| 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 | 50.8 | Low | 49.2 | Very low | 201 Ų | 201 | 119.9 Ų | 119.9 | 99% | 0.99 | 61% | 0.609 | S | S | * | * | 0 | -48.9 | 0 | -84.2 | -171.1 | 76.7 | 0 | 0 | 113.1 | Y3 F4 T5 | M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.43Å; M1-F4 PolarHBondContact O-N 2.92Å; M1-F4 VanDerWaalsContact O-N 3.16Å; M1-T5 PolarHBondContact O-N 3.34Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 2.82Å | |||
| 2 | V | 47.3 | Very low | 49.2 | Very low | 108 Ų | 108 | 119.2 Ų | 119.2 | 66% | 0.655 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.9 | -36.2 | -177.6 | -175.8 | 0 | 0 | 0 | 0 | 114 | T5 L6 | V2-T5 VanDerWaalsContact C-OG1 3.32Å; V2-T5 WeakPolarHBondContact CA-OG1 3.28Å; V2-T5 PolarHBondContact O-OG1 2.83Å; V2-L6 HydrophobicContact CG1-CD1 4.13Å; V2-L6 PolarHBondContact O-N 2.82Å |
| 3 | Y | 43 | Very low | 48.8 | Very low | 188 Ų | 188 | 112.8 Ų | 112.8 | 74% | 0.737 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71.3 | -32.2 | 178.8 | -137 | -92.9 | 0 | 0 | 0 | 112.9 | M1 M7 | M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.43Å; Y3-M7 HydrophobicContact CD1-CG 4.41Å; Y3-M7 HydrophobicContact CE1-CE 4.22Å; Y3-M7 WeakPolarHBondContact O-CB 3.38Å; Y3-M7 VanDerWaalsContact O-CG 3.26Å; Y3-M7 WeakPolarHBondContact O-CG 3.42Å; Y3-M7 PolarHBondContact O-N 3.3Å |
| 4 | F | 47.9 | Very low | 48.5 | Very low | 159 Ų | 159 | 112 Ų | 112 | 70% | 0.697 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -75.3 | -38.2 | 178.4 | -160.2 | -94.1 | 0 | 0 | 0 | 110.8 | M1 M7 C8 | M1-F4 PolarHBondContact O-N 2.92Å; M1-F4 VanDerWaalsContact O-N 3.16Å; F4-M7 PolarHBondContact O-N 3.08Å; F4-C8 WeakPolarHBondContact O-CB 3.44Å; F4-C8 PolarHBondContact O-N 3.36Å; F4-C8 PolarHBondContact O-SG 2.93Å |
| 5 | T | 51.1 | Low | 48.2 | Very low | 75 Ų | 75 | 108.6 Ų | 108.6 | 46% | 0.46 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.3 | -39.2 | 172.8 | 49.7 | 0 | 0 | 0 | 0 | 112 | M1 V2 C8 V9 | M1-T5 PolarHBondContact O-N 3.34Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 2.82Å; V2-T5 VanDerWaalsContact C-OG1 3.32Å; V2-T5 WeakPolarHBondContact CA-OG1 3.28Å; V2-T5 PolarHBondContact O-OG1 2.83Å; T5-C8 PolarHBondContact O-N 3.05Å; T5-V9 WeakPolarHBondContact O-CB 3.13Å; T5-V9 VanDerWaalsContact O-CG2 3.22Å; T5-V9 WeakPolarHBondContact O-CG2 3.03Å; T5-V9 PolarHBondContact O-N 3.11Å |
| 6 | L | 49.3 | Very low | 48 | Very low | 107 Ų | 107 | 107.6 Ų | 107.6 | 56% | 0.56 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.3 | -41.1 | 174.7 | -112.3 | 111.1 | 0 | 0 | 0 | 112.3 | V2 V9 M10 | V2-L6 HydrophobicContact CG1-CD1 4.13Å; V2-L6 PolarHBondContact O-N 2.82Å; L6-V9 PolarHBondContact O-N 3.36Å; L6-M10 WeakPolarHBondContact O-CB 3.49Å; L6-M10 VanDerWaalsContact O-CG 3.29Å; L6-M10 WeakPolarHBondContact O-CG 3.22Å; L6-M10 PolarHBondContact O-N 2.94Å |
| 7 | M | 49.5 | Very low | 47.7 | Very low | 104 Ų | 104 | 111.3 Ų | 111.3 | 51% | 0.512 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.2 | -41.5 | 175.8 | -75.8 | -67.2 | -152.2 | 0 | 0 | 112 | Y3 F4 M10 I11 | Y3-M7 HydrophobicContact CD1-CG 4.41Å; Y3-M7 HydrophobicContact CE1-CE 4.22Å; Y3-M7 WeakPolarHBondContact O-CB 3.38Å; Y3-M7 VanDerWaalsContact O-CG 3.26Å; Y3-M7 WeakPolarHBondContact O-CG 3.42Å; Y3-M7 PolarHBondContact O-N 3.3Å; F4-M7 PolarHBondContact O-N 3.08Å; M7-M10 PolarHBondContact O-N 3.32Å; M7-I11 WeakPolarHBondContact O-CB 3.43Å; M7-I11 WeakPolarHBondContact O-CD1 3.46Å; M7-I11 WeakPolarHBondContact O-CG1 3.45Å; M7-I11 PolarHBondContact O-N 3.25Å |
| 8 | C | 51.5 | Low | 47.6 | Very low | 54 Ų | 54 | 108.6 Ų | 108.6 | 37% | 0.365 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.3 | -41.6 | 173.4 | -75 | 0 | 0 | 0 | 0 | 112.2 | F4 T5 I11 I12 | F4-C8 WeakPolarHBondContact O-CB 3.44Å; F4-C8 PolarHBondContact O-N 3.36Å; F4-C8 PolarHBondContact O-SG 2.93Å; T5-C8 PolarHBondContact O-N 3.05Å; C8-I11 PolarHBondContact O-N 3.49Å; C8-I12 WeakPolarHBondContact O-CB 3.43Å; C8-I12 WeakPolarHBondContact O-CD1 3.49Å; C8-I12 WeakPolarHBondContact O-CG1 3.43Å; C8-I12 PolarHBondContact O-N 2.84Å |
| 9 | V | 52.8 | Low | 47.5 | Very low | 97 Ų | 97 | 110.8 Ų | 110.8 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.1 | -38.9 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | T5 L6 I12 A13 | T5-V9 WeakPolarHBondContact O-CB 3.13Å; T5-V9 VanDerWaalsContact O-CG2 3.22Å; T5-V9 WeakPolarHBondContact O-CG2 3.03Å; T5-V9 PolarHBondContact O-N 3.11Å; L6-V9 PolarHBondContact O-N 3.36Å; V9-I12 PolarHBondContact O-N 2.87Å; V9-A13 WeakPolarHBondContact O-CB 3.33Å; V9-A13 PolarHBondContact O-N 2.94Å |
| 10 | M | 46.2 | Very low | 47.4 | Very low | 111 Ų | 111 | 111.1 Ų | 111.1 | 55% | 0.547 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.9 | -36.8 | 176.1 | -73.2 | -66.2 | -69.5 | 0 | 0 | 112.7 | L6 M7 A13 T14 | L6-M10 WeakPolarHBondContact O-CB 3.49Å; L6-M10 VanDerWaalsContact O-CG 3.29Å; L6-M10 WeakPolarHBondContact O-CG 3.22Å; L6-M10 PolarHBondContact O-N 2.94Å; M7-M10 PolarHBondContact O-N 3.32Å; M10-A13 PolarHBondContact O-N 3.04Å; M10-T14 WeakPolarHBondContact O-CB 3.14Å; M10-T14 WeakPolarHBondContact O-CG2 3.32Å; M10-T14 PolarHBondContact O-N 3.34Å; M10-T14 PolarHBondContact O-OG1 2.71Å |
| 11 | I | 51.7 | Low | 47.5 | Very low | 115 Ų | 115 | 114.6 Ų | 114.6 | 59% | 0.59 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.6 | -37.3 | 175.1 | -68.3 | 164.6 | 0 | 0 | 0 | 111.1 | M7 C8 T14 G15 | M7-I11 WeakPolarHBondContact O-CB 3.43Å; M7-I11 WeakPolarHBondContact O-CD1 3.46Å; M7-I11 WeakPolarHBondContact O-CG1 3.45Å; M7-I11 PolarHBondContact O-N 3.25Å; C8-I11 PolarHBondContact O-N 3.49Å; I11-T14 PolarHBondContact O-OG1 3.45Å; I11-G15 PolarHBondContact O-N 3.26Å |
| 12 | I | 49.8 | Very low | 47.8 | Very low | 111 Ų | 111 | 106.8 Ų | 106.8 | 57% | 0.569 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.7 | -43.5 | 172.3 | -65.6 | 164.1 | 0 | 0 | 0 | 109.7 | C8 V9 G15 V16 | C8-I12 WeakPolarHBondContact O-CB 3.43Å; C8-I12 WeakPolarHBondContact O-CD1 3.49Å; C8-I12 WeakPolarHBondContact O-CG1 3.43Å; C8-I12 PolarHBondContact O-N 2.84Å; V9-I12 PolarHBondContact O-N 2.87Å; I12-G15 PolarHBondContact O-N 3.45Å; I12-V16 HydrophobicContact CG2-CG2 4.13Å; I12-V16 VanDerWaalsContact O-CB 3.29Å; I12-V16 WeakPolarHBondContact O-CB 3.49Å; I12-V16 WeakPolarHBondContact O-CG2 3.35Å; I12-V16 PolarHBondContact O-N 3.3Å |
| 13 | A | 43 | Very low | 48.5 | Very low | 36 Ų | 36 | 103.8 Ų | 103.8 | 30% | 0.298 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | V9 M10 V16 H17 | V9-A13 WeakPolarHBondContact O-CB 3.33Å; V9-A13 PolarHBondContact O-N 2.94Å; M10-A13 PolarHBondContact O-N 3.04Å; A13-V16 PolarHBondContact O-N 3.42Å; A13-H17 PolarHBondContact O-N 3.12Å; A13-H17 PolarHBondContact O-ND1 3.38Å |
| 14 | T | 44.5 | Very low | 49.6 | Very low | 102 Ų | 102 | 100.2 Ų | 100.2 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -74.3 | -26.3 | 178.2 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | M10 I11 | M10-T14 WeakPolarHBondContact O-CB 3.14Å; M10-T14 WeakPolarHBondContact O-CG2 3.32Å; M10-T14 PolarHBondContact O-N 3.34Å; M10-T14 PolarHBondContact O-OG1 2.71Å; I11-T14 PolarHBondContact O-OG1 3.45Å |
| 15 | G | 44.5 | Very low | 51 | Low | 61 Ų | 61 | 93.7 Ų | 93.7 | 63% | 0.629 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -75.3 | -25.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | I11 I12 | I11-G15 PolarHBondContact O-N 3.26Å; I12-G15 PolarHBondContact O-N 3.45Å |
| 16 | V | 44.9 | Very low | 52.6 | Low | 93 Ų | 93 | 93.9 Ų | 93.9 | 56% | 0.564 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -88.1 | -17.7 | -176.5 | 171.3 | 0 | 0 | 0 | 0 | 113.1 | I12 A13 G18 | I12-V16 HydrophobicContact CG2-CG2 4.13Å; I12-V16 VanDerWaalsContact O-CB 3.29Å; I12-V16 WeakPolarHBondContact O-CB 3.49Å; I12-V16 WeakPolarHBondContact O-CG2 3.35Å; I12-V16 PolarHBondContact O-N 3.3Å; A13-V16 PolarHBondContact O-N 3.42Å; V16-G18 VanDerWaalsContact C-N 3.31Å; V16-G18 PolarHBondContact O-N 3.32Å |
