-V714 HydrophobicContact CD2-CG2 3.94Å | ||
| 712 | T | 86.1 | Confident | 83.6 | Confident | 26 Ų | 26 | 50.1 Ų | 50.1 | 16% | 0.16 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -86.5 | -21.4 | 169.5 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | V666 | V666-T712 HydrophobicContact CB-CG2 4.41Å; V666-T712 PolarHBondContact N-OG1 3.27Å; V666-T712 PolarHBondContact O-N 2.94Å; V666-T712 PolarHBondContact O-OG1 3.4Å |
| 713 | A | 82.6 | Confident | 83.7 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 162.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | V666 I667 F668 L730 L734 | V666-A713 PolarHBondContact O-N 3.28Å; I667-A713 WeakPolarHBondContact CA-O 3.47Å; F668-A713 PolarHBondContact N-O 3.18Å; F668-A713 VanDerWaalsContact N-O 3.11Å; A713-L730 HydrophobicContact CB-CD1 4.13Å; A713-L730 HydrophobicContact CB-CD2 3.82Å; A713-L730 HydrophobicContact CB-CG 4.31Å; A713-L734 HydrophobicContact CB-CD1 3.9Å |
| 714 | V | 84.5 | Confident | 83.8 | Confident | 20 Ų | 20 | 45.8 Ų | 45.8 | 12% | 0.121 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 148.5 | 169.9 | 175.2 | 0 | 0 | 0 | 0 | 108 | T237 F668 F711 | T237-V714 HydrophobicContact CG2-CB 3.85Å; T237-V714 HydrophobicContact CG2-CG1 4.11Å; T237-V714 WeakPolarHBondContact CG2-O 3.12Å; F668-V714 HydrophobicContact CB-CG2 4.37Å; F668-V714 HydrophobicContact CD1-CG1 4.32Å; F668-V714 CarbonylContact O-C 3.41Å; F668-V714 WeakPolarHBondContact O-CA 3.37Å; F711-V714 HydrophobicContact CD2-CG2 3.94Å |
| 715 | I | 85.4 | Confident | 83.9 | Confident | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.4 | 167 | -51.9 | 176.1 | 0 | 0 | 0 | 107.2 | I667 F668 N670 V717 L727 L730 | I667-I715 HydrophobicContact CG2-CD1 3.86Å; I667-I715 HydrophobicContact CG2-CG1 3.93Å; F668-I715 PolarHBondContact O-N 3.32Å; N670-I715 PolarHBondContact N-O 3.16Å; I715-V717 HydrophobicContact CB-CG2 4.47Å; I715-V717 HydrophobicContact CG2-CG2 3.83Å; I715-L727 HydrophobicContact CD1-CB 3.9Å; I715-L727 HydrophobicContact CD1-CD1 3.85Å; I715-L727 HydrophobicContact CD1-CG 4.49Å; I715-L730 HydrophobicContact CD1-CD2 3.83Å; I715-L730 HydrophobicContact CG1-CD2 3.66Å |
| 716 | D | 85.6 | Confident | 84 | Confident | 14 Ų | 14 | 40.3 Ų | 40.3 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 125.1 | 162.8 | 178.1 | 41.2 | 0 | 0 | 0 | 110.4 | V233 T718 | V233-D716 HydrophobicContact CG1-CB 4.34Å; V233-D716 VanDerWaalsContact CG1-O 3.29Å; V233-D716 WeakPolarHBondContact CG1-O 3.45Å; D716-T718 WeakPolarHBondContact OD1-CB 3.46Å; D716-T718 PolarHBondContact OD1-N 3.21Å; D716-T718 PolarHBondContact OD1-OG1 2.81Å; D716-T718 WeakPolarHBondContact OD2-CB 3.37Å |
| 717 | V | 85.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -109.1 | 4.6 | 179.8 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | L595 V669 N670 V671 L680 I715 Y719 W723 | L595-V717 HydrophobicContact CD1-CG1 3.92Å; V669-V717 HydrophobicContact CG1-CB 4.45Å; V669-V717 HydrophobicContact CG1-CG2 3.5Å; N670-V717 WeakPolarHBondContact O-CB 3.39Å; N670-V717 PolarHBondContact O-N 2.99Å; V671-V717 HydrophobicContact CG2-CB 4.05Å; V671-V717 HydrophobicContact CG2-CG1 4.44Å; L680-V717 HydrophobicContact CD1-CG1 3.68Å; I715-V717 HydrophobicContact CB-CG2 4.47Å; I715-V717 HydrophobicContact CG2-CG2 3.83Å; V717-Y719 VanDerWaalsContact C-N 3.27Å; V717-Y719 PolarHBondContact O-N 2.82Å; V717-W723 HydrophobicContact CB-CB 4.1Å; V717-W723 HydrophobicContact CB-CG 4.31Å; V717-W723 HydrophobicContact CG1-CB 3.59Å; V717-W723 HydrophobicContact CG1-CD2 4.01Å; V717-W723 HydrophobicContact CG1-CG 3.4Å; V717-W723 HydrophobicContact CG2-CB 3.49Å; V717-W723 VanDerWaalsContact CG2-CB 3.49Å; V717-W723 HydrophobicContact CG2-CD2 4.21Å; V717-W723 HydrophobicContact CG2-CE3 4.29Å; V717-W723 HydrophobicContact CG2-CG 3.9Å | ||
| 718 | T | 77.9 | Confident | 84.7 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 6% | 0.055 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -59.5 | -37.6 | -177.1 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | E672 D716 | E672-T718 HydrophobicContact CB-CG2 4.33Å; E672-T718 PolarHBondContact N-OG1 2.76Å; D716-T718 WeakPolarHBondContact OD1-CB 3.46Å; D716-T718 PolarHBondContact OD1-N 3.21Å; D716-T718 PolarHBondContact OD1-OG1 2.81Å; D716-T718 WeakPolarHBondContact OD2-CB 3.37Å |
| 719 | Y | 74.5 | Confident | 84.8 | Confident | 201 Ų | 201 | 37.6 Ų | 37.6 | 79% | 0.788 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -118 | 9.2 | -178.8 | -60.5 | -76.5 | 0 | 0 | 0 | 114.9 | V717 | V717-Y719 VanDerWaalsContact C-N 3.27Å; V717-Y719 PolarHBondContact O-N 2.82Å |
| 720 | E | 81.2 | Confident | 84.7 | Confident | 40 Ų | 40 | 37.3 Ų | 37.3 | 19% | 0.187 | 18% | 0.177 | C | C | . | . | trans | -118.4 | 121.4 | -170.9 | 179 | 55.6 | -87.5 | 0 | 0 | 111.9 | V233 R676 K722 W723 L726 | V233-E720 HydrophobicContact CG2-CB 3.97Å; V233-E720 HydrophobicContact CG2-CG 3.69Å; V233-E720 WeakPolarHBondContact CG2-OE2 3.4Å; R676-E720 PolarHBondContact NH2-O 3.2Å; E720-K722 WeakPolarHBondContact OE1-CB 3.47Å; E720-K722 PolarHBondContact OE1-N 2.92Å; E720-W723 HydrophobicContact CG-CB 4.18Å; E720-L726 HydrophobicContact CG-CD1 3.56Å; E720-L726 WeakPolarHBondContact OE2-CD1 3.35Å | ||
| 721 | D | 80.1 | Confident | 84.7 | Confident | 75 Ų | 75 | 36.8 Ų | 36.8 | 40% | 0.401 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -86.5 | -24.9 | 177 | -80.4 | -57.3 | 0 | 0 | 0 | 112.7 | R676 R683 Y684 | R676-D721 IonicContact CZ-OD1 3.71Å; R676-D721 IonicContact NH1-OD1 2.97Å; R676-D721 PolarHBondContact NH1-OD1 2.74Å; R676-D721 VanDerWaalsContact NH2-CG 3.29Å; R676-D721 IonicContact NH2-OD1 3.36Å; R676-D721 PolarHBondContact NH2-OD1 3.3Å; R676-D721 IonicContact NH2-OD2 2.86Å; R683-D721 IonicContact CZ-OD1 3.61Å; R683-D721 VanDerWaalsContact CZ-OD1 3.27Å; R683-D721 IonicContact NH1-OD1 2.82Å; R683-D721 PolarHBondContact NH1-OD1 2.81Å; R683-D721 IonicContact NH2-OD1 2.73Å; R683-D721 PolarHBondContact NH2-OD1 2.86Å; Y684-D721 PolarHBondContact OH-O 3.23Å |
| 722 | K | 87 | Confident | 84.4 | Confident | 93 Ų | 93 | 36.8 Ų | 36.8 | 40% | 0.404 | 18% | 0.177 | S | C | . | . | trans | -95.5 | 17.3 | -179.6 | -74.4 | 172.2 | 158.4 | -81.9 | 0 | 113.8 | E720 F724 E725 L726 | E720-K722 WeakPolarHBondContact OE1-CB 3.47Å; E720-K722 PolarHBondContact OE1-N 2.92Å; K722-F724 PolarHBondContact O-N 2.98Å; K722-E725 IonicContact NZ-OE1 3.54Å; K722-E725 PolarHBondContact NZ-OE1 3.16Å; K722-E725 IonicContact NZ-OE2 3.43Å; K722-E725 PolarHBondContact NZ-OE2 2.82Å; K722-E725 WeakPolarHBondContact O-CB 3.44Å; K722-E725 PolarHBondContact O-N 3.46Å; K722-L726 PolarHBondContact O-N 2.96Å | ||
| 723 | W | 88.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -49.7 | -32 | -177.3 | 70.4 | -85 | 0 | 0 | 0 | 114.4 | L595 I598 A599 V669 Y684 V717 E720 L727 | L595-W723 HydrophobicContact CB-CH2 4.01Å; L595-W723 HydrophobicContact CB-CZ2 4.4Å; L595-W723 HydrophobicContact CB-CZ3 4.41Å; L595-W723 HydrophobicContact CD1-CD2 4.43Å; L595-W723 HydrophobicContact CD1-CH2 4.37Å; L595-W723 HydrophobicContact CD1-CZ2 4.07Å; I598-W723 HydrophobicContact CG2-CZ2 4.5Å; A599-W723 HydrophobicContact CB-CH2 4.03Å; A599-W723 HydrophobicContact CB-CZ3 3.96Å; V669-W723 HydrophobicContact CG1-CE3 4.1Å; V669-W723 HydrophobicContact CG1-CZ3 4.22Å; Y684-W723 AromaticContact CE2-NE1 3.66Å; Y684-W723 AromaticContact CZ-NE1 3.86Å; V717-W723 HydrophobicContact CB-CB 4.1Å; V717-W723 HydrophobicContact CB-CG 4.31Å; V717-W723 HydrophobicContact CG1-CB 3.59Å; V717-W723 HydrophobicContact CG1-CD2 4.01Å; V717-W723 HydrophobicContact CG1-CG 3.4Å; V717-W723 HydrophobicContact CG2-CB 3.49Å; V717-W723 VanDerWaalsContact CG2-CB 3.49Å; V717-W723 HydrophobicContact CG2-CD2 4.21Å; V717-W723 HydrophobicContact CG2-CE3 4.29Å; V717-W723 HydrophobicContact CG2-CG 3.9Å; E720-W723 HydrophobicContact CG-CB 4.18Å; W723-L727 HydrophobicContact CZ3-CD2 4.16Å; W723-L727 WeakPolarHBondContact O-CB 3.47Å; W723-L727 PolarHBondContact O-N 2.86Å |
| 724 | F | 89.1 | Confident | 84.1 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -76 | -31.3 | 177.6 | -170.1 | -91.6 | 0 | 0 | 0 | 113.4 | Q602 L603 F607 K722 L727 R728 | Q602-F724 HydrophobicContact CB-CD2 4.39Å; Q602-F724 HydrophobicContact CB-CE1 4.46Å; Q602-F724 HydrophobicContact CB-CE2 3.68Å; Q602-F724 HydrophobicContact CB-CZ 3.73Å; Q602-F724 HydrophobicContact CG-CD1 4.24Å; Q602-F724 HydrophobicContact CG-CD2 4.34Å; Q602-F724 HydrophobicContact CG-CE1 3.65Å; Q602-F724 HydrophobicContact CG-CE2 3.77Å; Q602-F724 HydrophobicContact CG-CZ 3.4Å; L603-F724 HydrophobicContact CD2-CE2 4.14Å; L603-F724 HydrophobicContact CD2-CZ 3.65Å; L603-F724 HydrophobicContact CG-CE2 3.92Å; L603-F724 HydrophobicContact CG-CZ 3.78Å; F607-F724 HydrophobicContact CE2-CE1 4.07Å; K722-F724 PolarHBondContact O-N 2.98Å; F724-L727 HydrophobicContact CD2-CD2 3.96Å; F724-L727 HydrophobicContact CE2-CD2 3.99Å; F724-R728 HydrophobicContact CE1-CG 4.08Å; F724-R728 HydrophobicContact CZ-CG 4.43Å; F724-R728 WeakPolarHBondContact O-CG 3.43Å; F724-R728 PolarHBondContact O-N 3.48Å |
| 725 | E | 87.8 | Confident | 84.1 | Confident | 91 Ų | 91 | 39.1 Ų | 39.1 | 43% | 0.425 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.4 | -49.4 | 170.7 | -65.6 | 176.5 | -165.2 | 0 | 0 | 109.3 | Y230 K722 L727 R728 D729 | Y230-E725 PolarHBondContact OH-O 2.96Å; K722-E725 IonicContact NZ-OE1 3.54Å; K722-E725 PolarHBondContact NZ-OE1 3.16Å; K722-E725 IonicContact NZ-OE2 3.43Å; K722-E725 PolarHBondContact NZ-OE2 2.82Å; K722-E725 WeakPolarHBondContact O-CB 3.44Å; K722-E725 PolarHBondContact O-N 3.46Å; E725-L727 PolarHBondContact O-N 2.71Å; E725-R728 PolarHBondContact O-N 3.37Å; E725-D729 PolarHBondContact O-N 3.16Å |
| 726 | L | 84.9 | Confident | 83.8 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 18% | 0.178 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -41.5 | 177.7 | -61.1 | 170 | 0 | 0 | 0 | 112.7 | Y230 V233 E720 K722 R728 D729 L730 | Y230-L726 HydrophobicContact CD1-CD2 3.99Å; Y230-L726 HydrophobicContact CE1-CD2 3.31Å; Y230-L726 HydrophobicContact CE1-CG 4.45Å; Y230-L726 WeakPolarHBondContact OH-CA 3.26Å; V233-L726 HydrophobicContact CG2-CD1 3.44Å; V233-L726 VanDerWaalsContact CG2-CD1 3.44Å; E720-L726 HydrophobicContact CG-CD1 3.56Å; E720-L726 WeakPolarHBondContact OE2-CD1 3.35Å; K722-L726 PolarHBondContact O-N 2.96Å; L726-R728 PolarHBondContact O-N 3.02Å; L726-D729 PolarHBondContact O-N 2.92Å; L726-L730 WeakPolarHBondContact O-CB 3.33Å; L726-L730 PolarHBondContact O-N 2.79Å |
| 727 | L | 89.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56 | -45.5 | 176.3 | 172 | 66 | 0 | 0 | 0 | 112.6 | I591 A599 L603 I667 I715 W723 F724 E725 I731 | I591-L727 HydrophobicContact CD1-CD1 4.3Å; I591-L727 HydrophobicContact CD1-CD2 4.13Å; A599-L727 HydrophobicContact CB-CD2 3.79Å; L603-L727 HydrophobicContact CD1-CD2 4.25Å; I667-L727 HydrophobicContact CB-CD1 4.42Å; I667-L727 HydrophobicContact CD1-CD1 3.77Å; I667-L727 HydrophobicContact CG2-CD1 3.94Å; I715-L727 HydrophobicContact CD1-CB 3.9Å; I715-L727 HydrophobicContact CD1-CD1 3.85Å; I715-L727 HydrophobicContact CD1-CG 4.49Å; W723-L727 HydrophobicContact CZ3-CD2 4.16Å; W723-L727 WeakPolarHBondContact O-CB 3.47Å; W723-L727 PolarHBondContact O-N 2.86Å; F724-L727 HydrophobicContact CD2-CD2 3.96Å; F724-L727 HydrophobicContact CE2-CD2 3.99Å; E725-L727 PolarHBondContact O-N 2.71Å; L727-I731 HydrophobicContact CD1-CD1 4.13Å; L727-I731 HydrophobicContact CG-CD1 4.15Å; L727-I731 WeakPolarHBondContact O-CD1 3.39Å; L727-I731 VanDerWaalsContact O-CG1 3.25Å; L727-I731 WeakPolarHBondContact O-CG1 3.27Å; L727-I731 PolarHBondContact O-N 3.22Å |
| 728 | R | 91 | Very high | 82.9 | Confident | 34 Ų | 34 | 51.7 Ų | 51.7 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | -178.9 | -60.3 | 171.4 | -30.3 | 117.2 | 28.4 | 111.3 | L603 F724 E725 L726 L730 I731 A732 M857 | L603-R728 HydrophobicContact CD2-CG 3.93Å; F724-R728 HydrophobicContact CE1-CG 4.08Å; F724-R728 HydrophobicContact CZ-CG 4.43Å; F724-R728 WeakPolarHBondContact O-CG 3.43Å; F724-R728 PolarHBondContact O-N 3.48Å; E725-R728 PolarHBondContact O-N 3.37Å; L726-R728 PolarHBondContact O-N 3.02Å; R728-L730 VanDerWaalsContact C-N 3.33Å; R728-I731 WeakPolarHBondContact O-CB 3.19Å; R728-I731 PolarHBondContact O-N 2.84Å; R728-A732 PolarHBondContact O-N 2.89Å; R728-M857 HydrophobicContact CB-CE 3.85Å; R728-M857 PolarHBondContact NH1-O 3.38Å; R728-M857 WeakPolarHBondContact O-CE 3.48Å |
| 729 | D | 83.7 | Confident | 83.1 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -79.8 | -26.5 | -172.1 | -56.3 | -2 | 0 | 0 | 0 | 109.6 | Y230 E725 L726 A732 H733 | Y230-D729 HydrophobicContact CE1-CB 4.03Å; Y230-D729 HydrophobicContact CE2-CB 4.08Å; Y230-D729 VanDerWaalsContact CE2-OD2 3.24Å; Y230-D729 WeakPolarHBondContact CE2-OD2 3.36Å; Y230-D729 WeakPolarHBondContact OH-CB 3.45Å; Y230-D729 PolarHBondContact OH-OD2 2.71Å; E725-D729 PolarHBondContact O-N 3.16Å; L726-D729 PolarHBondContact O-N 2.92Å; D729-A732 PolarHBondContact O-N 2.86Å; D729-H733 WeakPolarHBondContact O-CB 3.41Å; D729-H733 PolarHBondContact O-N 2.75Å |
| 730 | L | 80.3 | Confident | 83.5 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 19% | 0.188 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 163.8 | -179 | 62 | 0 | 0 | 0 | 112.3 | I667 A713 I715 L726 R728 A732 H733 L734 | I667-L730 HydrophobicContact CD1-CD2 4.22Å; I667-L730 HydrophobicContact CD1-CG 4.29Å; I667-L730 HydrophobicContact CG2-CD2 4.41Å; A713-L730 HydrophobicContact CB-CD1 4.13Å; A713-L730 HydrophobicContact CB-CD2 3.82Å; A713-L730 HydrophobicContact CB-CG 4.31Å; I715-L730 HydrophobicContact CD1-CD2 3.83Å; I715-L730 HydrophobicContact CG1-CD2 3.66Å; L726-L730 WeakPolarHBondContact O-CB 3.33Å; L726-L730 PolarHBondContact O-N 2.79Å; R728-L730 VanDerWaalsContact C-N 3.33Å; L730-A732 VanDerWaalsContact C-N 3.34Å; L730-A732 PolarHBondContact O-N 3.14Å; L730-H733 PolarHBondContact O-N 3.12Å; L730-L734 HydrophobicContact CD1-CD1 3.94Å; L730-L734 HydrophobicContact CD1-CG 4.03Å; L730-L734 HydrophobicContact CG-CD1 3.82Å; L730-L734 HydrophobicContact CG-CG 4.35Å; L730-L734 WeakPolarHBondContact O-CB 3.47Å; L730-L734 WeakPolarHBondContact O-CG 3.3Å; L730-L734 PolarHBondContact O-N 3.07Å |
| 731 | I | 85.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -46.6 | 171.6 | -71.3 | 161.3 | 0 | 0 | 0 | 110.1 | V589 L603 F611 I665 I667 L727 R728 H733 L734 Q735 | V589-I731 HydrophobicContact CG1-CD1 3.97Å; V589-I731 HydrophobicContact CG1-CG1 4.17Å; V589-I731 HydrophobicContact CG2-CG2 4.06Å; L603-I731 HydrophobicContact CD1-CD1 3.88Å; L603-I731 HydrophobicContact CD2-CD1 4.45Å; F611-I731 HydrophobicContact CE1-CD1 4.37Å; F611-I731 HydrophobicContact CE1-CG2 4.2Å; F611-I731 HydrophobicContact CZ-CD1 4.28Å; F611-I731 HydrophobicContact CZ-CG2 4.24Å; I665-I731 HydrophobicContact CD1-CG2 4.15Å; I665-I731 HydrophobicContact CG2-CG1 4.44Å; I667-I731 HydrophobicContact CD1-CD1 4.4Å; I667-I731 HydrophobicContact CD1-CG1 3.56Å; L727-I731 HydrophobicContact CD1-CD1 4.13Å; L727-I731 HydrophobicContact CG-CD1 4.15Å; L727-I731 WeakPolarHBondContact O-CD1 3.39Å; L727-I731 VanDerWaalsContact O-CG1 3.25Å; L727-I731 WeakPolarHBondContact O-CG1 3.27Å; L727-I731 PolarHBondContact O-N 3.22Å; R728-I731 WeakPolarHBondContact O-CB 3.19Å; R728-I731 PolarHBondContact O-N 2.84Å; I731-H733 PolarHBondContact O-N 3.18Å; I731-L734 PolarHBondContact O-N 3.36Å; I731-Q735 WeakPolarHBondContact O-CB 3.01Å; I731-Q735 PolarHBondContact O-N 2.88Å |
| 732 | A | 82.3 | Confident | 83.9 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 7% | 0.074 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R728 D729 L730 Q735 N736 L854 M857 | R728-A732 PolarHBondContact O-N 2.89Å; D729-A732 PolarHBondContact O-N 2.86Å; L730-A732 VanDerWaalsContact C-N 3.34Å; L730-A732 PolarHBondContact O-N 3.14Å; A732-Q735 PolarHBondContact O-N 2.98Å; A732-N736 PolarHBondContact O-N 2.84Å; A732-N736 PolarHBondContact O-ND2 3.48Å; A732-L854 HydrophobicContact CB-CD2 4.01Å; A732-M857 HydrophobicContact CB-CE 4.46Å |
| 733 | H | 79.3 | Confident | 83.8 | Confident | 95 Ų | 95 | 38.1 Ų | 38.1 | 44% | 0.44 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.9 | -46 | 175.1 | -177.5 | 61.4 | 0 | 0 | 0 | 111.9 | D729 L730 I731 Q735 N736 R737 | D729-H733 WeakPolarHBondContact O-CB 3.41Å; D729-H733 PolarHBondContact O-N 2.75Å; L730-H733 PolarHBondContact O-N 3.12Å; I731-H733 PolarHBondContact O-N 3.18Å; H733-Q735 VanDerWaalsContact C-N 3.32Å; H733-Q735 PolarHBondContact O-N 2.79Å; H733-N736 PolarHBondContact O-N 3.06Å; H733-R737 WeakPolarHBondContact O-CG 3.42Å; H733-R737 PolarHBondContact O-N 2.83Å |
| 734 | L | 81.4 | Confident | 83.3 | Confident | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.7 | -30.7 | 177.4 | -68.8 | 168.3 | 0 | 0 | 0 | 112.2 | R587 I665 I667 A713 L730 I731 | R587-L734 PolarHBondContact NH1-O 2.9Å; I665-L734 HydrophobicContact CD1-CB 4.14Å; I665-L734 HydrophobicContact CG1-CB 4.14Å; I665-L734 HydrophobicContact CG2-CB 4.23Å; I665-L734 HydrophobicContact CG2-CD1 3.81Å; I667-L734 HydrophobicContact CD1-CD1 4.05Å; I667-L734 HydrophobicContact CG1-CD1 4.07Å; A713-L734 HydrophobicContact CB-CD1 3.9Å; L730-L734 HydrophobicContact CD1-CD1 3.94Å; L730-L734 HydrophobicContact CD1-CG 4.03Å; L730-L734 HydrophobicContact CG-CD1 3.82Å; L730-L734 HydrophobicContact CG-CG 4.35Å; L730-L734 WeakPolarHBondContact O-CB 3.47Å; L730-L734 WeakPolarHBondContact O-CG 3.3Å; L730-L734 PolarHBondContact O-N 3.07Å; I731-L734 PolarHBondContact O-N 3.36Å |
| 735 | Q | 86.2 | Confident | 82.3 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.6 | -38.5 | 173.5 | 176.4 | 54.9 | 47.9 | 0 | 0 | 112.4 | F585 L586 R587 H644 I665 I731 A732 H733 | F585-Q735 PolarHBondContact O-NE2 3.25Å; L586-Q735 HydrophobicContact CD2-CG 3.71Å; R587-Q735 VanDerWaalsContact CG-OE1 3.26Å; H644-Q735 PolarHBondContact CE1-OE1 2.94Å; H644-Q735 VanDerWaalsContact CE1-OE1 3.25Å; I665-Q735 HydrophobicContact CD1-CB 4.11Å; I731-Q735 WeakPolarHBondContact O-CB 3.01Å; I731-Q735 PolarHBondContact O-N 2.88Å; A732-Q735 PolarHBondContact O-N 2.98Å; H733-Q735 VanDerWaalsContact C-N 3.32Å; H733-Q735 PolarHBondContact O-N 2.79Å |
| 736 | N | 77.6 | Confident | 81.4 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 34% | 0.337 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -80.7 | -16.1 | -179.6 | -64.5 | -17.6 | 0 | 0 | 0 | 113.5 | A732 H733 | A732-N736 PolarHBondContact O-N 2.84Å; A732-N736 PolarHBondContact O-ND2 3.48Å; H733-N736 PolarHBondContact O-N 3.06Å |
| 737 | R | 73.1 | Confident | 80.1 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 30% | 0.298 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -71.3 | 143 | 176.7 | -81.2 | 178.7 | 175.7 | -128.3 | -1.9 | 111.4 | Q240 H733 | Q240-R737 PolarHBondContact O-NH1 2.63Å; H733-R737 WeakPolarHBondContact O-CG 3.42Å; H733-R737 PolarHBondContact O-N 2.83Å |
| 738 | R | 80.2 | Confident | 78.9 | Confident | 143 Ų | 143 | 58.7 Ų | 58.7 | 54% | 0.54 | 29% | 0.293 | S | S | . | . | trans | -64.9 | 151.5 | 162.2 | -56.1 | -174.2 | -173.9 | -176 | 5 | 109.7 | L580 R581 H582 | L580-R738 HydrophobicContact CD1-CB 4.08Å; L580-R738 HydrophobicContact CD2-CB 4.1Å; L580-R738 HydrophobicContact CG-CB 3.64Å; R581-R738 CarbonylContact O-C 3.56Å; R581-R738 WeakPolarHBondContact O-CA 3.41Å; H582-R738 HydrophobicContact CB-CG 4.42Å | ||
| 739 | V | 81.4 | Confident | 77.4 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.6 | -175 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | L580 R581 C663 M741 | L580-V739 WeakPolarHBondContact CA-O 3.32Å; R581-V739 PolarHBondContact N-O 2.7Å; R581-V739 PolarHBondContact O-N 3.32Å; C663-V739 HydrophobicContact CB-CG1 4.15Å; V739-M741 HydrophobicContact CB-CG 4.37Å; V739-M741 PolarHBondContact O-N 3.41Å; V739-M741 VanDerWaalsContact O-N 3.08Å |
| 740 | W | 83.9 | Confident | 76.7 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 6% | 0.057 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 98.7 | 169.6 | -67.7 | 109.4 | 0 | 0 | 0 | 109.4 | P244 F451 R453 I473 V493 V578 L580 | P244-W740 HydrophobicContact CG-CH2 4.47Å; F451-W740 HydrophobicContact CB-CE3 4.43Å; F451-W740 HydrophobicContact CB-CH2 4.2Å; F451-W740 HydrophobicContact CB-CZ3 3.67Å; F451-W740 AromaticContact CD1-CH2 3.48Å; F451-W740 HydrophobicContact CD1-CH2 3.48Å; F451-W740 VanDerWaalsContact CD1-CH2 3.48Å; F451-W740 HydrophobicContact CD1-CZ2 4.42Å; F451-W740 AromaticContact CD1-CZ3 3.87Å; F451-W740 HydrophobicContact CD1-CZ3 3.87Å; F451-W740 HydrophobicContact CD2-CH2 4.28Å; F451-W740 HydrophobicContact CD2-CZ3 4.09Å; F451-W740 AromaticContact CE1-CH2 3.85Å; F451-W740 HydrophobicContact CE1-CH2 3.85Å; F451-W740 AromaticContact CG-CH2 3.73Å; F451-W740 HydrophobicContact CG-CH2 3.73Å; F451-W740 AromaticContact CG-CZ3 3.61Å; F451-W740 HydrophobicContact CG-CZ3 3.61Å; F451-W740 HydrophobicContact CZ-CH2 4.42Å; R453-W740 PolarHBondContact NH2-O 3.38Å; I473-W740 HydrophobicContact CD1-CB 4.49Å; I473-W740 HydrophobicContact CD1-CG 4.34Å; I473-W740 HydrophobicContact CG1-CG 4.35Å; I473-W740 HydrophobicContact CG2-CD2 4.16Å; I473-W740 HydrophobicContact CG2-CE3 4.39Å; I473-W740 HydrophobicContact CG2-CH2 4.44Å; I473-W740 HydrophobicContact CG2-CZ2 4.21Å; V493-W740 HydrophobicContact CG1-CH2 4.42Å; V493-W740 HydrophobicContact CG1-CZ2 3.86Å; V578-W740 HydrophobicContact CB-CB 4.42Å; V578-W740 HydrophobicContact CB-CE3 4.21Å; V578-W740 HydrophobicContact CG2-CD2 4.42Å; V578-W740 HydrophobicContact CG2-CE3 3.75Å; V578-W740 HydrophobicContact CG2-CZ3 4.39Å; L580-W740 HydrophobicContact CB-CD2 4.19Å; L580-W740 HydrophobicContact CB-CE3 3.96Å; L580-W740 HydrophobicContact CB-CH2 4.05Å; L580-W740 HydrophobicContact CB-CZ2 4.26Å; L580-W740 HydrophobicContact CB-CZ3 3.9Å; L580-W740 HydrophobicContact CD1-CD2 3.88Å; L580-W740 HydrophobicContact CD1-CG 4.01Å; L580-W740 HydrophobicContact CD1-CZ2 4.29Å |
| 741 | M | 83.2 | Confident | 75.8 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 11% | 0.113 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 157.2 | 177.1 | -56.9 | -174.9 | 73.6 | 0 | 0 | 109.7 | V578 Q579 R581 P583 Q661 V739 | V578-M741 CarbonylContact C-O 3.53Å; V578-M741 WeakPolarHBondContact CA-O 3.45Å; V578-M741 WeakPolarHBondContact CB-O 3.23Å; Q579-M741 PolarHBondContact N-O 3.47Å; Q579-M741 PolarHBondContact O-N 2.97Å; R581-M741 HydrophobicContact CB-CG 4.42Å; R581-M741 HydrophobicContact CB-SD 3.98Å; P583-M741 HydrophobicContact CB-SD 4.39Å; Q661-M741 HydrophobicContact CB-CE 4.28Å; V739-M741 HydrophobicContact CB-CG 4.37Å; V739-M741 PolarHBondContact O-N 3.41Å; V739-M741 VanDerWaalsContact O-N 3.08Å |
| 742 | S | 85.6 | Confident | 74.6 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 8% | 0.084 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 146.2 | 174.9 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | E576 T744 | E576-S742 WeakPolarHBondContact OE1-CB 3.29Å; S742-T744 VanDerWaalsContact C-N 3.3Å; S742-T744 VanDerWaalsContact CB-O 3.24Å; S742-T744 WeakPolarHBondContact CB-O 3.44Å; S742-T744 PolarHBondContact OG-N 3.37Å; S742-T744 VanDerWaalsContact OG-N 3.16Å; S742-T744 PolarHBondContact OG-O 3.14Å; S742-T744 PolarHBondContact OG-OG1 2.86Å |
| 743 | E | 85.9 | Confident | 73.9 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 28% | 0.276 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -65.7 | -36.9 | 167.8 | -69.2 | -165 | 145.5 | 0 | 0 | 111.7 | R577 Q579 | R577-E743 HydrophobicContact CB-CB 4.26Å; R577-E743 HydrophobicContact CB-CG 3.94Å; R577-E743 VanDerWaalsContact CB-OE2 3.27Å; R577-E743 WeakPolarHBondContact CB-OE2 3.41Å; R577-E743 WeakPolarHBondContact CD-OE2 3.26Å; R577-E743 PolarHBondContact O-N 3.28Å; Q579-E743 HydrophobicContact CG-CG 3.82Å; Q579-E743 WeakPolarHBondContact CG-OE1 3.25Å; Q579-E743 PolarHBondContact NE2-OE1 2.98Å |
| 744 | T | 76.7 | Confident | 73.7 | Confident | 104 Ų | 104 | 72.4 Ų | 72.4 | 64% | 0.638 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -104.8 | 143.2 | -177.6 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | S742 | S742-T744 VanDerWaalsContact C-N 3.3Å; S742-T744 VanDerWaalsContact CB-O 3.24Å; S742-T744 WeakPolarHBondContact CB-O 3.44Å; S742-T744 PolarHBondContact OG-N 3.37Å; S742-T744 VanDerWaalsContact OG-N 3.16Å; S742-T744 PolarHBondContact OG-O 3.14Å; S742-T744 PolarHBondContact OG-OG1 2.86Å |
| 745 | K | 69.4 | Low | 73.8 | Confident | 186 Ų | 186 | 71.9 Ų | 71.9 | 81% | 0.809 | 36% | 0.363 | S | S | * | . | trans | -71.7 | 147.9 | 166.8 | -63.6 | 176.7 | -177.1 | 173 | 0 | 109.2 | ||||
| 746 | P | 68.4 | Low | 73.5 | Confident | 42 Ų | 42 | 75.7 Ų | 75.7 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | trans | -50.5 | 139.4 | 165.2 | -30.3 | 37.8 | 0 | 0 | 0 | 112.7 | Y659 E748 | Y659-P746 HydrophobicContact CD1-CB 4.18Å; Y659-P746 HydrophobicContact CD1-CG 3.87Å; Y659-P746 HydrophobicContact CE1-CB 3.55Å; Y659-P746 HydrophobicContact CE1-CG 3.74Å; Y659-P746 WeakPolarHBondContact O-CG 3Å; P746-E748 VanDerWaalsContact C-N 3.35Å | ||
| 747 | S | 58.8 | Low | 73.7 | Confident | 113 Ų | 113 | 73.5 Ų | 73.5 | 79% | 0.79 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -77.6 | -22.9 | 168.6 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | ||
| 748 | E | 63.8 | Low | 73.9 | Confident | 127 Ų | 127 | 71 Ų | 71 | 59% | 0.593 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -96.1 | 130.2 | -177.9 | -65.3 | -179.1 | -174.2 | 0 | 0 | 111.5 | P746 L750 | P746-E748 VanDerWaalsContact C-N 3.35Å; E748-L750 PolarHBondContact O-N 2.95Å |
| 749 | L | 59.2 | Low | 73.1 | Confident | 164 Ų | 164 | 66.9 Ų | 66.9 | 86% | 0.859 | 36% | 0.357 | S | S | * | . | trans | -81 | 91.9 | 176.2 | -67 | 175.8 | 0 | 0 | 0 | 110.4 | D751 | L749-D751 PolarHBondContact O-N 2.96Š| ||
| 750 | L | 67.6 | Low | 71.6 | Confident | 26 Ų | 26 | 70.2 Ų | 70.2 | 14% | 0.136 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -71.9 | 19.4 | 176 | -59.8 | -170.1 | 0 | 0 | 0 | 114.5 | I570 L632 Y659 A660 E748 D752 D753 | I570-L750 HydrophobicContact CD1-CD1 4.01Å; L632-L750 HydrophobicContact CD1-CB 3.95Å; L632-L750 WeakPolarHBondContact CD1-O 3.44Å; Y659-L750 HydrophobicContact CD1-CD1 3.6Å; Y659-L750 HydrophobicContact CD1-CG 4.42Å; Y659-L750 HydrophobicContact CE1-CD1 4.04Å; Y659-L750 HydrophobicContact CE1-CG 4.44Å; A660-L750 HydrophobicContact CB-CD1 4.4Å; E748-L750 PolarHBondContact O-N 2.95Å; L750-D752 VanDerWaalsContact C-N 3.35Å; L750-D752 PolarHBondContact O-N 3.13Å; L750-D753 HydrophobicContact CB-CB 4.06Å; L750-D753 HydrophobicContact CD2-CB 4.5Å; L750-D753 VanDerWaalsContact O-CB 3.23Å; L750-D753 WeakPolarHBondContact O-CB 3.45Å; L750-D753 PolarHBondContact O-N 3.44Å |