| 17 | H | 43.7 | Very low | 54.2 | Low | 170 Ų | 170 | 93 Ų | 93 | 79% | 0.787 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 13.3 | -178.1 | -76.3 | 72.7 | 0 | 0 | 0 | 115 | A13 | A13-H17 PolarHBondContact O-N 3.12Å; A13-H17 PolarHBondContact O-ND1 3.38Å |
| 18 | G | 44.8 | Very low | 55.7 | Low | 63 Ų | 63 | 92.6 Ų | 92.6 | 65% | 0.649 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -111.5 | -29.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | V16 | V16-G18 VanDerWaalsContact C-N 3.31Å; V16-G18 PolarHBondContact O-N 3.32Å |
| 19 | K | 46.9 | Very low | 57 | Low | 151 Ų | 151 | 97.5 Ų | 97.5 | 66% | 0.657 | 54% | 0.541 | S | S | * | . | trans | -147.4 | 106.7 | -179.9 | -80.8 | -176.5 | 175.1 | -177.2 | 0 | 109.1 | W21 D63 | K19-W21 PolarHBondContact O-N 3.34Å; K19-D63 IonicContact NZ-OD2 2.98Å; K19-D63 PolarHBondContact NZ-OD2 2.84Å | ||
| 20 | R | 44.5 | Very low | 58.3 | Low | 116 Ų | 116 | 96 Ų | 96 | 44% | 0.438 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 127.6 | 168.2 | -85.4 | -176.1 | -176.7 | -168.7 | 7.6 | 108.7 | L22 H275 E342 | R20-L22 PolarHBondContact O-N 3.39Å; R20-H275 HydrophobicContact CB-CB 4.09Å; R20-H275 VanDerWaalsContact CD-CG 3.46Å; R20-H275 HydrophobicContact CG-CB 4.42Å; R20-E342 IonicContact CZ-OE1 3.97Å; R20-E342 IonicContact NE-OE1 2.87Å; R20-E342 PolarHBondContact NE-OE1 2.67Å; R20-E342 IonicContact NH1-OE1 2.65Å; R20-E342 PolarHBondContact NH1-OE1 2.05Å; R20-E342 IonicContact NH2-OE1 3.99Å; R20-E342 PolarHBondContact NH2-OE1 2.86Å; R20-E342 IonicContact NH2-OE2 3.09Å; R20-E342 PolarHBondContact NH2-OE2 3.35Å |
| 21 | W | 49.5 | Very low | 60.2 | Low | 184 Ų | 184 | 91.8 Ų | 91.8 | 70% | 0.697 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 122 | -177.5 | -104.2 | 46.1 | 0 | 0 | 0 | 110.8 | K19 W375 | K19-W21 PolarHBondContact O-N 3.34Å; W21-W375 HydrophobicContact CE3-CZ2 4.2Å; W21-W375 HydrophobicContact CH2-CH2 4.43Å; W21-W375 HydrophobicContact CH2-CZ2 4.1Å; W21-W375 AromaticContact CZ3-CZ2 3.83Å; W21-W375 HydrophobicContact CZ3-CZ2 3.83Å |
| 22 | L | 57 | Low | 61.8 | Low | 37 Ų | 37 | 91.4 Ų | 91.4 | 19% | 0.194 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 134.7 | 173 | -71.6 | 154.4 | 0 | 0 | 0 | 109.3 | R20 L61 R62 G276 | R20-L22 PolarHBondContact O-N 3.39Å; L22-L61 HydrophobicContact CD1-CB 4.14Å; L22-L61 VanDerWaalsContact CD1-O 3.29Å; L22-L61 WeakPolarHBondContact CD1-O 3.39Å; L22-R62 HydrophobicContact CD1-CB 4.39Å; L22-R62 HydrophobicContact CD1-CG 3.56Å; L22-G276 WeakPolarHBondContact CD2-O 3.19Å |
| 23 | P | 61.8 | Low | 63.7 | Low | 46 Ų | 46 | 88.6 Ų | 88.6 | 30% | 0.299 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 152.9 | 178.3 | 17.9 | -25.6 | 0 | 0 | 0 | 111.5 | L25 R62 | P23-L25 PolarHBondContact O-N 3.01Å; P23-R62 PolarHBondContact O-NH1 2.91Å; P23-R62 PolarHBondContact O-NH2 2.8Å |
| 24 | S | 66.1 | Low | 65.8 | Low | 112 Ų | 112 | 87 Ų | 87 | 78% | 0.783 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 135.7 | -178.6 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 25 | L | 78.9 | Confident | 67.8 | Low | 22 Ų | 22 | 85 Ų | 85 | 12% | 0.115 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 143.4 | 172 | -68 | 173.4 | 0 | 0 | 0 | 110.1 | P23 Y32 T58 V121 | P23-L25 PolarHBondContact O-N 3.01Å; L25-Y32 HydrophobicContact CB-CD1 3.85Å; L25-Y32 HydrophobicContact CB-CG 4.23Å; L25-T58 HydrophobicContact CD1-CG2 3.76Å; L25-T58 HydrophobicContact CD2-CG2 4.01Å; L25-T58 HydrophobicContact CG-CG2 4.46Å; L25-V121 HydrophobicContact CD1-CG1 4.11Å |
| 26 | P | 83.4 | Confident | 69.9 | Low | 80 Ų | 80 | 85.3 Ų | 85.3 | 52% | 0.519 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 145.7 | 170.5 | 24.3 | -31 | 0 | 0 | 0 | 110 | Y32 Q33 | P26-Y32 CarbonylContact O-C 3.57Å; P26-Y32 WeakPolarHBondContact O-CA 3.32Å; P26-Q33 WeakPolarHBondContact CD-O 3.4Å; P26-Q33 HydrophobicContact CG-CB 4.27Å; P26-Q33 PolarHBondContact O-N 2.85Å |
| 27 | V | 84.1 | Confident | 72 | Confident | 89 Ų | 89 | 81.2 Ų | 81.2 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.4 | -179.7 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | C31 Y32 | V27-C31 WeakPolarHBondContact CA-O 3.32Å; V27-Y32 HydrophobicContact CG2-CD1 3.51Å; V27-Y32 HydrophobicContact CG2-CE1 3.52Å; V27-Y32 HydrophobicContact CG2-CG 4.42Å |
| 28 | E | 80.9 | Confident | 74 | Confident | 94 Ų | 94 | 75.4 Ų | 75.4 | 44% | 0.439 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.1 | 176 | -167.6 | -179.2 | -174.9 | 0 | 0 | 108.5 | G30 C31 Q33 | E28-G30 PolarHBondContact O-N 2.74Å; E28-G30 VanDerWaalsContact O-N 3.09Å; E28-C31 PolarHBondContact N-O 2.87Å; E28-C31 PolarHBondContact O-N 3.1Å; E28-C31 VanDerWaalsContact O-O 3.12Å; E28-Q33 PolarHBondContact OE2-NE2 3.1Å; E28-Q33 PolarHBondContact OE2-OE1 3.37Å |
| 29 | N | 78.5 | Confident | 76.2 | Confident | 157 Ų | 157 | 75.5 Ų | 75.5 | 84% | 0.84 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 32.9 | -178.1 | -58.9 | -43.7 | 0 | 0 | 0 | 114.6 | C31 | N29-C31 VanDerWaalsContact C-N 3.29Å; N29-C31 PolarHBondContact O-N 3.18Å |
| 30 | G | 79.3 | Confident | 78.3 | Confident | 65 Ų | 65 | 69.7 Ų | 69.7 | 67% | 0.67 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 6.6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | E28 | E28-G30 PolarHBondContact O-N 2.74Å; E28-G30 VanDerWaalsContact O-N 3.09Å |
| 31 | C | 85.3 | Confident | 80.6 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 141.5 | 173.3 | -65.8 | 0 | 0 | 0 | 0 | 110.6 | V27 E28 N29 C120 T122 | V27-C31 WeakPolarHBondContact CA-O 3.32Å; E28-C31 PolarHBondContact N-O 2.87Å; E28-C31 PolarHBondContact O-N 3.1Å; E28-C31 VanDerWaalsContact O-O 3.12Å; N29-C31 VanDerWaalsContact C-N 3.29Å; N29-C31 PolarHBondContact O-N 3.18Å; C31-C120 HydrophobicContact CB-CB 3.74Å; C31-C120 WeakPolarHBondContact CB-SG 3.29Å; C31-C120 WeakPolarHBondContact SG-CB 3.17Å; C31-C120 CovalentContact SG-SG 2.03Å; C31-C120 PolarHBondContact SG-SG 2.89Å; C31-T122 HydrophobicContact CB-CG2 3.96Å |
| 32 | Y | 87.3 | Confident | 82.7 | Confident | 108 Ų | 108 | 59.3 Ų | 59.3 | 42% | 0.424 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 137.7 | 171.6 | -66.6 | -72.9 | 0 | 0 | 0 | 110.1 | L25 P26 V27 C120 V121 T122 | L25-Y32 HydrophobicContact CB-CD1 3.85Å; L25-Y32 HydrophobicContact CB-CG 4.23Å; P26-Y32 CarbonylContact O-C 3.57Å; P26-Y32 WeakPolarHBondContact O-CA 3.32Å; V27-Y32 HydrophobicContact CG2-CD1 3.51Å; V27-Y32 HydrophobicContact CG2-CE1 3.52Å; V27-Y32 HydrophobicContact CG2-CG 4.42Å; Y32-C120 WeakPolarHBondContact CD2-O 3.49Å; Y32-C120 PolarHBondContact N-O 3.1Å; Y32-V121 CarbonylContact O-C 3.47Å; Y32-V121 WeakPolarHBondContact O-CA 2.95Å; Y32-T122 PolarHBondContact O-N 2.94Å; Y32-T122 PolarHBondContact O-OG1 3.01Å |
| 33 | Q | 89.3 | Confident | 84.5 | Confident | 51 Ų | 51 | 58.5 Ų | 58.5 | 24% | 0.238 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 118.9 | -177.1 | -171.1 | 173.4 | 42.6 | 0 | 0 | 110.1 | P26 E28 T122 | P26-Q33 WeakPolarHBondContact CD-O 3.4Å; P26-Q33 HydrophobicContact CG-CB 4.27Å; P26-Q33 PolarHBondContact O-N 2.85Å; E28-Q33 PolarHBondContact OE2-NE2 3.1Å; E28-Q33 PolarHBondContact OE2-OE1 3.37Å; Q33-T122 WeakPolarHBondContact CA-O 3.3Å |
| 34 | A | 87.5 | Confident | 86.2 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 2% | 0.017 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 155.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | F55 T58 T122 | A34-F55 HydrophobicContact CB-CB 4.45Å; A34-F55 HydrophobicContact CB-CD2 3.97Å; A34-T58 HydrophobicContact CB-CG2 4.19Å; A34-T122 PolarHBondContact N-O 3.36Å |
| 35 | S | 85.4 | Confident | 87.5 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 42% | 0.42 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 141.3 | 173.2 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 36 | P | 88.5 | Confident | 88.3 | Confident | 68 Ų | 68 | 56.1 Ų | 56.1 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 146.3 | 180 | 27.1 | -34.2 | 0 | 0 | 0 | 111.1 | S124 | P36-S124 WeakPolarHBondContact CA-O 3.25Š|
| 37 | E | 89.9 | Confident | 88.8 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 159.1 | 171 | -55.9 | -62.8 | 168 | 0 | 0 | 110.6 | F52 P53 I54 F55 S124 I125 | E37-F52 HydrophobicContact CG-CB 4.15Å; E37-F52 HydrophobicContact CG-CD1 3.88Å; E37-F52 HydrophobicContact CG-CG 4.34Å; E37-F52 WeakPolarHBondContact OE1-CA 3.39Å; E37-F52 WeakPolarHBondContact OE1-CB 3.39Å; E37-P53 WeakPolarHBondContact OE2-CD 3.38Å; E37-P53 WeakPolarHBondContact OE2-CG 3.49Å; E37-I54 WeakPolarHBondContact OE1-CA 3.32Å; E37-I54 WeakPolarHBondContact OE1-CB 3.31Å; E37-I54 PolarHBondContact OE1-N 2.91Å; E37-I54 WeakPolarHBondContact OE2-CB 3.42Å; E37-I54 VanDerWaalsContact OE2-CG1 3.23Å; E37-I54 WeakPolarHBondContact OE2-CG1 3.33Å; E37-I54 PolarHBondContact OE2-N 2.82Å; E37-I54 VanDerWaalsContact OE2-N 3.1Å; E37-F55 PolarHBondContact OE1-N 3.12Å; E37-S124 PolarHBondContact N-O 2.76Å; E37-I125 HydrophobicContact CB-CB 3.76Å; E37-I125 HydrophobicContact CB-CD1 3.74Å; E37-I125 HydrophobicContact CB-CG1 3.65Å; E37-I125 HydrophobicContact CG-CB 4.01Å; E37-I125 HydrophobicContact CG-CD1 4.17Å; E37-I125 HydrophobicContact CG-CG1 4.31Å |
| 38 | V | 85.8 | Confident | 89.4 | Confident | 48 Ų | 48 | 48.1 Ų | 48.1 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 136.2 | 172.7 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | L316 | V38-L316 HydrophobicContact CG2-CB 3.91Å; V38-L316 HydrophobicContact CG2-CD1 3.61Å; V38-L316 HydrophobicContact CG2-CG 4.37Å |
| 39 | D | 90.3 | Very high | 90 | Very high | 65 Ų | 65 | 44.7 Ų | 44.7 | 35% | 0.348 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 139.6 | 178.5 | -66.5 | -13.6 | 0 | 0 | 0 | 111.8 | F41 T126 H128 | D39-F41 HydrophobicContact CB-CE2 3.96Å; D39-F41 HydrophobicContact CB-CZ 3.79Å; D39-F41 WeakPolarHBondContact O-CE2 3.16Å; D39-T126 WeakPolarHBondContact CA-O 3.4Å; D39-T126 WeakPolarHBondContact OD1-CB 3.47Å; D39-T126 PolarHBondContact OD1-OG1 2.96Å; D39-H128 IonicContact OD2-NE2 3.65Å |
| 40 | I | 90.9 | Very high | 90.7 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.6 | -178.4 | -66.4 | -175.4 | 0 | 0 | 0 | 109.4 | R42 L50 I125 T126 L127 H128 | I40-R42 HydrophobicContact CG2-CG 3.77Å; I40-R42 VanDerWaalsContact CG2-CZ 3.47Å; I40-L50 HydrophobicContact CD1-CD2 4.08Å; I40-I125 HydrophobicContact CD1-CD1 3.39Å; I40-I125 HydrophobicContact CD1-CG1 4.31Å; I40-I125 HydrophobicContact CG1-CD1 3.87Å; I40-I125 HydrophobicContact CG1-CG1 4.35Å; I40-T126 PolarHBondContact N-O 2.93Å; I40-L127 HydrophobicContact CB-CD1 4.28Å; I40-L127 HydrophobicContact CG2-CD1 3.88Å; I40-L127 CarbonylContact O-C 3.58Å; I40-L127 WeakPolarHBondContact O-CA 3.48Å; I40-H128 PolarHBondContact O-N 3.04Å |
| 41 | F | 92.7 | Very high | 91.3 | Very high | 52 Ų | 52 | 36.1 Ų | 36.1 | 23% | 0.228 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.8 | 178.4 | -51.5 | -87.4 | 0 | 0 | 0 | 110.2 | D39 H128 Y130 A139 L140 | D39-F41 HydrophobicContact CB-CE2 3.96Å; D39-F41 HydrophobicContact CB-CZ 3.79Å; D39-F41 WeakPolarHBondContact O-CE2 3.16Å; F41-H128 CarbonylContact C-O 3.53Å; F41-H128 WeakPolarHBondContact CA-O 3.32Å; F41-H128 HydrophobicContact CD1-CB 3.63Å; F41-H128 AromaticContact CD1-CD2 3.86Å; F41-H128 AromaticContact CD1-CG 3.9Å; F41-H128 HydrophobicContact CE1-CB 4.09Å; F41-H128 AromaticContact CE1-CD2 3.48Å; F41-H128 VanDerWaalsContact CE1-CD2 3.48Å; F41-H128 WeakPolarHBondContact CE1-CD2 3.36Å; F41-H128 AromaticContact CE1-CG 3.83Å; F41-Y130 HydrophobicContact CB-CE2 4.42Å; F41-Y130 AromaticContact CD1-CE2 3.99Å; F41-Y130 HydrophobicContact CD1-CE2 3.99Å; F41-A139 WeakPolarHBondContact CB-O 3.39Å; F41-A139 HydrophobicContact CD1-CB 3.82Å; F41-A139 WeakPolarHBondContact CD2-O 3.42Å; F41-A139 HydrophobicContact CE1-CB 4.13Å; F41-A139 HydrophobicContact CG-CB 4.06Å; F41-A139 WeakPolarHBondContact CG-O 3.22Å; F41-L140 HydrophobicContact CB-CD2 3.88Å |
| 42 | R | 94.7 | Very high | 91.6 | Very high | 31 Ų | 31 | 35 Ų | 35 | 12% | 0.117 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 167.8 | -176.5 | -62.1 | -66.5 | 178.1 | -100.7 | 2.2 | 110.6 | I40 V48 L127 H128 V129 Y130 | I40-R42 HydrophobicContact CG2-CG 3.77Å; I40-R42 VanDerWaalsContact CG2-CZ 3.47Å; R42-V48 HydrophobicContact CB-CG2 3.8Å; R42-V48 HydrophobicContact CG-CG1 4.16Å; R42-V48 HydrophobicContact CG-CG2 3.66Å; R42-L127 HydrophobicContact CB-CD1 4.39Å; R42-L127 HydrophobicContact CG-CD1 4.12Å; R42-H128 PolarHBondContact N-O 2.96Å; R42-V129 CarbonylContact O-C 3.59Å; R42-V129 WeakPolarHBondContact O-CA 3.35Å; R42-Y130 PolarHBondContact O-N 2.87Å |
| 43 | V | 94.6 | Very high | 91.7 | Very high | 19 Ų | 19 | 32.8 Ų | 32.8 | 12% | 0.115 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 152.2 | 174.8 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | E46 Y130 L140 | V43-E46 HydrophobicContact CG2-CG 3.68Å; V43-E46 WeakPolarHBondContact CG2-OE1 3.41Å; V43-Y130 CarbonylContact C-O 3.52Å; V43-Y130 VanDerWaalsContact CA-O 3.29Å; V43-Y130 WeakPolarHBondContact CA-O 3.14Å; V43-L140 HydrophobicContact CG1-CD1 3.83Å; V43-L140 HydrophobicContact CG1-CD2 4.08Å |
| 44 | E | 96.2 | Very high | 91.6 | Very high | 83 Ų | 83 | 30.6 Ų | 30.6 | 39% | 0.388 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 143.1 | 178.1 | 178.8 | 164.1 | -118.2 | 0 | 0 | 111.5 | E46 R103 L104 V129 Y130 | E44-E46 VanDerWaalsContact C-N 3.34Å; E44-R103 WeakPolarHBondContact OE1-CA 3.39Å; E44-L104 HydrophobicContact CB-CD2 4.4Å; E44-L104 HydrophobicContact CB-CG 4.48Å; E44-L104 PolarHBondContact OE1-N 2.94Å; E44-V129 HydrophobicContact CB-CG1 4.11Å; E44-Y130 PolarHBondContact N-O 2.83Å |
| 45 | G | 94.6 | Very high | 91.7 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 38% | 0.381 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -5.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P101 A102 | G45-P101 WeakPolarHBondContact O-CB 3.37Å; G45-A102 PolarHBondContact N-O 2.79Å |
| 46 | E | 94.7 | Very high | 91.8 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -85.2 | 156 | 174.9 | -70.7 | -169.2 | 172.8 | 0 | 0 | 113.8 | V43 E44 P101 A102 K214 S216 R217 | V43-E46 HydrophobicContact CG2-CG 3.68Å; V43-E46 WeakPolarHBondContact CG2-OE1 3.41Å; E44-E46 VanDerWaalsContact C-N 3.34Å; E46-P101 CarbonylContact O-C 3.55Å; E46-P101 WeakPolarHBondContact O-CA 3.26Å; E46-A102 PolarHBondContact O-N 2.81Å; E46-K214 CarbonylContact C-O 3.6Å; E46-K214 WeakPolarHBondContact CA-O 3.3Å; E46-K214 WeakPolarHBondContact CB-O 3.39Å; E46-S216 VanDerWaalsContact CD-N 3.31Å; E46-S216 WeakPolarHBondContact OE1-CA 3.14Å; E46-S216 WeakPolarHBondContact OE1-CB 3.47Å; E46-S216 PolarHBondContact OE1-N 3.22Å; E46-S216 PolarHBondContact OE1-OG 3.08Å; E46-S216 PolarHBondContact OE2-N 2.63Å; E46-R217 IonicContact OE2-NH1 3.29Å; E46-R217 PolarHBondContact OE2-NH1 2.81Å |
| 47 | A | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -72.5 | 124.9 | 162 | 0 | 0 | 0 | 0 | 0 | 110.1 | L100 F162 V206 I208 Y213 K214 V215 | A47-L100 HydrophobicContact CB-CD2 3.61Å; A47-F162 HydrophobicContact CB-CE1 4.05Å; A47-F162 HydrophobicContact CB-CZ 4.34Å; A47-V206 HydrophobicContact CB-CG2 4.3Å; A47-I208 HydrophobicContact CB-CD1 4.25Å; A47-Y213 HydrophobicContact CB-CG 4.11Å; A47-K214 PolarHBondContact N-O 3.02Å; A47-V215 HydrophobicContact CB-CG2 4.14Å | ||
| 48 | V | 95.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 130 | 176.3 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | R42 L50 L99 A102 L127 | R42-V48 HydrophobicContact CB-CG2 3.8Å; R42-V48 HydrophobicContact CG-CG1 4.16Å; R42-V48 HydrophobicContact CG-CG2 3.66Å; V48-L50 HydrophobicContact CG1-CD2 3.96Å; V48-L99 HydrophobicContact CB-CB 4.22Å; V48-L99 HydrophobicContact CB-CD1 4.37Å; V48-L99 HydrophobicContact CG1-CD1 4.33Å; V48-L99 PolarHBondContact N-O 3.33Å; V48-L99 PolarHBondContact O-N 2.8Å; V48-A102 HydrophobicContact CB-CB 4.2Å; V48-A102 HydrophobicContact CG2-CB 3.64Å; V48-L127 HydrophobicContact CG1-CD1 4.11Å; V48-L127 HydrophobicContact CG1-CD2 4.44Å |