| 751 | D | 61.5 | Low | 69.3 | Low | 65 Ų | 65 | 73.3 Ų | 73.3 | 35% | 0.348 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -69.1 | -30.6 | -166.4 | -114.3 | 22 | 0 | 0 | 0 | 113.9 | R636 L749 | R636-D751 VanDerWaalsContact CZ-CG 3.42Å; R636-D751 IonicContact CZ-OD1 3.32Å; R636-D751 IonicContact CZ-OD2 3.61Å; R636-D751 IonicContact NE-OD1 3.52Å; R636-D751 VanDerWaalsContact NH1-CG 3.27Å; R636-D751 IonicContact NH1-OD1 3.59Å; R636-D751 PolarHBondContact NH1-OD1 2.92Å; R636-D751 IonicContact NH1-OD2 3.95Å; R636-D751 PolarHBondContact NH1-OD2 2.71Å; R636-D751 IonicContact NH2-OD1 3Å; R636-D751 PolarHBondContact NH2-OD1 2.87Å; R636-D751 IonicContact NH2-OD2 2.71Å; R636-D751 PolarHBondContact NH2-OD2 2.83Å; L749-D751 PolarHBondContact O-N 2.96Å |
| 752 | D | 60.8 | Low | 67.1 | Low | 130 Ų | 130 | 80.8 Ų | 80.8 | 70% | 0.695 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -88.2 | -4.7 | 172 | -76.1 | -52.1 | 0 | 0 | 0 | 113.7 | L750 | L750-D752 VanDerWaalsContact C-N 3.35Å; L750-D752 PolarHBondContact O-N 3.13Å |
| 753 | D | 68.6 | Low | 64.7 | Low | 38 Ų | 38 | 89.5 Ų | 89.5 | 20% | 0.203 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 144.6 | -170.3 | -166.2 | 17.2 | 0 | 0 | 0 | 112.9 | K656 L750 | K656-D753 VanDerWaalsContact CD-OD2 3.25Å; K656-D753 WeakPolarHBondContact CD-OD2 3.42Å; K656-D753 WeakPolarHBondContact CE-OD2 3.17Å; K656-D753 IonicContact NZ-OD1 2.78Å; K656-D753 PolarHBondContact NZ-OD1 3.24Å; K656-D753 IonicContact NZ-OD2 3.05Å; K656-D753 PolarHBondContact NZ-OD2 2.83Å; L750-D753 HydrophobicContact CB-CB 4.06Å; L750-D753 HydrophobicContact CD2-CB 4.5Å; L750-D753 VanDerWaalsContact O-CB 3.23Å; L750-D753 WeakPolarHBondContact O-CB 3.45Å; L750-D753 PolarHBondContact O-N 3.44Å |
| 754 | F | 75.1 | Confident | 62 | Low | 89 Ų | 89 | 90 Ų | 90 | 39% | 0.39 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.3 | -171.5 | -63.3 | -58 | 0 | 0 | 0 | 111.7 | I629 R631 K656 | I629-F754 HydrophobicContact CG2-CB 3.67Å; I629-F754 HydrophobicContact CG2-CD1 3.53Å; I629-F754 HydrophobicContact CG2-CG 3.92Å; R631-F754 HydrophobicContact CG-CD1 4.27Å; R631-F754 HydrophobicContact CG-CE1 4.27Å; K656-F754 PolarHBondContact NZ-O 2.89Å; K656-F754 VanDerWaalsContact NZ-O 3.13Å |
| 755 | L | 82.2 | Confident | 59.8 | Low | 1 Ų | 1 | 90 Ų | 90 | 1% | 0.005 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.1 | 169.5 | -51.6 | -173.3 | 0 | 0 | 0 | 109.6 | I629 V630 L632 I635 I649 K656 L657 | I629-L755 WeakPolarHBondContact CA-O 3.46Å; V630-L755 HydrophobicContact CB-CB 4.19Å; V630-L755 PolarHBondContact N-O 3.04Å; V630-L755 WeakPolarHBondContact O-CB 3.25Å; V630-L755 PolarHBondContact O-N 3.16Å; L632-L755 HydrophobicContact CD2-CD1 3.88Å; L632-L755 HydrophobicContact CD2-CD2 4.23Å; L632-L755 HydrophobicContact CD2-CG 4.15Å; I635-L755 HydrophobicContact CD1-CD1 3.62Å; I649-L755 HydrophobicContact CD1-CD1 4.13Å; I649-L755 HydrophobicContact CG2-CB 4.23Å; K656-L755 HydrophobicContact CB-CD2 3.69Å; K656-L755 HydrophobicContact CD-CD2 3.72Å; K656-L755 HydrophobicContact CG-CD2 4.32Å; L657-L755 HydrophobicContact CD1-CD1 4.14Å; L657-L755 HydrophobicContact CD2-CD1 3.84Å; L657-L755 HydrophobicContact CG-CD1 3.88Å |
| 756 | F | 81.7 | Confident | 57.9 | Low | 87 Ų | 87 | 90.7 Ų | 90.7 | 38% | 0.382 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 136.7 | -176 | -68.5 | -83.8 | 0 | 0 | 0 | 111.4 | I649 T650 S653 | I649-F756 CarbonylContact C-O 3.52Å; I649-F756 WeakPolarHBondContact CA-O 3.34Å; T650-F756 HydrophobicContact CG2-CB 3.97Å; T650-F756 PolarHBondContact N-O 3.36Å; S653-F756 PolarHBondContact OG-N 3.47Å |
| 757 | P | 80.8 | Confident | 56 | Low | 16 Ų | 16 | 92.4 Ų | 92.4 | 10% | 0.104 | 51% | 0.513 | C | S | . | . | B | Isolated β-bridge | trans | -79.8 | 151.1 | 179.5 | 33.1 | -35.5 | 0 | 0 | 0 | 112.5 | G628 D648 N760 | G628-P757 WeakPolarHBondContact O-CB 3.48Å; G628-P757 WeakPolarHBondContact O-CG 3.18Å; D648-P757 CarbonylContact O-C 3.59Å; D648-P757 WeakPolarHBondContact O-CA 3.5Å; P757-N760 HydrophobicContact CB-CB 4.03Å; P757-N760 HydrophobicContact CG-CB 3.8Å |
| 758 | M | 78.4 | Confident | 54.6 | Low | 26 Ų | 26 | 91 Ų | 91 | 13% | 0.128 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -73.9 | -34.4 | 174.4 | -70.6 | -71.7 | -78 | 0 | 0 | 113.7 | I564 Y592 D648 I649 T650 I703 | I564-M758 HydrophobicContact CG2-CE 4.34Å; I564-M758 HydrophobicContact CG2-SD 4.04Å; Y592-M758 HydrophobicContact CD1-CE 4.34Å; Y592-M758 HydrophobicContact CE1-CE 4.14Å; Y592-M758 HydrophobicContact CE1-CG 4.19Å; Y592-M758 HydrophobicContact CE1-SD 4.23Å; D648-M758 PolarHBondContact O-N 3.05Å; D648-M758 WeakPolarHBondContact OD1-CB 3.37Å; I649-M758 VanDerWaalsContact O-CG 3.24Å; I649-M758 WeakPolarHBondContact O-CG 3.2Å; T650-M758 HydrophobicContact CG2-SD 4.27Å; I703-M758 HydrophobicContact CD1-CE 3.59Å |
| 759 | A | 61.8 | Low | 52.9 | Low | 57 Ų | 57 | 88.4 Ų | 88.4 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -112.2 | -2.1 | -162.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | D648 | D648-A759 WeakPolarHBondContact OD2-CB 3.31Š|
| 760 | N | 49.4 | Very low | 51.6 | Low | 95 Ų | 95 | 88.7 Ų | 88.7 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | trans | -111 | 67.7 | -159 | -116.2 | -19.6 | 0 | 0 | 0 | 115.8 | P757 | P757-N760 HydrophobicContact CB-CB 4.03Å; P757-N760 HydrophobicContact CG-CB 3.8Å | ||
| 761 | V | 37.5 | Very low | 50 | Low | 80 Ų | 80 | 92 Ų | 92 | 49% | 0.485 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -132.7 | 130.7 | 134.9 | 178.6 | 0 | 0 | 0 | 0 | 108.2 | W560 Y763 | W560-V761 HydrophobicContact CH2-CG2 3.78Å; W560-V761 HydrophobicContact CZ2-CB 4.42Å; W560-V761 HydrophobicContact CZ2-CG2 3.38Å; V761-Y763 PolarHBondContact O-N 3.16Å; V761-Y763 VanDerWaalsContact O-N 3.13Å |
| 762 | K | 36.5 | Very low | 48.8 | Very low | 180 Ų | 180 | 93.3 Ų | 93.3 | 78% | 0.783 | 56% | 0.558 | S | S | * | * | trans | -57.8 | 116.8 | 172 | -64.6 | 177.9 | -178.9 | 177.3 | 0 | 108.6 | G764 | K762-G764 PolarHBondContact O-N 2.97Š| ||
| 763 | Y | 33.9 | Very low | 47.8 | Very low | 194 Ų | 194 | 92.9 Ų | 92.9 | 76% | 0.761 | 56% | 0.555 | S | S | * | * | trans | -51.3 | 128.2 | 169.4 | -83.3 | -93.3 | 0 | 0 | 0 | 108.4 | V761 S765 | V761-Y763 PolarHBondContact O-N 3.16Å; V761-Y763 VanDerWaalsContact O-N 3.13Å; Y763-S765 PolarHBondContact O-N 2.67Å | ||
| 764 | G | 30.5 | Very low | 46.2 | Very low | 71 Ų | 71 | 95.4 Ų | 95.4 | 73% | 0.732 | 57% | 0.569 | S | S | * | * | trans | -57.3 | 98.2 | -152.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K762 F766 | K762-G764 PolarHBondContact O-N 2.97Å; G764-F766 PolarHBondContact O-N 3.36Å | ||
| 765 | S | 29.6 | Very low | 44.3 | Very low | 103 Ų | 103 | 94.5 Ų | 94.5 | 72% | 0.72 | 57% | 0.574 | S | S | * | * | trans | -76.3 | 34.1 | 172.1 | -172.3 | 0 | 0 | 0 | 0 | 112.6 | Y763 | Y763-S765 PolarHBondContact O-N 2.67Š| ||
| 766 | F | 29.1 | Very low | 42 | Very low | 201 Ų | 201 | 99.8 Ų | 99.8 | 88% | 0.882 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -152.7 | 95.6 | 177.7 | -75 | -64.5 | 0 | 0 | 0 | 111 | G764 | G764-F766 PolarHBondContact O-N 3.36Š|
| 767 | G | 29.5 | Very low | 39.9 | Very low | 77 Ų | 77 | 100.9 Ų | 100.9 | 79% | 0.794 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 96.5 | 115.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 768 | G | 29.1 | Very low | 37.8 | Very low | 83 Ų | 83 | 106.8 Ų | 106.8 | 86% | 0.856 | 65% | 0.651 | S | S | * | * | trans | 82.5 | 112.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 769 | G | 27.3 | Very low | 35.8 | Very low | 74 Ų | 74 | 113.2 Ų | 113.2 | 76% | 0.763 | 68% | 0.681 | S | S | * | * | cis | 102.9 | 68 | 10.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 770 | D | 32.3 | Very low | 34.6 | Very low | 169 Ų | 169 | 115.5 Ų | 115.5 | 90% | 0.904 | 69% | 0.691 | S | S | * | * | trans | -151 | 118 | 157.5 | -94.4 | -34.2 | 0 | 0 | 0 | 106.8 | ||||
| 771 | S | 33.9 | Very low | 33.7 | Very low | 95 Ų | 95 | 118.3 Ų | 118.3 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | trans | -85.3 | 162.6 | 176.2 | 46.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 772 | D | 37.5 | Very low | 33.6 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 50% | 0.497 | 73% | 0.727 | S | S | . | * | -153.1 | 164.2 | 104.5 | -40.5 | -80.1 | 0 | 0 | 0 | 105.4 | R938 | D772-R938 HydrophobicContact CB-CG 4.49Å; D772-R938 VanDerWaalsContact CB-CZ 3.44Å; D772-R938 PolarHBondContact O-NH1 2.83Å; D772-R938 IonicContact OD2-CZ 3.9Å; D772-R938 IonicContact OD2-NE 2.8Å; D772-R938 PolarHBondContact OD2-NE 3.37Å; D772-R938 IonicContact OD2-NH2 2.77Å; D772-R938 PolarHBondContact OD2-NH2 3.25Å | |||
| 773 | L | 40.3 | Very low | 33.5 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 63% | 0.634 | 72% | 0.72 | S | S | * | * | trans | -92.2 | 179.5 | 171.8 | -72.6 | 74.8 | 0 | 0 | 0 | 109.9 | ||||
| 774 | D | 34.7 | Very low | 33.6 | Very low | 92 Ų | 92 | 118 Ų | 118 | 49% | 0.492 | 73% | 0.727 | S | S | . | * | -141.1 | 163.6 | 101.2 | -139.2 | -36.7 | 0 | 0 | 0 | 110.2 | I939 A940 | D774-I939 WeakPolarHBondContact OD2-CA 3.38Å; D774-I939 WeakPolarHBondContact OD2-CG1 3.34Å; D774-A940 HydrophobicContact CB-CB 3.75Å; D774-A940 WeakPolarHBondContact OD2-CB 3.47Å; D774-A940 PolarHBondContact OD2-N 2.97Å | |||
| 775 | S | 33.7 | Very low | 33.6 | Very low | 70 Ų | 70 | 119.9 Ų | 119.9 | 49% | 0.49 | 73% | 0.73 | S | S | . | * | trans | -119.6 | -163.7 | -148.4 | -160.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 776 | T | 35.4 | Very low | 33.9 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | trans | 79.4 | 128.3 | -176.3 | 65.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 777 | T | 37 | Very low | 34.1 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | cis | -156.9 | 149.2 | 3.1 | 12.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 778 | D | 36.3 | Very low | 33.9 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 58.2 | 142.7 | 143.3 | -50.3 | -13.3 | 0 | 0 | 0 | 120.2 | ||||
| 779 | E | 36.1 | Very low | 34 | Very low | 162 Ų | 162 | 137 Ų | 137 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | cis | -155.1 | -175.2 | 1.2 | -114.9 | -66.7 | 76.6 | 0 | 0 | 107.9 | ||||
| 780 | P | 37.9 | Very low | 33.9 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | -119.6 | -170.3 | -125.2 | 43.3 | -28.1 | 0 | 0 | 0 | 117.9 | |||||
| 781 | D | 30.3 | Very low | 33.9 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -62.3 | 159.7 | -169.8 | -81.7 | -55.2 | 0 | 0 | 0 | 118.5 | ||||
| 782 | Y | 35.1 | Very low | 33.7 | Very low | 236 Ų | 236 | 143 Ų | 143 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | trans | -131.7 | 138.1 | 141.3 | -119.9 | -95.2 | 0 | 0 | 0 | 110.3 | ||||
| 783 | G | 33.6 | Very low | 33.3 | Very low | 63 Ų | 63 | 142.5 Ų | 142.5 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | trans | -68.3 | 173.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 784 | T | 35.5 | Very low | 32.8 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | -158.5 | 147.4 | 77.9 | -65.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 785 | S | 31.2 | Very low | 32.5 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -95.2 | 147.1 | -173.8 | -35 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 786 | Q | 36 | Very low | 32.5 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -148.8 | 163.9 | 147.6 | -128.7 | 165.8 | -13.9 | 0 | 0 | 114.3 | ||||
| 787 | R | 33.6 | Very low | 32.1 | Very low | 236 Ų | 236 | 149.5 Ų | 149.5 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | trans | -103 | 135.2 | -142 | -57.9 | 172.6 | -163.4 | -175.2 | 3.3 | 115.5 | ||||
| 788 | R | 26.2 | Very low | 31.8 | Very low | 223 Ų | 223 | 152.9 Ų | 152.9 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | trans | -10.8 | 133.1 | 139.1 | 178.8 | -164.1 | -67.5 | -176.9 | -2.2 | 116.3 | ||||
| 789 | L | 30.7 | Very low | 31.4 | Very low | 170 Ų | 170 | 154.6 Ų | 154.6 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -151.5 | 159.5 | 150.9 | -118.5 | 155.5 | 0 | 0 | 0 | 110.2 | ||||
| 790 | M | 25.2 | Very low | 31.1 | Very low | 168 Ų | 168 | 155.1 Ų | 155.1 | 83% | 0.828 | 83% | 0.828 | S | S | * | * | trans | -143.5 | 135.9 | -171.3 | -65.3 | 173.1 | 65.9 | 0 | 0 | 112.5 | ||||
| 791 | S | 32 | Very low | 30.7 | Very low | 107 Ų | 107 | 156.8 Ų | 156.8 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | trans | -161.3 | 126 | 160.4 | -171.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 792 | Q | 29.4 | Very low | 30.5 | Very low | 189 Ų | 189 | 154 Ų | 154 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | 64.1 | 126.7 | 62.2 | -69.3 | -154.8 | 13.6 | 0 | 0 | 114.8 | |||||
| 793 | G | 28.1 | Very low | 30.4 | Very low | 82 Ų | 82 | 148.2 Ų | 148.2 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | 84.7 | 137.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 794 | S | 31.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 154.2 Ų | 154.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | cis | -142.7 | 171.9 | -5.1 | -168.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 795 | N | 28.2 | Very low | 29.9 | Very low | 142 Ų | 142 | 153 Ų | 153 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | trans | -83.2 | 140.8 | 173.6 | -62.6 | -67.1 | 0 | 0 | 0 | 111.2 | ||||
| 796 | D | 33.2 | Very low | 29.8 | Very low | 169 Ų | 169 | 154.6 Ų | 154.6 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -142.2 | 139.9 | 145.8 | -118.6 | -41.1 | 0 | 0 | 0 | 109.8 | ||||
| 797 | T | 26.9 | Very low | 29.4 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 66% | 0.663 | 81% | 0.807 | S | S | * | * | trans | -129.4 | 96.9 | -162.9 | -56.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 798 | L | 31.9 | Very low | 29.2 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 94% | 0.942 | 80% | 0.798 | S | S | * | * | trans | -101.2 | 128.6 | 166.1 | -76.7 | 170.1 | 0 | 0 | 0 | 111.2 | ||||
| 799 | K | 26.8 | Very low | 29.3 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -91.3 | 128.3 | -174.2 | -57.5 | 167 | -173.6 | 168 | 0 | 109.6 | ||||
| 800 | I | 30.9 | Very low | 29.3 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -119.2 | 118.1 | 156.2 | -60.8 | -178.5 | 0 | 0 | 0 | 106.6 | ||||
| 801 | N | 28.7 | Very low | 29.6 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -80.8 | 143.9 | -176.9 | -65.6 | -30.2 | 0 | 0 | 0 | 110.4 | ||||
| 802 | A | 25.4 | Very low | 29.5 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -111 | 109.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 803 | P | 33.2 | Very low | 29.6 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | trans | -69.3 | 124.5 | 156.4 | 29.8 | -29.3 | 0 | 0 | 0 | 107.3 | ||||
| 804 | Y | 27.7 | Very low | 29.7 | Very low | 189 Ų | 189 | 137 Ų | 137 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | 67.8 | 93.3 | 53.8 | -154.9 | -82.4 | 0 | 0 | 0 | 110 | |||||
| 805 | I | 32.1 | Very low | 29.7 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | 75.5 | 119.9 | 77.9 | -67.5 | 166.7 | 0 | 0 | 0 | 112.2 | |||||
| 806 | D | 28.1 | Very low | 29.7 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | 43.4 | 109.1 | 158.9 | -159.1 | 4.7 | 0 | 0 | 0 | 119.5 | ||||
| 807 | A | 28.9 | Very low | 29.5 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -146.2 | 32.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R809 | A807-R809 PolarHBondContact O-N 3.22Š| ||
| 808 | K | 28.6 | Very low | 29.6 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | trans | -97.5 | 57.4 | 171.5 | -94 | -174.4 | 178 | 174.8 | 0 | 111.8 | D571 | D571-K808 IonicContact OD2-NZ 3.73Å; D571-K808 PolarHBondContact OD2-NZ 2.78Å | ||
| 809 | R | 29.1 | Very low | 29.4 | Very low | 229 Ų | 229 | 134.1 Ų | 134.1 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -158.1 | 147.9 | 166.1 | -113.4 | 164.8 | -167.9 | -174.4 | 2.5 | 114.2 | A807 | A807-R809 PolarHBondContact O-N 3.22Š| ||
| 810 | T | 29 | Very low | 29.5 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | trans | 48.5 | 101.7 | 166.9 | 53.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 811 | L | 32.2 | Very low | 29.2 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 89% | 0.885 | 74% | 0.741 | S | S | * | * | -168.6 | 113.8 | 106.8 | -100.4 | 163.7 | 0 | 0 | 0 | 110.2 | |||||
| 812 | S | 29.6 | Very low | 29.3 | Very low | 60 Ų | 60 | 134.8 Ų | 134.8 | 42% | 0.42 | 75% | 0.745 | S | S | . | * | trans | -87.1 | 164.7 | 163.2 | 57.3 | 0 | 0 | 0 | 0 | 110 | Q1090 | S812-Q1090 PolarHBondContact OG-NE2 3.46Š| ||
| 813 | D | 31.3 | Very low | 29.4 | Very low | 60 Ų | 60 | 135.6 Ų | 135.6 | 32% | 0.321 | 75% | 0.746 | S | S | . | * | trans | 66 | 99.2 | 148 | -72.8 | 26.3 | 0 | 0 | 0 | 119.3 | Q1090 P1091 | D813-Q1090 HydrophobicContact CB-CB 4.09Å; D813-Q1090 HydrophobicContact CB-CG 3.98Å; D813-Q1090 WeakPolarHBondContact OD2-CB 3.33Å; D813-Q1090 VanDerWaalsContact OD2-CG 3.25Å; D813-Q1090 WeakPolarHBondContact OD2-CG 3.41Å; D813-Q1090 PolarHBondContact OD2-NE2 3.45Å; D813-P1091 VanDerWaalsContact CB-O 3.24Å; D813-P1091 WeakPolarHBondContact CB-O 3.44Å; D813-P1091 WeakPolarHBondContact O-CD 3.31Å | ||
| 814 | S | 31.1 | Very low | 29.1 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | trans | -174.4 | 128.2 | 133.5 | -82.1 | 0 | 0 | 0 | 0 | 114.7 | P1091 | S814-P1091 VanDerWaalsContact OG-CD 3.31Å; S814-P1091 WeakPolarHBondContact OG-CD 3.48Å | ||
| 815 | L | 32.1 | Very low | 29.2 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | 63.2 | 117.8 | 148.1 | -64 | 171.1 | 0 | 0 | 0 | 121.1 | ||||
| 816 | S | 28 | Very low | 28.9 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -67.4 | 138.8 | 168.5 | 51.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 817 | S | 28.6 | Very low | 29 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | -169.6 | 140.8 | 128.9 | 45.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 818 | P | 29.2 | Very low | 28.9 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | trans | -89.1 | 146.4 | 178.7 | 35 | -33.3 | 0 | 0 | 0 | 112 | ||||
| 819 | L | 27.2 | Very low | 29.1 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | trans | -171.9 | 136.4 | 154.9 | -108.5 | 164.9 | 0 | 0 | 0 | 113.7 | ||||
| 820 | K | 28.3 | Very low | 29 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | trans | 48.4 | 122.1 | 155.1 | -80.1 | 176.3 | -179.3 | -178.3 | 0 | 121.7 | ||||
| 821 | E | 24.2 | Very low | 29.1 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 142.6 | 150.5 | -53.6 | 171.9 | 130.1 | 0 | 0 | 111.5 | ||
| 822 | P | 32.4 | Very low | 29 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 133.8 | 160.1 | 33.2 | -29.6 | 0 | 0 | 0 | 111 | ||
| 823 | S | 27.4 | Very low | 29.3 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 128 | -172.9 | 54.3 | 0 | 0 | 0 | 0 | 114.5 | T825 | S823-T825 PolarHBondContact O-N 3.39Š|
| 824 | R | 26 | Very low | 29.4 | Very low | 231 Ų | 231 | 144.2 Ų | 144.2 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | 1 | 110.3 | 146.3 | -173.9 | -174.6 | -168.6 | 177 | 3.9 | 116.4 | ||||
| 825 | T | 30.3 | Very low | 29.5 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 83% | 0.828 | 75% | 0.747 | S | S | * | * | trans | -110.2 | 140.8 | 153.8 | 49.4 | 0 | 0 | 0 | 0 | 109.6 | S823 | S823-T825 PolarHBondContact O-N 3.39Š| ||
| 826 | Q | 26.3 | Very low | 29.6 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | trans | -77.9 | 135.3 | -176.9 | -67.5 | 164.5 | -93.1 | 0 | 0 | 112.1 | ||||
| 827 | F | 30 | Very low | 30 | Very low | 204 Ų | 204 | 137.1 Ų | 137.1 | 90% | 0.895 | 72% | 0.717 | S | S | * | * | trans | -133.8 | 106.9 | 142.8 | -105.2 | -91.7 | 0 | 0 | 0 | 106.6 | D829 | F827-D829 PolarHBondContact O-N 2.95Š| ||
| 828 | D | 26.7 | Very low | 30.1 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 52% | 0.519 | 71% | 0.709 | S | S | . | * | trans | -78.1 | 103.4 | 173.7 | -93.9 | -91.1 | 0 | 0 | 0 | 108.4 | R830 | D828-R830 IonicContact OD1-CZ 2.85Å; D828-R830 IonicContact OD1-NE 3.34Å; D828-R830 PolarHBondContact OD1-NE 3.37Å; D828-R830 IonicContact OD1-NH2 3.75Å; D828-R830 PolarHBondContact OD1-NH2 3.03Å | ||
| 829 | D | 32.3 | Very low | 30.2 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | trans | -127 | 80.1 | 163 | -118 | -36.1 | 0 | 0 | 0 | 108.4 | F827 F831 | F827-D829 PolarHBondContact O-N 2.95Å; D829-F831 PolarHBondContact O-N 3.38Å | ||
| 830 | R | 27.5 | Very low | 30.5 | Very low | 205 Ų | 205 | 131.4 Ų | 131.4 | 77% | 0.774 | 68% | 0.675 | S | S | * | * | trans | -81.7 | 107.8 | -180 | -59.3 | -179.8 | -167 | -173.1 | 1.9 | 109.4 | D828 | D828-R830 IonicContact OD1-CZ 2.85Å; D828-R830 IonicContact OD1-NE 3.34Å; D828-R830 PolarHBondContact OD1-NE 3.37Å; D828-R830 IonicContact OD1-NH2 3.75Å; D828-R830 PolarHBondContact OD1-NH2 3.03Å | ||
| 831 | F | 30.8 | Very low | 30.9 | Very low | 190 Ų | 190 | 129 Ų | 129 | 83% | 0.833 | 67% | 0.669 | S | S | * | * | trans | -133.3 | 129 | 167.3 | -99.3 | -79.8 | 0 | 0 | 0 | 113 | D829 L833 | D829-F831 PolarHBondContact O-N 3.38Å; F831-L833 PolarHBondContact O-N 2.9Å | ||
| 832 | D | 29.8 | Very low | 31.2 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 57% | 0.567 | 66% | 0.664 | S | S | * | * | trans | -72 | 96 | -167.5 | -74.2 | -71.3 | 0 | 0 | 0 | 114.2 | A835 N836 | D832-A835 HydrophobicContact CB-CB 4.23Å; D832-N836 PolarHBondContact O-ND2 3.4Å | ||
| 833 | L | 36.4 | Very low | 31 | Very low | 130 Ų | 130 | 121 Ų | 121 | 68% | 0.681 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -104.6 | -25.8 | 166 | -152 | 70.3 | 0 | 0 | 0 | 113.4 | F831 | F831-L833 PolarHBondContact O-N 2.9Š|
| 834 | A | 33.2 | Very low | 31.2 | Very low | 72 Ų | 72 | 123.7 Ų | 123.7 | 60% | 0.595 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -75.7 | -52.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N836 V837 E838 | A834-N836 PolarHBondContact O-N 2.81Å; A834-V837 PolarHBondContact O-N 3.01Å; A834-E838 PolarHBondContact O-N 3.33Å; A834-E838 VanDerWaalsContact O-N 3.08Å |
| 835 | A | 33 | Very low | 31.5 | Very low | 43 Ų | 43 | 120 Ų | 120 | 36% | 0.355 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -58.9 | -36.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D832 V837 E838 A839 | D832-A835 HydrophobicContact CB-CB 4.23Å; A835-V837 PolarHBondContact O-N 2.97Å; A835-E838 PolarHBondContact O-N 3.48Å; A835-A839 WeakPolarHBondContact O-CB 3.13Å; A835-A839 PolarHBondContact O-N 3.29Å |
| 836 | N | 33.7 | Very low | 32.2 | Very low | 93 Ų | 93 | 116.6 Ų | 116.6 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71.8 | 0.1 | 174.3 | -88.9 | -57.3 | 0 | 0 | 0 | 115 | D832 A834 N840 | D832-N836 PolarHBondContact O-ND2 3.4Å; A834-N836 PolarHBondContact O-N 2.81Å; N836-N840 PolarHBondContact O-ND2 3.26Å |
| 837 | V | 35.9 | Very low | 32.8 | Very low | 78 Ų | 78 | 111.2 Ų | 111.2 | 47% | 0.473 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -107.5 | -41.9 | 167 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | A834 A835 N840 I841 | A834-V837 PolarHBondContact O-N 3.01Å; A835-V837 PolarHBondContact O-N 2.97Å; V837-N840 CarbonylContact O-C 3.55Å; V837-N840 PolarHBondContact O-N 3.13Å; V837-I841 HydrophobicContact CG1-CD1 3.79Å; V837-I841 WeakPolarHBondContact O-CB 3.47Å; V837-I841 VanDerWaalsContact O-CG1 3.26Å; V837-I841 WeakPolarHBondContact O-CG1 3.3Å; V837-I841 PolarHBondContact O-N 3.3Å |
| 838 | E | 31.9 | Very low | 33.2 | Very low | 138 Ų | 138 | 109 Ų | 109 | 65% | 0.645 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.7 | -37.3 | 180 | -68.9 | 178.4 | 154.9 | 0 | 0 | 112.7 | A834 A835 N840 I841 A842 | A834-E838 PolarHBondContact O-N 3.33Å; A834-E838 VanDerWaalsContact O-N 3.08Å; A835-E838 PolarHBondContact O-N 3.48Å; E838-N840 VanDerWaalsContact C-N 3.3Å; E838-N840 PolarHBondContact O-N 3.1Å; E838-I841 PolarHBondContact O-N 3.37Å; E838-A842 WeakPolarHBondContact O-CB 3.31Å; E838-A842 PolarHBondContact O-N 3.01Å |
| 839 | A | 30.9 | Very low | 33.8 | Very low | 59 Ų | 59 | 106.1 Ų | 106.1 | 49% | 0.488 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.8 | -29.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A835 G843 | A835-A839 WeakPolarHBondContact O-CB 3.13Å; A835-A839 PolarHBondContact O-N 3.29Å; A839-G843 VanDerWaalsContact O-CA 3.32Å; A839-G843 WeakPolarHBondContact O-CA 3.45Å; A839-G843 PolarHBondContact O-N 2.88Å |
| 840 | N | 33.3 | Very low | 34.2 | Very low | 75 Ų | 75 | 101.7 Ų | 101.7 | 40% | 0.401 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -76.9 | -24.8 | 173 | -78.7 | -23.1 | 0 | 0 | 0 | 112.7 | N836 V837 E838 Y844 | N836-N840 PolarHBondContact O-ND2 3.26Å; V837-N840 CarbonylContact O-C 3.55Å; V837-N840 PolarHBondContact O-N 3.13Å; E838-N840 VanDerWaalsContact C-N 3.3Å; E838-N840 PolarHBondContact O-N 3.1Å; N840-Y844 HydrophobicContact CB-CD2 4.33Å; N840-Y844 WeakPolarHBondContact OD1-CE2 3.28Å |
| 841 | I | 36.1 | Very low | 34.9 | Very low | 137 Ų | 137 | 94.9 Ų | 94.9 | 70% | 0.703 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -79.5 | -31.2 | 172.3 | -72.9 | 166.5 | 0 | 0 | 0 | 111.5 | V837 E838 | V837-I841 HydrophobicContact CG1-CD1 3.79Å; V837-I841 WeakPolarHBondContact O-CB 3.47Å; V837-I841 VanDerWaalsContact O-CG1 3.26Å; V837-I841 WeakPolarHBondContact O-CG1 3.3Å; V837-I841 PolarHBondContact O-N 3.3Å; E838-I841 PolarHBondContact O-N 3.37Å |
| 842 | A | 30.8 | Very low | 35.7 | Very low | 93 Ų | 93 | 88.4 Ų | 88.4 | 77% | 0.769 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -92.6 | -11.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E838 | E838-A842 WeakPolarHBondContact O-CB 3.31Å; E838-A842 PolarHBondContact O-N 3.01Å |
| 843 | G | 27.9 | Very low | 36.7 | Very low | 56 Ų | 56 | 83.6 Ų | 83.6 | 58% | 0.577 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -126.4 | 5.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | A839 | A839-G843 VanDerWaalsContact O-CA 3.32Å; A839-G843 WeakPolarHBondContact O-CA 3.45Å; A839-G843 PolarHBondContact O-N 2.88Å |
| 844 | Y | 32 | Very low | 37.4 | Very low | 168 Ų | 168 | 79.5 Ų | 79.5 | 66% | 0.659 | 45% | 0.454 | S | S | * | . | trans | -118.7 | 93.5 | 178.6 | -84 | -106.3 | 0 | 0 | 0 | 112.2 | N840 N846 | N840-Y844 HydrophobicContact CB-CD2 4.33Å; N840-Y844 WeakPolarHBondContact OD1-CE2 3.28Å; Y844-N846 PolarHBondContact O-N 2.88Å | ||