| 49 | I | 94 | Very high | 91 | Very high | 22 Ų | 22 | 27.5 Ų | 27.5 | 11% | 0.113 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 114.1 | 172.7 | -58 | 173.6 | 0 | 0 | 0 | 106.4 | E96 L97 W98 R161 F162 | I49-E96 HydrophobicContact CG2-CB 4.14Å; I49-E96 HydrophobicContact CG2-CG 4.5Å; I49-L97 CarbonylContact C-O 3.56Å; I49-L97 WeakPolarHBondContact CA-O 3.34Å; I49-W98 HydrophobicContact CD1-CD2 3.87Å; I49-W98 HydrophobicContact CD1-CE3 3.77Å; I49-W98 HydrophobicContact CD1-CH2 3.92Å; I49-W98 HydrophobicContact CD1-CZ2 3.98Å; I49-W98 HydrophobicContact CD1-CZ3 3.81Å; I49-W98 HydrophobicContact CG1-CD2 3.88Å; I49-W98 HydrophobicContact CG1-CE3 4.05Å; I49-W98 HydrophobicContact CG1-CG 4.14Å; I49-W98 HydrophobicContact CG2-CD2 4.48Å; I49-W98 HydrophobicContact CG2-CG 4.39Å; I49-R161 HydrophobicContact CD1-CB 4.11Å; I49-F162 HydrophobicContact CD1-CD1 4.1Å; I49-F162 HydrophobicContact CD1-CE1 3.62Å; I49-F162 HydrophobicContact CD1-CZ 4.09Å; I49-F162 HydrophobicContact CG1-CE1 4.07Å; I49-F162 HydrophobicContact CG1-CZ 4.21Å |
| 50 | L | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 126.4 | 171.8 | -57.1 | -177.2 | 0 | 0 | 0 | 108.5 | I40 V48 E96 L97 L99 Y110 I125 L127 | I40-L50 HydrophobicContact CD1-CD2 4.08Å; V48-L50 HydrophobicContact CG1-CD2 3.96Å; L50-E96 VanDerWaalsContact O-CA 3.31Å; L50-E96 WeakPolarHBondContact O-CA 3.36Å; L50-L97 HydrophobicContact CB-CB 4.22Å; L50-L97 HydrophobicContact CD1-CD2 4.26Å; L50-L97 PolarHBondContact N-O 2.86Å; L50-L97 PolarHBondContact O-N 2.65Å; L50-L99 HydrophobicContact CD1-CD1 4.47Å; L50-Y110 HydrophobicContact CD1-CD1 4.03Å; L50-Y110 HydrophobicContact CD1-CD2 3.56Å; L50-Y110 HydrophobicContact CD1-CE1 4.25Å; L50-Y110 HydrophobicContact CD1-CE2 3.83Å; L50-Y110 HydrophobicContact CD1-CG 3.67Å; L50-I125 HydrophobicContact CD1-CG2 4.37Å; L50-L127 HydrophobicContact CD1-CB 4.49Å; L50-L127 HydrophobicContact CD1-CD2 4.41Å; L50-L127 HydrophobicContact CD2-CB 4.23Å; L50-L127 HydrophobicContact CD2-CD1 4.2Å; L50-L127 HydrophobicContact CD2-CD2 4.27Å; L50-L127 HydrophobicContact CD2-CG 4.46Å |
| 51 | H | 91.9 | Very high | 89.8 | Confident | 43 Ų | 43 | 33.8 Ų | 33.8 | 20% | 0.199 | 17% | 0.174 | C | C | . | . | trans | -134.2 | 146.1 | 178 | 173.8 | 63.3 | 0 | 0 | 0 | 108.1 | P53 E96 R161 | H51-P53 VanDerWaalsContact C-CD 3.44Å; H51-P53 WeakPolarHBondContact O-CD 3.21Å; H51-E96 IonicContact ND1-OE1 3.92Å; H51-R161 PolarHBondContact CE1-NH2 2.93Å; H51-R161 PolarHBondContact NE2-NH2 3.06Å | ||
| 52 | F | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -115.7 | 74.5 | -172.3 | -60.1 | -108.1 | 0 | 0 | 0 | 110.5 | E37 F55 M56 I73 C112 I125 | E37-F52 HydrophobicContact CG-CB 4.15Å; E37-F52 HydrophobicContact CG-CD1 3.88Å; E37-F52 HydrophobicContact CG-CG 4.34Å; E37-F52 WeakPolarHBondContact OE1-CA 3.39Å; E37-F52 WeakPolarHBondContact OE1-CB 3.39Å; F52-F55 HydrophobicContact CB-CB 3.71Å; F52-F55 HydrophobicContact CB-CD1 4.01Å; F52-F55 HydrophobicContact CB-CG 4.28Å; F52-F55 PolarHBondContact O-N 3.42Å; F52-M56 WeakPolarHBondContact O-CB 3.39Å; F52-M56 WeakPolarHBondContact O-CG 3.2Å; F52-M56 PolarHBondContact O-N 3.13Å; F52-I73 HydrophobicContact CE2-CD1 4Å; F52-I73 HydrophobicContact CE2-CG1 4.41Å; F52-I73 HydrophobicContact CZ-CG2 4.46Å; F52-C112 HydrophobicContact CD1-CB 3.82Å; F52-C112 HydrophobicContact CD2-CB 3.77Å; F52-C112 HydrophobicContact CE1-CB 3.71Å; F52-C112 HydrophobicContact CE2-CB 3.71Å; F52-C112 HydrophobicContact CG-CB 3.85Å; F52-C112 HydrophobicContact CZ-CB 3.66Å; F52-I125 HydrophobicContact CD1-CB 4.13Å; F52-I125 HydrophobicContact CD1-CG2 4.06Å; F52-I125 HydrophobicContact CE1-CB 3.76Å; F52-I125 HydrophobicContact CE1-CG2 3.31Å; F52-I125 HydrophobicContact CE2-CG2 4.11Å; F52-I125 HydrophobicContact CZ-CB 4.27Å; F52-I125 HydrophobicContact CZ-CG2 3.33Å | ||
| 53 | P | 89.2 | Confident | 87.8 | Confident | 61 Ų | 61 | 38 Ų | 38 | 40% | 0.396 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.3 | -40 | -173.8 | 26.1 | -34.6 | 0 | 0 | 0 | 113.8 | E37 H51 F55 M56 R57 | E37-P53 WeakPolarHBondContact OE2-CD 3.38Å; E37-P53 WeakPolarHBondContact OE2-CG 3.49Å; H51-P53 VanDerWaalsContact C-CD 3.44Å; H51-P53 WeakPolarHBondContact O-CD 3.21Å; P53-F55 VanDerWaalsContact C-N 3.33Å; P53-M56 PolarHBondContact O-N 3.15Å; P53-R57 VanDerWaalsContact O-CB 3.28Å; P53-R57 WeakPolarHBondContact O-CB 3.28Å; P53-R57 PolarHBondContact O-N 3.25Å |
| 54 | I | 86.8 | Confident | 86.7 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 177.8 | -62.6 | 176.7 | 0 | 0 | 0 | 109.8 | E37 T58 L316 I336 | E37-I54 WeakPolarHBondContact OE1-CA 3.32Å; E37-I54 WeakPolarHBondContact OE1-CB 3.31Å; E37-I54 PolarHBondContact OE1-N 2.91Å; E37-I54 WeakPolarHBondContact OE2-CB 3.42Å; E37-I54 VanDerWaalsContact OE2-CG1 3.23Å; E37-I54 WeakPolarHBondContact OE2-CG1 3.33Å; E37-I54 PolarHBondContact OE2-N 2.82Å; E37-I54 VanDerWaalsContact OE2-N 3.1Å; I54-T58 WeakPolarHBondContact O-CB 3.4Å; I54-T58 PolarHBondContact O-N 2.75Å; I54-T58 PolarHBondContact O-OG1 2.87Å; I54-L316 HydrophobicContact CD1-CD1 4.41Å; I54-I336 HydrophobicContact CD1-CG2 4.49Å |
| 55 | F | 89.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -51.5 | 175.6 | 171.9 | -110.9 | 0 | 0 | 0 | 112.6 | A34 E37 F52 P53 R57 T58 L59 Y71 C112 V121 G123 | A34-F55 HydrophobicContact CB-CB 4.45Å; A34-F55 HydrophobicContact CB-CD2 3.97Å; E37-F55 PolarHBondContact OE1-N 3.12Å; F52-F55 HydrophobicContact CB-CB 3.71Å; F52-F55 HydrophobicContact CB-CD1 4.01Å; F52-F55 HydrophobicContact CB-CG 4.28Å; F52-F55 PolarHBondContact O-N 3.42Å; P53-F55 VanDerWaalsContact C-N 3.33Å; F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 3.12Å; F55-T58 WeakPolarHBondContact O-CA 3.48Å; F55-T58 VanDerWaalsContact O-CB 3.27Å; F55-T58 WeakPolarHBondContact O-CB 3.35Å; F55-T58 PolarHBondContact O-N 2.9Å; F55-L59 HydrophobicContact CD1-CD1 4.33Å; F55-L59 HydrophobicContact CE1-CD1 3.76Å; F55-L59 HydrophobicContact CE2-CD1 4.28Å; F55-L59 HydrophobicContact CE2-CD2 4.39Å; F55-L59 HydrophobicContact CE2-CG 4.38Å; F55-L59 HydrophobicContact CZ-CD1 3.76Å; F55-L59 HydrophobicContact CZ-CG 4.34Å; F55-L59 PolarHBondContact O-N 3.16Å; F55-L59 VanDerWaalsContact O-N 3.09Å; F55-Y71 HydrophobicContact CE1-CD1 4.09Å; F55-Y71 AromaticContact CE1-CE1 3.95Å; F55-Y71 HydrophobicContact CE1-CE1 3.95Å; F55-C112 HydrophobicContact CD1-CB 4.38Å; F55-C112 HydrophobicContact CE1-CB 4.17Å; F55-V121 HydrophobicContact CD2-CG1 4.41Å; F55-V121 HydrophobicContact CE2-CB 4.15Å; F55-V121 HydrophobicContact CE2-CG1 3.9Å; F55-V121 WeakPolarHBondContact CE2-O 3.47Å; F55-G123 VanDerWaalsContact CD2-N 3.27Å |
| 56 | M | 87.2 | Confident | 83.2 | Confident | 26 Ų | 26 | 38.3 Ų | 38.3 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | -179.3 | -70.8 | -64.6 | 175 | 0 | 0 | 111.3 | F52 P53 T58 L59 E60 Y71 | F52-M56 WeakPolarHBondContact O-CB 3.39Å; F52-M56 WeakPolarHBondContact O-CG 3.2Å; F52-M56 PolarHBondContact O-N 3.13Å; P53-M56 PolarHBondContact O-N 3.15Å; M56-T58 VanDerWaalsContact C-N 3.26Å; M56-T58 PolarHBondContact O-N 3.01Å; M56-L59 WeakPolarHBondContact O-CB 3.34Å; M56-L59 PolarHBondContact O-N 2.8Å; M56-L59 VanDerWaalsContact O-N 3.1Å; M56-L59 HydrophobicContact SD-CD1 4.41Å; M56-E60 WeakPolarHBondContact O-CG 3.22Å; M56-E60 PolarHBondContact O-N 2.86Å; M56-Y71 HydrophobicContact CE-CD1 3.75Å; M56-Y71 HydrophobicContact CE-CE1 3.34Å; M56-Y71 HydrophobicContact CE-CG 4.49Å; M56-Y71 HydrophobicContact SD-CE1 3.58Å; M56-Y71 VanDerWaalsContact SD-CE1 3.58Å; M56-Y71 PolarHBondContact SD-OH 2.83Å |
| 57 | R | 82.8 | Confident | 81.4 | Confident | 72 Ų | 72 | 43.9 Ų | 43.9 | 27% | 0.272 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62 | -35.7 | 175.7 | -170.2 | 173.3 | -170 | 147.1 | 1.7 | 112.5 | P53 F55 L59 E60 L61 R314 | P53-R57 VanDerWaalsContact O-CB 3.28Å; P53-R57 WeakPolarHBondContact O-CB 3.28Å; P53-R57 PolarHBondContact O-N 3.25Å; F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 3.12Å; R57-L59 VanDerWaalsContact C-N 3.32Å; R57-L59 PolarHBondContact O-N 3.17Å; R57-E60 PolarHBondContact O-N 2.87Å; R57-L61 HydrophobicContact CG-CD1 4.01Å; R57-L61 HydrophobicContact CG-CG 4.25Å; R57-L61 WeakPolarHBondContact O-CB 3.29Å; R57-L61 WeakPolarHBondContact O-CG 3.43Å; R57-L61 PolarHBondContact O-N 3.15Å; R57-R314 VanDerWaalsContact NH1-CB 3.29Å |
| 58 | T | 82.8 | Confident | 79.8 | Confident | 20 Ų | 20 | 48.7 Ų | 48.7 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | 175 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | L25 A34 I54 F55 M56 R62 | L25-T58 HydrophobicContact CD1-CG2 3.76Å; L25-T58 HydrophobicContact CD2-CG2 4.01Å; L25-T58 HydrophobicContact CG-CG2 4.46Å; A34-T58 HydrophobicContact CB-CG2 4.19Å; I54-T58 WeakPolarHBondContact O-CB 3.4Å; I54-T58 PolarHBondContact O-N 2.75Å; I54-T58 PolarHBondContact O-OG1 2.87Å; F55-T58 WeakPolarHBondContact O-CA 3.48Å; F55-T58 VanDerWaalsContact O-CB 3.27Å; F55-T58 WeakPolarHBondContact O-CB 3.35Å; F55-T58 PolarHBondContact O-N 2.9Å; M56-T58 VanDerWaalsContact C-N 3.26Å; M56-T58 PolarHBondContact O-N 3.01Å; T58-R62 WeakPolarHBondContact O-CB 3.43Å; T58-R62 WeakPolarHBondContact O-CG 3.23Å; T58-R62 PolarHBondContact O-N 2.67Å |
| 59 | L | 82.4 | Confident | 78.5 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 175.5 | -61.7 | 177.8 | 0 | 0 | 0 | 111.7 | F55 M56 R57 D63 I64 Y71 Y114 V121 | F55-L59 HydrophobicContact CD1-CD1 4.33Å; F55-L59 HydrophobicContact CE1-CD1 3.76Å; F55-L59 HydrophobicContact CE2-CD1 4.28Å; F55-L59 HydrophobicContact CE2-CD2 4.39Å; F55-L59 HydrophobicContact CE2-CG 4.38Å; F55-L59 HydrophobicContact CZ-CD1 3.76Å; F55-L59 HydrophobicContact CZ-CG 4.34Å; F55-L59 PolarHBondContact O-N 3.16Å; F55-L59 VanDerWaalsContact O-N 3.09Å; M56-L59 WeakPolarHBondContact O-CB 3.34Å; M56-L59 PolarHBondContact O-N 2.8Å; M56-L59 VanDerWaalsContact O-N 3.1Å; M56-L59 HydrophobicContact SD-CD1 4.41Å; R57-L59 VanDerWaalsContact C-N 3.32Å; R57-L59 PolarHBondContact O-N 3.17Å; L59-D63 PolarHBondContact O-N 2.87Å; L59-I64 HydrophobicContact CD2-CB 4.27Å; L59-I64 HydrophobicContact CD2-CG2 4.02Å; L59-I64 PolarHBondContact O-N 3.22Å; L59-Y71 HydrophobicContact CD1-CE1 3.83Å; L59-Y114 HydrophobicContact CD1-CD1 3.82Å; L59-Y114 HydrophobicContact CD1-CD2 4.29Å; L59-Y114 HydrophobicContact CD1-CE1 4.4Å; L59-Y114 HydrophobicContact CD1-CG 3.73Å; L59-Y114 HydrophobicContact CD2-CD1 3.82Å; L59-Y114 HydrophobicContact CD2-CG 4.37Å; L59-Y114 HydrophobicContact CG-CD1 4.45Å; L59-V121 HydrophobicContact CD2-CB 3.81Å; L59-V121 HydrophobicContact CD2-CG1 4.04Å; L59-V121 HydrophobicContact CD2-CG2 3.89Å |
| 60 | E | 81.4 | Confident | 77.8 | Confident | 143 Ų | 143 | 55.5 Ų | 55.5 | 67% | 0.668 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.2 | -52.3 | 179.5 | -71.7 | 173 | -178.5 | 0 | 0 | 112.2 | M56 R57 R62 D63 | M56-E60 WeakPolarHBondContact O-CG 3.22Å; M56-E60 PolarHBondContact O-N 2.86Å; R57-E60 PolarHBondContact O-N 2.87Å; E60-R62 PolarHBondContact O-N 2.69Å; E60-D63 PolarHBondContact O-N 2.92Å; E60-D63 VanDerWaalsContact O-N 3.09Å |
| 61 | L | 75.1 | Confident | 77.5 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 43% | 0.429 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.8 | -31.1 | -177.6 | -72.9 | 175.1 | 0 | 0 | 0 | 112.7 | L22 R57 A339 | L22-L61 HydrophobicContact CD1-CB 4.14Å; L22-L61 VanDerWaalsContact CD1-O 3.29Å; L22-L61 WeakPolarHBondContact CD1-O 3.39Å; R57-L61 HydrophobicContact CG-CD1 4.01Å; R57-L61 HydrophobicContact CG-CG 4.25Å; R57-L61 WeakPolarHBondContact O-CB 3.29Å; R57-L61 WeakPolarHBondContact O-CG 3.43Å; R57-L61 PolarHBondContact O-N 3.15Å; L61-A339 HydrophobicContact CD1-CB 3.59Å |
| 62 | R | 75.5 | Confident | 77.4 | Confident | 61 Ų | 61 | 59 Ų | 59 | 23% | 0.23 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -1.6 | 179.7 | -66.1 | -179.9 | -175.6 | -87.2 | -3.5 | 113.6 | L22 P23 T58 E60 I64 | L22-R62 HydrophobicContact CD1-CB 4.39Å; L22-R62 HydrophobicContact CD1-CG 3.56Å; P23-R62 PolarHBondContact O-NH1 2.91Å; P23-R62 PolarHBondContact O-NH2 2.8Å; T58-R62 WeakPolarHBondContact O-CB 3.43Å; T58-R62 WeakPolarHBondContact O-CG 3.23Å; T58-R62 PolarHBondContact O-N 2.67Å; E60-R62 PolarHBondContact O-N 2.69Å; R62-I64 HydrophobicContact CB-CB 4.43Å; R62-I64 HydrophobicContact CB-CD1 3.42Å; R62-I64 VanDerWaalsContact CB-CD1 3.42Å; R62-I64 HydrophobicContact CB-CG1 3.57Å; R62-I64 HydrophobicContact CG-CD1 4.16Å; R62-I64 PolarHBondContact O-N 2.88Å |
| 63 | D | 70.2 | Confident | 77.3 | Confident | 111 Ų | 111 | 59 Ų | 59 | 59% | 0.594 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 29.3 | -176.9 | -146.7 | 3 | 0 | 0 | 0 | 111.7 | K19 L59 E60 A65 | K19-D63 IonicContact NZ-OD2 2.98Å; K19-D63 PolarHBondContact NZ-OD2 2.84Å; L59-D63 PolarHBondContact O-N 2.87Å; E60-D63 PolarHBondContact O-N 2.92Å; E60-D63 VanDerWaalsContact O-N 3.09Å; D63-A65 PolarHBondContact O-N 3.38Å |
| 64 | I | 69.6 | Low | 77.2 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 19% | 0.185 | 31% | 0.313 | C | S | . | . | trans | -84.3 | 3.5 | -176.5 | -65.5 | 171.4 | 0 | 0 | 0 | 110.8 | L59 R62 P66 Y114 F119 V121 | L59-I64 HydrophobicContact CD2-CB 4.27Å; L59-I64 HydrophobicContact CD2-CG2 4.02Å; L59-I64 PolarHBondContact O-N 3.22Å; R62-I64 HydrophobicContact CB-CB 4.43Å; R62-I64 HydrophobicContact CB-CD1 3.42Å; R62-I64 VanDerWaalsContact CB-CD1 3.42Å; R62-I64 HydrophobicContact CB-CG1 3.57Å; R62-I64 HydrophobicContact CG-CD1 4.16Å; R62-I64 PolarHBondContact O-N 2.88Å; I64-P66 WeakPolarHBondContact O-CD 3.49Å; I64-Y114 VanDerWaalsContact O-CE1 3.25Å; I64-Y114 WeakPolarHBondContact O-CE1 3.46Å; I64-F119 HydrophobicContact CG2-CD2 3.63Å; I64-F119 HydrophobicContact CG2-CE2 3.9Å; I64-F119 HydrophobicContact CG2-CG 4.06Å; I64-F119 HydrophobicContact CG2-CZ 4.48Å; I64-F119 WeakPolarHBondContact O-CE2 3.37Å; I64-F119 WeakPolarHBondContact O-CZ 3.27Å; I64-V121 HydrophobicContact CD1-CG2 4.35Å; I64-V121 HydrophobicContact CG2-CG2 3.94Å | ||
| 65 | A | 62.7 | Low | 77.2 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 41% | 0.405 | 32% | 0.323 | S | S | . | . | trans | -100.7 | 47.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D63 Y114 | D63-A65 PolarHBondContact O-N 3.38Å; A65-Y114 WeakPolarHBondContact CA-OH 3.4Å | ||
| 66 | P | 55.7 | Low | 76.2 | Confident | 61 Ų | 61 | 65 Ų | 65 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | trans | -74.3 | 140.5 | 169.6 | 31.5 | -28.6 | 0 | 0 | 0 | 110.2 | I64 F119 | I64-P66 WeakPolarHBondContact O-CD 3.49Å; P66-F119 HydrophobicContact CG-CE1 4.03Å; P66-F119 HydrophobicContact CG-CZ 4.19Å | ||
| 67 | P | 56.7 | Low | 74.7 | Confident | 126 Ų | 126 | 71.1 Ų | 71.1 | 82% | 0.818 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 134.7 | 170.7 | 20.4 | -26.7 | 0 | 0 | 0 | 109.8 | ||
| 68 | P | 61.4 | Low | 73 | Confident | 102 Ų | 102 | 69.9 Ų | 69.9 | 66% | 0.662 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -123.2 | 33.2 | 29.4 | 42.4 | -30 | 0 | 0 | 0 | 115.9 | ||
| 69 | A | 68.5 | Low | 70.9 | Confident | 18 Ų | 18 | 76.5 Ų | 76.5 | 15% | 0.149 | 43% | 0.431 | C | S | . | . | trans | -65.2 | 145.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y114 N116 F119 | A69-Y114 HydrophobicContact CB-CD1 4.34Å; A69-Y114 HydrophobicContact CB-CD2 4.28Å; A69-Y114 HydrophobicContact CB-CE1 3.66Å; A69-Y114 HydrophobicContact CB-CE2 3.61Å; A69-Y114 WeakPolarHBondContact CB-OH 3.48Å; A69-Y114 WeakPolarHBondContact O-CE2 3.47Å; A69-N116 HydrophobicContact CB-CB 3.91Å; A69-F119 HydrophobicContact CB-CE2 3.84Å; A69-F119 HydrophobicContact CB-CZ 3.78Å | ||
| 70 | Q | 79.4 | Confident | 69.2 | Low | 148 Ų | 148 | 83 Ų | 83 | 69% | 0.692 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 145.2 | -173.2 | -66 | -178.4 | 1.6 | 0 | 0 | 111.8 | R115 | Q70-R115 PolarHBondContact N-O 2.79Å; Q70-R115 PolarHBondContact O-N 3.31Å |