| 845 | E | 33.5 | Very low | 38.3 | Very low | 154 Ų | 154 | 79 Ų | 79 | 72% | 0.72 | 45% | 0.449 | S | S | * | . | trans | -62.6 | 107 | 167.4 | -65 | -165.2 | 170.3 | 0 | 0 | 109.5 | Q190 R847 | Q190-E845 PolarHBondContact NE2-OE2 3.48Å; E845-R847 PolarHBondContact O-N 3.41Å | ||
| 846 | N | 44.3 | Very low | 39.4 | Very low | 63 Ų | 63 | 78.9 Ų | 78.9 | 34% | 0.337 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 45.1 | -157.5 | -147.8 | -32.7 | 0 | 0 | 0 | 113.9 | G584 Y844 I850 | G584-N846 PolarHBondContact O-ND2 3.04Å; Y844-N846 PolarHBondContact O-N 2.88Å; N846-I850 WeakPolarHBondContact O-CD1 3.26Å; N846-I850 WeakPolarHBondContact O-CG1 3.36Å |
| 847 | R | 38.5 | Very low | 40.5 | Very low | 33 Ų | 33 | 74.8 Ų | 74.8 | 13% | 0.125 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -54.9 | -178.8 | 178.7 | -174.6 | -158.2 | 68.8 | 4.2 | 112.9 | C187 D189 Q190 E845 C849 I850 L851 | C187-R847 PolarHBondContact O-NH2 2.83Å; D189-R847 VanDerWaalsContact C-CZ 3.45Å; D189-R847 VanDerWaalsContact CG-NH1 3.31Å; D189-R847 PolarHBondContact O-NH1 2.86Å; D189-R847 IonicContact OD1-NH2 3.17Å; D189-R847 IonicContact OD2-CZ 3.96Å; D189-R847 IonicContact OD2-NH1 2.63Å; D189-R847 PolarHBondContact OD2-NH1 3.43Å; D189-R847 IonicContact OD2-NH2 3.95Å; D189-R847 PolarHBondContact OD2-NH2 2.81Å; Q190-R847 VanDerWaalsContact CD-CD 3.5Å; Q190-R847 VanDerWaalsContact N-CZ 3.33Å; E845-R847 PolarHBondContact O-N 3.41Å; R847-C849 PolarHBondContact O-N 2.79Å; R847-I850 PolarHBondContact O-N 2.82Å; R847-L851 HydrophobicContact CG-CD1 3.89Å; R847-L851 HydrophobicContact CG-CG 4.3Å; R847-L851 PolarHBondContact O-N 2.79Å |
| 848 | E | 38.2 | Very low | 41.1 | Very low | 157 Ų | 157 | 77.9 Ų | 77.9 | 73% | 0.734 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.8 | -33.7 | -174.9 | -64 | -157.7 | 130.3 | 0 | 0 | 111.3 | L851 S852 | E848-L851 PolarHBondContact O-N 2.8Å; E848-S852 VanDerWaalsContact O-CB 3.23Å; E848-S852 WeakPolarHBondContact O-CB 3.49Å; E848-S852 PolarHBondContact O-N 2.87Å; E848-S852 PolarHBondContact O-OG 2.96Å |
| 849 | C | 39.5 | Very low | 41.6 | Very low | 38 Ų | 38 | 79.4 Ų | 79.4 | 26% | 0.257 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 172.3 | -167 | 0 | 0 | 0 | 0 | 112.3 | N642 R847 S852 H853 | N642-C849 PolarHBondContact ND2-SG 2.82Å; N642-C849 PolarHBondContact OD1-SG 3.24Å; R847-C849 PolarHBondContact O-N 2.79Å; C849-S852 PolarHBondContact O-OG 2.91Å; C849-S852 VanDerWaalsContact O-OG 3.12Å; C849-H853 WeakPolarHBondContact O-CB 3.23Å; C849-H853 PolarHBondContact O-N 3.29Å |
| 850 | I | 40.7 | Very low | 41.9 | Very low | 48 Ų | 48 | 85.3 Ų | 85.3 | 25% | 0.246 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -71 | -43 | 179.4 | -59.5 | 179.8 | 0 | 0 | 0 | 111 | N846 R847 H853 L854 | N846-I850 WeakPolarHBondContact O-CD1 3.26Å; N846-I850 WeakPolarHBondContact O-CG1 3.36Å; R847-I850 PolarHBondContact O-N 2.82Å; I850-H853 PolarHBondContact O-N 3.41Å; I850-L854 HydrophobicContact CG2-CD1 4.19Å; I850-L854 WeakPolarHBondContact O-CB 3.23Å; I850-L854 WeakPolarHBondContact O-CG 3.49Å; I850-L854 PolarHBondContact O-N 2.9Å |
| 851 | L | 41.8 | Very low | 41.6 | Very low | 61 Ų | 61 | 87 Ų | 87 | 32% | 0.319 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.9 | -42.6 | -180 | -66.2 | 179.3 | 0 | 0 | 0 | 112.2 | C187 R847 E848 L854 A855 | C187-L851 HydrophobicContact CB-CD1 4.33Å; C187-L851 HydrophobicContact CB-CD2 3.64Å; R847-L851 HydrophobicContact CG-CD1 3.89Å; R847-L851 HydrophobicContact CG-CG 4.3Å; R847-L851 PolarHBondContact O-N 2.79Å; E848-L851 PolarHBondContact O-N 2.8Å; L851-L854 PolarHBondContact O-N 2.98Å; L851-A855 WeakPolarHBondContact O-CB 3.37Å; L851-A855 PolarHBondContact O-N 3.12Å |
| 852 | S | 48.9 | Very low | 41.4 | Very low | 54 Ų | 54 | 86.3 Ų | 86.3 | 38% | 0.378 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 173.1 | 59 | 0 | 0 | 0 | 0 | 111.7 | E848 C849 A855 T856 | E848-S852 VanDerWaalsContact O-CB 3.23Å; E848-S852 WeakPolarHBondContact O-CB 3.49Å; E848-S852 PolarHBondContact O-N 2.87Å; E848-S852 PolarHBondContact O-OG 2.96Å; C849-S852 PolarHBondContact O-OG 2.91Å; C849-S852 VanDerWaalsContact O-OG 3.12Å; S852-A855 WeakPolarHBondContact O-CB 3.49Å; S852-A855 PolarHBondContact O-N 3.08Å; S852-T856 WeakPolarHBondContact O-CG2 3.31Å; S852-T856 PolarHBondContact O-N 2.99Å |
| 853 | H | 51.2 | Low | 41.4 | Very low | 6 Ų | 6 | 90 Ų | 90 | 3% | 0.028 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -58.7 | -52.1 | 174 | -179.1 | 70.7 | 0 | 0 | 0 | 111.8 | H644 C849 I850 A855 T856 M857 | H644-H853 AromaticContact CD2-CE1 3.36Å; H644-H853 PolarHBondContact CD2-CE1 3.49Å; H644-H853 AromaticContact CD2-NE2 3.9Å; H644-H853 AromaticContact NE2-CE1 3.35Å; H644-H853 PolarHBondContact NE2-CE1 2.93Å; H644-H853 AromaticContact NE2-NE2 3.46Å; H644-H853 PolarHBondContact NE2-NE2 3.04Å; C849-H853 WeakPolarHBondContact O-CB 3.23Å; C849-H853 PolarHBondContact O-N 3.29Å; I850-H853 PolarHBondContact O-N 3.41Å; H853-A855 PolarHBondContact O-N 3.31Å; H853-T856 PolarHBondContact O-N 2.85Å; H853-T856 PolarHBondContact O-OG1 3.21Å; H853-M857 WeakPolarHBondContact O-CG 3.44Å; H853-M857 PolarHBondContact O-N 2.61Å; H853-M857 VanDerWaalsContact O-N 3.12Å |
| 854 | L | 50.3 | Low | 41.7 | Very low | 44 Ų | 44 | 93.8 Ų | 93.8 | 23% | 0.23 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59.3 | -32.4 | 176.7 | -72.1 | 174.6 | 0 | 0 | 0 | 112.9 | A732 I850 L851 M857 | A732-L854 HydrophobicContact CB-CD2 4.01Å; I850-L854 HydrophobicContact CG2-CD1 4.19Å; I850-L854 WeakPolarHBondContact O-CB 3.23Å; I850-L854 WeakPolarHBondContact O-CG 3.49Å; I850-L854 PolarHBondContact O-N 2.9Å; L851-L854 PolarHBondContact O-N 2.98Å; L854-M857 PolarHBondContact O-N 3.44Å |
| 855 | A | 51.5 | Low | 41.8 | Very low | 60 Ų | 60 | 96.7 Ų | 96.7 | 50% | 0.496 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.1 | -39.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | L851 S852 H853 M857 Q858 | L851-A855 WeakPolarHBondContact O-CB 3.37Å; L851-A855 PolarHBondContact O-N 3.12Å; S852-A855 WeakPolarHBondContact O-CB 3.49Å; S852-A855 PolarHBondContact O-N 3.08Å; H853-A855 PolarHBondContact O-N 3.31Å; A855-M857 PolarHBondContact O-N 3.32Å; A855-Q858 PolarHBondContact O-N 2.77Å; A855-Q858 VanDerWaalsContact O-N 3.12Å |
| 856 | T | 57.8 | Low | 41.7 | Very low | 42 Ų | 42 | 99.3 Ų | 99.3 | 26% | 0.258 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -22.2 | 174.9 | 62 | 0 | 0 | 0 | 0 | 113.7 | L609 S852 H853 Q858 | L609-T856 HydrophobicContact CB-CG2 3.87Å; S852-T856 WeakPolarHBondContact O-CG2 3.31Å; S852-T856 PolarHBondContact O-N 2.99Å; H853-T856 PolarHBondContact O-N 2.85Å; H853-T856 PolarHBondContact O-OG1 3.21Å; T856-Q858 VanDerWaalsContact C-N 3.3Å |
| 857 | M | 55 | Low | 41.4 | Very low | 6 Ų | 6 | 102.7 Ų | 102.7 | 3% | 0.03 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -5.9 | 174.3 | -69 | -73.4 | -92.1 | 0 | 0 | 113.5 | F607 A610 F611 R728 A732 H853 L854 A855 | F607-M857 WeakPolarHBondContact CE1-O 3.42Å; A610-M857 HydrophobicContact CB-CG 4.18Å; A610-M857 HydrophobicContact CB-SD 3.69Å; F611-M857 HydrophobicContact CE2-CE 4.11Å; F611-M857 HydrophobicContact CE2-SD 3.45Å; F611-M857 WeakPolarHBondContact CE2-SD 3.22Å; F611-M857 HydrophobicContact CZ-CE 3.84Å; F611-M857 HydrophobicContact CZ-SD 3.71Å; R728-M857 HydrophobicContact CB-CE 3.85Å; R728-M857 PolarHBondContact NH1-O 3.38Å; R728-M857 WeakPolarHBondContact O-CE 3.48Å; A732-M857 HydrophobicContact CB-CE 4.46Å; H853-M857 WeakPolarHBondContact O-CG 3.44Å; H853-M857 PolarHBondContact O-N 2.61Å; H853-M857 VanDerWaalsContact O-N 3.12Å; L854-M857 PolarHBondContact O-N 3.44Å; A855-M857 PolarHBondContact O-N 3.32Å |
| 858 | Q | 50.2 | Low | 41.3 | Very low | 143 Ų | 143 | 110 Ų | 110 | 67% | 0.668 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -96 | 130.2 | 173.8 | -64.3 | -178.9 | 14.7 | 0 | 0 | 110.5 | A855 T856 K860 | A855-Q858 PolarHBondContact O-N 2.77Å; A855-Q858 VanDerWaalsContact O-N 3.12Å; T856-Q858 VanDerWaalsContact C-N 3.3Å; Q858-K860 PolarHBondContact O-N 2.94Å |
| 859 | R | 42.3 | Very low | 41.3 | Very low | 170 Ų | 170 | 108.3 Ų | 108.3 | 64% | 0.642 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 122.1 | 172.4 | -79.7 | -175.4 | 171.6 | 177.8 | -2.9 | 108.8 | D606 F607 | D606-R859 IonicContact OD2-CZ 3.8Å; D606-R859 IonicContact OD2-NH2 3.67Å; D606-R859 PolarHBondContact OD2-NH2 3.17Å; F607-R859 HydrophobicContact CE1-CG 3.76Å; F607-R859 HydrophobicContact CZ-CG 3.78Å |
| 860 | K | 35.6 | Very low | 41.3 | Very low | 184 Ų | 184 | 114.2 Ų | 114.2 | 80% | 0.8 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 137.9 | 163.5 | -75.9 | -174.2 | 175.8 | -179.3 | 0 | 108.8 | Q858 | Q858-K860 PolarHBondContact O-N 2.94Š|
| 861 | P | 27.4 | Very low | 41.5 | Very low | 111 Ų | 111 | 117.1 Ų | 117.1 | 72% | 0.721 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 148.8 | 172 | 27 | -34.2 | 0 | 0 | 0 | 109.7 | L863 | P861-L863 PolarHBondContact O-N 3.11Š|
| 862 | P | 31.8 | Very low | 41.5 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 79% | 0.786 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 133.2 | 179.2 | 25.5 | -33.9 | 0 | 0 | 0 | 110.1 | V864 | P862-V864 PolarHBondContact O-N 2.91Š|
| 863 | L | 31 | Very low | 41.2 | Very low | 172 Ų | 172 | 123.2 Ų | 123.2 | 90% | 0.901 | 65% | 0.652 | S | S | * | * | trans | -63.1 | 103.3 | 174.8 | -82.3 | 166 | 0 | 0 | 0 | 109.4 | P861 R865 | P861-L863 PolarHBondContact O-N 3.11Å; L863-R865 PolarHBondContact O-N 2.97Å; L863-R865 VanDerWaalsContact O-N 3.11Å | ||
| 864 | V | 34.2 | Very low | 40.6 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | trans | -55.1 | 117.9 | 167.8 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | P862 K866 | P862-V864 PolarHBondContact O-N 2.91Å; V864-K866 PolarHBondContact O-N 3.24Å; V864-K866 VanDerWaalsContact O-N 3.11Å | ||
| 865 | R | 33.7 | Very low | 39.8 | Very low | 230 Ų | 230 | 137 Ų | 137 | 87% | 0.868 | 72% | 0.716 | S | S | * | * | trans | -57.7 | 118.9 | 177.9 | -75.4 | 177.9 | 170.2 | 153.7 | -4 | 108.3 | L863 V867 | L863-R865 PolarHBondContact O-N 2.97Å; L863-R865 VanDerWaalsContact O-N 3.11Å; R865-V867 PolarHBondContact O-N 2.96Å | ||
| 866 | K | 32.6 | Very low | 39.1 | Very low | 208 Ų | 208 | 141 Ų | 141 | 90% | 0.904 | 73% | 0.729 | S | S | * | * | trans | -58 | 108.2 | 173.4 | -79.1 | -172.2 | 174.4 | -176.5 | 0 | 108.9 | V864 K868 | V864-K866 PolarHBondContact O-N 3.24Å; V864-K866 VanDerWaalsContact O-N 3.11Å; K866-K868 PolarHBondContact O-N 3.29Å | ||
| 867 | V | 37.7 | Very low | 38 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 131.2 | 162.8 | 179.4 | 0 | 0 | 0 | 0 | 107 | R865 P869 | R865-V867 PolarHBondContact O-N 2.96Å; V867-P869 WeakPolarHBondContact O-CD 3.34Å |
| 868 | K | 36.8 | Very low | 37.3 | Very low | 187 Ų | 187 | 149.5 Ų | 149.5 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 124.4 | -177 | -161.9 | 178.1 | -174.1 | -176.7 | 0 | 108.4 | K866 L870 | K866-K868 PolarHBondContact O-N 3.29Å; K868-L870 PolarHBondContact O-N 3.29Å |
| 869 | P | 37.5 | Very low | 36.6 | Very low | 121 Ų | 121 | 151.4 Ų | 151.4 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 130.8 | 178.3 | -23.5 | 34 | 0 | 0 | 0 | 110.8 | V867 | V867-P869 WeakPolarHBondContact O-CD 3.34Š|
| 870 | L | 39.6 | Very low | 36.2 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 144.3 | 165.2 | -77 | 162.1 | 0 | 0 | 0 | 109 | K868 | K868-L870 PolarHBondContact O-N 3.29Š|
| 871 | P | 44.9 | Very low | 35.9 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 144.4 | 176.1 | 29.5 | -34.4 | 0 | 0 | 0 | 110.4 | ||
| 872 | P | 42.3 | Very low | 36.2 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69 | 135.3 | 176.9 | 28.6 | -33.7 | 0 | 0 | 0 | 110.5 | ||
| 873 | P | 41.3 | Very low | 36.3 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 146 | 168.1 | 29.8 | -33.7 | 0 | 0 | 0 | 109.7 | ||
| 874 | R | 39.2 | Very low | 37 | Very low | 243 Ų | 243 | 142.9 Ų | 142.9 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 159.1 | 171.2 | -72.1 | -178.3 | 172.6 | 178.9 | -3.8 | 110.4 | ||
| 875 | S | 33.1 | Very low | 36.9 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 161.9 | 169 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 876 | D | 36.5 | Very low | 37.2 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | -155.8 | 160.7 | 60 | -71.7 | -41.1 | 0 | 0 | 0 | 115.2 | |||||
| 877 | A | 35.9 | Very low | 37.4 | Very low | 86 Ų | 86 | 137.3 Ų | 137.3 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 67.7 | 140 | 145.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 878 | N | 39.9 | Very low | 37.3 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | 83.1 | 86.8 | 147.8 | -65 | -13.9 | 0 | 0 | 0 | 122.7 | ||||
| 879 | Q | 35.4 | Very low | 37.2 | Very low | 182 Ų | 182 | 138 Ų | 138 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | 82.1 | 158.2 | 121.9 | -71.2 | -170.6 | 11.7 | 0 | 0 | 120.8 | |||||
| 880 | P | 34.2 | Very low | 37 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | -130.8 | -173.9 | -156.5 | 43.3 | -26.1 | 0 | 0 | 0 | 116 | ||||
| 881 | A | 29.5 | Very low | 36.4 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | 96 | 157.8 | 151.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 882 | M | 33.6 | Very low | 35.8 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 90% | 0.901 | 74% | 0.743 | S | S | * | * | trans | 81.4 | 147.1 | 174.3 | -56.2 | -55.3 | 171.5 | 0 | 0 | 119.3 | ||||
| 883 | S | 33.7 | Very low | 35.2 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -139.2 | -152.2 | -169 | 59.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 884 | P | 44.8 | Very low | 34.9 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 59% | 0.591 | 74% | 0.736 | S | S | * | * | cis | -137.5 | -167.7 | -12.8 | 23 | 4.2 | 0 | 0 | 0 | 114.2 | ||||
| 885 | Y | 32.5 | Very low | 34.6 | Very low | 212 Ų | 212 | 134.7 Ų | 134.7 | 83% | 0.831 | 73% | 0.73 | S | S | * | * | trans | 80.8 | 161.4 | 150.7 | -69.8 | -44 | 0 | 0 | 0 | 119.4 | ||||
| 886 | P | 41.2 | Very low | 34.4 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | -145.3 | -173 | -77.4 | 35.5 | -12.3 | 0 | 0 | 0 | 117 | |||||
| 887 | Q | 36.7 | Very low | 34.2 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 65% | 0.654 | 73% | 0.734 | S | S | * | * | 127.2 | 142 | 117.6 | -141.4 | -175 | 75.5 | 0 | 0 | 116.8 | |||||
| 888 | R | 33.8 | Very low | 33.7 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | trans | 72.1 | 132.6 | 167.3 | -51.6 | -177.2 | -170.4 | -158 | -2.5 | 115.4 | ||||
| 889 | Y | 35.2 | Very low | 33 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | cis | -159.8 | 162.9 | -10.4 | -88.6 | -44.4 | 0 | 0 | 0 | 106.8 | ||||
| 890 | Y | 33.5 | Very low | 32.7 | Very low | 193 Ų | 193 | 136 Ų | 136 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | cis | -149.7 | 156.9 | -5 | -125.9 | -58.5 | 0 | 0 | 0 | 107.5 | ||||
| 891 | S | 28 | Very low | 32.2 | Very low | 85 Ų | 85 | 135.7 Ų | 135.7 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | trans | -162.3 | 173.9 | -177.5 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 892 | H | 31.2 | Very low | 32.1 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.866 | 73% | 0.729 | S | S | * | * | trans | 81.8 | 144.1 | 167.2 | -57.9 | -76.8 | 0 | 0 | 0 | 120.6 | ||||
| 893 | G | 30.2 | Very low | 31.9 | Very low | 60 Ų | 60 | 138 Ų | 138 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | trans | 163.1 | 112.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 894 | T | 35.4 | Very low | 31.6 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 82% | 0.816 | 72% | 0.718 | S | S | * | * | trans | 55.9 | 146.7 | 148.6 | 59.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 895 | D | 32.1 | Very low | 30.7 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | cis | -159 | -179.9 | -27.1 | -134.1 | -49.8 | 0 | 0 | 0 | 111.8 | ||||
| 896 | A | 28.4 | Very low | 30.5 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | -69.3 | 163.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 897 | G | 32 | Very low | 30.1 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 72% | 0.724 | S | S | * | * | trans | -159.4 | 136.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 898 | F | 25.7 | Very low | 29.8 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 77% | 0.772 | 73% | 0.729 | S | S | * | * | trans | -139.3 | 160.3 | -169.4 | -126.5 | -84 | 0 | 0 | 0 | 109.9 | ||||
| 899 | Y | 26.1 | Very low | 29.7 | Very low | 198 Ų | 198 | 136 Ų | 136 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | 74 | 115.9 | 163.9 | -66.7 | -62.3 | 0 | 0 | 0 | 121.4 | ||||
| 900 | D | 28.8 | Very low | 29.5 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | 78.5 | 115.6 | 115.9 | -131.4 | 42.4 | 0 | 0 | 0 | 123.7 | |||||
| 901 | V | 24.8 | Very low | 29.4 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 67% | 0.667 | 73% | 0.731 | S | S | * | * | 59.2 | 123.3 | 128.6 | 167.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 902 | K | 26.5 | Very low | 29.5 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 73% | 0.726 | 74% | 0.741 | S | S | * | * | trans | 87.2 | 115.6 | 145.7 | -97.4 | -178.1 | 173.7 | -161.6 | 0 | 123.4 | ||||
| 903 | Q | 29.2 | Very low | 29.5 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 70% | 0.696 | 74% | 0.736 | S | S | * | * | 77.4 | 145.2 | 119.2 | -92.8 | 179.3 | -41.9 | 0 | 0 | 123.8 | |||||
| 904 | V | 27.3 | Very low | 29.9 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 70% | 0.703 | 73% | 0.73 | S | S | * | * | trans | 97.1 | 103.7 | 139.9 | 156 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 905 | L | 27 | Very low | 29.6 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | trans | 72 | 126.9 | 136.2 | -57.8 | -179.6 | 0 | 0 | 0 | 124.9 | ||||
| 906 | E | 27.6 | Very low | 29.5 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | 75.7 | 114.9 | 126.1 | -69.3 | 168 | -179.8 | 0 | 0 | 124.5 | |||||
| 907 | G | 32.9 | Very low | 29.7 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | 89.6 | 163.7 | 135.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 908 | N | 30.5 | Very low | 29.7 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | cis | -173.3 | 179.5 | -24.7 | -119.6 | 9.3 | 0 | 0 | 0 | 109.2 | ||||
| 909 | F | 31.1 | Very low | 30.2 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 68% | 0.684 | 73% | 0.73 | S | S | * | * | trans | 71.2 | 112.6 | 168.5 | -69.1 | -74.6 | 0 | 0 | 0 | 116.2 | ||||
| 910 | E | 31.2 | Very low | 30.6 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | 82.9 | 149.3 | 85.2 | -82.6 | -178.4 | -163.4 | 0 | 0 | 112.4 | |||||
| 911 | D | 31 | Very low | 30.9 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | cis | -158.4 | -178.7 | 18.4 | -156.7 | 0.6 | 0 | 0 | 0 | 113.7 | ||||
| 912 | Y | 29.9 | Very low | 31.3 | Very low | 208 Ų | 208 | 139 Ų | 139 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | trans | 89.8 | 133 | 158.4 | -93.5 | -96.4 | 0 | 0 | 0 | 123.4 | ||||
| 913 | D | 32.2 | Very low | 31.6 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | -126.2 | -159.5 | -178.2 | -162.7 | 21.1 | 0 | 0 | 0 | 106.2 | ||||
| 914 | P | 38.5 | Very low | 31.7 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 49% | 0.494 | 75% | 0.749 | S | S | . | * | cis | -132.6 | -174 | -28.9 | 14.8 | 12.1 | 0 | 0 | 0 | 116 | ||||
| 915 | Q | 28.8 | Very low | 32 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | 100.5 | 140.3 | 127 | -103 | 156.2 | 58.2 | 0 | 0 | 124.8 | |||||
| 916 | F | 30.4 | Very low | 32.1 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | 65.4 | 149.5 | 159.1 | -59.8 | -54.6 | 0 | 0 | 0 | 119.9 | ||||
| 917 | A | 31.4 | Very low | 32.2 | Very low | 89 Ų | 89 | 144.1 Ų | 144.1 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | cis | -164.1 | 160.3 | -20.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 918 | Y | 33.2 | Very low | 32 | Very low | 229 Ų | 229 | 145.7 Ų | 145.7 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -90.5 | 159.5 | 168.4 | -77.5 | -90.3 | 0 | 0 | 0 | 111.9 | ||||
| 919 | P | 36.3 | Very low | 32.1 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | -145.6 | -166.7 | 106.6 | 39.4 | -23.5 | 0 | 0 | 0 | 114.6 | |||||
| 920 | S | 33.6 | Very low | 31.9 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -135.5 | 167.2 | -165.2 | 60.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 921 | G | 34.7 | Very low | 31.9 | Very low | 64 Ų | 64 | 141.9 Ų | 141.9 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | trans | 137.7 | 117.5 | 132.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 922 | V | 33.6 | Very low | 31.8 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | 76 | 145.6 | 129 | -172.1 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 923 | A | 32.4 | Very low | 31.7 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | 108.1 | 143.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 924 | R | 32.9 | Very low | 31.6 | Very low | 210 Ų | 210 | 139.1 Ų | 139.1 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | cis | -170.8 | 164.9 | -30.1 | -141.1 | 178.2 | -169.6 | 177 | 5.2 | 111.2 | ||||
| 925 | R | 31.9 | Very low | 31.4 | Very low | 227 Ų | 227 | 140.9 Ų | 140.9 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | 72.9 | 136.5 | 171.8 | -61.9 | 176.2 | 173 | 149.4 | -3.5 | 115.8 | ||||
| 926 | V | 30.2 | Very low | 31.9 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | cis | 95.2 | 105.8 | 13.2 | -175.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 927 | M | 30.1 | Very low | 31.9 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -166.9 | -170.2 | 145.3 | -85.8 | -121.9 | 177.5 | 0 | 0 | 108 | ||||
| 928 | S | 28.5 | Very low | 31.8 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | -159.4 | 167.3 | -92.3 | -82 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 929 | A | 32.5 | Very low | 31.7 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | 68.3 | 139.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 930 | E | 27.3 | Very low | 31.4 | Very low | 194 Ų | 194 | 132 Ų | 132 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | cis | 91.1 | 154.5 | 33.8 | -72.3 | -163.4 | 130.1 | 0 | 0 | 115.6 | ||||
| 931 | A | 29.8 | Very low | 31.1 | Very low | 91 Ų | 91 | 130.7 Ų | 130.7 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | 77.2 | 110.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 932 | S | 29.1 | Very low | 31 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | 55.5 | 121.7 | 132.9 | 62.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 933 | S | 28.9 | Very low | 30.7 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | 87.6 | 154.7 | 126.5 | 74.4 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 934 | Y | 30 | Very low | 30.7 | Very low | 218 Ų | 218 | 135.6 Ų | 135.6 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | 74.2 | 142.5 | 174.5 | -65 | -82.8 | 0 | 0 | 0 | 119.4 | ||||
| 935 | P | 33.5 | Very low | 30.3 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -92 | 175.9 | -175.6 | 40.9 | -37.8 | 0 | 0 | 0 | 112.4 | ||||
| 936 | P | 39.1 | Very low | 30.3 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | trans | -95.7 | 171.3 | -162.3 | 39.4 | -37.3 | 0 | 0 | 0 | 114.1 | ||||
| 937 | P | 31.8 | Very low | 30.1 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | -106.3 | 173.3 | 145 | 37 | -29.5 | 0 | 0 | 0 | 112 | ||||
| 938 | R | 27.8 | Very low | 30.1 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 53% | 0.532 | 74% | 0.737 | S | S | . | * | trans | -98.7 | 169.7 | 174.3 | -43.6 | -177.7 | -160.1 | 175.1 | 11.1 | 109.9 | D772 | D772-R938 HydrophobicContact CB-CG 4.49Å; D772-R938 VanDerWaalsContact CB-CZ 3.44Å; D772-R938 PolarHBondContact O-NH1 2.83Å; D772-R938 IonicContact OD2-CZ 3.9Å; D772-R938 IonicContact OD2-NE 2.8Å; D772-R938 PolarHBondContact OD2-NE 3.37Å; D772-R938 IonicContact OD2-NH2 2.77Å; D772-R938 PolarHBondContact OD2-NH2 3.25Å | ||
| 939 | I | 32.6 | Very low | 30.1 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | trans | -161.7 | 163.2 | 145.2 | -106.8 | 152.6 | 0 | 0 | 0 | 112 | D774 | D774-I939 WeakPolarHBondContact OD2-CA 3.38Å; D774-I939 WeakPolarHBondContact OD2-CG1 3.34Å | ||
| 940 | A | 28.8 | Very low | 30 | Very low | 46 Ų | 46 | 130 Ų | 130 | 38% | 0.38 | 73% | 0.734 | S | S | . | * | trans | -66.3 | 160 | -163.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | D774 | D774-A940 HydrophobicContact CB-CB 3.75Å; D774-A940 WeakPolarHBondContact OD2-CB 3.47Å; D774-A940 PolarHBondContact OD2-N 2.97Å | ||
| 941 | S | 27.6 | Very low | 30 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | 32.3 | 131.8 | 123.4 | -51.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 942 | G | 32 | Very low | 30 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 81% | 0.814 | 72% | 0.716 | S | S | * | * | trans | -169.9 | 104.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 943 | N | 28.3 | Very low | 30 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | trans | -94.5 | 137.3 | 176.8 | -67.9 | -48.6 | 0 | 0 | 0 | 111 | ||||
| 944 | L | 32.4 | Very low | 29.9 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 89% | 0.885 | 72% | 0.717 | S | S | * | * | trans | -175.8 | 115.4 | 148.8 | -91.2 | 139.1 | 0 | 0 | 0 | 104.8 | ||||
| 945 | S | 25.5 | Very low | 29.9 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | 79.1 | 140.7 | 56.6 | -164.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 946 | T | 30 | Very low | 29.6 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 80% | 0.798 | 71% | 0.712 | S | S | * | * | trans | 62.6 | 150.9 | -175 | 66.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 947 | S | 26.7 | Very low | 29.1 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | cis | 173.1 | 138 | -47.6 | 46.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 948 | Y | 29.4 | Very low | 28.9 | Very low | 200 Ų | 200 | 136 Ų | 136 | 78% | 0.784 | 72% | 0.722 | S | S | * | * | trans | 163.6 | 140.3 | 140.2 | -100.1 | -139.4 | 0 | 0 | 0 | 113.7 | ||||
| 949 | Y | 30.1 | Very low | 29 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | trans | 51.5 | 82.4 | 148.7 | -73 | -106.4 | 0 | 0 | 0 | 121.3 | ||||