| 71 | Y | 87.4 | Confident | 67.7 | Low | 64 Ų | 64 | 84.2 Ų | 84.2 | 25% | 0.251 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.5 | 169.8 | -63.4 | -79.6 | 0 | 0 | 0 | 109.7 | F55 M56 L59 Q92 G94 T113 Y114 | F55-Y71 HydrophobicContact CE1-CD1 4.09Å; F55-Y71 AromaticContact CE1-CE1 3.95Å; F55-Y71 HydrophobicContact CE1-CE1 3.95Å; M56-Y71 HydrophobicContact CE-CD1 3.75Å; M56-Y71 HydrophobicContact CE-CE1 3.34Å; M56-Y71 HydrophobicContact CE-CG 4.49Å; M56-Y71 HydrophobicContact SD-CE1 3.58Å; M56-Y71 VanDerWaalsContact SD-CE1 3.58Å; M56-Y71 PolarHBondContact SD-OH 2.83Å; L59-Y71 HydrophobicContact CD1-CE1 3.83Å; Y71-Q92 PolarHBondContact O-NE2 2.49Å; Y71-G94 WeakPolarHBondContact CB-O 3.3Å; Y71-T113 CarbonylContact C-O 3.51Å; Y71-T113 WeakPolarHBondContact CA-O 3.08Å; Y71-Y114 AromaticContact CD1-CD2 3.59Å; Y71-Y114 HydrophobicContact CD1-CD2 3.59Å; Y71-Y114 HydrophobicContact CD1-CE2 4.42Å; Y71-Y114 HydrophobicContact CD1-CG 4.31Å; Y71-Y114 HydrophobicContact CD2-CD2 4.22Å; Y71-Y114 HydrophobicContact CD2-CE2 4.35Å; Y71-Y114 AromaticContact CE1-CD2 3.32Å; Y71-Y114 HydrophobicContact CE1-CD2 3.32Å; Y71-Y114 AromaticContact CE1-CE2 3.93Å; Y71-Y114 HydrophobicContact CE1-CE2 3.93Å; Y71-Y114 AromaticContact CE1-CG 3.97Å; Y71-Y114 HydrophobicContact CE1-CG 3.97Å; Y71-Y114 HydrophobicContact CE2-CD2 4.01Å; Y71-Y114 AromaticContact CE2-CE2 3.87Å; Y71-Y114 HydrophobicContact CE2-CE2 3.87Å; Y71-Y114 HydrophobicContact CG-CD2 4.03Å; Y71-Y114 AromaticContact CZ-CD2 3.56Å; Y71-Y114 AromaticContact CZ-CE2 3.63Å |
| 72 | V | 89.1 | Confident | 66.5 | Low | 51 Ų | 51 | 83.7 Ų | 83.7 | 31% | 0.309 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 116.5 | 174.3 | -179 | 0 | 0 | 0 | 0 | 108.4 | T113 | V72-T113 PolarHBondContact N-O 3.4Å; V72-T113 PolarHBondContact O-N 2.78Å |
| 73 | I | 90.3 | Very high | 65.4 | Low | 2 Ų | 2 | 84.7 Ų | 84.7 | 1% | 0.01 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.3 | 177 | -58.6 | 174.3 | 0 | 0 | 0 | 108.4 | F52 Y84 Q92 L97 Y110 T111 C112 | F52-I73 HydrophobicContact CE2-CD1 4Å; F52-I73 HydrophobicContact CE2-CG1 4.41Å; F52-I73 HydrophobicContact CZ-CG2 4.46Å; I73-Y84 WeakPolarHBondContact O-CE2 3.4Å; I73-Q92 HydrophobicContact CD1-CG 4.17Å; I73-Q92 HydrophobicContact CG1-CG 4.48Å; I73-L97 HydrophobicContact CD1-CB 3.83Å; I73-L97 HydrophobicContact CG2-CB 4.29Å; I73-L97 HydrophobicContact CG2-CD2 4.12Å; I73-Y110 HydrophobicContact CG2-CD1 4.3Å; I73-T111 WeakPolarHBondContact CA-O 3.05Å; I73-C112 HydrophobicContact CG1-CB 4.07Å |
| 74 | S | 87.4 | Confident | 65.2 | Low | 31 Ų | 31 | 81.9 Ų | 81.9 | 22% | 0.217 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 158.6 | 178.8 | 62 | 0 | 0 | 0 | 0 | 110.8 | Y110 T111 | S74-Y110 CarbonylContact O-C 3.53Å; S74-Y110 WeakPolarHBondContact O-CA 3.42Å; S74-T111 PolarHBondContact N-O 2.84Å; S74-T111 PolarHBondContact O-N 3.28Å; S74-T111 PolarHBondContact OG-O 2.82Å |
| 75 | R | 87.1 | Confident | 64.8 | Low | 62 Ų | 62 | 87.2 Ų | 87.2 | 23% | 0.234 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.3 | 177 | -173.6 | 179 | 177.8 | -165.4 | -2.8 | 109.3 | N77 G78 S105 S107 Y110 | R75-N77 PolarHBondContact O-N 3.47Å; R75-G78 PolarHBondContact O-N 3.29Å; R75-S105 PolarHBondContact NH1-O 2.82Å; R75-S105 PolarHBondContact NH2-O 2.86Å; R75-S107 PolarHBondContact NH2-O 3.35Å; R75-Y110 HydrophobicContact CB-CD1 4.2Å; R75-Y110 HydrophobicContact CB-CE1 4.15Å; R75-Y110 HydrophobicContact CG-CD1 4.42Å; R75-Y110 HydrophobicContact CG-CE1 4.2Å |
| 76 | N | 68.2 | Low | 64.8 | Low | 98 Ų | 98 | 90 Ų | 90 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -12 | -172 | -83.7 | 17 | 0 | 0 | 0 | 115.9 | K109 T111 | N76-K109 PolarHBondContact N-O 3.5Å; N76-K109 WeakPolarHBondContact ND2-CE 3.44Å; N76-T111 PolarHBondContact OD1-OG1 2.95Å |
| 77 | N | 55 | Low | 65.3 | Low | 155 Ų | 155 | 95.5 Ų | 95.5 | 83% | 0.829 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 5.9 | -177.4 | -109.8 | 14.1 | 0 | 0 | 0 | 114.8 | R75 | R75-N77 PolarHBondContact O-N 3.47Š|
| 78 | G | 46.5 | Very low | 66.5 | Low | 46 Ų | 46 | 91.9 Ų | 91.9 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | trans | -119.2 | 122.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | R75 E80 | R75-G78 PolarHBondContact O-N 3.29Å; G78-E80 PolarHBondContact O-N 2.8Å | ||
| 79 | T | 39.4 | Very low | 67.9 | Low | 158 Ų | 158 | 89.7 Ų | 89.7 | 97% | 0.969 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -65.4 | 8.6 | 165.3 | 23.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 80 | E | 45.7 | Very low | 69 | Low | 140 Ų | 140 | 90 Ų | 90 | 65% | 0.654 | 49% | 0.485 | S | S | * | . | trans | -114.2 | 115.1 | 175.1 | -70.8 | -175.1 | 161.5 | 0 | 0 | 109.3 | G78 T82 | G78-E80 PolarHBondContact O-N 2.8Å; E80-T82 HydrophobicContact CB-CG2 4.35Å; E80-T82 PolarHBondContact O-N 2.83Å; E80-T82 PolarHBondContact O-OG1 2.78Å | ||
| 81 | Q | 49.9 | Very low | 69.6 | Low | 168 Ų | 168 | 83.6 Ų | 83.6 | 79% | 0.785 | 46% | 0.455 | S | S | * | . | trans | -63.9 | 72.7 | 152.8 | -81.9 | 171.5 | -51.5 | 0 | 0 | 107.8 | A83 | Q81-A83 PolarHBondContact O-N 2.91Š| ||
| 82 | T | 50.2 | Low | 69.7 | Low | 70 Ų | 70 | 81.7 Ų | 81.7 | 43% | 0.429 | 45% | 0.448 | S | S | . | . | trans | -75.4 | 106.5 | 171.3 | 11.9 | 0 | 0 | 0 | 0 | 106.6 | E80 Y84 | E80-T82 HydrophobicContact CB-CG2 4.35Å; E80-T82 PolarHBondContact O-N 2.83Å; E80-T82 PolarHBondContact O-OG1 2.78Å; T82-Y84 PolarHBondContact O-N 3.32Å | ||
| 83 | A | 53.8 | Low | 69.6 | Low | 83 Ų | 83 | 82.6 Ų | 82.6 | 69% | 0.686 | 45% | 0.449 | S | S | * | . | trans | -57.3 | 108.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | Q81 E85 | Q81-A83 PolarHBondContact O-N 2.91Å; A83-E85 PolarHBondContact O-N 2.92Å; A83-E85 VanDerWaalsContact O-N 3.08Å | ||
| 84 | Y | 66.1 | Low | 69.5 | Low | 52 Ų | 52 | 84.7 Ų | 84.7 | 20% | 0.204 | 47% | 0.471 | C | S | . | . | trans | -66.2 | 112.5 | 178.5 | -62.1 | -76.7 | 0 | 0 | 0 | 107.7 | I73 T82 V90 L97 | I73-Y84 WeakPolarHBondContact O-CE2 3.4Å; T82-Y84 PolarHBondContact O-N 3.32Å; Y84-V90 HydrophobicContact CD1-CB 3.92Å; Y84-V90 HydrophobicContact CD1-CG1 3.36Å; Y84-V90 HydrophobicContact CE1-CB 4.27Å; Y84-V90 HydrophobicContact CE1-CG1 3.56Å; Y84-V90 HydrophobicContact CG-CG1 3.88Å; Y84-L97 HydrophobicContact CD2-CD1 3.45Å; Y84-L97 VanDerWaalsContact CD2-CD1 3.45Å; Y84-L97 HydrophobicContact CE2-CD1 3.82Å; Y84-L97 HydrophobicContact CE2-CD2 4.38Å; Y84-L97 HydrophobicContact CG-CD1 3.89Å | ||
| 85 | E | 61.1 | Low | 69.5 | Low | 147 Ų | 147 | 83.6 Ų | 83.6 | 69% | 0.687 | 46% | 0.464 | S | S | * | . | trans | -59.3 | 151.3 | 176.7 | -66.3 | -175.7 | 168.7 | 0 | 0 | 110.7 | A83 K87 | A83-E85 PolarHBondContact O-N 2.92Å; A83-E85 VanDerWaalsContact O-N 3.08Å; E85-K87 PolarHBondContact O-N 3.47Å | ||
| 86 | D | 62.7 | Low | 69.7 | Low | 108 Ų | 108 | 81.8 Ų | 81.8 | 58% | 0.578 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -63.6 | 5.3 | 173.4 | -72.7 | -20.8 | 0 | 0 | 0 | 113.6 | H93 | D86-H93 IonicContact OD1-CE1 3.79Š|
| 87 | K | 64.6 | Low | 70.9 | Confident | 176 Ų | 176 | 77.1 Ų | 77.1 | 77% | 0.765 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -128.6 | 129.8 | -177.2 | -67 | -178 | -178.7 | 175.2 | 0 | 109.9 | E85 | E85-K87 PolarHBondContact O-N 3.47Š|
| 88 | G | 83.4 | Confident | 72.8 | Confident | 50 Ų | 50 | 72 Ų | 72 | 52% | 0.515 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 124.9 | -166.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q91 | G88-Q91 WeakPolarHBondContact O-CG 3.4Å; G88-Q91 PolarHBondContact O-NE2 3.48Å |
| 89 | R | 90.5 | Very high | 75.1 | Confident | 56 Ų | 56 | 69.8 Ų | 69.8 | 21% | 0.211 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -74.8 | -35.2 | -179.5 | -173.8 | -173.1 | 67 | 83 | -3.3 | 112.5 | L100 P101 D106 | R89-L100 WeakPolarHBondContact CG-O 3.42Å; R89-L100 PolarHBondContact O-N 3.12Å; R89-P101 WeakPolarHBondContact CD-O 3.28Å; R89-P101 PolarHBondContact NH1-O 2.77Å; R89-D106 IonicContact CZ-OD1 3.18Å; R89-D106 IonicContact CZ-OD2 3.7Å; R89-D106 IonicContact NH1-OD1 2.76Å; R89-D106 PolarHBondContact NH1-OD1 2.83Å; R89-D106 IonicContact NH1-OD2 2.74Å; R89-D106 PolarHBondContact NH1-OD2 3.01Å; R89-D106 IonicContact NH2-OD1 3.2Å; R89-D106 PolarHBondContact NH2-OD1 2.86Å; R89-D106 IonicContact NH2-OD2 3.75Å |
| 90 | V | 91.6 | Very high | 77.7 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 16% | 0.158 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118 | 178.4 | -172.5 | 0 | 0 | 0 | 0 | 107.2 | Y84 L97 W98 L99 | Y84-V90 HydrophobicContact CD1-CB 3.92Å; Y84-V90 HydrophobicContact CD1-CG1 3.36Å; Y84-V90 HydrophobicContact CE1-CB 4.27Å; Y84-V90 HydrophobicContact CE1-CG1 3.56Å; Y84-V90 HydrophobicContact CG-CG1 3.88Å; V90-L97 HydrophobicContact CG1-CD1 3.77Å; V90-L97 HydrophobicContact CG1-CD2 4.35Å; V90-L97 HydrophobicContact CG1-CG 4.15Å; V90-W98 WeakPolarHBondContact CA-O 3.3Å; V90-L99 HydrophobicContact CB-CD2 4.35Å; V90-L99 HydrophobicContact CG1-CD2 3.87Å; V90-L99 HydrophobicContact CG2-CD2 3.82Å |
| 91 | Q | 90.9 | Very high | 80.1 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.8 | -174.5 | -55.2 | 168.6 | 21.3 | 0 | 0 | 108.9 | G88 H93 W98 | G88-Q91 WeakPolarHBondContact O-CG 3.4Å; G88-Q91 PolarHBondContact O-NE2 3.48Å; Q91-H93 PolarHBondContact OE1-NE2 3.09Å; Q91-H93 VanDerWaalsContact OE1-NE2 3.16Å; Q91-W98 HydrophobicContact CB-CB 4.31Å; Q91-W98 PolarHBondContact N-O 2.69Å; Q91-W98 PolarHBondContact O-N 2.97Å |
| 92 | Q | 90.1 | Very high | 82.2 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 11% | 0.112 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118 | 174.8 | -177.3 | -176.8 | -33.4 | 0 | 0 | 110.3 | Y71 I73 G94 E96 L97 | Y71-Q92 PolarHBondContact O-NE2 2.49Å; I73-Q92 HydrophobicContact CD1-CG 4.17Å; I73-Q92 HydrophobicContact CG1-CG 4.48Å; Q92-G94 WeakPolarHBondContact CG-O 3.44Å; Q92-G94 PolarHBondContact NE2-O 3.15Å; Q92-E96 WeakPolarHBondContact CA-O 3.43Å; Q92-L97 HydrophobicContact CB-CD1 4.12Å |
| 93 | H | 88 | Confident | 84.4 | Confident | 70 Ų | 70 | 52.9 Ų | 52.9 | 32% | 0.324 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 94.8 | 176.4 | -67.1 | -81.7 | 0 | 0 | 0 | 108.7 | D86 Q91 G95 E96 W98 | D86-H93 IonicContact OD1-CE1 3.79Å; Q91-H93 PolarHBondContact OE1-NE2 3.09Å; Q91-H93 VanDerWaalsContact OE1-NE2 3.16Å; H93-G95 PolarHBondContact O-N 2.68Å; H93-G95 VanDerWaalsContact O-N 3.15Å; H93-E96 PolarHBondContact N-O 2.84Å; H93-E96 PolarHBondContact O-N 3.34Å; H93-E96 VanDerWaalsContact O-N 3.07Å; H93-W98 AromaticContact CD2-CD1 3.59Å; H93-W98 AromaticContact CD2-CD2 3.93Å; H93-W98 AromaticContact CD2-CE2 3.88Å; H93-W98 AromaticContact CD2-CG 3.77Å; H93-W98 AromaticContact CD2-NE1 3.71Å |
| 94 | G | 86.8 | Confident | 86.4 | Confident | 46 Ų | 46 | 52.3 Ų | 52.3 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -117.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y71 Q92 E96 | Y71-G94 WeakPolarHBondContact CB-O 3.3Å; Q92-G94 WeakPolarHBondContact CG-O 3.44Å; Q92-G94 PolarHBondContact NE2-O 3.15Å; G94-E96 VanDerWaalsContact C-N 3.33Å |
| 95 | G | 87.1 | Confident | 87.6 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 15 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | H93 | H93-G95 PolarHBondContact O-N 2.68Å; H93-G95 VanDerWaalsContact O-N 3.15Å |
| 96 | E | 92.4 | Very high | 89.2 | Confident | 25 Ų | 25 | 46.5 Ų | 46.5 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 142.9 | 179.9 | -60.3 | -178.7 | 161.7 | 0 | 0 | 111.5 | I49 L50 H51 Q92 H93 G94 W98 R161 | I49-E96 HydrophobicContact CG2-CB 4.14Å; I49-E96 HydrophobicContact CG2-CG 4.5Å; L50-E96 VanDerWaalsContact O-CA 3.31Å; L50-E96 WeakPolarHBondContact O-CA 3.36Å; H51-E96 IonicContact ND1-OE1 3.92Å; Q92-E96 WeakPolarHBondContact CA-O 3.43Å; H93-E96 PolarHBondContact N-O 2.84Å; H93-E96 PolarHBondContact O-N 3.34Å; H93-E96 VanDerWaalsContact O-N 3.07Å; G94-E96 VanDerWaalsContact C-N 3.33Å; E96-W98 PolarHBondContact OE2-NE1 2.67Å; E96-W98 VanDerWaalsContact OE2-NE1 3.1Å; E96-R161 WeakPolarHBondContact OE1-CD 3.45Å; E96-R161 IonicContact OE1-CZ 3.8Å; E96-R161 IonicContact OE1-NE 3.62Å; E96-R161 PolarHBondContact OE1-NE 2.92Å; E96-R161 IonicContact OE1-NH1 3.86Å; E96-R161 PolarHBondContact OE1-NH1 3.26Å; E96-R161 IonicContact OE1-NH2 3.18Å |
| 97 | L | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 120.4 | 173 | -169.2 | 72.3 | 0 | 0 | 0 | 110.4 | I49 L50 I73 Y84 V90 Q92 Y110 | I49-L97 CarbonylContact C-O 3.56Å; I49-L97 WeakPolarHBondContact CA-O 3.34Å; L50-L97 HydrophobicContact CB-CB 4.22Å; L50-L97 HydrophobicContact CD1-CD2 4.26Å; L50-L97 PolarHBondContact N-O 2.86Å; L50-L97 PolarHBondContact O-N 2.65Å; I73-L97 HydrophobicContact CD1-CB 3.83Å; I73-L97 HydrophobicContact CG2-CB 4.29Å; I73-L97 HydrophobicContact CG2-CD2 4.12Å; Y84-L97 HydrophobicContact CD2-CD1 3.45Å; Y84-L97 VanDerWaalsContact CD2-CD1 3.45Å; Y84-L97 HydrophobicContact CE2-CD1 3.82Å; Y84-L97 HydrophobicContact CE2-CD2 4.38Å; Y84-L97 HydrophobicContact CG-CD1 3.89Å; V90-L97 HydrophobicContact CG1-CD1 3.77Å; V90-L97 HydrophobicContact CG1-CD2 4.35Å; V90-L97 HydrophobicContact CG1-CG 4.15Å; Q92-L97 HydrophobicContact CB-CD1 4.12Å; L97-Y110 HydrophobicContact CD2-CD1 3.58Å; L97-Y110 HydrophobicContact CD2-CE1 3.38Å |
| 98 | W | 94.1 | Very high | 92.1 | Very high | 46 Ų | 46 | 36 Ų | 36 | 17% | 0.174 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 121.5 | -175.4 | -63.8 | 50.5 | 0 | 0 | 0 | 109.1 | I49 V90 Q91 H93 E96 L100 I208 | I49-W98 HydrophobicContact CD1-CD2 3.87Å; I49-W98 HydrophobicContact CD1-CE3 3.77Å; I49-W98 HydrophobicContact CD1-CH2 3.92Å; I49-W98 HydrophobicContact CD1-CZ2 3.98Å; I49-W98 HydrophobicContact CD1-CZ3 3.81Å; I49-W98 HydrophobicContact CG1-CD2 3.88Å; I49-W98 HydrophobicContact CG1-CE3 4.05Å; I49-W98 HydrophobicContact CG1-CG 4.14Å; I49-W98 HydrophobicContact CG2-CD2 4.48Å; I49-W98 HydrophobicContact CG2-CG 4.39Å; V90-W98 WeakPolarHBondContact CA-O 3.3Å; Q91-W98 HydrophobicContact CB-CB 4.31Å; Q91-W98 PolarHBondContact N-O 2.69Å; Q91-W98 PolarHBondContact O-N 2.97Å; H93-W98 AromaticContact CD2-CD1 3.59Å; H93-W98 AromaticContact CD2-CD2 3.93Å; H93-W98 AromaticContact CD2-CE2 3.88Å; H93-W98 AromaticContact CD2-CG 3.77Å; H93-W98 AromaticContact CD2-NE1 3.71Å; E96-W98 PolarHBondContact OE2-NE1 2.67Å; E96-W98 VanDerWaalsContact OE2-NE1 3.1Å; W98-L100 HydrophobicContact CB-CD1 4.36Å; W98-L100 HydrophobicContact CB-CG 4.23Å; W98-L100 HydrophobicContact CE3-CD1 4.12Å; W98-I208 HydrophobicContact CE3-CD1 4.27Å; W98-I208 HydrophobicContact CE3-CG2 4.14Å; W98-I208 HydrophobicContact CZ3-CD1 4.02Å; W98-I208 HydrophobicContact CZ3-CG1 4.26Å; W98-I208 HydrophobicContact CZ3-CG2 3.76Å |
| 99 | L | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 102.3 | 179 | -61.5 | 165.6 | 0 | 0 | 0 | 108.4 | V48 L50 V90 P101 A102 D106 L127 | V48-L99 HydrophobicContact CB-CB 4.22Å; V48-L99 HydrophobicContact CB-CD1 4.37Å; V48-L99 HydrophobicContact CG1-CD1 4.33Å; V48-L99 PolarHBondContact N-O 3.33Å; V48-L99 PolarHBondContact O-N 2.8Å; L50-L99 HydrophobicContact CD1-CD1 4.47Å; V90-L99 HydrophobicContact CB-CD2 4.35Å; V90-L99 HydrophobicContact CG1-CD2 3.87Å; V90-L99 HydrophobicContact CG2-CD2 3.82Å; L99-P101 CarbonylContact O-C 3.55Å; L99-A102 HydrophobicContact CB-CB 4.24Å; L99-A102 PolarHBondContact O-N 3.44Å; L99-D106 HydrophobicContact CD1-CB 4.29Å; L99-D106 HydrophobicContact CD2-CB 4.48Å; L99-L127 HydrophobicContact CD1-CD2 3.39Å |
| 100 | L | 94 | Very high | 92.8 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 83.6 | -165.3 | -57.3 | -178.7 | 0 | 0 | 0 | 112 | A47 R89 W98 I208 Y213 | A47-L100 HydrophobicContact CB-CD2 3.61Å; R89-L100 WeakPolarHBondContact CG-O 3.42Å; R89-L100 PolarHBondContact O-N 3.12Å; W98-L100 HydrophobicContact CB-CD1 4.36Å; W98-L100 HydrophobicContact CB-CG 4.23Å; W98-L100 HydrophobicContact CE3-CD1 4.12Å; L100-I208 HydrophobicContact CD1-CD1 4.38Å; L100-I208 HydrophobicContact CD1-CG2 3.78Å; L100-I208 HydrophobicContact CD2-CD1 3.66Å; L100-Y213 HydrophobicContact CB-CD1 4.36Å; L100-Y213 HydrophobicContact CB-CE1 3.76Å; L100-Y213 HydrophobicContact CB-CE2 4.39Å; L100-Y213 HydrophobicContact CD1-CE2 4.44Å |
| 101 | P | 95.3 | Very high | 92.8 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 31% | 0.305 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -89.6 | 167.4 | -4.7 | 35.3 | -34.4 | 0 | 0 | 0 | 113.1 | G45 E46 R89 L99 | G45-P101 WeakPolarHBondContact O-CB 3.37Å; E46-P101 CarbonylContact O-C 3.55Å; E46-P101 WeakPolarHBondContact O-CA 3.26Å; R89-P101 WeakPolarHBondContact CD-O 3.28Å; R89-P101 PolarHBondContact NH1-O 2.77Å; L99-P101 CarbonylContact O-C 3.55Å |