| 950 | D | 28.8 | Very low | 28.6 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | -0.7 | 119.2 | 105.1 | -171.6 | 36.6 | 0 | 0 | 0 | 118.1 | |||||
| 951 | N | 28.5 | Very low | 28.4 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | -170.6 | 133.7 | 104.6 | -107.9 | -74.5 | 0 | 0 | 0 | 118.7 | |||||
| 952 | S | 28.7 | Very low | 28.4 | Very low | 88 Ų | 88 | 149.1 Ų | 149.1 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | trans | -18.7 | 150.2 | 154.7 | 69.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 953 | D | 28.9 | Very low | 28.1 | Very low | 126 Ų | 126 | 154.2 Ų | 154.2 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | 60.1 | 136.9 | 128.2 | -91.6 | 17.9 | 0 | 0 | 0 | 126.9 | |||||
| 954 | R | 27.8 | Very low | 27.9 | Very low | 188 Ų | 188 | 157 Ų | 157 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | 77.5 | 116.3 | 136.7 | -69.2 | 164.3 | -172.6 | -139 | -3.8 | 123.6 | N956 | R954-N956 HydrophobicContact CB-CB 4.44Š| ||
| 955 | L | 29 | Very low | 27.6 | Very low | 178 Ų | 178 | 155.4 Ų | 155.4 | 93% | 0.932 | 77% | 0.767 | S | S | * | * | -135.5 | 134.4 | 117.7 | -71.7 | 96.5 | 0 | 0 | 0 | 107.4 | |||||
| 956 | N | 28.8 | Very low | 27.6 | Very low | 102 Ų | 102 | 156.7 Ų | 156.7 | 55% | 0.545 | 77% | 0.774 | S | S | . | * | cis | 91.3 | 117.4 | -0.2 | -137.4 | 48.8 | 0 | 0 | 0 | 118.7 | R954 | R954-N956 HydrophobicContact CB-CB 4.44Š| ||
| 957 | Q | 27.7 | Very low | 27.2 | Very low | 168 Ų | 168 | 160.5 Ų | 160.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 69.8 | 111.9 | 152.8 | -71.9 | 170.1 | -37.5 | 0 | 0 | 122.8 | ||||
| 958 | M | 26.9 | Very low | 27.2 | Very low | 196 Ų | 196 | 162.6 Ų | 162.6 | 97% | 0.966 | 78% | 0.778 | S | S | * | * | trans | -155.1 | 148.9 | 133.6 | -82.5 | -172.5 | 175.3 | 0 | 0 | 107.7 | ||||
| 959 | D | 30.7 | Very low | 27.1 | Very low | 158 Ų | 158 | 157.9 Ų | 157.9 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | cis | -150.7 | 167.7 | -43 | -158.9 | -3.9 | 0 | 0 | 0 | 108.8 | ||||
| 960 | Y | 24.6 | Very low | 26.9 | Very low | 219 Ų | 219 | 155.5 Ų | 155.5 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -127.9 | 78 | -163.6 | -123.5 | -74 | 0 | 0 | 0 | 113.7 | ||||
| 961 | R | 24.4 | Very low | 26.7 | Very low | 255 Ų | 255 | 156.7 Ų | 156.7 | 96% | 0.962 | 78% | 0.782 | S | S | * | * | trans | -178.9 | 112.3 | 158.5 | -108.8 | 158.6 | 173.8 | 161.2 | -2.7 | 114.6 | ||||
| 962 | A | 26.7 | Very low | 26.6 | Very low | 90 Ų | 90 | 154.7 Ų | 154.7 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -168.8 | 153.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 963 | M | 26.3 | Very low | 26.7 | Very low | 186 Ų | 186 | 155.5 Ų | 155.5 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | 49.9 | 83.9 | 161.8 | -67.7 | -176.1 | -74.9 | 0 | 0 | 118.7 | ||||
| 964 | Y | 23.8 | Very low | 26.5 | Very low | 218 Ų | 218 | 155.7 Ų | 155.7 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -79.6 | 162.6 | 140.6 | -119.1 | -96.1 | 0 | 0 | 0 | 109.9 | ||||
| 965 | N | 25.9 | Very low | 26.5 | Very low | 137 Ų | 137 | 154.8 Ų | 154.8 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | 91.2 | 134.2 | 161.1 | -56.8 | -22.8 | 0 | 0 | 0 | 120 | ||||
| 966 | C | 25.1 | Very low | 26.4 | Very low | 123 Ų | 123 | 156.3 Ų | 156.3 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | trans | 66 | 155 | 159.6 | -64.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 967 | R | 23.7 | Very low | 26.2 | Very low | 209 Ų | 209 | 159.5 Ų | 159.5 | 79% | 0.789 | 82% | 0.815 | S | S | * | * | cis | -173 | 153.5 | -37.9 | -139.3 | -175.5 | 155 | 139.8 | 0.3 | 105.7 | ||||
| 968 | D | 24.9 | Very low | 26.3 | Very low | 134 Ų | 134 | 162 Ų | 162 | 72% | 0.717 | 82% | 0.818 | S | S | * | * | trans | 45.3 | 105.6 | 155.5 | -46.8 | -33.4 | 0 | 0 | 0 | 119.9 | ||||
| 969 | A | 28.4 | Very low | 26.4 | Very low | 102 Ų | 102 | 156.5 Ų | 156.5 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -166.3 | 138.5 | 137.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 970 | L | 24.7 | Very low | 26.2 | Very low | 140 Ų | 140 | 156.7 Ų | 156.7 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -96.2 | 176.4 | 164.8 | -87.2 | 92.2 | 0 | 0 | 0 | 110.8 | F1265 | L970-F1265 HydrophobicContact CD2-CE1 4.39Š| ||
| 971 | E | 25.7 | Very low | 26.5 | Very low | 148 Ų | 148 | 157.8 Ų | 157.8 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | trans | 84.2 | 102.3 | 159.8 | -50.5 | -133.9 | 105.8 | 0 | 0 | 118.9 | K1260 | E971-K1260 IonicContact OE1-NZ 2.79Å; E971-K1260 PolarHBondContact OE1-NZ 3.14Å | ||
| 972 | G | 26.6 | Very low | 26.7 | Very low | 83 Ų | 83 | 148.7 Ų | 148.7 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | 83.7 | 93.6 | 110 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 973 | A | 30.7 | Very low | 26.8 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | -152.6 | 150.6 | 145.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 974 | V | 25.1 | Very low | 27 | Very low | 131 Ų | 131 | 150.6 Ų | 150.6 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -112 | 165.7 | 178.8 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 975 | F | 26.1 | Very low | 27.3 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | 98.5 | 138.9 | 158.1 | -86.6 | -74.8 | 0 | 0 | 0 | 121.8 | ||||
| 976 | R | 27.3 | Very low | 27.4 | Very low | 209 Ų | 209 | 145.6 Ų | 145.6 | 79% | 0.789 | 76% | 0.762 | S | S | * | * | trans | 65.8 | 107.4 | 156.8 | -71.4 | 146.1 | -168.3 | -121.8 | -0.7 | 117.1 | ||||
| 977 | Q | 25.9 | Very low | 28.1 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | cis | 68.9 | 94.2 | 46.6 | -164 | -172.8 | 18.8 | 0 | 0 | 114.5 | ||||
| 978 | Y | 28.2 | Very low | 28.5 | Very low | 220 Ų | 220 | 144.6 Ų | 144.6 | 86% | 0.863 | 76% | 0.755 | S | S | * | * | trans | -175.8 | 129.5 | 145 | -83.7 | -66.2 | 0 | 0 | 0 | 105.4 | ||||
| 979 | A | 29 | Very low | 28.6 | Very low | 80 Ų | 80 | 144.7 Ų | 144.7 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | cis | 92.4 | 146.1 | 27.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 980 | F | 26.5 | Very low | 28.7 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | 73.4 | 147.9 | -171.8 | -63.8 | -94.1 | 0 | 0 | 0 | 116 | S982 | F980-S982 WeakPolarHBondContact CD1-OG 3.3Š| ||
| 981 | W | 32 | Very low | 28.8 | Very low | 243 Ų | 243 | 147.7 Ų | 147.7 | 92% | 0.92 | 75% | 0.752 | S | S | * | * | cis | -116.1 | 152 | 2.7 | -66.2 | 60.1 | 0 | 0 | 0 | 111.3 | ||||
| 982 | S | 29 | Very low | 28.9 | Very low | 64 Ų | 64 | 152.2 Ų | 152.2 | 45% | 0.448 | 76% | 0.763 | S | S | . | * | cis | 100.1 | 106.5 | 2 | -47.9 | 0 | 0 | 0 | 0 | 119.1 | F980 | F980-S982 WeakPolarHBondContact CD1-OG 3.3Š| ||
| 983 | V | 28.4 | Very low | 29 | Very low | 109 Ų | 109 | 154.5 Ų | 154.5 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | 81.1 | 123.6 | 130.6 | 176.7 | 0 | 0 | 0 | 0 | 121.8 | V985 | V983-V985 HydrophobicContact CG1-CB 4.08Å; V983-V985 HydrophobicContact CG1-CG2 3.36Å | ||
| 984 | F | 29.5 | Very low | 28.9 | Very low | 206 Ų | 206 | 155 Ų | 155 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | -127.3 | 144.2 | 123 | -89.5 | -102.2 | 0 | 0 | 0 | 107.4 | |||||
| 985 | V | 30.4 | Very low | 29.2 | Very low | 98 Ų | 98 | 154.1 Ų | 154.1 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | cis | 106 | 89 | 12.1 | 160.6 | 0 | 0 | 0 | 0 | 117.5 | V983 | V983-V985 HydrophobicContact CG1-CB 4.08Å; V983-V985 HydrophobicContact CG1-CG2 3.36Å | ||
| 986 | L | 29.1 | Very low | 29.5 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 67.7 | 173.9 | 139.1 | -55.6 | 177.7 | 0 | 0 | 0 | 118.7 | ||||
| 987 | P | 39.6 | Very low | 29.7 | Very low | 99 Ų | 99 | 146.6 Ų | 146.6 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | -135.1 | -162 | -69.7 | 43 | -27.1 | 0 | 0 | 0 | 112.6 | |||||
| 988 | Y | 32.4 | Very low | 30.3 | Very low | 212 Ų | 212 | 143.2 Ų | 143.2 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | trans | 135.8 | 100.6 | 159 | -79.6 | -66.3 | 0 | 0 | 0 | 109.1 | ||||
| 989 | L | 26.6 | Very low | 30.5 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | 76.9 | 89.6 | 56.3 | -166.8 | 95.9 | 0 | 0 | 0 | 114.4 | |||||
| 990 | F | 29.7 | Very low | 30.6 | Very low | 199 Ų | 199 | 141.6 Ų | 141.6 | 87% | 0.873 | 75% | 0.746 | S | S | * | * | trans | -171 | 105.8 | 145.5 | -107.4 | -75.5 | 0 | 0 | 0 | 106.2 | ||||
| 991 | V | 26.7 | Very low | 30.8 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | 72 | 89.3 | 59.9 | -176.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 992 | R | 27.9 | Very low | 30.7 | Very low | 243 Ų | 243 | 130.3 Ų | 130.3 | 92% | 0.917 | 74% | 0.741 | S | S | * | * | trans | 164.8 | 140.6 | 144.7 | -95.2 | 172.6 | 178.4 | -175.2 | -1 | 109.3 | ||||
| 993 | V | 29.5 | Very low | 30.7 | Very low | 130 Ų | 130 | 133 Ų | 133 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | cis | -154.9 | 144.4 | -16.9 | 96.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 994 | C | 27.7 | Very low | 30.8 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -88.1 | 159.8 | 168.7 | -53.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 995 | P | 30.8 | Very low | 30.7 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | -148.4 | 146.8 | 94.4 | 42.4 | -25.5 | 0 | 0 | 0 | 114.4 | |||||
| 996 | V | 33 | Very low | 30.6 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | 67.3 | 119.3 | 102.4 | 179.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 997 | S | 31.6 | Very low | 30.6 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | cis | 69.2 | 174.2 | 40.6 | 90.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 998 | P | 38.7 | Very low | 30.1 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | cis | -132.8 | -147.3 | -16 | 36.1 | -13.8 | 0 | 0 | 0 | 112.3 | ||||
| 999 | T | 32 | Very low | 29.8 | Very low | 128 Ų | 128 | 128 Ų | 128 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 93.3 | 154.2 | 160.6 | 70.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1000 | T | 31.5 | Very low | 29.9 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | cis | -167.6 | 159.5 | -46.8 | -91.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1001 | A | 30.4 | Very low | 30 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -69.8 | 162.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1002 | G | 30 | Very low | 30.1 | Very low | 65 Ų | 65 | 122.5 Ų | 122.5 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | trans | 160.9 | 105.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1003 | S | 29.5 | Very low | 30.3 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | 78 | 116.4 | 60.2 | 77.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1004 | A | 29.7 | Very low | 30.3 | Very low | 93 Ų | 93 | 120 Ų | 120 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 82.7 | 130.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1005 | F | 28.3 | Very low | 30.6 | Very low | 194 Ų | 194 | 123.3 Ų | 123.3 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | 70.5 | 114.6 | 147.3 | -90.1 | -107.6 | 0 | 0 | 0 | 123.2 | ||||
| 1006 | C | 27.3 | Very low | 30.5 | Very low | 97 Ų | 97 | 121.8 Ų | 121.8 | 66% | 0.655 | 77% | 0.765 | S | S | * | * | trans | 57.4 | 128.7 | 130.3 | -68.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1007 | H | 29.7 | Very low | 30.4 | Very low | 183 Ų | 183 | 121.2 Ų | 121.2 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | trans | 72.3 | 120.8 | 146.4 | -88.8 | -87.8 | 0 | 0 | 0 | 121.7 | ||||
| 1008 | A | 28.3 | Very low | 30.3 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | trans | 69.4 | 111 | 134.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1009 | V | 26.5 | Very low | 29.8 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | 52.8 | 125.8 | 127.5 | -169.9 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1010 | N | 29.9 | Very low | 29.7 | Very low | 163 Ų | 163 | 126.1 Ų | 126.1 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | 72.5 | 153.1 | 168.2 | -65.5 | -24.1 | 0 | 0 | 0 | 118 | ||||
| 1011 | G | 31 | Very low | 29.5 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | 126.4 | 112.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1012 | A | 29.3 | Very low | 29.5 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | trans | -109.9 | -170.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1013 | Y | 31.7 | Very low | 29.5 | Very low | 227 Ų | 227 | 128.5 Ų | 128.5 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | 75.6 | 150.2 | -178.7 | -56.7 | -87.9 | 0 | 0 | 0 | 116.2 | ||||
| 1014 | S | 30.3 | Very low | 29.5 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | cis | -172 | 147.8 | -35.3 | 52.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1015 | H | 32.7 | Very low | 29.5 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | 62.4 | 111.8 | 152.1 | -97.4 | -105.1 | 0 | 0 | 0 | 121.9 | ||||
| 1016 | A | 29.8 | Very low | 29.6 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | 71.5 | 147.3 | 120.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1017 | S | 30.4 | Very low | 29.7 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | 69.2 | 152.9 | 157.4 | -76.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1018 | Q | 29.7 | Very low | 29.7 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | cis | -165.9 | 145.5 | -21.6 | -121.6 | -168.5 | -26.7 | 0 | 0 | 109.5 | ||||
| 1019 | V | 27.8 | Very low | 29.9 | Very low | 105 Ų | 105 | 132 Ų | 132 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | 65.7 | 157.2 | 139.2 | 167.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 1020 | Q | 29.9 | Very low | 30.1 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | 69.5 | 150.6 | 164.2 | -85.9 | 169.8 | -69.7 | 0 | 0 | 118 | ||||
| 1021 | Q | 28 | Very low | 30.3 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | cis | -167.1 | 170.9 | -22.2 | -137.5 | 177.4 | -21.1 | 0 | 0 | 109 | ||||
| 1022 | V | 29.8 | Very low | 30.4 | Very low | 122 Ų | 122 | 128 Ų | 128 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | trans | 69.1 | 145.8 | 149.8 | 164.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1023 | S | 30.4 | Very low | 30.6 | Very low | 87 Ų | 87 | 129.6 Ų | 129.6 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | cis | -170.9 | 163.3 | -25.5 | -87.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1024 | T | 29.5 | Very low | 30.9 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | trans | 63.1 | 134.4 | 137.1 | 49.5 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1025 | M | 28.5 | Very low | 31.3 | Very low | 170 Ų | 170 | 125 Ų | 125 | 84% | 0.837 | 74% | 0.743 | S | S | * | * | trans | 71.8 | 149.7 | 141.4 | -56.1 | -96.4 | -88.5 | 0 | 0 | 118 | ||||
| 1026 | G | 31.7 | Very low | 31.4 | Very low | 61 Ų | 61 | 127 Ų | 127 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | cis | -143.9 | 151.9 | -7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1027 | E | 28.4 | Very low | 31.5 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | 57.9 | 121 | 87.3 | -66.9 | -160.1 | 148.9 | 0 | 0 | 116.1 | |||||
| 1028 | C | 30.7 | Very low | 32 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | 175.1 | 126.1 | 125.6 | -91.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1029 | Y | 31.9 | Very low | 32.5 | Very low | 210 Ų | 210 | 131 Ų | 131 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | trans | 44.3 | 120.8 | 145.8 | -57.1 | -63.1 | 0 | 0 | 0 | 122.1 | ||||
| 1030 | S | 31 | Very low | 32.9 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | 98.3 | 156 | 69.3 | -128.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1031 | A | 33.6 | Very low | 33.3 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | cis | -155.5 | 155.1 | 3.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1032 | G | 33.2 | Very low | 33.6 | Very low | 78 Ų | 78 | 130 Ų | 130 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 74.7 | 162.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1033 | S | 34.5 | Very low | 34 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | cis | -161.2 | 132.6 | -18.6 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1034 | T | 36.4 | Very low | 34.2 | Very low | 125 Ų | 125 | 138 Ų | 138 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | trans | -59.5 | 174.8 | 159.6 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1035 | P | 40.1 | Very low | 34.3 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | cis | -162.8 | -172.3 | 39.8 | 37.3 | -9.3 | 0 | 0 | 0 | 121.8 | ||||
| 1036 | R | 35.1 | Very low | 34.8 | Very low | 227 Ų | 227 | 134.7 Ų | 134.7 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | 89.6 | 130.9 | 157.8 | -49.6 | -175.8 | -174.2 | -146 | -2.9 | 117.2 | ||||
| 1037 | R | 31.1 | Very low | 35.1 | Very low | 236 Ų | 236 | 137.6 Ų | 137.6 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | cis | 84.2 | 148.6 | 37.3 | -93.7 | -163.6 | 167.2 | -151.7 | 2.3 | 114.3 | ||||
| 1038 | P | 39.8 | Very low | 35.6 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | -136.6 | -127.7 | -51.7 | 36.8 | -12.8 | 0 | 0 | 0 | 108 | |||||
| 1039 | P | 40.9 | Very low | 36.2 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | cis | -123.7 | -155.9 | -41.7 | 30.3 | -6.6 | 0 | 0 | 0 | 112.4 | ||||
| 1040 | L | 37 | Very low | 36.4 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 78.3 | 140.9 | 164.2 | -54.5 | 169.6 | 0 | 0 | 0 | 116.2 | ||||
| 1041 | V | 37.4 | Very low | 36.7 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | cis | -138.6 | 147.1 | -4.7 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1042 | P | 35.4 | Very low | 36.9 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | -114.7 | 134 | 176.2 | 37.7 | -27.6 | 0 | 0 | 0 | 115.9 | ||||
| 1043 | H | 36.7 | Very low | 36.8 | Very low | 161 Ų | 161 | 138 Ų | 138 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | trans | -163.2 | 153.7 | 166.2 | -94.1 | 5.6 | 0 | 0 | 0 | 108.4 | ||||
| 1044 | R | 34.7 | Very low | 36.5 | Very low | 216 Ų | 216 | 138 Ų | 138 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | cis | -155 | 163.3 | -5.2 | -117.6 | 172.4 | -163.2 | -139.6 | 5.9 | 109.1 | ||||
| 1045 | S | 32.6 | Very low | 36.3 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | trans | -127.6 | 155.3 | -176.1 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1046 | P | 39.3 | Very low | 35.9 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | -101.9 | 120.1 | 141.4 | 32.8 | -24.8 | 0 | 0 | 0 | 109.3 | ||||
| 1047 | V | 36.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | 72.8 | 105.3 | 63.5 | 178.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1048 | P | 39.9 | Very low | 35.7 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 153.8 | 168.6 | 37 | -32.6 | 0 | 0 | 0 | 112.5 | ||
| 1049 | P | 42.6 | Very low | 35.3 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 153.9 | 159.4 | 33.2 | -32.2 | 0 | 0 | 0 | 111.4 | ||
| 1050 | P | 36.8 | Very low | 35.1 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 167 | -168.2 | 37.1 | -37.4 | 0 | 0 | 0 | 114.7 | ||
| 1051 | A | 37.2 | Very low | 34.9 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 153.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1052 | P | 37.8 | Very low | 34.7 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | -102.2 | 118.9 | 119.9 | 29.9 | -32 | 0 | 0 | 0 | 108.8 | |||
| 1053 | R | 30.2 | Very low | 34.4 | Very low | 223 Ų | 223 | 136.1 Ų | 136.1 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | 65.8 | 110.3 | 68.7 | -71.9 | -171.1 | 167.7 | -150.2 | -1.1 | 113.9 | |||||
| 1054 | S | 29.8 | Very low | 34.3 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 72.7 | 158.3 | 158.2 | 93.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1055 | S | 32.1 | Very low | 34.3 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | cis | -146.9 | 157.2 | -1.2 | 13.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1056 | H | 30.6 | Very low | 34.2 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | trans | -49.3 | 164.1 | 173 | -49.3 | -85.3 | 0 | 0 | 0 | 116.3 | ||||
| 1057 | G | 32.6 | Very low | 34 | Very low | 69 Ų | 69 | 128 Ų | 128 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 132.9 | 73.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1058 | N | 30.3 | Very low | 33.7 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | cis | 60.4 | 83.9 | 32.4 | -159.8 | 25.2 | 0 | 0 | 0 | 113.5 | ||||
| 1059 | S | 31.4 | Very low | 33.4 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -171.1 | 141.7 | 164.7 | -81.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1060 | R | 35.6 | Very low | 32.8 | Very low | 223 Ų | 223 | 130.3 Ų | 130.3 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | cis | -155.4 | 120 | -13.4 | -103.1 | -176.8 | 158.7 | 160.4 | -7.5 | 105.2 | ||||
| 1061 | S | 33 | Very low | 32.7 | Very low | 87 Ų | 87 | 135 Ų | 135 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | 63.8 | 95.9 | 81.8 | 80.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1062 | K | 33.8 | Very low | 32.5 | Very low | 207 Ų | 207 | 137.4 Ų | 137.4 | 90% | 0.9 | 78% | 0.779 | S | S | * | * | trans | -156.6 | 115.1 | 145.1 | -89.9 | -175.1 | 179.4 | 178.4 | 0 | 104.8 | ||||
| 1063 | V | 29.5 | Very low | 32.1 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | cis | 67.9 | 85.3 | 8.6 | -168.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1064 | A | 34.9 | Very low | 32.1 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | 164.9 | 137.5 | 148.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1065 | G | 34.4 | Very low | 32.3 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | -130.1 | 170 | -23 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1066 | I | 30.8 | Very low | 32.3 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | cis | 68.5 | 91.7 | 38.6 | -51.9 | 176.1 | 0 | 0 | 0 | 113.4 | ||||
| 1067 | A | 34.3 | Very low | 32.3 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | trans | -169.5 | 131.4 | 133.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1068 | T | 30.9 | Very low | 32.3 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | 53.4 | 139.2 | 70.6 | 29.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1069 | A | 32.6 | Very low | 32.2 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | cis | -147.7 | -170 | 9.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1070 | E | 31.4 | Very low | 32.1 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | trans | -69.8 | 157.5 | -180 | -50.7 | 138.2 | 123.7 | 0 | 0 | 114 | ||||
| 1071 | R | 32.6 | Very low | 32 | Very low | 222 Ų | 222 | 137.8 Ų | 137.8 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | 179.7 | 150.5 | 118 | -101.1 | -178 | 155.1 | 170.6 | -7.1 | 114.3 | |||||
| 1072 | L | 34.4 | Very low | 32 | Very low | 129 Ų | 129 | 138 Ų | 138 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | trans | 34 | 119.4 | 142.5 | -54.4 | 171.8 | 0 | 0 | 0 | 118.7 | ||||
| 1073 | L | 30 | Very low | 32 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | 78.8 | 133 | 64.9 | -81.9 | -179.3 | 0 | 0 | 0 | 115.8 | |||||
| 1074 | A | 29.3 | Very low | 32.2 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 63% | 0.628 | 77% | 0.772 | S | S | * | * | trans | 76.7 | 149.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1075 | E | 33.5 | Very low | 32.1 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | trans | 43.8 | 119.9 | 161.4 | -73.3 | 125.7 | -124.5 | 0 | 0 | 119.3 | ||||
| 1076 | E | 31.9 | Very low | 32.2 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | 87.5 | 147.6 | 59.7 | -76.5 | -162.9 | 146.6 | 0 | 0 | 114.4 | |||||
| 1077 | D | 32 | Very low | 32.2 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | 74.8 | 146.7 | 160.4 | -101.3 | 5.6 | 0 | 0 | 0 | 123.8 | ||||
| 1078 | L | 32.8 | Very low | 32.1 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 52.8 | 108.8 | 155.4 | -57.7 | 168.2 | 0 | 0 | 0 | 118.4 | ||||
| 1079 | S | 27.4 | Very low | 32.2 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | cis | 99.9 | 151.4 | 44.7 | 69.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1080 | E | 29.4 | Very low | 32.3 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 78.7 | 155.1 | 164.7 | -57.3 | -148.8 | 109.9 | 0 | 0 | 120.6 | ||||
| 1081 | L | 33 | Very low | 32.6 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | trans | 62.6 | 138.5 | 163 | -62.1 | 144.9 | 0 | 0 | 0 | 119.5 | ||||
| 1082 | A | 32.3 | Very low | 32.8 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | cis | -169.9 | 141.6 | -29.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1083 | G | 35 | Very low | 32.9 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | 93.3 | 153.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1084 | T | 33.6 | Very low | 33.2 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | cis | -156.6 | 131.2 | -4.5 | -78.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1085 | L | 32.9 | Very low | 33.3 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | trans | 28.8 | 140.5 | 151 | -60.3 | 168.2 | 0 | 0 | 0 | 119.9 | ||||
| 1086 | T | 35.5 | Very low | 33.4 | Very low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | cis | -161.5 | 172 | 37 | 48.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1087 | R | 31.1 | Very low | 33.3 | Very low | 208 Ų | 208 | 131.2 Ų | 131.2 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | cis | -174.9 | 155.6 | -42 | -169 | 177.3 | -174.5 | -166.6 | 4.1 | 107.4 | ||||
| 1088 | C | 31.4 | Very low | 33.4 | Very low | 107 Ų | 107 | 130 Ų | 130 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | trans | 93.5 | 131.4 | 169.4 | -60.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1089 | K | 34.1 | Very low | 33.4 | Very low | 177 Ų | 177 | 128.5 Ų | 128.5 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | cis | -160.8 | 159.4 | -19.1 | -133.4 | 177.8 | -179.9 | -172.9 | 0 | 109.8 | ||||
| 1090 | Q | 34.3 | Very low | 33.7 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 61% | 0.607 | 75% | 0.751 | S | S | * | * | trans | -142.6 | 148.6 | 179.1 | -88.9 | -168 | -52.3 | 0 | 0 | 110.2 | S812 D813 | S812-Q1090 PolarHBondContact OG-NE2 3.46Å; D813-Q1090 HydrophobicContact CB-CB 4.09Å; D813-Q1090 HydrophobicContact CB-CG 3.98Å; D813-Q1090 WeakPolarHBondContact OD2-CB 3.33Å; D813-Q1090 VanDerWaalsContact OD2-CG 3.25Å; D813-Q1090 WeakPolarHBondContact OD2-CG 3.41Å; D813-Q1090 PolarHBondContact OD2-NE2 3.45Å | ||
| 1091 | P | 38.8 | Very low | 33.7 | Very low | 49 Ų | 49 | 134 Ų | 134 | 32% | 0.318 | 76% | 0.756 | S | S | . | * | -148.9 | 164.1 | 128.4 | 40.6 | -26.4 | 0 | 0 | 0 | 116.6 | D813 S814 | D813-P1091 VanDerWaalsContact CB-O 3.24Å; D813-P1091 WeakPolarHBondContact CB-O 3.44Å; D813-P1091 WeakPolarHBondContact O-CD 3.31Å; S814-P1091 VanDerWaalsContact OG-CD 3.31Å; S814-P1091 WeakPolarHBondContact OG-CD 3.48Å | |||
| 1092 | P | 36.4 | Very low | 33.6 | Very low | 116 Ų | 116 | 130 Ų | 130 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | cis | -140 | 175.3 | -38.4 | 39.7 | -23 | 0 | 0 | 0 | 114 | ||||
| 1093 | I | 36.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | trans | -108.9 | 157.8 | 171.6 | -14.3 | 172.7 | 0 | 0 | 0 | 111.1 | V1095 | I1093-V1095 HydrophobicContact CB-CG2 3.93Å; I1093-V1095 HydrophobicContact CD1-CG2 4.12Å; I1093-V1095 HydrophobicContact CG2-CG2 3.78Å | ||
| 1094 | P | 36.5 | Very low | 33.2 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | -141 | 133.2 | 111.5 | 35.7 | -22.5 | 0 | 0 | 0 | 111.8 | |||||
| 1095 | V | 31.7 | Very low | 32.9 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 57% | 0.57 | 76% | 0.759 | S | S | * | * | cis | 64.2 | 103.6 | 43.7 | -170.3 | 0 | 0 | 0 | 0 | 114.3 | I1093 R1097 | I1093-V1095 HydrophobicContact CB-CG2 3.93Å; I1093-V1095 HydrophobicContact CD1-CG2 4.12Å; I1093-V1095 HydrophobicContact CG2-CG2 3.78Å; V1095-R1097 HydrophobicContact CG1-CG 3.93Å | ||
| 1096 | A | 33.7 | Very low | 32.8 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | -120.5 | 140.2 | 144.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1097 | R | 30.9 | Very low | 32.6 | Very low | 226 Ų | 226 | 134.4 Ų | 134.4 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -127.2 | 128.6 | -172.4 | -85.1 | 175.2 | 166 | -177.7 | -4.3 | 111.8 | V1095 | V1095-R1097 HydrophobicContact CG1-CG 3.93Š| ||
| 1098 | S | 34.1 | Very low | 32.6 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | 177.9 | 115.4 | 139.7 | 48.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1099 | S | 31.7 | Very low | 32.7 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | cis | 68.8 | 95.2 | 47.3 | -172.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1100 | L | 33.7 | Very low | 32.6 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | -163.2 | 166.8 | 120 | -104.7 | 163.3 | 0 | 0 | 0 | 111 | |||||
| 1101 | K | 30.3 | Very low | 32.6 | Very low | 207 Ų | 207 | 124.5 Ų | 124.5 | 90% | 0.9 | 76% | 0.76 | S | S | * | * | trans | -93.2 | 146.4 | -177.7 | -59.9 | 168.6 | -176.3 | 168.1 | 0 | 110.1 | ||||
| 1102 | G | 30.6 | Very low | 32.3 | Very low | 79 Ų | 79 | 127 Ų | 127 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | -166.2 | 105.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1103 | S | 28.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -89.5 | 131.1 | 161.8 | 177.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1104 | L | 30.6 | Very low | 32.2 | Very low | 160 Ų | 160 | 127 Ų | 127 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -154.2 | 144 | 159.9 | -110.1 | 173.3 | 0 | 0 | 0 | 110.8 | ||||
| 1105 | T | 27.7 | Very low | 32.2 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | -104.7 | -170.6 | 172 | 48.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1106 | L | 31.6 | Very low | 32.6 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | 75.1 | 160.4 | 172.6 | -52.7 | 167.1 | 0 | 0 | 0 | 115.5 | ||||
| 1107 | S | 30.2 | Very low | 33.1 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | cis | -163.6 | -174.4 | -40 | 55.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1108 | A | 31.9 | Very low | 33.3 | Very low | 83 Ų | 83 | 124.8 Ų | 124.8 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | trans | -104.6 | 157.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1109 | S | 32 | Very low | 33.4 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 81 | 163.9 | 134.3 | 69.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 1110 | V | 32.9 | Very low | 33.5 | Very low | 122 Ų | 122 | 123.4 Ų | 123.4 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | trans | 81.8 | 98.7 | 165.5 | -171.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1111 | S | 33.9 | Very low | 33.5 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | 90.8 | 165.1 | 75.3 | 100.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 1112 | S | 33.7 | Very low | 33.6 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | cis | -173.7 | 147.1 | -4.7 | 34.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1113 | S | 33.5 | Very low | 33.8 | Very low | 123 Ų | 123 | 121.1 Ų | 121.1 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -167.7 | 120.4 | 147.1 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1114 | T | 35.9 | Very low | 33.9 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -87.9 | 172.3 | 164.4 | 2.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1115 | P | 38 | Very low | 34.1 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | cis | -145.4 | 171.8 | 46.3 | 40.9 | -19.9 | 0 | 0 | 0 | 119.1 | ||||
| 1116 | P | 38.7 | Very low | 34.3 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | trans | -105.1 | -154.8 | 167 | 46 | -36.8 | 0 | 0 | 0 | 109.9 | ||||
| 1117 | P | 43.7 | Very low | 34.4 | Very low | 102 Ų | 102 | 120 Ų | 120 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | cis | -131.8 | -167.9 | -12.2 | 43.6 | -26.9 | 0 | 0 | 0 | 114.2 | ||||
| 1118 | H | 37 | Very low | 34.4 | Very low | 172 Ų | 172 | 120.7 Ų | 120.7 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 132.6 | 146.9 | 158.1 | -82.2 | -76.7 | 0 | 0 | 0 | 111.7 | ||||
| 1119 | V | 35.7 | Very low | 34.5 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | cis | -168.9 | 161.2 | -30.7 | 117 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1120 | A | 33.4 | Very low | 34.4 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | trans | 70.8 | 114.9 | 163 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1121 | E | 33.3 | Very low | 34.5 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | 78.4 | 108 | 115.7 | -67.8 | 178.2 | -158.8 | 0 | 0 | 124.6 | |||||
| 1122 | T | 33.1 | Very low | 34.5 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | 96.1 | 139.7 | 107.2 | -58.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1123 | T | 34.9 | Very low | 34.9 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | 65.8 | 100.8 | 163.8 | 40.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1124 | S | 31.1 | Very low | 35 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | 65 | 151.9 | 101 | -160 | 0 | 0 | 0 | 0 | 123 | |||||
| 1125 | S | 34.2 | Very low | 35.4 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | 93.7 | 85.1 | 149.4 | -54.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1126 | T | 31.9 | Very low | 35.3 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | 38.7 | 114.3 | 117.2 | -47.6 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1127 | M | 33.7 | Very low | 35.2 | Very low | 191 Ų | 191 | 129.2 Ų | 129.2 | 94% | 0.941 | 76% | 0.757 | S | S | * | * | -158.8 | 145.2 | 126.1 | -122.3 | -177 | 172.8 | 0 | 0 | 113.9 | |||||
| 1128 | T | 30 | Very low | 35 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -109.1 | 130.1 | 178.5 | 50.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1129 | V | 34.5 | Very low | 35.1 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | trans | -140.1 | 154.8 | 153.1 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1130 | K | 30.2 | Very low | 35.3 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | trans | -86.7 | -176.2 | -168.6 | -54.5 | 156.3 | 73.3 | -152.8 | 0 | 112.8 | ||||
| 1131 | E | 34.2 | Very low | 35.5 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | 89.7 | 89.6 | 143.7 | -83 | 150.5 | -133.2 | 0 | 0 | 120.9 | ||||
| 1132 | A | 34.8 | Very low | 35.7 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | 92.2 | 152.8 | 110.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1133 | P | 42 | Very low | 35.8 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | -115.8 | 171 | -163.2 | 42.5 | -32.1 | 0 | 0 | 0 | 114.5 | ||||
| 1134 | I | 34.2 | Very low | 36 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -147.2 | 145.9 | 151.9 | -99.9 | 143 | 0 | 0 | 0 | 108.9 | ||||
| 1135 | P | 44.6 | Very low | 36.1 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | trans | -110.7 | -143.3 | -171.1 | 44.3 | -35.4 | 0 | 0 | 0 | 112.7 | ||||
| 1136 | D | 35.7 | Very low | 35.9 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | 78.7 | 144 | 170.3 | -73.7 | -18.5 | 0 | 0 | 0 | 117.8 | ||||
| 1137 | A | 37.2 | Very low | 36 | Very low | 77 Ų | 77 | 142.9 Ų | 142.9 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | cis | -165.4 | -172.3 | -10 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1138 | D | 38.6 | Very low | 35.9 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | trans | 81.6 | 136.7 | 157.4 | -91.4 | 32.2 | 0 | 0 | 0 | 120.3 | ||||
| 1139 | R | 39.8 | Very low | 35.9 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 69% | 0.694 | 72% | 0.723 | S | S | * | * | cis | -173.4 | 168.7 | -22.3 | -131 | -174.8 | -154.1 | 127.1 | -3 | 112.6 | ||||
| 1140 | N | 40.2 | Very low | 35.6 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 54% | 0.54 | 71% | 0.71 | S | S | . | * | trans | 69.4 | 154.1 | 150.7 | -68.2 | -38.7 | 0 | 0 | 0 | 117.7 | ||||
| 1141 | R | 37.2 | Very low | 35.6 | Very low | 210 Ų | 210 | 138.4 Ų | 138.4 | 79% | 0.792 | 72% | 0.716 | S | S | * | * | cis | -165.7 | 151.8 | -8.5 | -100.7 | 157 | -160.5 | 167.3 | 1.6 | 105.7 | ||||
| 1142 | R | 37.8 | Very low | 35.3 | Very low | 228 Ų | 228 | 135.5 Ų | 135.5 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | cis | -124.6 | 178.2 | 0 | -59.3 | -179.8 | 163.7 | 113.9 | -8.7 | 108.4 | ||||
| 1143 | R | 35.1 | Very low | 35.2 | Very low | 224 Ų | 224 | 139.3 Ų | 139.3 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | cis | 75.7 | 154.6 | 20.1 | -82.7 | -153.2 | 178.9 | -153.1 | 2.4 | 116.2 | ||||
| 1144 | P | 39.3 | Very low | 34.6 | Very low | 86 Ų | 86 | 136.5 Ų | 136.5 | 56% | 0.558 | 71% | 0.712 | S | S | * | * | cis | -157.3 | -170.3 | -33.1 | 45.3 | -26.7 | 0 | 0 | 0 | 118.3 | ||||
| 1145 | L | 32.5 | Very low | 34.7 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 72% | 0.723 | 72% | 0.716 | S | S | * | * | trans | 69 | 153 | 152.9 | -58.6 | -178.3 | 0 | 0 | 0 | 117.6 | ||||
| 1146 | E | 31.1 | Very low | 34.2 | Very low | 156 Ų | 156 | 137 Ų | 137 | 73% | 0.729 | 72% | 0.717 | S | S | * | * | cis | -164.5 | -173.9 | -11.8 | -120.9 | -178.9 | 121.8 | 0 | 0 | 109.5 | ||||
| 1147 | A | 33.6 | Very low | 34 | Very low | 62 Ų | 62 | 138.8 Ų | 138.8 | 51% | 0.512 | 71% | 0.712 | S | S | . | * | cis | -164.4 | 160.5 | -3.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1148 | Q | 31.8 | Very low | 33.9 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | trans | 60.3 | 161.4 | 151.3 | -69.8 | 162.9 | 30.2 | 0 | 0 | 118.5 | ||||
| 1149 | S | 29.4 | Very low | 33.6 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | cis | -162.8 | 167.2 | -28.3 | 56.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1150 | S | 28.1 | Very low | 33.4 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | trans | 51.2 | 130.5 | 145.4 | 57.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1151 | E | 30.5 | Very low | 33 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | 69.8 | 160.3 | 145.9 | -67.2 | 170.9 | -164.4 | 0 | 0 | 119.5 | ||||
| 1152 | S | 27.7 | Very low | 32.7 | Very low | 87 Ų | 87 | 136.1 Ų | 136.1 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | cis | -165.2 | 164.3 | -34.1 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1153 | L | 32.2 | Very low | 32.6 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 92% | 0.916 | 74% | 0.737 | S | S | * | * | trans | 65.4 | 147.1 | 166.6 | -53.1 | 171.1 | 0 | 0 | 0 | 118 | ||||
| 1154 | G | 30.2 | Very low | 32.3 | Very low | 62 Ų | 62 | 127.4 Ų | 127.4 | 64% | 0.639 | 73% | 0.729 | S | S | * | * | cis | 169.5 | 168 | -10 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1155 | L | 35.3 | Very low | 32 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 94% | 0.937 | 75% | 0.746 | S | S | * | * | trans | 70 | 144.9 | 167.2 | -51.1 | 176.6 | 0 | 0 | 0 | 117.5 | ||||
| 1156 | S | 35.5 | Very low | 31.7 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | -164.4 | 128.6 | -12.7 | 42.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1157 | R | 31.9 | Very low | 31.8 | Very low | 191 Ų | 191 | 132.1 Ų | 132.1 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | 83.2 | 109.4 | 60.4 | -174.8 | -173 | -178 | 160.2 | 9.1 | 114.2 | E1159 | R1157-E1159 HydrophobicContact CG-CG 4.2Å; R1157-E1159 IonicContact CZ-OE1 3Å; R1157-E1159 VanDerWaalsContact CZ-OE1 3.32Å; R1157-E1159 IonicContact CZ-OE2 3.01Å; R1157-E1159 IonicContact NE-OE1 2.72Å; R1157-E1159 PolarHBondContact NE-OE1 3.34Å; R1157-E1159 VanDerWaalsContact NE-OE1 3.12Å; R1157-E1159 IonicContact NE-OE2 2.75Å; R1157-E1159 PolarHBondContact NE-OE2 3.03Å; R1157-E1159 IonicContact NH2-OE1 3.83Å; R1157-E1159 PolarHBondContact NH2-OE1 3.01Å; R1157-E1159 IonicContact NH2-OE2 3.04Å | |||
| 1158 | L | 33.7 | Very low | 31.5 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -174.7 | 110.7 | 141.6 | -94.6 | 145.6 | 0 | 0 | 0 | 105.3 | ||||
| 1159 | E | 33.7 | Very low | 31.4 | Very low | 121 Ų | 121 | 134 Ų | 134 | 57% | 0.565 | 76% | 0.761 | S | S | * | * | 71.8 | 140.1 | 55.9 | -65.6 | -176.5 | 132.9 | 0 | 0 | 113.7 | R1157 | R1157-E1159 HydrophobicContact CG-CG 4.2Å; R1157-E1159 IonicContact CZ-OE1 3Å; R1157-E1159 VanDerWaalsContact CZ-OE1 3.32Å; R1157-E1159 IonicContact CZ-OE2 3.01Å; R1157-E1159 IonicContact NE-OE1 2.72Å; R1157-E1159 PolarHBondContact NE-OE1 3.34Å; R1157-E1159 VanDerWaalsContact NE-OE1 3.12Å; R1157-E1159 IonicContact NE-OE2 2.75Å; R1157-E1159 PolarHBondContact NE-OE2 3.03Å; R1157-E1159 IonicContact NH2-OE1 3.83Å; R1157-E1159 PolarHBondContact NH2-OE1 3.01Å; R1157-E1159 IonicContact NH2-OE2 3.04Å | |||
| 1160 | S | 33.8 | Very low | 31.4 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | cis | -161.3 | -177.4 | -12.1 | 59.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1161 | S | 32.9 | Very low | 31.4 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | cis | -156.2 | 179 | 7.8 | -155.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1162 | T | 31.6 | Very low | 31.3 | Very low | 126 Ų | 126 | 131 Ų | 131 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -108.1 | 159.6 | 168.3 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1163 | N | 34.2 | Very low | 31.3 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 92% | 0.92 | 78% | 0.784 | S | S | * | * | trans | -148.5 | 154.7 | 147.4 | -121.7 | -24.4 | 0 | 0 | 0 | 112.6 | ||||
| 1164 | S | 29 | Very low | 31.5 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -127.8 | 151.8 | -168.6 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1165 | L | 32.6 | Very low | 31.6 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -154.6 | 159.8 | 152.9 | -109.5 | 166.9 | 0 | 0 | 0 | 110.8 | ||||
| 1166 | K | 27.6 | Very low | 31.2 | Very low | 191 Ų | 191 | 137 Ų | 137 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | -117.3 | 150.6 | -170.9 | -52.6 | 170.6 | -179.3 | 175.6 | 0 | 111.5 | ||||
| 1167 | S | 32.1 | Very low | 30.9 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -165.3 | 161.1 | 139.3 | 59.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1168 | N | 28.6 | Very low | 30.6 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -77 | -173.4 | 171.5 | -51.9 | -13 | 0 | 0 | 0 | 109.5 | ||||
| 1169 | D | 29 | Very low | 30.3 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | cis | -157.2 | -153.1 | 25.6 | -143.2 | -65.3 | 0 | 0 | 0 | 113.7 | ||||
| 1170 | S | 28.7 | Very low | 29.9 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -113.1 | 173.3 | -152.2 | 55.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1171 | G | 28.2 | Very low | 30 | Very low | 69 Ų | 69 | 141.9 Ų | 141.9 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 123.7 | 121.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1172 | S | 29.7 | Very low | 30 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | cis | 68.4 | 132.7 | 48.5 | -144.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1173 | Q | 27.9 | Very low | 30 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | cis | -142.6 | -178.6 | 30.9 | -68.6 | 174.2 | -24.2 | 0 | 0 | 114.4 | ||||
| 1174 | R | 35.6 | Very low | 29.8 | Very low | 213 Ų | 213 | 139.5 Ų | 139.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -84.9 | -178.8 | 165.8 | -65.7 | -177.6 | 175.6 | 175.9 | -2.2 | 111.9 | ||||
| 1175 | P | 31.5 | Very low | 29.9 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | -126 | 176.8 | 113.5 | 37.6 | -34.3 | 0 | 0 | 0 | 114.6 | |||||
| 1176 | V | 27.6 | Very low | 29.7 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 61% | 0.606 | 78% | 0.78 | S | S | * | * | trans | -135.8 | 144.8 | -173.9 | 172.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1177 | V | 28.1 | Very low | 29.7 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -143.2 | 94.1 | 157.1 | -177.1 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 1178 | E | 25.6 | Very low | 29.5 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | 78.5 | 144.8 | 88.7 | -75.7 | -165.1 | 149.1 | 0 | 0 | 114.5 | |||||
| 1179 | V | 27.6 | Very low | 29.8 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -132.2 | 141.5 | -166.1 | 173.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1180 | F | 26.7 | Very low | 29.6 | Very low | 209 Ų | 209 | 143.9 Ų | 143.9 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -133 | 132 | 162.8 | -105.9 | -87.9 | 0 | 0 | 0 | 111.1 | ||||
| 1181 | N | 34.7 | Very low | 29.4 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -162.4 | 130.3 | 173.7 | -175 | 53.6 | 0 | 0 | 0 | 109 | ||||
| 1182 | P | 34.4 | Very low | 29.3 | Very low | 103 Ų | 103 | 144 Ų | 144 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -122 | 118.6 | 165 | 8.6 | 14.3 | 0 | 0 | 0 | 113.8 | ||||
| 1183 | S | 30.4 | Very low | 29.1 | Very low | 84 Ų | 84 | 145.2 Ų | 145.2 | 59% | 0.587 | 79% | 0.794 | S | S | * | * | trans | 35.7 | 116.2 | 130.8 | 58.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1184 | E | 31.2 | Very low | 29.1 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | 95.3 | 162 | 100.5 | -73.1 | 176.8 | -163.9 | 0 | 0 | 112.8 | |||||
| 1185 | Q | 30.5 | Very low | 28.6 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -136.6 | -179 | 20 | -73.3 | -179.5 | -14.5 | 0 | 0 | 113.9 | ||||
| 1186 | N | 27.4 | Very low | 28.4 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -88.5 | 160.2 | -175.9 | -46.2 | -71.4 | 0 | 0 | 0 | 115 | ||||
| 1187 | S | 29.2 | Very low | 28.4 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -169.4 | 171.2 | 134.1 | 39.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1188 | E | 27.6 | Very low | 28.5 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -102.2 | 170.7 | -163.2 | -96.2 | -170.6 | 155.6 | 0 | 0 | 115.5 | ||||
| 1189 | P | 34.4 | Very low | 28.8 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -95.3 | 144.3 | -161.9 | 36.2 | -35.6 | 0 | 0 | 0 | 116.2 | ||||
| 1190 | I | 24.9 | Very low | 29.1 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -136.8 | 157.9 | 165.9 | -62.3 | -176.7 | 0 | 0 | 0 | 108.7 | ||||
| 1191 | A | 24.6 | Very low | 29.9 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -99.4 | 170.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1192 | A | 25.5 | Very low | 30.1 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 88.4 | 146 | 162.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1193 | D | 25.6 | Very low | 30.8 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | 57.2 | 117.6 | 164 | -63.3 | -25 | 0 | 0 | 0 | 123.4 | ||||
| 1194 | H | 27.5 | Very low | 31.9 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | trans | 19 | 113.9 | 138.4 | -62.7 | -82 | 0 | 0 | 0 | 120.3 | ||||
| 1195 | S | 26.5 | Very low | 32.9 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | 176.9 | 166.4 | 119.6 | 41.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1196 | D | 27.4 | Very low | 34.2 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | trans | -70.6 | 131.1 | -175.8 | -58.4 | -85.8 | 0 | 0 | 0 | 114.5 | ||||
| 1197 | Q | 27.5 | Very low | 35.3 | Very low | 195 Ų | 195 | 120.5 Ų | 120.5 | 91% | 0.911 | 70% | 0.701 | S | S | * | * | trans | -156.9 | 147.2 | 143.4 | -120.9 | 144.3 | 105.2 | 0 | 0 | 112.5 | ||||
| 1198 | T | 29.1 | Very low | 36.3 | Very low | 129 Ų | 129 | 117.2 Ų | 117.2 | 79% | 0.791 | 68% | 0.677 | S | S | * | * | trans | -100.9 | 121.6 | -163.1 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | A1200 | T1198-A1200 PolarHBondContact O-N 2.81Š| ||
| 1199 | D | 32.5 | Very low | 37 | Very low | 132 Ų | 132 | 114.5 Ų | 114.5 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | trans | -72.2 | 94.2 | 164.8 | 176.9 | 19 | 0 | 0 | 0 | 110.3 | G1201 | D1199-G1201 PolarHBondContact O-N 3.29Š| ||
| 1200 | A | 34.3 | Very low | 37.4 | Very low | 102 Ų | 102 | 111 Ų | 111 | 84% | 0.843 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 35.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1198 | T1198-A1200 PolarHBondContact O-N 2.81Š|
| 1201 | G | 41.6 | Very low | 38.6 | Very low | 41 Ų | 41 | 104.6 Ų | 104.6 | 42% | 0.423 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.1 | -35 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | D1199 R1236 | D1199-G1201 PolarHBondContact O-N 3.29Å; G1201-R1236 PolarHBondContact O-NH1 2.9Å; G1201-R1236 PolarHBondContact O-NH2 3.44Å |
| 1202 | R | 38.9 | Very low | 40 | Very low | 201 Ų | 201 | 100.4 Ų | 100.4 | 76% | 0.758 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -115.8 | 139.2 | -161.8 | -152.7 | 171.7 | -170.6 | 178 | 0.8 | 112.9 | ||
| 1203 | P | 49.7 | Very low | 41.6 | Very low | 57 Ų | 57 | 100 Ų | 100 | 37% | 0.37 | 58% | 0.575 | S | S | . | * | trans | -65.9 | 138.1 | 171.3 | -16.6 | 30.3 | 0 | 0 | 0 | 110.3 | ||||
| 1204 | P | 54.2 | Low | 43.3 | Very low | 51 Ų | 51 | 93.7 Ų | 93.7 | 33% | 0.331 | 54% | 0.542 | S | S | . | . | trans | -63.9 | 139.6 | 178.3 | 26.5 | -36.3 | 0 | 0 | 0 | 112.3 | F1206 G1220 G1221 S1222 | P1204-F1206 HydrophobicContact CB-CE2 3.77Å; P1204-F1206 HydrophobicContact CB-CZ 4.13Å; P1204-F1206 HydrophobicContact CG-CE2 4.35Å; P1204-G1220 WeakPolarHBondContact CD-O 3.33Å; P1204-G1221 CarbonylContact O-C 3.58Å; P1204-G1221 WeakPolarHBondContact O-CA 3.42Å; P1204-S1222 PolarHBondContact O-N 2.82Å | ||
| 1205 | S | 52 | Low | 45 | Very low | 84 Ų | 84 | 87.9 Ų | 87.9 | 59% | 0.587 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 122.9 | 177.5 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | S1222 | S1205-S1222 WeakPolarHBondContact CA-O 3.41Å; S1205-S1222 WeakPolarHBondContact CB-OG 3.49Å |
| 1206 | F | 56.7 | Low | 47 | Very low | 77 Ų | 77 | 82.3 Ų | 82.3 | 34% | 0.338 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.8 | -177.8 | -58.9 | -90.3 | 0 | 0 | 0 | 110.6 | P1204 T1212 A1214 S1222 L1223 T1224 | P1204-F1206 HydrophobicContact CB-CE2 3.77Å; P1204-F1206 HydrophobicContact CB-CZ 4.13Å; P1204-F1206 HydrophobicContact CG-CE2 4.35Å; F1206-T1212 HydrophobicContact CB-CG2 4.47Å; F1206-A1214 HydrophobicContact CD1-CB 4.01Å; F1206-A1214 HydrophobicContact CD2-CB 3.36Å; F1206-A1214 HydrophobicContact CE1-CB 3.99Å; F1206-A1214 HydrophobicContact CE2-CB 3.33Å; F1206-A1214 HydrophobicContact CG-CB 3.71Å; F1206-A1214 HydrophobicContact CZ-CB 3.66Å; F1206-S1222 PolarHBondContact N-O 2.7Å; F1206-L1223 HydrophobicContact CB-CG 4.3Å; F1206-L1223 HydrophobicContact CD2-CD1 4.5Å; F1206-L1223 CarbonylContact O-C 3.59Å; F1206-L1223 WeakPolarHBondContact O-CA 3.46Å; F1206-T1224 PolarHBondContact O-N 3.28Å |
| 1207 | V | 51.3 | Low | 49.2 | Very low | 80 Ų | 80 | 76.9 Ų | 76.9 | 49% | 0.485 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 125.7 | -179.3 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | T1224 E1226 | V1207-T1224 WeakPolarHBondContact CA-O 3.43Å; V1207-E1226 HydrophobicContact CG1-CB 3.99Å; V1207-E1226 HydrophobicContact CG1-CG 4.22Å |
| 1208 | C | 50.1 | Low | 51.6 | Low | 57 Ų | 57 | 69.5 Ų | 69.5 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 158.4 | 171.4 | -65.8 | 0 | 0 | 0 | 0 | 110.5 | A1211 T1212 E1226 | C1208-A1211 VanDerWaalsContact CB-O 3.24Å; C1208-A1211 WeakPolarHBondContact CB-O 3.3Å; C1208-T1212 HydrophobicContact CB-CG2 3.5Å; C1208-T1212 VanDerWaalsContact CB-CG2 3.5Å; C1208-E1226 WeakPolarHBondContact O-CB 3.46Å; C1208-E1226 PolarHBondContact O-N 3.09Å |
| 1209 | Q | 42.4 | Very low | 53.7 | Low | 135 Ų | 135 | 67.8 Ų | 67.8 | 63% | 0.631 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -75.1 | -41.8 | -177 | -62.4 | 175.1 | -13.6 | 0 | 0 | 114.3 | E1226 | Q1209-E1226 HydrophobicContact CG-CB 4.25Å; Q1209-E1226 WeakPolarHBondContact CG-OE2 3.22Å |
| 1210 | A | 42 | Very low | 55.7 | Low | 43 Ų | 43 | 61.5 Ų | 61.5 | 36% | 0.355 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -110.7 | -43 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1251 T1254 | A1210-S1251 PolarHBondContact O-N 2.85Å; A1210-T1254 VanDerWaalsContact CA-OG1 3.3Å; A1210-T1254 WeakPolarHBondContact CA-OG1 3.46Å; A1210-T1254 HydrophobicContact CB-CG2 4.25Å; A1210-T1254 WeakPolarHBondContact CB-OG1 3.26Å |
| 1211 | A | 50.7 | Low | 57.7 | Low | 40 Ų | 40 | 57 Ų | 57 | 33% | 0.331 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 135.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | C1208 L1249 L1250 | C1208-A1211 VanDerWaalsContact CB-O 3.24Å; C1208-A1211 WeakPolarHBondContact CB-O 3.3Å; A1211-L1249 VanDerWaalsContact CA-O 3.22Å; A1211-L1249 WeakPolarHBondContact CA-O 3.35Å; A1211-L1249 WeakPolarHBondContact CB-O 3.3Å; A1211-L1250 HydrophobicContact CB-CD2 3.96Å |
| 1212 | T | 54.3 | Low | 59.1 | Low | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 145 | 164.9 | 42.1 | 0 | 0 | 0 | 0 | 108.8 | F1206 C1208 T1224 K1248 L1249 | F1206-T1212 HydrophobicContact CB-CG2 4.47Å; C1208-T1212 HydrophobicContact CB-CG2 3.5Å; C1208-T1212 VanDerWaalsContact CB-CG2 3.5Å; T1212-T1224 WeakPolarHBondContact CG2-O 3.39Å; T1212-K1248 CarbonylContact O-C 3.32Å; T1212-K1248 VanDerWaalsContact O-CA 3.26Å; T1212-K1248 WeakPolarHBondContact O-CA 3.35Å; T1212-L1249 PolarHBondContact N-O 2.92Å; T1212-L1249 PolarHBondContact O-N 3.42Å; T1212-L1249 WeakPolarHBondContact OG1-CD1 3.23Å |
| 1213 | S | 58 | Low | 60.7 | Low | 85 Ų | 85 | 46.7 Ų | 46.7 | 59% | 0.594 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 136.6 | 163.8 | 59.2 | 0 | 0 | 0 | 0 | 111 | L1247 | S1213-L1247 CarbonylContact C-O 3.58Å; S1213-L1247 WeakPolarHBondContact CA-O 3.49Å |
| 1214 | A | 62.2 | Low | 61.6 | Low | 10 Ų | 10 | 45.9 Ų | 45.9 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 151.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1206 L1223 L1247 | F1206-A1214 HydrophobicContact CD1-CB 4.01Å; F1206-A1214 HydrophobicContact CD2-CB 3.36Å; F1206-A1214 HydrophobicContact CE1-CB 3.99Å; F1206-A1214 HydrophobicContact CE2-CB 3.33Å; F1206-A1214 HydrophobicContact CG-CB 3.71Å; F1206-A1214 HydrophobicContact CZ-CB 3.66Å; A1214-L1223 HydrophobicContact CB-CD1 4.1Å; A1214-L1223 HydrophobicContact CB-CD2 4.28Å; A1214-L1223 HydrophobicContact CB-CG 4.22Å; A1214-L1247 PolarHBondContact N-O 3.14Å; A1214-L1247 PolarHBondContact O-N 2.94Å |
| 1215 | S | 63.6 | Low | 62.1 | Low | 55 Ų | 55 | 43.5 Ų | 43.5 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 137.2 | 160.9 | 47.8 | 0 | 0 | 0 | 0 | 110.2 | M1245 | S1215-M1245 CarbonylContact C-O 3.52Å; S1215-M1245 VanDerWaalsContact CA-O 3.29Å; S1215-M1245 WeakPolarHBondContact CA-O 3.39Å |
| 1216 | I | 69.1 | Low | 62.4 | Low | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.1 | 169 | -65.7 | -170.5 | 0 | 0 | 0 | 108.8 | L1223 V1234 L1239 E1244 M1245 L1247 | I1216-L1223 HydrophobicContact CD1-CD1 3.75Å; I1216-L1223 HydrophobicContact CG1-CD1 4.31Å; I1216-V1234 HydrophobicContact CD1-CB 4.17Å; I1216-V1234 HydrophobicContact CD1-CG2 3.89Å; I1216-V1234 HydrophobicContact CG2-CB 3.98Å; I1216-V1234 HydrophobicContact CG2-CG1 3.95Å; I1216-V1234 HydrophobicContact CG2-CG2 4.32Å; I1216-L1239 HydrophobicContact CG2-CD1 3.93Å; I1216-L1239 WeakPolarHBondContact O-CD1 3.38Å; I1216-E1244 CarbonylContact O-C 3.53Å; I1216-E1244 WeakPolarHBondContact O-CA 3.3Å; I1216-M1245 PolarHBondContact N-O 2.79Å; I1216-M1245 PolarHBondContact O-N 2.97Å; I1216-L1247 HydrophobicContact CB-CD1 4.39Å; I1216-L1247 HydrophobicContact CD1-CD1 3.56Å; I1216-L1247 HydrophobicContact CG1-CD1 3.96Å |
| 1217 | S | 72.8 | Confident | 62.3 | Low | 36 Ų | 36 | 44.6 Ų | 44.6 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | trans | -109.6 | -170.5 | 176.8 | 68 | 0 | 0 | 0 | 0 | 111.4 | Q1219 G1220 L1239 | S1217-Q1219 PolarHBondContact O-N 2.81Å; S1217-Q1219 PolarHBondContact OG-N 3.44Å; S1217-G1220 PolarHBondContact O-N 2.89Å; S1217-L1239 WeakPolarHBondContact O-CD1 3.45Å | ||
| 1218 | N | 77.3 | Confident | 62.7 | Low | 41 Ų | 41 | 41.6 Ų | 41.6 | 22% | 0.219 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -14.8 | 173.9 | 73.4 | -22.4 | 0 | 0 | 0 | 114.8 | G1220 N1237 | N1218-G1220 PolarHBondContact O-N 3.48Å; N1218-N1237 PolarHBondContact O-N 3.04Å |
| 1219 | Q | 74.6 | Confident | 63.2 | Low | 93 Ų | 93 | 41.1 Ų | 41.1 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -7.5 | 173 | -61.3 | -58.3 | -26.2 | 0 | 0 | 114.2 | S1217 R1236 | S1217-Q1219 PolarHBondContact O-N 2.81Å; S1217-Q1219 PolarHBondContact OG-N 3.44Å; Q1219-R1236 WeakPolarHBondContact O-CG 3.33Å; Q1219-R1236 PolarHBondContact O-NE 3.44Å |
| 1220 | G | 73.9 | Confident | 64.2 | Low | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | 68.8 | -170.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112 | P1204 S1217 N1218 V1234 | P1204-G1220 WeakPolarHBondContact CD-O 3.33Å; S1217-G1220 PolarHBondContact O-N 2.89Å; N1218-G1220 PolarHBondContact O-N 3.48Å; G1220-V1234 CarbonylContact C-O 3.52Å; G1220-V1234 WeakPolarHBondContact CA-O 3.45Å | ||
| 1221 | G | 75.2 | Confident | 65.6 | Low | 6 Ų | 6 | 33.6 Ų | 33.6 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.9 | -175.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1204 K1233 V1234 | P1204-G1221 CarbonylContact O-C 3.58Å; P1204-G1221 WeakPolarHBondContact O-CA 3.42Å; G1221-K1233 WeakPolarHBondContact O-CA 3.48Å; G1221-V1234 PolarHBondContact N-O 2.91Å; G1221-V1234 PolarHBondContact O-N 2.99Å |
| 1222 | S | 73 | Confident | 66.7 | Low | 27 Ų | 27 | 32.3 Ų | 32.3 | 19% | 0.189 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 146 | 174.2 | 54 | 0 | 0 | 0 | 0 | 113 | P1204 S1205 F1206 L1232 | P1204-S1222 PolarHBondContact O-N 2.82Å; S1205-S1222 WeakPolarHBondContact CA-O 3.41Å; S1205-S1222 WeakPolarHBondContact CB-OG 3.49Å; F1206-S1222 PolarHBondContact N-O 2.7Å; S1222-L1232 CarbonylContact C-O 3.45Å; S1222-L1232 WeakPolarHBondContact CA-O 3.45Å |
| 1223 | L | 71.9 | Confident | 67.7 | Low | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.3 | 162.5 | -71 | 73.2 | 0 | 0 | 0 | 108.1 | F1206 A1214 I1216 C1231 L1232 L1247 L1249 | F1206-L1223 HydrophobicContact CB-CG 4.3Å; F1206-L1223 HydrophobicContact CD2-CD1 4.5Å; F1206-L1223 CarbonylContact O-C 3.59Å; F1206-L1223 WeakPolarHBondContact O-CA 3.46Å; A1214-L1223 HydrophobicContact CB-CD1 4.1Å; A1214-L1223 HydrophobicContact CB-CD2 4.28Å; A1214-L1223 HydrophobicContact CB-CG 4.22Å; I1216-L1223 HydrophobicContact CD1-CD1 3.75Å; I1216-L1223 HydrophobicContact CG1-CD1 4.31Å; L1223-C1231 CarbonylContact O-C 3.52Å; L1223-C1231 VanDerWaalsContact O-CA 3.32Å; L1223-C1231 WeakPolarHBondContact O-CA 3.43Å; L1223-L1232 PolarHBondContact N-O 2.73Å; L1223-L1232 PolarHBondContact O-N 2.93Å; L1223-L1247 HydrophobicContact CD1-CB 3.82Å; L1223-L1247 HydrophobicContact CD1-CD1 3.79Å; L1223-L1247 HydrophobicContact CD1-CG 4.42Å; L1223-L1247 HydrophobicContact CD2-CB 3.58Å; L1223-L1247 HydrophobicContact CG-CB 4.36Å; L1223-L1249 HydrophobicContact CB-CD1 3.42Å; L1223-L1249 VanDerWaalsContact CB-CD1 3.42Å; L1223-L1249 HydrophobicContact CD2-CD1 3.98Å; L1223-L1249 HydrophobicContact CG-CD1 4.37Å |
| 1224 | T | 67.7 | Low | 68.6 | Low | 40 Ų | 40 | 32.3 Ų | 32.3 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.1 | 174.8 | -52.3 | 0 | 0 | 0 | 0 | 109 | F1206 V1207 T1212 V1230 C1231 | F1206-T1224 PolarHBondContact O-N 3.28Å; V1207-T1224 WeakPolarHBondContact CA-O 3.43Å; T1212-T1224 WeakPolarHBondContact CG2-O 3.39Å; T1224-V1230 WeakPolarHBondContact CA-O 3.22Å; T1224-C1231 HydrophobicContact CG2-CB 4.3Å; T1224-C1231 PolarHBondContact OG1-SG 2.74Å |
| 1225 | L | 64.8 | Low | 69 | Low | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 103.6 | 176 | -167.5 | 70.6 | 0 | 0 | 0 | 108.4 | T1228 V1230 L1249 | L1225-T1228 WeakPolarHBondContact CB-OG1 3.47Å; L1225-T1228 HydrophobicContact CD2-CG2 3.88Å; L1225-T1228 HydrophobicContact CG-CG2 4.02Å; L1225-T1228 PolarHBondContact O-N 3.31Å; L1225-T1228 PolarHBondContact O-OG1 2.98Å; L1225-V1230 PolarHBondContact N-O 2.85Å; L1225-L1249 HydrophobicContact CB-CB 4.31Å; L1225-L1249 HydrophobicContact CB-CD2 4.22Å; L1225-L1249 HydrophobicContact CD1-CB 4.07Å; L1225-L1249 HydrophobicContact CD2-CB 4.19Å; L1225-L1249 HydrophobicContact CD2-CD2 4.45Å; L1225-L1249 HydrophobicContact CG-CB 4.45Å |
| 1226 | E | 59.3 | Low | 69.7 | Low | 95 Ų | 95 | 36.5 Ų | 36.5 | 44% | 0.444 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 145.7 | -168.9 | -160.6 | 179.3 | -175.5 | 0 | 0 | 111.4 | V1207 C1208 Q1209 T1228 | V1207-E1226 HydrophobicContact CG1-CB 3.99Å; V1207-E1226 HydrophobicContact CG1-CG 4.22Å; C1208-E1226 WeakPolarHBondContact O-CB 3.46Å; C1208-E1226 PolarHBondContact O-N 3.09Å; Q1209-E1226 HydrophobicContact CG-CB 4.25Å; Q1209-E1226 WeakPolarHBondContact CG-OE2 3.22Å; E1226-T1228 PolarHBondContact O-N 3.28Å |
| 1227 | G | 54.6 | Low | 70.1 | Confident | 88 Ų | 88 | 41.7 Ų | 41.7 | 91% | 0.907 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | -28.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1228 | T | 58.9 | Low | 70.1 | Confident | 17 Ų | 17 | 40 Ų | 40 | 10% | 0.104 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -16.7 | -177.9 | 74.7 | 0 | 0 | 0 | 0 | 114.5 | L1225 E1226 V1230 P1305 | L1225-T1228 WeakPolarHBondContact CB-OG1 3.47Å; L1225-T1228 HydrophobicContact CD2-CG2 3.88Å; L1225-T1228 HydrophobicContact CG-CG2 4.02Å; L1225-T1228 PolarHBondContact O-N 3.31Å; L1225-T1228 PolarHBondContact O-OG1 2.98Å; E1226-T1228 PolarHBondContact O-N 3.28Å; T1228-V1230 PolarHBondContact O-N 2.82Å; T1228-V1230 PolarHBondContact OG1-N 3.1Å; T1228-P1305 VanDerWaalsContact O-CG 3.23Å; T1228-P1305 WeakPolarHBondContact O-CG 3.27Å |
| 1229 | G | 60.5 | Low | 69.7 | Low | 48 Ų | 48 | 38.2 Ų | 38.2 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 12.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1230 | V | 64 | Low | 69.3 | Low | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131.5 | 173.8 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | T1224 L1225 T1228 L1249 V1286 L1302 C1303 L1304 P1305 W1315 | T1224-V1230 WeakPolarHBondContact CA-O 3.22Å; L1225-V1230 PolarHBondContact N-O 2.85Å; T1228-V1230 PolarHBondContact O-N 2.82Å; T1228-V1230 PolarHBondContact OG1-N 3.1Å; V1230-L1249 HydrophobicContact CB-CD2 4.36Å; V1230-L1249 HydrophobicContact CG1-CD2 3.53Å; V1230-V1286 HydrophobicContact CG1-CG2 4.33Å; V1230-L1302 HydrophobicContact CG1-CD1 4.19Å; V1230-C1303 WeakPolarHBondContact CA-O 3.45Å; V1230-L1304 HydrophobicContact CG1-CD2 4.06Å; V1230-L1304 HydrophobicContact CG2-CD2 3.91Å; V1230-P1305 HydrophobicContact CG2-CG 4.44Å; V1230-W1315 HydrophobicContact CB-CH2 4.48Å; V1230-W1315 HydrophobicContact CB-CZ3 4.42Å; V1230-W1315 HydrophobicContact CG2-CE3 4.17Å; V1230-W1315 HydrophobicContact CG2-CH2 3.42Å; V1230-W1315 VanDerWaalsContact CG2-CH2 3.42Å; V1230-W1315 HydrophobicContact CG2-CZ2 4.02Å; V1230-W1315 HydrophobicContact CG2-CZ3 3.53Å |
| 1231 | C | 70.9 | Confident | 68.7 | Low | 19 Ų | 19 | 41.9 Ų | 41.9 | 13% | 0.128 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 135.8 | 176.1 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | L1223 T1224 L1302 C1303 | L1223-C1231 CarbonylContact O-C 3.52Å; L1223-C1231 VanDerWaalsContact O-CA 3.32Å; L1223-C1231 WeakPolarHBondContact O-CA 3.43Å; T1224-C1231 HydrophobicContact CG2-CB 4.3Å; T1224-C1231 PolarHBondContact OG1-SG 2.74Å; C1231-L1302 CarbonylContact O-C 3.58Å; C1231-C1303 HydrophobicContact CB-CB 3.99Å; C1231-C1303 PolarHBondContact N-O 3.05Å; C1231-C1303 VanDerWaalsContact N-O 3.1Å; C1231-C1303 PolarHBondContact O-N 2.93Å |
| 1232 | L | 74.6 | Confident | 68.1 | Low | 13 Ų | 13 | 47 Ų | 47 | 7% | 0.068 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.7 | 168.3 | -172.1 | 80.8 | 0 | 0 | 0 | 108.7 | S1222 L1223 L1247 V1300 E1301 L1302 | S1222-L1232 CarbonylContact C-O 3.45Å; S1222-L1232 WeakPolarHBondContact CA-O 3.45Å; L1223-L1232 PolarHBondContact N-O 2.73Å; L1223-L1232 PolarHBondContact O-N 2.93Å; L1232-L1247 HydrophobicContact CD2-CD1 3.89Å; L1232-L1247 HydrophobicContact CD2-CD2 3.31Å; L1232-L1247 HydrophobicContact CD2-CG 4.21Å; L1232-V1300 HydrophobicContact CD1-CG1 3.71Å; L1232-V1300 HydrophobicContact CD2-CG1 4.45Å; L1232-V1300 HydrophobicContact CG-CG1 4.01Å; L1232-E1301 CarbonylContact C-O 3.46Å; L1232-E1301 WeakPolarHBondContact CA-O 3.41Å; L1232-L1302 HydrophobicContact CB-CD1 4.43Å; L1232-L1302 HydrophobicContact CD1-CB 3.88Å; L1232-L1302 HydrophobicContact CD1-CD1 3.91Å; L1232-L1302 HydrophobicContact CD1-CG 4.41Å |
| 1233 | K | 74.3 | Confident | 67.4 | Low | 82 Ų | 82 | 46.6 Ų | 46.6 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.9 | 177.9 | -44.7 | 178 | -156.3 | 147.2 | 0 | 110.4 | G1221 V1300 E1301 C1303 | G1221-K1233 WeakPolarHBondContact O-CA 3.48Å; K1233-V1300 WeakPolarHBondContact O-CG1 3.36Å; K1233-E1301 HydrophobicContact CB-CB 4.19Å; K1233-E1301 WeakPolarHBondContact CD-OE2 3.49Å; K1233-E1301 PolarHBondContact N-O 3.46Å; K1233-E1301 IonicContact NZ-OE1 2.71Å; K1233-E1301 PolarHBondContact NZ-OE1 2.77Å; K1233-E1301 IonicContact NZ-OE2 2.72Å; K1233-E1301 PolarHBondContact NZ-OE2 3.46Å; K1233-E1301 PolarHBondContact O-N 3.41Å; K1233-C1303 WeakPolarHBondContact CE-SG 3.22Å |
| 1234 | V | 77 | Confident | 66.9 | Low | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.6 | 174.3 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | I1216 G1220 G1221 A1238 L1239 L1247 V1300 | I1216-V1234 HydrophobicContact CD1-CB 4.17Å; I1216-V1234 HydrophobicContact CD1-CG2 3.89Å; I1216-V1234 HydrophobicContact CG2-CB 3.98Å; I1216-V1234 HydrophobicContact CG2-CG1 3.95Å; I1216-V1234 HydrophobicContact CG2-CG2 4.32Å; G1220-V1234 CarbonylContact C-O 3.52Å; G1220-V1234 WeakPolarHBondContact CA-O 3.45Å; G1221-V1234 PolarHBondContact N-O 2.91Å; G1221-V1234 PolarHBondContact O-N 2.99Å; V1234-A1238 HydrophobicContact CG1-CB 3.93Å; V1234-L1239 HydrophobicContact CG1-CD1 4.29Å; V1234-L1247 HydrophobicContact CG2-CD1 4.32Å; V1234-V1300 HydrophobicContact CG1-CG2 4.43Å; V1234-V1300 HydrophobicContact CG2-CG1 4.02Å; V1234-V1300 HydrophobicContact CG2-CG2 4.32Å |
| 1235 | P | 70.9 | Confident | 66.8 | Low | 47 Ų | 47 | 50 Ų | 50 | 31% | 0.305 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 158 | 177.9 | -20.7 | 29.9 | 0 | 0 | 0 | 113.6 | A1238 P1299 | P1235-A1238 HydrophobicContact CB-CB 4.14Å; P1235-A1238 HydrophobicContact CG-CB 4.29Å; P1235-A1238 WeakPolarHBondContact O-CB 3.42Å; P1235-A1238 PolarHBondContact O-N 2.84Å; P1235-P1299 WeakPolarHBondContact CD-O 3.42Å; P1235-P1299 WeakPolarHBondContact CG-O 3.45Å |
| 1236 | R | 78.4 | Confident | 66.5 | Low | 106 Ų | 106 | 55.6 Ų | 55.6 | 40% | 0.4 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 139.5 | 165.1 | -88.6 | -179.5 | 174.4 | 168.6 | 2.2 | 110.7 | G1201 Q1219 A1238 | G1201-R1236 PolarHBondContact O-NH1 2.9Å; G1201-R1236 PolarHBondContact O-NH2 3.44Å; Q1219-R1236 WeakPolarHBondContact O-CG 3.33Å; Q1219-R1236 PolarHBondContact O-NE 3.44Å; R1236-A1238 PolarHBondContact O-N 2.97Å; R1236-A1238 VanDerWaalsContact O-N 3.1Å |
| 1237 | N | 78.6 | Confident | 66.5 | Low | 110 Ų | 110 | 51.3 Ų | 51.3 | 59% | 0.588 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 8.1 | -175.7 | -51.2 | -46.3 | 0 | 0 | 0 | 115.5 | N1218 L1239 S1297 | N1218-N1237 PolarHBondContact O-N 3.04Å; N1237-L1239 CarbonylContact C-O 3.53Å; N1237-L1239 PolarHBondContact O-N 3.29Å; N1237-S1297 PolarHBondContact O-OG 2.95Å |
| 1238 | A | 71.1 | Confident | 66.7 | Low | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -61.8 | -36.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1234 P1235 R1236 F1296 S1297 | V1234-A1238 HydrophobicContact CG1-CB 3.93Å; P1235-A1238 HydrophobicContact CB-CB 4.14Å; P1235-A1238 HydrophobicContact CG-CB 4.29Å; P1235-A1238 WeakPolarHBondContact O-CB 3.42Å; P1235-A1238 PolarHBondContact O-N 2.84Å; R1236-A1238 PolarHBondContact O-N 2.97Å; R1236-A1238 VanDerWaalsContact O-N 3.1Å; A1238-F1296 HydrophobicContact CB-CD1 4.43Å; A1238-F1296 CarbonylContact O-C 3.47Å; A1238-F1296 VanDerWaalsContact O-CA 3.27Å; A1238-F1296 WeakPolarHBondContact O-CA 3.23Å; A1238-S1297 WeakPolarHBondContact CA-OG 3.43Å; A1238-S1297 PolarHBondContact O-N 2.87Å |
| 1239 | L | 69.2 | Low | 66.7 | Low | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -89.3 | 146.2 | 169.6 | -71.6 | 158.6 | 0 | 0 | 0 | 110.8 | I1216 S1217 V1234 N1237 A1243 M1245 L1294 F1296 | I1216-L1239 HydrophobicContact CG2-CD1 3.93Å; I1216-L1239 WeakPolarHBondContact O-CD1 3.38Å; S1217-L1239 WeakPolarHBondContact O-CD1 3.45Å; V1234-L1239 HydrophobicContact CG1-CD1 4.29Å; N1237-L1239 CarbonylContact C-O 3.53Å; N1237-L1239 PolarHBondContact O-N 3.29Å; L1239-A1243 HydrophobicContact CB-CB 4.36Å; L1239-A1243 HydrophobicContact CD2-CB 4.09Å; L1239-M1245 HydrophobicContact CD1-CB 4.15Å; L1239-M1245 HydrophobicContact CD2-CB 4.29Å; L1239-L1294 HydrophobicContact CD2-CD1 3.67Å; L1239-L1294 HydrophobicContact CD2-CD2 3.73Å; L1239-L1294 HydrophobicContact CD2-CG 3.91Å; L1239-F1296 HydrophobicContact CD2-CE1 4.25Å |
| 1240 | A | 67.4 | Low | 66.4 | Low | 59 Ų | 59 | 47.1 Ų | 47.1 | 49% | 0.488 | 26% | 0.261 | S | S | . | . | trans | -59.6 | 155.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1242 A1243 | A1240-S1242 PolarHBondContact O-N 3.49Å; A1240-A1243 HydrophobicContact CB-CB 4.2Å; A1240-A1243 PolarHBondContact O-N 3.38Å | ||
| 1241 | S | 59.8 | Low | 65.9 | Low | 111 Ų | 111 | 47.5 Ų | 47.5 | 78% | 0.776 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -11.4 | -175.9 | 50.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1242 | S | 63.3 | Low | 64.8 | Low | 114 Ų | 114 | 48.4 Ų | 48.4 | 80% | 0.797 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | 12.3 | 177.1 | 66.2 | 0 | 0 | 0 | 0 | 113.6 | A1240 | A1240-S1242 PolarHBondContact O-N 3.49Š|
| 1243 | A | 59.5 | Low | 63.3 | Low | 19 Ų | 19 | 53.2 Ų | 53.2 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | trans | -111.7 | 124.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1239 A1240 | L1239-A1243 HydrophobicContact CB-CB 4.36Å; L1239-A1243 HydrophobicContact CD2-CB 4.09Å; A1240-A1243 HydrophobicContact CB-CB 4.2Å; A1240-A1243 PolarHBondContact O-N 3.38Å | ||
| 1244 | E | 60.3 | Low | 61.7 | Low | 109 Ų | 109 | 51.7 Ų | 51.7 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | trans | -110.8 | 146.3 | 168.8 | -62.1 | -167.8 | 142.9 | 0 | 0 | 110.3 | I1216 P1291 | I1216-E1244 CarbonylContact O-C 3.53Å; I1216-E1244 WeakPolarHBondContact O-CA 3.3Å; E1244-P1291 WeakPolarHBondContact O-CD 3.26Å; E1244-P1291 WeakPolarHBondContact O-CG 3.41Å | ||
| 1245 | M | 64.8 | Low | 59.8 | Low | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.1 | -177.7 | 167.2 | 161.6 | -75.4 | 0 | 0 | 110.3 | S1215 I1216 L1239 L1247 V1288 L1294 F1296 F1362 | S1215-M1245 CarbonylContact C-O 3.52Å; S1215-M1245 VanDerWaalsContact CA-O 3.29Å; S1215-M1245 WeakPolarHBondContact CA-O 3.39Å; I1216-M1245 PolarHBondContact N-O 2.79Å; I1216-M1245 PolarHBondContact O-N 2.97Å; L1239-M1245 HydrophobicContact CD1-CB 4.15Å; L1239-M1245 HydrophobicContact CD2-CB 4.29Å; M1245-L1247 HydrophobicContact CG-CD1 4.09Å; M1245-L1247 HydrophobicContact CG-CD2 4.37Å; M1245-L1247 HydrophobicContact CG-CG 3.89Å; M1245-L1247 HydrophobicContact SD-CD1 4.33Å; M1245-L1247 HydrophobicContact SD-CD2 4.3Å; M1245-L1247 HydrophobicContact SD-CG 4.34Å; M1245-V1288 HydrophobicContact CE-CG1 4.34Å; M1245-V1288 HydrophobicContact SD-CG1 4.13Å; M1245-L1294 HydrophobicContact CB-CD1 4.43Å; M1245-L1294 HydrophobicContact CE-CD1 3.75Å; M1245-L1294 HydrophobicContact CE-CD2 3.58Å; M1245-L1294 HydrophobicContact CE-CG 4.3Å; M1245-F1296 HydrophobicContact CE-CE1 4.01Å; M1245-F1296 HydrophobicContact CE-CE2 4.49Å; M1245-F1296 HydrophobicContact CE-CZ 3.54Å; M1245-F1296 HydrophobicContact SD-CE1 4.03Å; M1245-F1296 HydrophobicContact SD-CZ 3.75Å; M1245-F1362 HydrophobicContact CE-CE2 4.34Å; M1245-F1362 HydrophobicContact CE-CZ 4.29Å |
| 1246 | F | 58.7 | Low | 58 | Low | 118 Ų | 118 | 59.8 Ų | 59.8 | 52% | 0.518 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 101.8 | -176.3 | -88.8 | -87 | 0 | 0 | 0 | 111.6 | A1289 | F1246-A1289 CarbonylContact C-O 3.54Å; F1246-A1289 HydrophobicContact CB-CB 4.38Å; F1246-A1289 PolarHBondContact N-O 2.89Å; F1246-A1289 CarbonylContact O-C 3.53Å; F1246-A1289 WeakPolarHBondContact O-CA 3.35Å; F1246-A1289 WeakPolarHBondContact O-CB 3.35Å; F1246-A1289 PolarHBondContact O-N 2.85Å |
| 1247 | L | 60.2 | Low | 55.9 | Low | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 144.6 | -173.9 | -73.1 | 157 | 0 | 0 | 0 | 111.5 | S1213 A1214 I1216 L1223 L1232 V1234 M1245 V1288 | S1213-L1247 CarbonylContact C-O 3.58Å; S1213-L1247 WeakPolarHBondContact CA-O 3.49Å; A1214-L1247 PolarHBondContact N-O 3.14Å; A1214-L1247 PolarHBondContact O-N 2.94Å; I1216-L1247 HydrophobicContact CB-CD1 4.39Å; I1216-L1247 HydrophobicContact CD1-CD1 3.56Å; I1216-L1247 HydrophobicContact CG1-CD1 3.96Å; L1223-L1247 HydrophobicContact CD1-CB 3.82Å; L1223-L1247 HydrophobicContact CD1-CD1 3.79Å; L1223-L1247 HydrophobicContact CD1-CG 4.42Å; L1223-L1247 HydrophobicContact CD2-CB 3.58Å; L1223-L1247 HydrophobicContact CG-CB 4.36Å; L1232-L1247 HydrophobicContact CD2-CD1 3.89Å; L1232-L1247 HydrophobicContact CD2-CD2 3.31Å; L1232-L1247 HydrophobicContact CD2-CG 4.21Å; V1234-L1247 HydrophobicContact CG2-CD1 4.32Å; M1245-L1247 HydrophobicContact CG-CD1 4.09Å; M1245-L1247 HydrophobicContact CG-CD2 4.37Å; M1245-L1247 HydrophobicContact CG-CG 3.89Å; M1245-L1247 HydrophobicContact SD-CD1 4.33Å; M1245-L1247 HydrophobicContact SD-CD2 4.3Å; M1245-L1247 HydrophobicContact SD-CG 4.34Å; L1247-V1288 HydrophobicContact CD2-CB 3.99Å; L1247-V1288 HydrophobicContact CD2-CG1 3.59Å; L1247-V1288 HydrophobicContact CD2-CG2 3.67Å |
| 1248 | K | 58.1 | Low | 53.7 | Low | 47 Ų | 47 | 58.9 Ų | 58.9 | 20% | 0.204 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 103.7 | 179.5 | -173 | 169.8 | -176.2 | 174.6 | 0 | 113.3 | T1212 L1250 L1287 | T1212-K1248 CarbonylContact O-C 3.32Å; T1212-K1248 VanDerWaalsContact O-CA 3.26Å; T1212-K1248 WeakPolarHBondContact O-CA 3.35Å; K1248-L1250 HydrophobicContact CG-CG 4.39Å; K1248-L1287 CarbonylContact C-O 3.57Å; K1248-L1287 HydrophobicContact CB-CB 4.33Å; K1248-L1287 HydrophobicContact CB-CD2 4.45Å; K1248-L1287 HydrophobicContact CD-CD2 4.42Å; K1248-L1287 PolarHBondContact N-O 2.93Å; K1248-L1287 CarbonylContact O-C 3.56Å; K1248-L1287 WeakPolarHBondContact O-CA 3.3Å; K1248-L1287 VanDerWaalsContact O-CB 3.25Å; K1248-L1287 WeakPolarHBondContact O-CB 3.17Å; K1248-L1287 PolarHBondContact O-N 2.83Å |
| 1249 | L | 59 | Low | 51.8 | Low | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.016 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 143.1 | 172.6 | -75.6 | 125.7 | 0 | 0 | 0 | 111.2 | A1211 T1212 L1223 L1225 V1230 V1286 | A1211-L1249 VanDerWaalsContact CA-O 3.22Å; A1211-L1249 WeakPolarHBondContact CA-O 3.35Å; A1211-L1249 WeakPolarHBondContact CB-O 3.3Å; T1212-L1249 PolarHBondContact N-O 2.92Å; T1212-L1249 PolarHBondContact O-N 3.42Å; T1212-L1249 WeakPolarHBondContact OG1-CD1 3.23Å; L1223-L1249 HydrophobicContact CB-CD1 3.42Å; L1223-L1249 VanDerWaalsContact CB-CD1 3.42Å; L1223-L1249 HydrophobicContact CD2-CD1 3.98Å; L1223-L1249 HydrophobicContact CG-CD1 4.37Å; L1225-L1249 HydrophobicContact CB-CB 4.31Å; L1225-L1249 HydrophobicContact CB-CD2 4.22Å; L1225-L1249 HydrophobicContact CD1-CB 4.07Å; L1225-L1249 HydrophobicContact CD2-CB 4.19Å; L1225-L1249 HydrophobicContact CD2-CD2 4.45Å; L1225-L1249 HydrophobicContact CG-CB 4.45Å; V1230-L1249 HydrophobicContact CB-CD2 4.36Å; V1230-L1249 HydrophobicContact CG1-CD2 3.53Å; L1249-V1286 HydrophobicContact CD2-CB 4.4Å; L1249-V1286 HydrophobicContact CD2-CG1 3.89Å; L1249-V1286 HydrophobicContact CD2-CG2 3.92Å; L1249-V1286 HydrophobicContact CG-CG1 4.17Å |
| 1250 | L | 54.7 | Low | 49.9 | Very low | 15 Ų | 15 | 71.8 Ų | 71.8 | 8% | 0.079 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 124.9 | -179.2 | -68.6 | 161.3 | 0 | 0 | 0 | 110.4 | A1211 K1248 V1264 I1267 M1285 | A1211-L1250 HydrophobicContact CB-CD2 3.96Å; K1248-L1250 HydrophobicContact CG-CG 4.39Å; L1250-V1264 HydrophobicContact CD2-CG1 4.12Å; L1250-I1267 HydrophobicContact CD1-CG2 4.39Å; L1250-M1285 CarbonylContact C-O 3.35Å; L1250-M1285 WeakPolarHBondContact CA-O 3.15Å; L1250-M1285 HydrophobicContact CB-CE 4.49Å; L1250-M1285 WeakPolarHBondContact CB-O 3.43Å; L1250-M1285 HydrophobicContact CD1-CE 3.47Å; L1250-M1285 VanDerWaalsContact CD1-CE 3.47Å; L1250-M1285 PolarHBondContact N-O 3.42Å; L1250-M1285 CarbonylContact O-C 3.55Å; L1250-M1285 PolarHBondContact O-N 2.98Å |
| 1251 | S | 52.8 | Low | 48.5 | Very low | 8 Ų | 8 | 70.6 Ų | 70.6 | 6% | 0.056 | 43% | 0.428 | C | S | . | . | trans | -101.9 | 140.8 | 168.3 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | A1210 E1253 T1254 N1284 | A1210-S1251 PolarHBondContact O-N 2.85Å; S1251-E1253 VanDerWaalsContact C-N 3.33Å; S1251-E1253 WeakPolarHBondContact OG-CB 3.47Å; S1251-E1253 PolarHBondContact OG-N 2.8Å; S1251-E1253 VanDerWaalsContact OG-N 3.08Å; S1251-T1254 PolarHBondContact O-OG1 2.74Å; S1251-N1284 PolarHBondContact OG-OD1 3.3Å | ||
| 1252 | T | 48.5 | Very low | 47.4 | Very low | 38 Ų | 38 | 73 Ų | 73 | 23% | 0.233 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -79.2 | -19.3 | 167 | 38.6 | 0 | 0 | 0 | 0 | 112.4 | T1254 A1281 H1283 N1284 | T1252-T1254 PolarHBondContact O-N 2.94Å; T1252-T1254 VanDerWaalsContact O-N 3.12Å; T1252-A1281 WeakPolarHBondContact CG2-O 3.38Å; T1252-H1283 VanDerWaalsContact CG2-O 3.3Å; T1252-H1283 WeakPolarHBondContact CG2-O 3.42Å; T1252-H1283 PolarHBondContact OG1-N 3.13Å; T1252-H1283 PolarHBondContact OG1-O 2.76Å; T1252-N1284 PolarHBondContact N-OD1 3.25Å; T1252-N1284 PolarHBondContact OG1-N 2.98Å; T1252-N1284 PolarHBondContact OG1-OD1 2.89Å |
| 1253 | E | 42.7 | Very low | 46.4 | Very low | 114 Ų | 114 | 73.3 Ų | 73.3 | 53% | 0.533 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 4.1 | -177.4 | -64.2 | 163.8 | -170.8 | 0 | 0 | 113.6 | S1251 N1284 H1313 | S1251-E1253 VanDerWaalsContact C-N 3.33Å; S1251-E1253 WeakPolarHBondContact OG-CB 3.47Å; S1251-E1253 PolarHBondContact OG-N 2.8Å; S1251-E1253 VanDerWaalsContact OG-N 3.08Å; E1253-N1284 VanDerWaalsContact CD-ND2 3.33Å; E1253-N1284 PolarHBondContact OE1-ND2 2.98Å; E1253-H1313 IonicContact OE1-CE1 3.5Å; E1253-H1313 IonicContact OE1-ND1 3.28Å; E1253-H1313 PolarHBondContact OE1-ND1 2.87Å |
| 1254 | T | 40.7 | Very low | 45.6 | Very low | 51 Ų | 51 | 75.1 Ų | 75.1 | 31% | 0.313 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131 | 12.7 | -172 | 53.6 | 0 | 0 | 0 | 0 | 115.1 | A1210 S1251 T1252 D1256 | A1210-T1254 VanDerWaalsContact CA-OG1 3.3Å; A1210-T1254 WeakPolarHBondContact CA-OG1 3.46Å; A1210-T1254 HydrophobicContact CB-CG2 4.25Å; A1210-T1254 WeakPolarHBondContact CB-OG1 3.26Å; S1251-T1254 PolarHBondContact O-OG1 2.74Å; T1252-T1254 PolarHBondContact O-N 2.94Å; T1252-T1254 VanDerWaalsContact O-N 3.12Å; T1254-D1256 VanDerWaalsContact C-N 3.27Å; T1254-D1256 PolarHBondContact O-N 2.91Å; T1254-D1256 VanDerWaalsContact O-N 3.1Å |
| 1255 | V | 37.9 | Very low | 44.7 | Very low | 101 Ų | 101 | 75.5 Ų | 75.5 | 61% | 0.612 | 43% | 0.428 | S | S | * | . | trans | -89.1 | 56.6 | -176.3 | -167 | 0 | 0 | 0 | 0 | 111.5 | G1257 | V1255-G1257 VanDerWaalsContact C-N 3.32Å; V1255-G1257 PolarHBondContact O-N 2.92Å | ||
| 1256 | D | 32.7 | Very low | 43.8 | Very low | 121 Ų | 121 | 80 Ų | 80 | 65% | 0.647 | 45% | 0.452 | S | S | * | . | trans | -76.9 | 75.5 | 178.8 | -96.5 | -25.3 | 0 | 0 | 0 | 112.4 | T1254 S1258 | T1254-D1256 VanDerWaalsContact C-N 3.27Å; T1254-D1256 PolarHBondContact O-N 2.91Å; T1254-D1256 VanDerWaalsContact O-N 3.1Å; D1256-S1258 WeakPolarHBondContact O-CB 3.07Å; D1256-S1258 PolarHBondContact O-N 3.38Å; D1256-S1258 PolarHBondContact O-OG 3.29Å | ||
| 1257 | G | 33.2 | Very low | 43.2 | Very low | 88 Ų | 88 | 76.4 Ų | 76.4 | 91% | 0.907 | 44% | 0.437 | S | S | * | . | S | Bend | trans | 59.3 | -2.4 | 145.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | V1255 | V1255-G1257 VanDerWaalsContact C-N 3.32Å; V1255-G1257 PolarHBondContact O-N 2.92Å |
| 1258 | S | 32.5 | Very low | 42.6 | Very low | 109 Ų | 109 | 78.5 Ų | 78.5 | 76% | 0.762 | 45% | 0.448 | S | S | * | . | trans | -127.6 | -28.7 | -161.8 | 55.5 | 0 | 0 | 0 | 0 | 115.5 | D1256 K1260 | D1256-S1258 WeakPolarHBondContact O-CB 3.07Å; D1256-S1258 PolarHBondContact O-N 3.38Å; D1256-S1258 PolarHBondContact O-OG 3.29Å; S1258-K1260 PolarHBondContact O-N 3.33Å | ||
| 1259 | S | 31.9 | Very low | 42.1 | Very low | 101 Ų | 101 | 80.3 Ų | 80.3 | 71% | 0.706 | 46% | 0.46 | S | S | * | . | trans | -92.6 | 91.8 | -178.1 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | G1261 | S1259-G1261 VanDerWaalsContact C-N 3.31Å; S1259-G1261 PolarHBondContact O-N 3.01Å | ||
| 1260 | K | 29.9 | Very low | 41.6 | Very low | 174 Ų | 174 | 82.9 Ų | 82.9 | 76% | 0.757 | 48% | 0.478 | S | S | * | . | trans | -66.2 | 82.8 | 170.3 | -82 | -169.2 | 168.8 | -168.4 | 0 | 111.6 | E971 S1258 | E971-K1260 IonicContact OE1-NZ 2.79Å; E971-K1260 PolarHBondContact OE1-NZ 3.14Å; S1258-K1260 PolarHBondContact O-N 3.33Å | ||
| 1261 | G | 37.6 | Very low | 41.2 | Very low | 35 Ų | 35 | 82.3 Ų | 82.3 | 36% | 0.361 | 48% | 0.475 | S | S | . | . | trans | -105 | 91.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1259 N1263 V1264 F1265 | S1259-G1261 VanDerWaalsContact C-N 3.31Å; S1259-G1261 PolarHBondContact O-N 3.01Å; G1261-N1263 PolarHBondContact O-N 3.1Å; G1261-N1263 VanDerWaalsContact O-N 3.16Å; G1261-V1264 PolarHBondContact O-N 2.76Å; G1261-F1265 PolarHBondContact O-N 3.11Å | ||
| 1262 | E | 36.1 | Very low | 40.8 | Very low | 161 Ų | 161 | 82.7 Ų | 82.7 | 75% | 0.752 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -51.9 | -41.9 | -174.7 | -62.4 | -178.4 | 134.5 | 0 | 0 | 112.7 | V1264 F1265 L1266 | E1262-V1264 VanDerWaalsContact C-N 3.32Å; E1262-V1264 PolarHBondContact O-N 2.73Å; E1262-F1265 PolarHBondContact O-N 3.31Å; E1262-L1266 WeakPolarHBondContact O-CB 3.24Å; E1262-L1266 WeakPolarHBondContact O-CG 3.34Å; E1262-L1266 PolarHBondContact O-N 2.71Å |
| 1263 | N | 41.9 | Very low | 40.6 | Very low | 121 Ų | 121 | 84.5 Ų | 84.5 | 65% | 0.647 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -29.5 | 176.9 | -74 | -37.4 | 0 | 0 | 0 | 114.3 | G1261 I1267 | G1261-N1263 PolarHBondContact O-N 3.1Å; G1261-N1263 VanDerWaalsContact O-N 3.16Å; N1263-I1267 WeakPolarHBondContact O-CB 3.22Å; N1263-I1267 VanDerWaalsContact O-CD1 3.3Å; N1263-I1267 WeakPolarHBondContact O-CD1 3.43Å; N1263-I1267 WeakPolarHBondContact O-CG1 3.43Å; N1263-I1267 PolarHBondContact O-N 3.48Å; N1263-I1267 VanDerWaalsContact O-N 3.13Å |
| 1264 | V | 42.5 | Very low | 40.7 | Very low | 56 Ų | 56 | 80.9 Ų | 80.9 | 34% | 0.339 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.6 | -42.7 | 175.3 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | L1250 G1261 E1262 L1266 I1267 I1268 | L1250-V1264 HydrophobicContact CD2-CG1 4.12Å; G1261-V1264 PolarHBondContact O-N 2.76Å; E1262-V1264 VanDerWaalsContact C-N 3.32Å; E1262-V1264 PolarHBondContact O-N 2.73Å; V1264-L1266 PolarHBondContact O-N 2.78Å; V1264-I1267 PolarHBondContact O-N 2.8Å; V1264-I1268 HydrophobicContact CG1-CD1 3.92Å; V1264-I1268 WeakPolarHBondContact O-CG1 3.25Å; V1264-I1268 PolarHBondContact O-N 3.39Å |
| 1265 | F | 41.7 | Very low | 40.8 | Very low | 118 Ų | 118 | 80.5 Ų | 80.5 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 176.8 | -154.8 | -108.4 | 0 | 0 | 0 | 111.6 | L970 G1261 E1262 I1268 L1269 | L970-F1265 HydrophobicContact CD2-CE1 4.39Å; G1261-F1265 PolarHBondContact O-N 3.11Å; E1262-F1265 PolarHBondContact O-N 3.31Å; F1265-I1268 PolarHBondContact O-N 2.84Å; F1265-L1269 HydrophobicContact CD1-CD1 3.57Å; F1265-L1269 HydrophobicContact CD1-CG 4.29Å; F1265-L1269 HydrophobicContact CE1-CD1 3.73Å; F1265-L1269 HydrophobicContact CE1-CG 4.36Å; F1265-L1269 HydrophobicContact CG-CD1 4.5Å; F1265-L1269 VanDerWaalsContact O-CB 3.3Å; F1265-L1269 WeakPolarHBondContact O-CB 3.26Å; F1265-L1269 VanDerWaalsContact O-CG 3.26Å; F1265-L1269 WeakPolarHBondContact O-CG 3.49Å; F1265-L1269 PolarHBondContact O-N 2.98Å |
| 1266 | L | 46.5 | Very low | 41 | Very low | 97 Ų | 97 | 82.8 Ų | 82.8 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.1 | -34.1 | 174.8 | -76.8 | 167.6 | 0 | 0 | 0 | 113.7 | E1262 V1264 S1270 | E1262-L1266 WeakPolarHBondContact O-CB 3.24Å; E1262-L1266 WeakPolarHBondContact O-CG 3.34Å; E1262-L1266 PolarHBondContact O-N 2.71Å; V1264-L1266 PolarHBondContact O-N 2.78Å; L1266-S1270 VanDerWaalsContact O-CB 3.3Å; L1266-S1270 WeakPolarHBondContact O-CB 3.32Å; L1266-S1270 PolarHBondContact O-N 2.71Å; L1266-S1270 PolarHBondContact O-OG 2.97Å |
| 1267 | I | 46.9 | Very low | 41.5 | Very low | 41 Ų | 41 | 80.3 Ų | 80.3 | 21% | 0.21 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -69.2 | -46.4 | 173.9 | -74.4 | 165.7 | 0 | 0 | 0 | 110.2 | L1250 N1263 V1264 L1269 S1270 I1271 L1287 | L1250-I1267 HydrophobicContact CD1-CG2 4.39Å; N1263-I1267 WeakPolarHBondContact O-CB 3.22Å; N1263-I1267 VanDerWaalsContact O-CD1 3.3Å; N1263-I1267 WeakPolarHBondContact O-CD1 3.43Å; N1263-I1267 WeakPolarHBondContact O-CG1 3.43Å; N1263-I1267 PolarHBondContact O-N 3.48Å; N1263-I1267 VanDerWaalsContact O-N 3.13Å; V1264-I1267 PolarHBondContact O-N 2.8Å; I1267-L1269 VanDerWaalsContact C-N 3.33Å; I1267-L1269 PolarHBondContact O-N 3.01Å; I1267-S1270 PolarHBondContact O-N 2.88Å; I1267-I1271 HydrophobicContact CG2-CD1 3.79Å; I1267-I1271 WeakPolarHBondContact O-CG1 3.3Å; I1267-I1271 PolarHBondContact O-N 2.99Å; I1267-L1287 HydrophobicContact CG2-CD2 4.17Å |
| 1268 | I | 46.8 | Very low | 41.9 | Very low | 49 Ų | 49 | 82.8 Ų | 82.8 | 25% | 0.251 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 176 | -67.1 | 169 | 0 | 0 | 0 | 110.5 | V1264 F1265 I1271 A1272 | V1264-I1268 HydrophobicContact CG1-CD1 3.92Å; V1264-I1268 WeakPolarHBondContact O-CG1 3.25Å; V1264-I1268 PolarHBondContact O-N 3.39Å; F1265-I1268 PolarHBondContact O-N 2.84Å; I1268-I1271 PolarHBondContact O-N 3.11Å; I1268-A1272 WeakPolarHBondContact O-CB 3.18Å; I1268-A1272 PolarHBondContact O-N 2.62Å |
| 1269 | L | 48.4 | Very low | 42.5 | Very low | 86 Ų | 86 | 82.6 Ų | 82.6 | 45% | 0.45 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 175.1 | -77.6 | 169.5 | 0 | 0 | 0 | 113.2 | F1265 I1267 I1271 A1272 A1273 | F1265-L1269 HydrophobicContact CD1-CD1 3.57Å; F1265-L1269 HydrophobicContact CD1-CG 4.29Å; F1265-L1269 HydrophobicContact CE1-CD1 3.73Å; F1265-L1269 HydrophobicContact CE1-CG 4.36Å; F1265-L1269 HydrophobicContact CG-CD1 4.5Å; F1265-L1269 VanDerWaalsContact O-CB 3.3Å; F1265-L1269 WeakPolarHBondContact O-CB 3.26Å; F1265-L1269 VanDerWaalsContact O-CG 3.26Å; F1265-L1269 WeakPolarHBondContact O-CG 3.49Å; F1265-L1269 PolarHBondContact O-N 2.98Å; I1267-L1269 VanDerWaalsContact C-N 3.33Å; I1267-L1269 PolarHBondContact O-N 3.01Å; L1269-I1271 VanDerWaalsContact C-N 3.33Å; L1269-I1271 PolarHBondContact O-N 3.25Å; L1269-A1272 CarbonylContact O-C 3.54Å; L1269-A1272 PolarHBondContact O-N 3.19Å; L1269-A1273 WeakPolarHBondContact O-CB 3.38Å; L1269-A1273 PolarHBondContact O-N 3.18Å |
| 1270 | S | 47.7 | Very low | 43 | Very low | 56 Ų | 56 | 78.3 Ų | 78.3 | 39% | 0.392 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 177.5 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | L1266 I1267 A1273 A1274 | L1266-S1270 VanDerWaalsContact O-CB 3.3Å; L1266-S1270 WeakPolarHBondContact O-CB 3.32Å; L1266-S1270 PolarHBondContact O-N 2.71Å; L1266-S1270 PolarHBondContact O-OG 2.97Å; I1267-S1270 PolarHBondContact O-N 2.88Å; S1270-A1273 PolarHBondContact O-N 3.26Å; S1270-A1274 WeakPolarHBondContact O-CB 3.44Å; S1270-A1274 PolarHBondContact O-N 2.86Å |
| 1271 | I | 45.6 | Very low | 43.6 | Very low | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.021 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -76.1 | -35 | 178 | -61.6 | 167.6 | 0 | 0 | 0 | 110.4 | I1267 I1268 L1269 A1273 A1274 V1275 I1280 M1285 L1287 W1336 | I1267-I1271 HydrophobicContact CG2-CD1 3.79Å; I1267-I1271 WeakPolarHBondContact O-CG1 3.3Å; I1267-I1271 PolarHBondContact O-N 2.99Å; I1268-I1271 PolarHBondContact O-N 3.11Å; L1269-I1271 VanDerWaalsContact C-N 3.33Å; L1269-I1271 PolarHBondContact O-N 3.25Å; I1271-A1273 PolarHBondContact O-N 3.39Å; I1271-A1274 PolarHBondContact O-N 3.13Å; I1271-A1274 VanDerWaalsContact O-N 3.11Å; I1271-V1275 PolarHBondContact O-N 2.95Å; I1271-I1280 HydrophobicContact CG2-CD1 3.79Å; I1271-I1280 VanDerWaalsContact O-CD1 3.31Å; I1271-I1280 WeakPolarHBondContact O-CD1 3.37Å; I1271-M1285 HydrophobicContact CB-SD 4.49Å; I1271-M1285 HydrophobicContact CD1-CE 3.53Å; I1271-M1285 HydrophobicContact CD1-SD 3.73Å; I1271-M1285 HydrophobicContact CG2-SD 3.93Å; I1271-L1287 HydrophobicContact CD1-CD1 4.06Å; I1271-W1336 HydrophobicContact CD1-CH2 4.13Å; I1271-W1336 HydrophobicContact CD1-CZ3 3.9Å; I1271-W1336 HydrophobicContact CG1-CE3 4.35Å; I1271-W1336 HydrophobicContact CG1-CH2 3.68Å; I1271-W1336 HydrophobicContact CG1-CZ2 4.44Å; I1271-W1336 HydrophobicContact CG1-CZ3 3.63Å |
| 1272 | A | 45.2 | Very low | 43.9 | Very low | 16 Ų | 16 | 79.4 Ų | 79.4 | 13% | 0.132 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.8 | -11.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1268 L1269 I1280 | I1268-A1272 WeakPolarHBondContact O-CB 3.18Å; I1268-A1272 PolarHBondContact O-N 2.62Å; L1269-A1272 CarbonylContact O-C 3.54Å; L1269-A1272 PolarHBondContact O-N 3.19Å; A1272-I1280 HydrophobicContact CB-CD1 4.2Å; A1272-I1280 HydrophobicContact CB-CG1 4.35Å |
| 1273 | A | 44.4 | Very low | 44.5 | Very low | 75 Ų | 75 | 73.2 Ų | 73.2 | 62% | 0.62 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -96.1 | -21.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1269 S1270 I1271 | L1269-A1273 WeakPolarHBondContact O-CB 3.38Å; L1269-A1273 PolarHBondContact O-N 3.18Å; S1270-A1273 PolarHBondContact O-N 3.26Å; I1271-A1273 PolarHBondContact O-N 3.39Å |
| 1274 | A | 44.5 | Very low | 45 | Very low | 39 Ų | 39 | 67.7 Ų | 67.7 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -86.5 | -28.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1270 I1271 W1336 | S1270-A1274 WeakPolarHBondContact O-CB 3.44Å; S1270-A1274 PolarHBondContact O-N 2.86Å; I1271-A1274 PolarHBondContact O-N 3.13Å; I1271-A1274 VanDerWaalsContact O-N 3.11Å; A1274-W1336 HydrophobicContact CB-CG 4.3Å |
| 1275 | V | 43.5 | Very low | 45.5 | Very low | 42 Ų | 42 | 65.4 Ų | 65.4 | 26% | 0.255 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -94.4 | 131.1 | 165.7 | -170.9 | 0 | 0 | 0 | 0 | 108.1 | I1271 D1277 I1280 | I1271-V1275 PolarHBondContact O-N 2.95Å; V1275-D1277 PolarHBondContact O-N 2.85Å; V1275-I1280 HydrophobicContact CB-CD1 3.88Å; V1275-I1280 HydrophobicContact CG2-CD1 3.7Å |
| 1276 | E | 42.2 | Very low | 45.9 | Very low | 150 Ų | 150 | 60 Ų | 60 | 70% | 0.701 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -68.1 | -1.8 | -172.8 | -53 | -152.1 | 137.8 | 0 | 0 | 115.1 | R165 | R165-E1276 IonicContact CZ-OE1 3.44Å; R165-E1276 IonicContact CZ-OE2 2.71Å; R165-E1276 IonicContact NE-OE1 2.78Å; R165-E1276 IonicContact NE-OE2 3.58Å; R165-E1276 PolarHBondContact NE-OE2 3.25Å; R165-E1276 IonicContact NH2-OE1 2.67Å; R165-E1276 PolarHBondContact NH2-OE1 3.16Å; R165-E1276 IonicContact NH2-OE2 3.8Å; R165-E1276 PolarHBondContact NH2-OE2 2.89Å |
| 1277 | D | 42.4 | Very low | 46.1 | Very low | 69 Ų | 69 | 55.8 Ų | 55.8 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -117.3 | 113.5 | -173.6 | -156 | 14 | 0 | 0 | 0 | 111.2 | V1275 K1279 | V1275-D1277 PolarHBondContact O-N 2.85Å; D1277-K1279 PolarHBondContact O-N 3.24Å; D1277-K1279 IonicContact OD1-NZ 3.8Å; D1277-K1279 PolarHBondContact OD1-NZ 3.35Å; D1277-K1279 IonicContact OD2-NZ 2.9Å; D1277-K1279 PolarHBondContact OD2-NZ 3.21Å |
| 1278 | N | 42.6 | Very low | 46.4 | Very low | 140 Ų | 140 | 54 Ų | 54 | 75% | 0.749 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 44.7 | -165 | -148.9 | -0.9 | 0 | 0 | 0 | 113 | ||
| 1279 | K | 44.1 | Very low | 46.5 | Very low | 104 Ų | 104 | 52.3 Ų | 52.3 | 45% | 0.452 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 4.3 | -169.2 | -56.7 | -164.4 | -169.9 | 73.2 | 0 | 115.3 | D1277 A1281 E1282 | D1277-K1279 PolarHBondContact O-N 3.24Å; D1277-K1279 IonicContact OD1-NZ 3.8Å; D1277-K1279 PolarHBondContact OD1-NZ 3.35Å; D1277-K1279 IonicContact OD2-NZ 2.9Å; D1277-K1279 PolarHBondContact OD2-NZ 3.21Å; K1279-A1281 PolarHBondContact O-N 3.17Å; K1279-E1282 PolarHBondContact O-N 3.41Å; K1279-E1282 VanDerWaalsContact O-N 3.13Å |
| 1280 | I | 43.1 | Very low | 46.6 | Very low | 12 Ų | 12 | 48.2 Ų | 48.2 | 6% | 0.062 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -60.5 | -17.4 | -172.7 | -48.7 | -171.3 | 0 | 0 | 0 | 113.3 | I1271 A1272 V1275 E1282 H1283 | I1271-I1280 HydrophobicContact CG2-CD1 3.79Å; I1271-I1280 VanDerWaalsContact O-CD1 3.31Å; I1271-I1280 WeakPolarHBondContact O-CD1 3.37Å; A1272-I1280 HydrophobicContact CB-CD1 4.2Å; A1272-I1280 HydrophobicContact CB-CG1 4.35Å; V1275-I1280 HydrophobicContact CB-CD1 3.88Å; V1275-I1280 HydrophobicContact CG2-CD1 3.7Å; I1280-E1282 PolarHBondContact O-N 3.29Å; I1280-H1283 HydrophobicContact CG2-CB 4.48Å; I1280-H1283 PolarHBondContact O-N 3.49Å |
| 1281 | A | 42.1 | Very low | 46.6 | Very low | 80 Ų | 80 | 47.9 Ų | 47.9 | 66% | 0.661 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -54.7 | -14.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115 | T1252 K1279 | T1252-A1281 WeakPolarHBondContact CG2-O 3.38Å; K1279-A1281 PolarHBondContact O-N 3.17Å |
| 1282 | E | 44.4 | Very low | 46.7 | Very low | 151 Ų | 151 | 49.7 Ų | 49.7 | 71% | 0.706 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -104.3 | 11.4 | 177.2 | -58 | 179.7 | 168.6 | 0 | 0 | 113.6 | K1279 I1280 | K1279-E1282 PolarHBondContact O-N 3.41Å; K1279-E1282 VanDerWaalsContact O-N 3.13Å; I1280-E1282 PolarHBondContact O-N 3.29Å |
| 1283 | H | 49 | Very low | 47 | Very low | 32 Ų | 32 | 51.5 Ų | 51.5 | 15% | 0.148 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -131.7 | 123.5 | -168.1 | -62.5 | -10.6 | 0 | 0 | 0 | 114.7 | T1252 I1280 Y1316 | T1252-H1283 VanDerWaalsContact CG2-O 3.3Å; T1252-H1283 WeakPolarHBondContact CG2-O 3.42Å; T1252-H1283 PolarHBondContact OG1-N 3.13Å; T1252-H1283 PolarHBondContact OG1-O 2.76Å; I1280-H1283 HydrophobicContact CG2-CB 4.48Å; I1280-H1283 PolarHBondContact O-N 3.49Å; H1283-Y1316 HydrophobicContact CB-CD2 4.03Å; H1283-Y1316 HydrophobicContact CB-CE2 3.78Å; H1283-Y1316 AromaticContact CD2-CE2 3.43Å; H1283-Y1316 VanDerWaalsContact CD2-CE2 3.43Å; H1283-Y1316 WeakPolarHBondContact CD2-CE2 3.08Å; H1283-Y1316 AromaticContact CD2-CZ 3.83Å; H1283-Y1316 AromaticContact CG-CE2 3.79Å |
| 1284 | N | 51.7 | Low | 47.6 | Very low | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 139.8 | 178.2 | -60.9 | -29.4 | 0 | 0 | 0 | 111.7 | S1251 T1252 E1253 W1315 Y1316 | S1251-N1284 PolarHBondContact OG-OD1 3.3Å; T1252-N1284 PolarHBondContact N-OD1 3.25Å; T1252-N1284 PolarHBondContact OG1-N 2.98Å; T1252-N1284 PolarHBondContact OG1-OD1 2.89Å; E1253-N1284 VanDerWaalsContact CD-ND2 3.33Å; E1253-N1284 PolarHBondContact OE1-ND2 2.98Å; N1284-W1315 HydrophobicContact CB-CD2 3.87Å; N1284-W1315 HydrophobicContact CB-CE3 3.67Å; N1284-W1315 HydrophobicContact CB-CH2 3.55Å; N1284-W1315 HydrophobicContact CB-CZ2 3.74Å; N1284-W1315 HydrophobicContact CB-CZ3 3.5Å; N1284-W1315 VanDerWaalsContact CB-CZ3 3.5Å; N1284-W1315 WeakPolarHBondContact ND2-CZ2 3.47Å; N1284-W1315 WeakPolarHBondContact O-CA 3.09Å; N1284-Y1316 PolarHBondContact O-N 2.96Å |
| 1285 | M | 52.5 | Low | 48.3 | Very low | 9 Ų | 9 | 55.1 Ų | 55.1 | 4% | 0.044 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 124.2 | -159 | -169.5 | -179.9 | 75.1 | 0 | 0 | 113.7 | L1250 I1271 | L1250-M1285 CarbonylContact C-O 3.35Å; L1250-M1285 WeakPolarHBondContact CA-O 3.15Å; L1250-M1285 HydrophobicContact CB-CE 4.49Å; L1250-M1285 WeakPolarHBondContact CB-O 3.43Å; L1250-M1285 HydrophobicContact CD1-CE 3.47Å; L1250-M1285 VanDerWaalsContact CD1-CE 3.47Å; L1250-M1285 PolarHBondContact N-O 3.42Å; L1250-M1285 CarbonylContact O-C 3.55Å; L1250-M1285 PolarHBondContact O-N 2.98Å; I1271-M1285 HydrophobicContact CB-SD 4.49Å; I1271-M1285 HydrophobicContact CD1-CE 3.53Å; I1271-M1285 HydrophobicContact CD1-SD 3.73Å; I1271-M1285 HydrophobicContact CG2-SD 3.93Å |
| 1286 | V | 50.9 | Low | 49.4 | Very low | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.03 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 111.9 | 176.8 | -171 | 0 | 0 | 0 | 0 | 108.8 | V1230 L1249 V1288 W1315 Y1316 L1317 T1318 | V1230-V1286 HydrophobicContact CG1-CG2 4.33Å; L1249-V1286 HydrophobicContact CD2-CB 4.4Å; L1249-V1286 HydrophobicContact CD2-CG1 3.89Å; L1249-V1286 HydrophobicContact CD2-CG2 3.92Å; L1249-V1286 HydrophobicContact CG-CG1 4.17Å; V1286-V1288 HydrophobicContact CG1-CG2 4.31Å; V1286-W1315 HydrophobicContact CG2-CE3 4.3Å; V1286-W1315 HydrophobicContact CG2-CZ3 4.5Å; V1286-Y1316 PolarHBondContact N-O 2.92Å; V1286-L1317 HydrophobicContact CB-CD1 3.72Å; V1286-L1317 HydrophobicContact CG1-CD1 3.56Å; V1286-L1317 WeakPolarHBondContact O-CA 3.48Å; V1286-T1318 PolarHBondContact O-N 2.85Å |
| 1287 | L | 50.8 | Low | 50.6 | Low | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129 | 176 | -169.8 | 74.8 | 0 | 0 | 0 | 110.1 | K1248 I1267 I1271 T1318 W1336 | K1248-L1287 CarbonylContact C-O 3.57Å; K1248-L1287 HydrophobicContact CB-CB 4.33Å; K1248-L1287 HydrophobicContact CB-CD2 4.45Å; K1248-L1287 HydrophobicContact CD-CD2 4.42Å; K1248-L1287 PolarHBondContact N-O 2.93Å; K1248-L1287 CarbonylContact O-C 3.56Å; K1248-L1287 WeakPolarHBondContact O-CA 3.3Å; K1248-L1287 VanDerWaalsContact O-CB 3.25Å; K1248-L1287 WeakPolarHBondContact O-CB 3.17Å; K1248-L1287 PolarHBondContact O-N 2.83Å; I1267-L1287 HydrophobicContact CG2-CD2 4.17Å; I1271-L1287 HydrophobicContact CD1-CD1 4.06Å; L1287-T1318 HydrophobicContact CD1-CG2 4.05Å; L1287-W1336 HydrophobicContact CD1-CZ3 4.22Å |
| 1288 | V | 52 | Low | 51.6 | Low | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 106.1 | 179.1 | 178 | 0 | 0 | 0 | 0 | 108.8 | M1245 L1247 V1286 L1317 T1318 F1319 Q1320 F1362 | M1245-V1288 HydrophobicContact CE-CG1 4.34Å; M1245-V1288 HydrophobicContact SD-CG1 4.13Å; L1247-V1288 HydrophobicContact CD2-CB 3.99Å; L1247-V1288 HydrophobicContact CD2-CG1 3.59Å; L1247-V1288 HydrophobicContact CD2-CG2 3.67Å; V1286-V1288 HydrophobicContact CG1-CG2 4.31Å; V1288-L1317 HydrophobicContact CG2-CD1 3.78Å; V1288-T1318 PolarHBondContact N-O 3.47Å; V1288-F1319 HydrophobicContact CB-CD1 3.6Å; V1288-F1319 HydrophobicContact CB-CE1 3.72Å; V1288-F1319 HydrophobicContact CG1-CD1 3.64Å; V1288-F1319 HydrophobicContact CG1-CE1 3.62Å; V1288-F1319 HydrophobicContact CG2-CD1 4.42Å; V1288-F1319 HydrophobicContact CG2-CE1 4.09Å; V1288-F1319 CarbonylContact O-C 3.4Å; V1288-F1319 VanDerWaalsContact O-CA 3.3Å; V1288-F1319 WeakPolarHBondContact O-CA 3.32Å; V1288-Q1320 PolarHBondContact O-N 2.76Å; V1288-F1362 HydrophobicContact CG1-CZ 4.28Å |
| 1289 | A | 48.7 | Very low | 52.3 | Low | 13 Ų | 13 | 48.6 Ų | 48.6 | 11% | 0.107 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 151.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1246 Q1320 T1322 | F1246-A1289 CarbonylContact C-O 3.54Å; F1246-A1289 HydrophobicContact CB-CB 4.38Å; F1246-A1289 PolarHBondContact N-O 2.89Å; F1246-A1289 CarbonylContact O-C 3.53Å; F1246-A1289 WeakPolarHBondContact O-CA 3.35Å; F1246-A1289 WeakPolarHBondContact O-CB 3.35Å; F1246-A1289 PolarHBondContact O-N 2.85Å; A1289-Q1320 VanDerWaalsContact CA-O 3.3Å; A1289-Q1320 WeakPolarHBondContact CA-O 3.41Å; A1289-Q1320 HydrophobicContact CB-CB 4.21Å; A1289-T1322 HydrophobicContact CB-CG2 4.4Å |
| 1290 | G | 50.8 | Low | 53.4 | Low | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.1 | 170.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1320 A1321 T1322 | G1290-Q1320 PolarHBondContact N-O 3.36Å; G1290-A1321 CarbonylContact O-C 3.42Å; G1290-A1321 WeakPolarHBondContact O-CA 3.3Å; G1290-T1322 VanDerWaalsContact C-OG1 3.24Å; G1290-T1322 PolarHBondContact O-N 2.95Å; G1290-T1322 PolarHBondContact O-OG1 3.25Å |
| 1291 | P | 47.6 | Very low | 54.4 | Low | 50 Ų | 50 | 48.6 Ų | 48.6 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | trans | -51 | 140.5 | 173.7 | -28.1 | 34.1 | 0 | 0 | 0 | 113 | E1244 L1294 | E1244-P1291 WeakPolarHBondContact O-CD 3.26Å; E1244-P1291 WeakPolarHBondContact O-CG 3.41Å; P1291-L1294 HydrophobicContact CG-CD1 4.38Å; P1291-L1294 VanDerWaalsContact O-CB 3.22Å; P1291-L1294 WeakPolarHBondContact O-CB 3.45Å; P1291-L1294 PolarHBondContact O-N 2.82Å | ||
| 1292 | A | 48.3 | Very low | 55.7 | Low | 42 Ų | 42 | 46.3 Ų | 46.3 | 35% | 0.347 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 147.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1294 A1321 F1362 | A1292-L1294 VanDerWaalsContact C-N 3.25Å; A1292-L1294 PolarHBondContact O-N 2.97Å; A1292-A1321 HydrophobicContact CB-CB 4.28Å; A1292-F1362 WeakPolarHBondContact CA-OXT 3.05Å |
| 1293 | G | 50.5 | Low | 56.5 | Low | 53 Ų | 53 | 40.7 Ų | 40.7 | 55% | 0.546 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 6.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q1295 F1362 | G1293-Q1295 PolarHBondContact O-N 2.79Å; G1293-F1362 PolarHBondContact N-O 3.06Å |
| 1294 | L | 58.7 | Low | 57.1 | Low | 21 Ų | 21 | 41.5 Ų | 41.5 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | trans | -65.6 | 116.3 | -177.6 | -174.7 | 157.5 | 0 | 0 | 0 | 111.7 | L1239 M1245 P1291 A1292 F1296 | L1239-L1294 HydrophobicContact CD2-CD1 3.67Å; L1239-L1294 HydrophobicContact CD2-CD2 3.73Å; L1239-L1294 HydrophobicContact CD2-CG 3.91Å; M1245-L1294 HydrophobicContact CB-CD1 4.43Å; M1245-L1294 HydrophobicContact CE-CD1 3.75Å; M1245-L1294 HydrophobicContact CE-CD2 3.58Å; M1245-L1294 HydrophobicContact CE-CG 4.3Å; P1291-L1294 HydrophobicContact CG-CD1 4.38Å; P1291-L1294 VanDerWaalsContact O-CB 3.22Å; P1291-L1294 WeakPolarHBondContact O-CB 3.45Å; P1291-L1294 PolarHBondContact O-N 2.82Å; A1292-L1294 VanDerWaalsContact C-N 3.25Å; A1292-L1294 PolarHBondContact O-N 2.97Å; L1294-F1296 HydrophobicContact CD2-CD1 4.2Å; L1294-F1296 HydrophobicContact CD2-CE1 3.88Å; L1294-F1296 HydrophobicContact CD2-CE2 4.36Å; L1294-F1296 HydrophobicContact CD2-CZ 3.99Å | ||
| 1295 | Q | 58.1 | Low | 57.1 | Low | 170 Ų | 170 | 42.5 Ų | 42.5 | 79% | 0.794 | 26% | 0.256 | S | S | * | . | trans | -104.7 | 137.8 | 176.4 | -64.8 | -175.2 | 3.6 | 0 | 0 | 111 | G1293 | G1293-Q1295 PolarHBondContact O-N 2.79Š| ||
| 1296 | F | 66.3 | Low | 56.8 | Low | 72 Ų | 72 | 53.3 Ų | 53.3 | 32% | 0.316 | 30% | 0.296 | S | S | . | . | trans | -89.5 | 128.6 | 171.2 | -62.5 | -68.6 | 0 | 0 | 0 | 111.3 | A1238 L1239 M1245 L1294 S1298 V1300 | A1238-F1296 HydrophobicContact CB-CD1 4.43Å; A1238-F1296 CarbonylContact O-C 3.47Å; A1238-F1296 VanDerWaalsContact O-CA 3.27Å; A1238-F1296 WeakPolarHBondContact O-CA 3.23Å; L1239-F1296 HydrophobicContact CD2-CE1 4.25Å; M1245-F1296 HydrophobicContact CE-CE1 4.01Å; M1245-F1296 HydrophobicContact CE-CE2 4.49Å; M1245-F1296 HydrophobicContact CE-CZ 3.54Å; M1245-F1296 HydrophobicContact SD-CE1 4.03Å; M1245-F1296 HydrophobicContact SD-CZ 3.75Å; L1294-F1296 HydrophobicContact CD2-CD1 4.2Å; L1294-F1296 HydrophobicContact CD2-CE1 3.88Å; L1294-F1296 HydrophobicContact CD2-CE2 4.36Å; L1294-F1296 HydrophobicContact CD2-CZ 3.99Å; F1296-S1298 VanDerWaalsContact C-N 3.28Å; F1296-V1300 HydrophobicContact CD1-CG2 3.57Å; F1296-V1300 HydrophobicContact CD2-CG2 4.1Å; F1296-V1300 HydrophobicContact CE1-CG2 3.52Å; F1296-V1300 HydrophobicContact CE2-CG2 4.04Å; F1296-V1300 HydrophobicContact CG-CG2 3.86Å; F1296-V1300 HydrophobicContact CZ-CG2 3.73Å | ||
| 1297 | S | 67.2 | Low | 56.4 | Low | 86 Ų | 86 | 55.8 Ų | 55.8 | 60% | 0.601 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -73.1 | -22.9 | 172.8 | 80.8 | 0 | 0 | 0 | 0 | 113 | N1237 A1238 | N1237-S1297 PolarHBondContact O-OG 2.95Å; A1238-S1297 WeakPolarHBondContact CA-OG 3.43Å; A1238-S1297 PolarHBondContact O-N 2.87Å |
| 1298 | S | 63.4 | Low | 56.1 | Low | 42 Ų | 42 | 55.9 Ų | 55.9 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -142.1 | 149.3 | -169.3 | -60.2 | 0 | 0 | 0 | 0 | 110 | F1296 V1300 | F1296-S1298 VanDerWaalsContact C-N 3.28Å; S1298-V1300 PolarHBondContact O-N 3.41Å |
| 1299 | P | 57.3 | Low | 55.6 | Low | 64 Ų | 64 | 62.9 Ų | 62.9 | 42% | 0.416 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 130.3 | -175.3 | -20.5 | 32.6 | 0 | 0 | 0 | 113 | P1235 T1356 | P1235-P1299 WeakPolarHBondContact CD-O 3.42Å; P1235-P1299 WeakPolarHBondContact CG-O 3.45Å; P1299-T1356 HydrophobicContact CB-CG2 3.77Å; P1299-T1356 HydrophobicContact CG-CG2 3.61Å |
| 1300 | V | 67.4 | Low | 55.2 | Low | 17 Ų | 17 | 64.6 Ų | 64.6 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 129.2 | 170.2 | 176.7 | 0 | 0 | 0 | 0 | 109.2 | L1232 K1233 V1234 F1296 S1298 | L1232-V1300 HydrophobicContact CD1-CG1 3.71Å; L1232-V1300 HydrophobicContact CD2-CG1 4.45Å; L1232-V1300 HydrophobicContact CG-CG1 4.01Å; K1233-V1300 WeakPolarHBondContact O-CG1 3.36Å; V1234-V1300 HydrophobicContact CG1-CG2 4.43Å; V1234-V1300 HydrophobicContact CG2-CG1 4.02Å; V1234-V1300 HydrophobicContact CG2-CG2 4.32Å; F1296-V1300 HydrophobicContact CD1-CG2 3.57Å; F1296-V1300 HydrophobicContact CD2-CG2 4.1Å; F1296-V1300 HydrophobicContact CE1-CG2 3.52Å; F1296-V1300 HydrophobicContact CE2-CG2 4.04Å; F1296-V1300 HydrophobicContact CG-CG2 3.86Å; F1296-V1300 HydrophobicContact CZ-CG2 3.73Å; S1298-V1300 PolarHBondContact O-N 3.41Å |
| 1301 | E | 63.9 | Low | 54.6 | Low | 98 Ų | 98 | 73.3 Ų | 73.3 | 46% | 0.458 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 124.4 | -176.6 | -160 | -164.4 | 142.5 | 0 | 0 | 110.3 | L1232 K1233 C1303 | L1232-E1301 CarbonylContact C-O 3.46Å; L1232-E1301 WeakPolarHBondContact CA-O 3.41Å; K1233-E1301 HydrophobicContact CB-CB 4.19Å; K1233-E1301 WeakPolarHBondContact CD-OE2 3.49Å; K1233-E1301 PolarHBondContact N-O 3.46Å; K1233-E1301 IonicContact NZ-OE1 2.71Å; K1233-E1301 PolarHBondContact NZ-OE1 2.77Å; K1233-E1301 IonicContact NZ-OE2 2.72Å; K1233-E1301 PolarHBondContact NZ-OE2 3.46Å; K1233-E1301 PolarHBondContact O-N 3.41Å; E1301-C1303 PolarHBondContact OE1-SG 3.31Å |
| 1302 | L | 69.2 | Low | 54.3 | Low | 32 Ų | 32 | 77.4 Ų | 77.4 | 17% | 0.168 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 100.8 | 170.5 | 177.4 | 60.7 | 0 | 0 | 0 | 109.2 | V1230 C1231 L1232 L1304 L1317 | V1230-L1302 HydrophobicContact CG1-CD1 4.19Å; C1231-L1302 CarbonylContact O-C 3.58Å; L1232-L1302 HydrophobicContact CB-CD1 4.43Å; L1232-L1302 HydrophobicContact CD1-CB 3.88Å; L1232-L1302 HydrophobicContact CD1-CD1 3.91Å; L1232-L1302 HydrophobicContact CD1-CG 4.41Å; L1302-L1304 HydrophobicContact CD1-CD2 4.1Å; L1302-L1304 HydrophobicContact CD2-CD1 4.28Å; L1302-L1304 HydrophobicContact CD2-CD2 4.3Å; L1302-L1304 HydrophobicContact CD2-CG 4.41Å; L1302-L1304 HydrophobicContact CG-CD1 4.36Å; L1302-L1304 HydrophobicContact CG-CD2 4.04Å; L1302-L1304 HydrophobicContact CG-CG 4.02Å; L1302-L1317 HydrophobicContact CD2-CD1 4.28Å; L1302-L1317 HydrophobicContact CD2-CD2 3.87Å |
| 1303 | C | 62.5 | Low | 54.2 | Low | 33 Ų | 33 | 78.7 Ų | 78.7 | 22% | 0.223 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 131.2 | 171.7 | -41.9 | 0 | 0 | 0 | 0 | 109.4 | V1230 C1231 K1233 E1301 | V1230-C1303 WeakPolarHBondContact CA-O 3.45Å; C1231-C1303 HydrophobicContact CB-CB 3.99Å; C1231-C1303 PolarHBondContact N-O 3.05Å; C1231-C1303 VanDerWaalsContact N-O 3.1Å; C1231-C1303 PolarHBondContact O-N 2.93Å; K1233-C1303 WeakPolarHBondContact CE-SG 3.22Å; E1301-C1303 PolarHBondContact OE1-SG 3.31Å |
| 1304 | L | 60.2 | Low | 54 | Low | 49 Ų | 49 | 82.1 Ų | 82.1 | 26% | 0.257 | 41% | 0.409 | S | S | . | . | trans | -130.7 | 140.6 | 177.9 | -63.4 | 171.6 | 0 | 0 | 0 | 109.1 | V1230 L1302 V1308 | V1230-L1304 HydrophobicContact CG1-CD2 4.06Å; V1230-L1304 HydrophobicContact CG2-CD2 3.91Å; L1302-L1304 HydrophobicContact CD1-CD2 4.1Å; L1302-L1304 HydrophobicContact CD2-CD1 4.28Å; L1302-L1304 HydrophobicContact CD2-CD2 4.3Å; L1302-L1304 HydrophobicContact CD2-CG 4.41Å; L1302-L1304 HydrophobicContact CG-CD1 4.36Å; L1302-L1304 HydrophobicContact CG-CD2 4.04Å; L1302-L1304 HydrophobicContact CG-CG 4.02Å; L1304-V1308 HydrophobicContact CB-CB 4.47Å; L1304-V1308 HydrophobicContact CB-CG2 3.92Å; L1304-V1308 HydrophobicContact CD1-CG1 4.36Å | ||
| 1305 | P | 53.7 | Low | 53.7 | Low | 26 Ų | 26 | 82 Ų | 82 | 17% | 0.169 | 41% | 0.408 | C | S | . | . | trans | -66.2 | 153.9 | 178.3 | 32.4 | -41.5 | 0 | 0 | 0 | 111.6 | T1228 V1230 C1307 V1308 | T1228-P1305 VanDerWaalsContact O-CG 3.23Å; T1228-P1305 WeakPolarHBondContact O-CG 3.27Å; V1230-P1305 HydrophobicContact CG2-CG 4.44Å; P1305-C1307 WeakPolarHBondContact CG-SG 3.15Å; P1305-C1307 PolarHBondContact O-N 2.88Å; P1305-V1308 HydrophobicContact CG-CG2 3.65Å; P1305-V1308 WeakPolarHBondContact O-CB 3.19Å; P1305-V1308 VanDerWaalsContact O-CG2 3.27Å; P1305-V1308 WeakPolarHBondContact O-CG2 3.34Å; P1305-V1308 PolarHBondContact O-N 2.92Å | ||
| 1306 | R | 45.3 | Very low | 53.4 | Low | 236 Ų | 236 | 75.9 Ų | 75.9 | 89% | 0.891 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -58.5 | -22.2 | 179.1 | -81.1 | -178.3 | 171.7 | 159 | -0.8 | 114.1 | V1308 F1309 | R1306-V1308 VanDerWaalsContact C-N 3.26Å; R1306-V1308 PolarHBondContact O-N 2.91Å; R1306-F1309 PolarHBondContact O-N 3.05Å |
| 1307 | C | 43.4 | Very low | 52.9 | Low | 57 Ų | 57 | 73.2 Ų | 73.2 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -68.3 | -18.1 | 176.8 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | P1305 F1309 S1310 | P1305-C1307 WeakPolarHBondContact CG-SG 3.15Å; P1305-C1307 PolarHBondContact O-N 2.88Å; C1307-F1309 PolarHBondContact O-N 2.96Å; C1307-F1309 VanDerWaalsContact O-N 3.16Å; C1307-S1310 WeakPolarHBondContact O-CB 3.27Å; C1307-S1310 PolarHBondContact O-N 2.89Å; C1307-S1310 PolarHBondContact O-OG 3.2Å |
| 1308 | V | 42.8 | Very low | 52.2 | Low | 9 Ų | 9 | 69.2 Ų | 69.2 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -59.8 | -23.7 | 173.8 | 176.1 | 0 | 0 | 0 | 0 | 112.5 | L1304 P1305 R1306 W1315 | L1304-V1308 HydrophobicContact CB-CB 4.47Å; L1304-V1308 HydrophobicContact CB-CG2 3.92Å; L1304-V1308 HydrophobicContact CD1-CG1 4.36Å; P1305-V1308 HydrophobicContact CG-CG2 3.65Å; P1305-V1308 WeakPolarHBondContact O-CB 3.19Å; P1305-V1308 VanDerWaalsContact O-CG2 3.27Å; P1305-V1308 WeakPolarHBondContact O-CG2 3.34Å; P1305-V1308 PolarHBondContact O-N 2.92Å; R1306-V1308 VanDerWaalsContact C-N 3.26Å; R1306-V1308 PolarHBondContact O-N 2.91Å; V1308-W1315 HydrophobicContact CG1-CB 4.21Å; V1308-W1315 HydrophobicContact CG1-CG 4.08Å; V1308-W1315 HydrophobicContact CG2-CD2 4.2Å; V1308-W1315 HydrophobicContact CG2-CG 3.92Å; V1308-W1315 VanDerWaalsContact CG2-NE1 3.33Å |
| 1309 | F | 42.8 | Very low | 51.7 | Low | 150 Ų | 150 | 68.2 Ų | 68.2 | 66% | 0.658 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -93.1 | 7.1 | 177.8 | -55.2 | -75.5 | 0 | 0 | 0 | 113.4 | R1306 C1307 | R1306-F1309 PolarHBondContact O-N 3.05Å; C1307-F1309 PolarHBondContact O-N 2.96Å; C1307-F1309 VanDerWaalsContact O-N 3.16Å |
| 1310 | S | 39.6 | Very low | 51.3 | Low | 49 Ų | 49 | 68.8 Ų | 68.8 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -88.6 | 153 | 169.8 | 75.9 | 0 | 0 | 0 | 0 | 111.1 | C1307 L1312 | C1307-S1310 WeakPolarHBondContact O-CB 3.27Å; C1307-S1310 PolarHBondContact O-N 2.89Å; C1307-S1310 PolarHBondContact O-OG 3.2Å; S1310-L1312 PolarHBondContact O-N 2.85Å |
| 1311 | E | 39 | Very low | 50.3 | Low | 183 Ų | 183 | 69.6 Ų | 69.6 | 86% | 0.855 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 2.9 | -177 | -63.9 | 175.6 | 160.1 | 0 | 0 | 113.6 | ||
| 1312 | L | 41.1 | Very low | 49.4 | Very low | 137 Ų | 137 | 68.5 Ų | 68.5 | 72% | 0.717 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -21 | -174.4 | -69 | 169.1 | 0 | 0 | 0 | 115 | S1310 | S1310-L1312 PolarHBondContact O-N 2.85Š|
| 1313 | H | 45.9 | Very low | 47.7 | Very low | 68 Ų | 68 | 72.7 Ų | 72.7 | 32% | 0.315 | 36% | 0.357 | S | S | . | . | trans | -121.7 | 100.1 | -178.2 | -63.7 | -91.9 | 0 | 0 | 0 | 111.2 | E1253 | E1253-H1313 IonicContact OE1-CE1 3.5Å; E1253-H1313 IonicContact OE1-ND1 3.28Å; E1253-H1313 PolarHBondContact OE1-ND1 2.87Å | ||
| 1314 | R | 47.1 | Very low | 46.1 | Very low | 125 Ų | 125 | 76.6 Ų | 76.6 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | trans | -81 | 128.5 | 170.3 | -69.7 | -177.2 | 175.4 | -172.8 | -2.5 | 109.9 | Y1316 | R1314-Y1316 HydrophobicContact CB-CE2 3.8Š| ||
| 1315 | W | 51.1 | Low | 44.5 | Very low | 19 Ų | 19 | 83.2 Ų | 83.2 | 7% | 0.072 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134 | 176.1 | -73.4 | 80 | 0 | 0 | 0 | 110.7 | V1230 N1284 V1286 V1308 P1341 | V1230-W1315 HydrophobicContact CB-CH2 4.48Å; V1230-W1315 HydrophobicContact CB-CZ3 4.42Å; V1230-W1315 HydrophobicContact CG2-CE3 4.17Å; V1230-W1315 HydrophobicContact CG2-CH2 3.42Å; V1230-W1315 VanDerWaalsContact CG2-CH2 3.42Å; V1230-W1315 HydrophobicContact CG2-CZ2 4.02Å; V1230-W1315 HydrophobicContact CG2-CZ3 3.53Å; N1284-W1315 HydrophobicContact CB-CD2 3.87Å; N1284-W1315 HydrophobicContact CB-CE3 3.67Å; N1284-W1315 HydrophobicContact CB-CH2 3.55Å; N1284-W1315 HydrophobicContact CB-CZ2 3.74Å; N1284-W1315 HydrophobicContact CB-CZ3 3.5Å; N1284-W1315 VanDerWaalsContact CB-CZ3 3.5Å; N1284-W1315 WeakPolarHBondContact ND2-CZ2 3.47Å; N1284-W1315 WeakPolarHBondContact O-CA 3.09Å; V1286-W1315 HydrophobicContact CG2-CE3 4.3Å; V1286-W1315 HydrophobicContact CG2-CZ3 4.5Å; V1308-W1315 HydrophobicContact CG1-CB 4.21Å; V1308-W1315 HydrophobicContact CG1-CG 4.08Å; V1308-W1315 HydrophobicContact CG2-CD2 4.2Å; V1308-W1315 HydrophobicContact CG2-CG 3.92Å; V1308-W1315 VanDerWaalsContact CG2-NE1 3.33Å; W1315-P1341 WeakPolarHBondContact O-CD 3.29Å |
| 1316 | Y | 52.7 | Low | 43.2 | Very low | 42 Ų | 42 | 86.5 Ų | 86.5 | 17% | 0.165 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.6 | -179.2 | -67.1 | -101.7 | 0 | 0 | 0 | 109.4 | H1283 N1284 V1286 R1314 T1338 | H1283-Y1316 HydrophobicContact CB-CD2 4.03Å; H1283-Y1316 HydrophobicContact CB-CE2 3.78Å; H1283-Y1316 AromaticContact CD2-CE2 3.43Å; H1283-Y1316 VanDerWaalsContact CD2-CE2 3.43Å; H1283-Y1316 WeakPolarHBondContact CD2-CE2 3.08Å; H1283-Y1316 AromaticContact CD2-CZ 3.83Å; H1283-Y1316 AromaticContact CG-CE2 3.79Å; N1284-Y1316 PolarHBondContact O-N 2.96Å; V1286-Y1316 PolarHBondContact N-O 2.92Å; R1314-Y1316 HydrophobicContact CB-CE2 3.8Å; Y1316-T1338 HydrophobicContact CD1-CG2 4.04Å |
| 1317 | L | 56 | Low | 42.2 | Very low | 16 Ų | 16 | 82.4 Ų | 82.4 | 8% | 0.084 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 112.9 | 170.5 | 178.3 | 68.6 | 0 | 0 | 0 | 107.5 | V1286 V1288 L1302 F1319 L1339 | V1286-L1317 HydrophobicContact CB-CD1 3.72Å; V1286-L1317 HydrophobicContact CG1-CD1 3.56Å; V1286-L1317 WeakPolarHBondContact O-CA 3.48Å; V1288-L1317 HydrophobicContact CG2-CD1 3.78Å; L1302-L1317 HydrophobicContact CD2-CD1 4.28Å; L1302-L1317 HydrophobicContact CD2-CD2 3.87Å; L1317-F1319 HydrophobicContact CD1-CZ 4.29Å; L1317-F1319 HydrophobicContact CD2-CE2 3.67Å; L1317-F1319 HydrophobicContact CD2-CZ 3.67Å; L1317-F1319 HydrophobicContact CG-CD2 4.47Å; L1317-F1319 HydrophobicContact CG-CE2 3.66Å; L1317-F1319 HydrophobicContact CG-CZ 3.84Å; L1317-L1339 CarbonylContact O-C 3.59Å; L1317-L1339 WeakPolarHBondContact O-CA 3.06Å; L1317-L1339 PolarHBondContact O-N 3.01Å |
| 1318 | T | 52 | Low | 41.3 | Very low | 1 Ų | 1 | 84.7 Ų | 84.7 | 1% | 0.006 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.1 | -169.7 | -58.1 | 0 | 0 | 0 | 0 | 109.8 | V1286 L1287 V1288 W1336 | V1286-T1318 PolarHBondContact O-N 2.85Å; L1287-T1318 HydrophobicContact CD1-CG2 4.05Å; V1288-T1318 PolarHBondContact N-O 3.47Å; T1318-W1336 HydrophobicContact CG2-CE3 3.59Å; T1318-W1336 HydrophobicContact CG2-CZ3 3.86Å |
| 1319 | F | 52.2 | Low | 40.4 | Very low | 22 Ų | 22 | 89.6 Ų | 89.6 | 10% | 0.096 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.1 | -178.7 | -66.3 | -82.3 | 0 | 0 | 0 | 111.1 | V1288 L1317 Q1337 L1339 F1362 | V1288-F1319 HydrophobicContact CB-CD1 3.6Å; V1288-F1319 HydrophobicContact CB-CE1 3.72Å; V1288-F1319 HydrophobicContact CG1-CD1 3.64Å; V1288-F1319 HydrophobicContact CG1-CE1 3.62Å; V1288-F1319 HydrophobicContact CG2-CD1 4.42Å; V1288-F1319 HydrophobicContact CG2-CE1 4.09Å; V1288-F1319 CarbonylContact O-C 3.4Å; V1288-F1319 VanDerWaalsContact O-CA 3.3Å; V1288-F1319 WeakPolarHBondContact O-CA 3.32Å; L1317-F1319 HydrophobicContact CD1-CZ 4.29Å; L1317-F1319 HydrophobicContact CD2-CE2 3.67Å; L1317-F1319 HydrophobicContact CD2-CZ 3.67Å; L1317-F1319 HydrophobicContact CG-CD2 4.47Å; L1317-F1319 HydrophobicContact CG-CE2 3.66Å; L1317-F1319 HydrophobicContact CG-CZ 3.84Å; F1319-Q1337 PolarHBondContact N-O 2.93Å; F1319-L1339 HydrophobicContact CD2-CB 4.13Å; F1319-L1339 HydrophobicContact CD2-CD1 3.72Å; F1319-L1339 HydrophobicContact CD2-CG 4.33Å; F1319-L1339 HydrophobicContact CE2-CB 3.92Å; F1319-L1339 HydrophobicContact CE2-CD1 3.47Å; F1319-L1339 VanDerWaalsContact CE2-CD1 3.47Å; F1319-L1339 HydrophobicContact CE2-CG 4.26Å; F1319-F1362 HydrophobicContact CB-CE2 4.29Å; F1319-F1362 HydrophobicContact CB-CZ 4.23Å; F1319-F1362 HydrophobicContact CD1-CD2 4.38Å; F1319-F1362 AromaticContact CD1-CE2 3.35Å; F1319-F1362 HydrophobicContact CD1-CE2 3.35Å; F1319-F1362 AromaticContact CD1-CZ 3.7Å; F1319-F1362 HydrophobicContact CD1-CZ 3.7Å; F1319-F1362 AromaticContact CE1-CE2 3.97Å; F1319-F1362 HydrophobicContact CE1-CE2 3.97Å; F1319-F1362 HydrophobicContact CG-CE2 4.14Å; F1319-F1362 HydrophobicContact CG-CZ 4.43Å |
| 1320 | Q | 49.8 | Very low | 39.9 | Very low | 76 Ų | 76 | 90.5 Ų | 90.5 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 117.3 | -179.3 | -172.9 | 179.4 | 9.7 | 0 | 0 | 111.6 | V1288 A1289 G1290 | V1288-Q1320 PolarHBondContact O-N 2.76Å; A1289-Q1320 VanDerWaalsContact CA-O 3.3Å; A1289-Q1320 WeakPolarHBondContact CA-O 3.41Å; A1289-Q1320 HydrophobicContact CB-CB 4.21Å; G1290-Q1320 PolarHBondContact N-O 3.36Å |
| 1321 | A | 46.9 | Very low | 39.2 | Very low | 34 Ų | 34 | 91.7 Ų | 91.7 | 28% | 0.281 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G1290 A1292 N1323 F1362 | G1290-A1321 CarbonylContact O-C 3.42Å; G1290-A1321 WeakPolarHBondContact O-CA 3.3Å; A1292-A1321 HydrophobicContact CB-CB 4.28Å; A1321-N1323 PolarHBondContact O-N 3.23Å; A1321-F1362 VanDerWaalsContact CB-OXT 3.23Å; A1321-F1362 WeakPolarHBondContact CB-OXT 3.41Å |
| 1322 | T | 43.6 | Very low | 38.7 | Very low | 75 Ų | 75 | 87.6 Ų | 87.6 | 46% | 0.46 | 51% | 0.511 | S | S | . | . | trans | -90.4 | 86.2 | 176.1 | 60 | 0 | 0 | 0 | 0 | 110.7 | A1289 G1290 | A1289-T1322 HydrophobicContact CB-CG2 4.4Å; G1290-T1322 VanDerWaalsContact C-OG1 3.24Å; G1290-T1322 PolarHBondContact O-N 2.95Å; G1290-T1322 PolarHBondContact O-OG1 3.25Å | ||
| 1323 | N | 34.7 | Very low | 38.3 | Very low | 119 Ų | 119 | 85.8 Ų | 85.8 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | trans | -92.4 | 142.5 | 168.2 | -87.6 | -30.5 | 0 | 0 | 0 | 111.6 | A1321 | A1321-N1323 PolarHBondContact O-N 3.23Š| ||
| 1324 | C | 28.1 | Very low | 37.7 | Very low | 116 Ų | 116 | 85.4 Ų | 85.4 | 78% | 0.784 | 52% | 0.521 | S | S | * | . | trans | 68.1 | 115 | 166.2 | -59.6 | 0 | 0 | 0 | 0 | 118.6 | S1326 | C1324-S1326 PolarHBondContact O-N 3.24Š| ||
| 1325 | L | 26.4 | Very low | 37.2 | Very low | 188 Ų | 188 | 85.8 Ų | 85.8 | 98% | 0.984 | 53% | 0.532 | S | S | * | . | trans | -73.7 | 91 | 161.3 | -69.7 | 155.3 | 0 | 0 | 0 | 110.4 | ||||
| 1326 | S | 26.1 | Very low | 36.6 | Very low | 95 Ų | 95 | 87.8 Ų | 87.8 | 66% | 0.664 | 54% | 0.54 | S | S | * | . | trans | -170.9 | 136.4 | 160.4 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | C1324 | C1324-S1326 PolarHBondContact O-N 3.24Š| ||
| 1327 | D | 24.6 | Very low | 36 | Very low | 150 Ų | 150 | 89.5 Ų | 89.5 | 80% | 0.802 | 55% | 0.549 | S | S | * | . | trans | 15.5 | 119.8 | 149 | -59.5 | -27.5 | 0 | 0 | 0 | 121.1 | ||||
| 1328 | S | 24.6 | Very low | 35.2 | Very low | 105 Ų | 105 | 91.6 Ų | 91.6 | 73% | 0.734 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 45.2 | 120 | 139.8 | 64.8 | 0 | 0 | 0 | 0 | 120.6 | ||
| 1329 | S | 24.8 | Very low | 34.7 | Very low | 111 Ų | 111 | 93.2 Ų | 93.2 | 78% | 0.776 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 81.9 | 143.9 | 167 | 83.9 | 0 | 0 | 0 | 0 | 117.5 | ||
| 1330 | L | 31.4 | Very low | 34.1 | Very low | 169 Ų | 169 | 94.4 Ų | 94.4 | 89% | 0.885 | 58% | 0.582 | S | S | * | * | trans | 33.7 | 97.9 | 169.6 | -75.9 | 78.7 | 0 | 0 | 0 | 118.4 | ||||
| 1331 | G | 25.5 | Very low | 33.6 | Very low | 75 Ų | 75 | 94 Ų | 94 | 77% | 0.773 | 59% | 0.586 | S | S | * | * | trans | -86.6 | 137.2 | 142.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1332 | S | 27.5 | Very low | 33.1 | Very low | 97 Ų | 97 | 97.3 Ų | 97.3 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | trans | -67.2 | 146.3 | 178.2 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | G1334 | S1332-G1334 PolarHBondContact O-N 2.87Š| ||
| 1333 | T | 33.2 | Very low | 32.6 | Very low | 99 Ų | 99 | 94.6 Ų | 94.6 | 61% | 0.607 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 17.2 | 178.1 | 55 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1334 | G | 32.4 | Very low | 32.4 | Very low | 60 Ų | 60 | 93.6 Ų | 93.6 | 62% | 0.619 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -26.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | S1332 | S1332-G1334 PolarHBondContact O-N 2.87Š|
| 1335 | D | 38 | Very low | 32.5 | Very low | 133 Ų | 133 | 92.3 Ų | 92.3 | 71% | 0.711 | 57% | 0.569 | S | S | * | * | trans | -98.2 | 14 | -164.5 | -59 | -34.9 | 0 | 0 | 0 | 114.5 | Q1337 | D1335-Q1337 PolarHBondContact O-N 2.87Š| ||
| 1336 | W | 38.5 | Very low | 32.8 | Very low | 61 Ų | 61 | 86.4 Ų | 86.4 | 23% | 0.231 | 54% | 0.541 | C | S | . | . | trans | -82.8 | 101 | -177.1 | -69.8 | 91.4 | 0 | 0 | 0 | 112.9 | I1271 A1274 L1287 T1318 T1338 | I1271-W1336 HydrophobicContact CD1-CH2 4.13Å; I1271-W1336 HydrophobicContact CD1-CZ3 3.9Å; I1271-W1336 HydrophobicContact CG1-CE3 4.35Å; I1271-W1336 HydrophobicContact CG1-CH2 3.68Å; I1271-W1336 HydrophobicContact CG1-CZ2 4.44Å; I1271-W1336 HydrophobicContact CG1-CZ3 3.63Å; A1274-W1336 HydrophobicContact CB-CG 4.3Å; L1287-W1336 HydrophobicContact CD1-CZ3 4.22Å; T1318-W1336 HydrophobicContact CG2-CE3 3.59Å; T1318-W1336 HydrophobicContact CG2-CZ3 3.86Å; W1336-T1338 PolarHBondContact O-N 2.96Å | ||
| 1337 | Q | 40.4 | Very low | 32.7 | Very low | 78 Ų | 78 | 91.1 Ų | 91.1 | 36% | 0.364 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 99.3 | 168.1 | -73.6 | -162.8 | 43 | 0 | 0 | 111.6 | F1319 D1335 N1361 | F1319-Q1337 PolarHBondContact N-O 2.93Å; D1335-Q1337 PolarHBondContact O-N 2.87Å; Q1337-N1361 PolarHBondContact NE2-O 2.97Å |
| 1338 | T | 38.5 | Very low | 32.9 | Very low | 60 Ų | 60 | 91.8 Ų | 91.8 | 37% | 0.368 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 102.8 | 172.4 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | Y1316 W1336 S1340 | Y1316-T1338 HydrophobicContact CD1-CG2 4.04Å; W1336-T1338 PolarHBondContact O-N 2.96Å; T1338-S1340 PolarHBondContact O-N 3.4Å |
| 1339 | L | 42.5 | Very low | 33 | Very low | 34 Ų | 34 | 95.8 Ų | 95.8 | 18% | 0.178 | 55% | 0.552 | C | S | . | * | trans | -94 | 83.6 | 179.7 | -91.6 | 170.2 | 0 | 0 | 0 | 110.9 | L1317 F1319 S1345 V1359 | L1317-L1339 CarbonylContact O-C 3.59Å; L1317-L1339 WeakPolarHBondContact O-CA 3.06Å; L1317-L1339 PolarHBondContact O-N 3.01Å; F1319-L1339 HydrophobicContact CD2-CB 4.13Å; F1319-L1339 HydrophobicContact CD2-CD1 3.72Å; F1319-L1339 HydrophobicContact CD2-CG 4.33Å; F1319-L1339 HydrophobicContact CE2-CB 3.92Å; F1319-L1339 HydrophobicContact CE2-CD1 3.47Å; F1319-L1339 VanDerWaalsContact CE2-CD1 3.47Å; F1319-L1339 HydrophobicContact CE2-CG 4.26Å; L1339-S1345 VanDerWaalsContact CD2-OG 3.26Å; L1339-S1345 WeakPolarHBondContact CD2-OG 3.47Å; L1339-V1359 HydrophobicContact CD1-CG2 3.94Å | ||
| 1340 | S | 39.2 | Very low | 33.3 | Very low | 47 Ų | 47 | 94.5 Ų | 94.5 | 33% | 0.329 | 55% | 0.549 | S | S | . | . | trans | -63.1 | 136.9 | 170.2 | 71.1 | 0 | 0 | 0 | 0 | 110.9 | T1338 N1342 G1343 | T1338-S1340 PolarHBondContact O-N 3.4Å; S1340-N1342 PolarHBondContact O-N 3.24Å; S1340-G1343 PolarHBondContact O-N 3.4Å; S1340-G1343 VanDerWaalsContact OG-CA 3.3Å; S1340-G1343 WeakPolarHBondContact OG-CA 3.38Å; S1340-G1343 PolarHBondContact OG-N 3.17Å | ||
| 1341 | P | 38.7 | Very low | 33.2 | Very low | 67 Ų | 67 | 90.6 Ų | 90.6 | 44% | 0.435 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -17.8 | 179 | -27.8 | 35.3 | 0 | 0 | 0 | 115.1 | W1315 | W1315-P1341 WeakPolarHBondContact O-CD 3.29Š|
| 1342 | N | 37.5 | Very low | 33.5 | Very low | 105 Ų | 105 | 95.3 Ų | 95.3 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | 12.5 | -168.4 | -62.3 | -39 | 0 | 0 | 0 | 113.9 | S1340 | S1340-N1342 PolarHBondContact O-N 3.24Š|
| 1343 | G | 31.7 | Very low | 33.7 | Very low | 17 Ų | 17 | 97 Ų | 97 | 18% | 0.175 | 54% | 0.537 | C | S | . | . | S | Bend | trans | -141.7 | 46.8 | -155.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | K160 S1340 | K160-G1343 PolarHBondContact NZ-O 2.85Å; S1340-G1343 PolarHBondContact O-N 3.4Å; S1340-G1343 VanDerWaalsContact OG-CA 3.3Å; S1340-G1343 WeakPolarHBondContact OG-CA 3.38Å; S1340-G1343 PolarHBondContact OG-N 3.17Å |
| 1344 | E | 30 | Very low | 33.5 | Very low | 98 Ų | 98 | 97 Ų | 97 | 46% | 0.458 | 53% | 0.533 | S | S | . | . | S | Bend | trans | 59.1 | 91.4 | 158.7 | -56.8 | 169.5 | 123.5 | 0 | 0 | 118.4 | K160 R197 | K160-E1344 IonicContact NZ-OE2 2.73Å; K160-E1344 PolarHBondContact NZ-OE2 3.1Å; R197-E1344 IonicContact CZ-OE1 3.66Å; R197-E1344 IonicContact NE-OE1 3.52Å; R197-E1344 VanDerWaalsContact NH2-CD 3.27Å; R197-E1344 IonicContact NH2-OE1 3.95Å; R197-E1344 PolarHBondContact NH2-OE1 2.89Å; R197-E1344 IonicContact NH2-OE2 2.74Å; R197-E1344 PolarHBondContact NH2-OE2 2.67Å |
| 1345 | S | 30.3 | Very low | 33.6 | Very low | 89 Ų | 89 | 97.7 Ų | 97.7 | 62% | 0.622 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -152.2 | -21.7 | 146.1 | 69.7 | 0 | 0 | 0 | 0 | 115.1 | L1339 | L1339-S1345 VanDerWaalsContact CD2-OG 3.26Å; L1339-S1345 WeakPolarHBondContact CD2-OG 3.47Å |
| 1346 | V | 32.6 | Very low | 33.2 | Very low | 65 Ų | 65 | 94 Ų | 94 | 39% | 0.394 | 51% | 0.507 | S | S | . | . | trans | -108.6 | 132.4 | 174.6 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | F1358 | V1346-F1358 HydrophobicContact CG1-CB 4.33Å; V1346-F1358 VanDerWaalsContact CG2-O 3.27Å; V1346-F1358 WeakPolarHBondContact CG2-O 3.33Å | ||
| 1347 | K | 25.9 | Very low | 33.2 | Very low | 194 Ų | 194 | 96 Ų | 96 | 84% | 0.843 | 52% | 0.518 | S | S | * | . | trans | -89.2 | 116.2 | 170.6 | -65.7 | 174.4 | -178 | 172 | 0 | 110.6 | ||||
| 1348 | K | 28.3 | Very low | 32.8 | Very low | 164 Ų | 164 | 97.8 Ų | 97.8 | 71% | 0.713 | 53% | 0.525 | S | S | * | . | trans | -174.9 | 155.9 | 143.9 | -101.9 | 151.6 | -173.9 | -179.6 | 0 | 109.9 | ||||
| 1349 | E | 26 | Very low | 32.7 | Very low | 188 Ų | 188 | 96.9 Ų | 96.9 | 88% | 0.879 | 52% | 0.519 | S | S | * | . | trans | -69.6 | 131.8 | 171.8 | -67.6 | 156.7 | 121.1 | 0 | 0 | 109.1 | N1351 | E1349-N1351 PolarHBondContact O-N 2.9Š| ||
| 1350 | A | 31.4 | Very low | 32.1 | Very low | 85 Ų | 85 | 101.9 Ų | 101.9 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | trans | -74.4 | 94.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109 | L1352 | A1350-L1352 PolarHBondContact O-N 2.62Š| ||
| 1351 | N | 30.2 | Very low | 31.8 | Very low | 87 Ų | 87 | 106.1 Ų | 106.1 | 47% | 0.465 | 57% | 0.565 | S | S | . | * | B | Isolated β-bridge | trans | -64.5 | 131.4 | 162.1 | -175.3 | 7.6 | 0 | 0 | 0 | 108 | E1349 D1353 N1354 | E1349-N1351 PolarHBondContact O-N 2.9Å; N1351-D1353 PolarHBondContact O-N 3.47Å; N1351-D1353 VanDerWaalsContact O-N 3.14Å; N1351-D1353 PolarHBondContact OD1-N 2.8Å; N1351-N1354 HydrophobicContact CB-CB 4.46Å; N1351-N1354 CarbonylContact O-C 3.56Å; N1351-N1354 PolarHBondContact O-N 2.99Å |
| 1352 | L | 31.9 | Very low | 31.4 | Very low | 173 Ų | 173 | 104.5 Ų | 104.5 | 91% | 0.906 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -24.9 | 178.6 | -76.5 | 157.7 | 0 | 0 | 0 | 112.3 | A1350 | A1350-L1352 PolarHBondContact O-N 2.62Š|
| 1353 | D | 31 | Very low | 31.1 | Very low | 134 Ų | 134 | 104.5 Ų | 104.5 | 72% | 0.717 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -5 | 177 | -51.6 | -42 | 0 | 0 | 0 | 114 | N1351 | N1351-D1353 PolarHBondContact O-N 3.47Å; N1351-D1353 VanDerWaalsContact O-N 3.14Å; N1351-D1353 PolarHBondContact OD1-N 2.8Å |
| 1354 | N | 28.2 | Very low | 31.1 | Very low | 97 Ų | 97 | 109.1 Ų | 109.1 | 52% | 0.519 | 57% | 0.57 | S | S | . | * | B | Isolated β-bridge | trans | -159.1 | 97.7 | -174.2 | -103.5 | -84.4 | 0 | 0 | 0 | 112.9 | N1351 | N1351-N1354 HydrophobicContact CB-CB 4.46Å; N1351-N1354 CarbonylContact O-C 3.56Å; N1351-N1354 PolarHBondContact O-N 2.99Å |
| 1355 | V | 34.6 | Very low | 31.2 | Very low | 75 Ų | 75 | 109.7 Ų | 109.7 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | trans | -98.1 | 117 | 170.3 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | F1357 | V1355-F1357 HydrophobicContact CG1-CD1 4.44Å; V1355-F1357 HydrophobicContact CG1-CE1 3.72Å; V1355-F1357 HydrophobicContact CG1-CE2 3.86Å; V1355-F1357 HydrophobicContact CG1-CZ 3.4Å | ||
| 1356 | T | 31 | Very low | 31.2 | Very low | 55 Ų | 55 | 110.9 Ų | 110.9 | 34% | 0.337 | 57% | 0.574 | S | S | . | * | trans | -127.8 | 112.4 | 176.9 | 28.7 | 0 | 0 | 0 | 0 | 111.7 | P1299 | P1299-T1356 HydrophobicContact CB-CG2 3.77Å; P1299-T1356 HydrophobicContact CG-CG2 3.61Å | ||
| 1357 | F | 37.9 | Very low | 31.1 | Very low | 103 Ų | 103 | 113.8 Ų | 113.8 | 45% | 0.452 | 59% | 0.585 | S | S | . | * | trans | -87.9 | 120.4 | 173.4 | -43.8 | -78.4 | 0 | 0 | 0 | 109.7 | V1355 | V1355-F1357 HydrophobicContact CG1-CD1 4.44Å; V1355-F1357 HydrophobicContact CG1-CE1 3.72Å; V1355-F1357 HydrophobicContact CG1-CE2 3.86Å; V1355-F1357 HydrophobicContact CG1-CZ 3.4Å | ||
| 1358 | F | 31.2 | Very low | 31.5 | Very low | 117 Ų | 117 | 108.5 Ų | 108.5 | 51% | 0.513 | 57% | 0.568 | S | S | . | * | trans | -104 | 89.6 | 174 | -81.2 | -91.8 | 0 | 0 | 0 | 109.7 | V1346 N1360 | V1346-F1358 HydrophobicContact CG1-CB 4.33Å; V1346-F1358 VanDerWaalsContact CG2-O 3.27Å; V1346-F1358 WeakPolarHBondContact CG2-O 3.33Å; F1358-N1360 PolarHBondContact O-N 3.21Å | ||
| 1359 | V | 37.1 | Very low | 31.7 | Very low | 40 Ų | 40 | 104.5 Ų | 104.5 | 24% | 0.242 | 56% | 0.558 | C | S | . | * | trans | -76.2 | 107.8 | 171.5 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | L1339 N1361 | L1339-V1359 HydrophobicContact CD1-CG2 3.94Å; V1359-N1361 PolarHBondContact O-N 2.82Å | ||
| 1360 | N | 30.1 | Very low | 32.1 | Very low | 139 Ų | 139 | 98.1 Ų | 98.1 | 74% | 0.743 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -78.1 | 114.5 | 169.2 | -80 | -9.3 | 0 | 0 | 0 | 108.1 | F1358 | F1358-N1360 PolarHBondContact O-N 3.21Š|
| 1361 | N | 31.5 | Very low | 32.2 | Very low | 136 Ų | 136 | 99.2 Ų | 99.2 | 73% | 0.727 | 52% | 0.519 | S | S | * | . | trans | 61.5 | 93.8 | -168.7 | -54.6 | -6.3 | 0 | 0 | 0 | 112.3 | Q1337 V1359 | Q1337-N1361 PolarHBondContact NE2-O 2.97Å; V1359-N1361 PolarHBondContact O-N 2.82Å | ||
| 1362 | F | 31.7 | Very low | 32.4 | Very low | 34 Ų | 34 | 100.3 Ų | 100.3 | 15% | 0.149 | 52% | 0.524 | C | S | . | . | trans | -71.5 | 0 | 144.2 | -144.2 | -73.1 | 0 | 0 | 0 | 108.9 | M1245 V1288 A1292 G1293 F1319 A1321 | M1245-F1362 HydrophobicContact CE-CE2 4.34Å; M1245-F1362 HydrophobicContact CE-CZ 4.29Å; V1288-F1362 HydrophobicContact CG1-CZ 4.28Å; A1292-F1362 WeakPolarHBondContact CA-OXT 3.05Å; G1293-F1362 PolarHBondContact N-O 3.06Å; F1319-F1362 HydrophobicContact CB-CE2 4.29Å; F1319-F1362 HydrophobicContact CB-CZ 4.23Å; F1319-F1362 HydrophobicContact CD1-CD2 4.38Å; F1319-F1362 AromaticContact CD1-CE2 3.35Å; F1319-F1362 HydrophobicContact CD1-CE2 3.35Å; F1319-F1362 AromaticContact CD1-CZ 3.7Å; F1319-F1362 HydrophobicContact CD1-CZ 3.7Å; F1319-F1362 AromaticContact CE1-CE2 3.97Å; F1319-F1362 HydrophobicContact CE1-CE2 3.97Å; F1319-F1362 HydrophobicContact CG-CE2 4.14Å; F1319-F1362 HydrophobicContact CG-CZ 4.43Å; A1321-F1362 VanDerWaalsContact CB-OXT 3.23Å; A1321-F1362 WeakPolarHBondContact CB-OXT 3.41Å |
Retrieved 1,362 of 1,362 residues in 2510.2 ms
(Link to these results)