| 102 | A | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -69.2 | 145 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G45 E46 V48 L99 D106 V129 | G45-A102 PolarHBondContact N-O 2.79Å; E46-A102 PolarHBondContact O-N 2.81Å; V48-A102 HydrophobicContact CB-CB 4.2Å; V48-A102 HydrophobicContact CG2-CB 3.64Å; L99-A102 HydrophobicContact CB-CB 4.24Å; L99-A102 PolarHBondContact O-N 3.44Å; A102-D106 WeakPolarHBondContact CA-OD2 3.29Å; A102-V129 HydrophobicContact CB-CG1 4.45Å; A102-V129 HydrophobicContact CB-CG2 4.39Å | ||
| 103 | R | 95.9 | Very high | 92.9 | Very high | 128 Ų | 128 | 34.1 Ų | 34.1 | 48% | 0.483 | 19% | 0.193 | S | C | . | . | trans | -119.8 | 157.8 | 177.1 | -64.1 | -179.7 | 179.3 | 179.9 | -0.9 | 110.4 | E44 S105 D106 | E44-R103 WeakPolarHBondContact OE1-CA 3.39Å; R103-S105 PolarHBondContact O-N 2.87Å; R103-S105 VanDerWaalsContact O-N 3.16Å; R103-D106 PolarHBondContact N-OD2 2.91Å; R103-D106 WeakPolarHBondContact O-CB 3.37Å; R103-D106 PolarHBondContact O-N 2.88Å | ||
| 104 | L | 94.6 | Very high | 92.9 | Very high | 71 Ų | 71 | 31.2 Ų | 31.2 | 37% | 0.372 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -51.1 | -41.1 | 172.5 | -67.8 | 178 | 0 | 0 | 0 | 112.4 | E44 D106 S107 V129 Y130 E131 | E44-L104 HydrophobicContact CB-CD2 4.4Å; E44-L104 HydrophobicContact CB-CG 4.48Å; E44-L104 PolarHBondContact OE1-N 2.94Å; L104-D106 PolarHBondContact O-N 3.46Å; L104-D106 VanDerWaalsContact O-N 3.12Å; L104-S107 WeakPolarHBondContact O-CB 3.44Å; L104-S107 PolarHBondContact O-N 2.94Å; L104-S107 VanDerWaalsContact O-N 3.15Å; L104-S107 PolarHBondContact O-OG 2.83Å; L104-V129 WeakPolarHBondContact CD2-O 3.4Å; L104-Y130 VanDerWaalsContact CD2-C 3.49Å; L104-E131 HydrophobicContact CD1-CB 4.45Å; L104-E131 HydrophobicContact CD2-CB 4.21Å |
| 105 | S | 92.9 | Very high | 92.7 | Very high | 72 Ų | 72 | 36.9 Ų | 36.9 | 50% | 0.503 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -64.7 | -10.9 | 178.8 | 64.3 | 0 | 0 | 0 | 0 | 114.2 | R75 R103 S107 | R75-S105 PolarHBondContact NH1-O 2.82Å; R75-S105 PolarHBondContact NH2-O 2.86Å; R103-S105 PolarHBondContact O-N 2.87Å; R103-S105 VanDerWaalsContact O-N 3.16Å; S105-S107 VanDerWaalsContact C-N 3.34Å |
| 106 | D | 93.8 | Very high | 92.3 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -83.5 | -10.2 | 177 | -59.7 | -31 | 0 | 0 | 0 | 112 | R89 L99 A102 R103 L104 G108 Y110 L127 V129 | R89-D106 IonicContact CZ-OD1 3.18Å; R89-D106 IonicContact CZ-OD2 3.7Å; R89-D106 IonicContact NH1-OD1 2.76Å; R89-D106 PolarHBondContact NH1-OD1 2.83Å; R89-D106 IonicContact NH1-OD2 2.74Å; R89-D106 PolarHBondContact NH1-OD2 3.01Å; R89-D106 IonicContact NH2-OD1 3.2Å; R89-D106 PolarHBondContact NH2-OD1 2.86Å; R89-D106 IonicContact NH2-OD2 3.75Å; L99-D106 HydrophobicContact CD1-CB 4.29Å; L99-D106 HydrophobicContact CD2-CB 4.48Å; A102-D106 WeakPolarHBondContact CA-OD2 3.29Å; R103-D106 PolarHBondContact N-OD2 2.91Å; R103-D106 WeakPolarHBondContact O-CB 3.37Å; R103-D106 PolarHBondContact O-N 2.88Å; L104-D106 PolarHBondContact O-N 3.46Å; L104-D106 VanDerWaalsContact O-N 3.12Å; D106-G108 PolarHBondContact O-N 3.15Å; D106-Y110 WeakPolarHBondContact O-CE2 3.17Å; D106-Y110 PolarHBondContact O-OH 2.8Å; D106-L127 HydrophobicContact CB-CD2 4.41Å; D106-V129 HydrophobicContact CB-CG2 4.44Å |
| 107 | S | 94.7 | Very high | 91.4 | Very high | 40 Ų | 40 | 46.4 Ų | 46.4 | 28% | 0.28 | 23% | 0.23 | S | C | . | . | trans | -59.7 | 128.2 | 178.5 | -57 | 0 | 0 | 0 | 0 | 112.9 | R75 L104 S105 L127 V129 | R75-S107 PolarHBondContact NH2-O 3.35Å; L104-S107 WeakPolarHBondContact O-CB 3.44Å; L104-S107 PolarHBondContact O-N 2.94Å; L104-S107 VanDerWaalsContact O-N 3.15Å; L104-S107 PolarHBondContact O-OG 2.83Å; S105-S107 VanDerWaalsContact C-N 3.34Å; S107-L127 CarbonylContact C-O 3.6Å; S107-L127 VanDerWaalsContact CA-O 3.23Å; S107-L127 WeakPolarHBondContact CA-O 3.3Å; S107-V129 WeakPolarHBondContact OG-CB 3.33Å; S107-V129 PolarHBondContact OG-N 2.87Å; S107-V129 PolarHBondContact OG-O 2.83Å | ||
| 108 | G | 93.7 | Very high | 90.4 | Very high | 22 Ų | 22 | 52.4 Ų | 52.4 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.2 | -176.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D106 Y110 L127 | D106-G108 PolarHBondContact O-N 3.15Å; G108-Y110 WeakPolarHBondContact O-CD2 3.4Å; G108-L127 PolarHBondContact N-O 2.98Å; G108-L127 PolarHBondContact O-N 2.04Å |
| 109 | K | 94 | Very high | 89.6 | Confident | 80 Ų | 80 | 51.8 Ų | 51.8 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126 | 177.2 | 177.2 | 175.5 | 154.3 | 177.1 | 0 | 110.8 | N76 | N76-K109 PolarHBondContact N-O 3.5Å; N76-K109 WeakPolarHBondContact ND2-CE 3.44Å |
| 110 | Y | 93.6 | Very high | 89.2 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.3 | 174.9 | -68.4 | -96 | 0 | 0 | 0 | 109.4 | L50 I73 S74 R75 L97 D106 G108 S124 I125 L127 | L50-Y110 HydrophobicContact CD1-CD1 4.03Å; L50-Y110 HydrophobicContact CD1-CD2 3.56Å; L50-Y110 HydrophobicContact CD1-CE1 4.25Å; L50-Y110 HydrophobicContact CD1-CE2 3.83Å; L50-Y110 HydrophobicContact CD1-CG 3.67Å; I73-Y110 HydrophobicContact CG2-CD1 4.3Å; S74-Y110 CarbonylContact O-C 3.53Å; S74-Y110 WeakPolarHBondContact O-CA 3.42Å; R75-Y110 HydrophobicContact CB-CD1 4.2Å; R75-Y110 HydrophobicContact CB-CE1 4.15Å; R75-Y110 HydrophobicContact CG-CD1 4.42Å; R75-Y110 HydrophobicContact CG-CE1 4.2Å; L97-Y110 HydrophobicContact CD2-CD1 3.58Å; L97-Y110 HydrophobicContact CD2-CE1 3.38Å; D106-Y110 WeakPolarHBondContact O-CE2 3.17Å; D106-Y110 PolarHBondContact O-OH 2.8Å; G108-Y110 WeakPolarHBondContact O-CD2 3.4Å; Y110-S124 CarbonylContact O-C 3.46Å; Y110-S124 VanDerWaalsContact O-CA 3.23Å; Y110-S124 WeakPolarHBondContact O-CA 3.35Å; Y110-I125 PolarHBondContact N-O 2.97Å; Y110-I125 PolarHBondContact O-N 3.03Å; Y110-L127 HydrophobicContact CD2-CB 4.23Å; Y110-L127 HydrophobicContact CE2-CB 3.92Å; Y110-L127 HydrophobicContact CE2-CD2 4.2Å |
| 111 | T | 92.8 | Very high | 88.9 | Confident | 19 Ų | 19 | 52.1 Ų | 52.1 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 115.6 | -179.2 | -54 | 0 | 0 | 0 | 0 | 108.9 | I73 S74 N76 T122 G123 | I73-T111 WeakPolarHBondContact CA-O 3.05Å; S74-T111 PolarHBondContact N-O 2.84Å; S74-T111 PolarHBondContact O-N 3.28Å; S74-T111 PolarHBondContact OG-O 2.82Å; N76-T111 PolarHBondContact OD1-OG1 2.95Å; T111-T122 HydrophobicContact CG2-CG2 4.24Å; T111-G123 CarbonylContact C-O 3.47Å; T111-G123 WeakPolarHBondContact CA-O 3.16Å |
| 112 | C | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 121.3 | 170.9 | -171 | 0 | 0 | 0 | 0 | 108.9 | F52 F55 I73 T122 G123 | F52-C112 HydrophobicContact CD1-CB 3.82Å; F52-C112 HydrophobicContact CD2-CB 3.77Å; F52-C112 HydrophobicContact CE1-CB 3.71Å; F52-C112 HydrophobicContact CE2-CB 3.71Å; F52-C112 HydrophobicContact CG-CB 3.85Å; F52-C112 HydrophobicContact CZ-CB 3.66Å; F55-C112 HydrophobicContact CD1-CB 4.38Å; F55-C112 HydrophobicContact CE1-CB 4.17Å; I73-C112 HydrophobicContact CG1-CB 4.07Å; C112-T122 CarbonylContact O-C 3.52Å; C112-T122 VanDerWaalsContact O-CA 3.28Å; C112-T122 WeakPolarHBondContact O-CA 3.42Å; C112-G123 PolarHBondContact N-O 2.86Å; C112-G123 PolarHBondContact O-N 3.36Å |
| 113 | T | 90.6 | Very high | 88.5 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 17% | 0.166 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.6 | 179.1 | -51.6 | 0 | 0 | 0 | 0 | 108.7 | Y71 V72 R115 T122 | Y71-T113 CarbonylContact C-O 3.51Å; Y71-T113 WeakPolarHBondContact CA-O 3.08Å; V72-T113 PolarHBondContact N-O 3.4Å; V72-T113 PolarHBondContact O-N 2.78Å; T113-R115 HydrophobicContact CG2-CB 4.18Å; T113-T122 HydrophobicContact CG2-CG2 3.93Å |
| 114 | Y | 88.3 | Confident | 88.3 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 110.1 | 168.3 | -173.4 | -108.8 | 0 | 0 | 0 | 108.2 | L59 I64 A65 A69 Y71 F119 V121 | L59-Y114 HydrophobicContact CD1-CD1 3.82Å; L59-Y114 HydrophobicContact CD1-CD2 4.29Å; L59-Y114 HydrophobicContact CD1-CE1 4.4Å; L59-Y114 HydrophobicContact CD1-CG 3.73Å; L59-Y114 HydrophobicContact CD2-CD1 3.82Å; L59-Y114 HydrophobicContact CD2-CG 4.37Å; L59-Y114 HydrophobicContact CG-CD1 4.45Å; I64-Y114 VanDerWaalsContact O-CE1 3.25Å; I64-Y114 WeakPolarHBondContact O-CE1 3.46Å; A65-Y114 WeakPolarHBondContact CA-OH 3.4Å; A69-Y114 HydrophobicContact CB-CD1 4.34Å; A69-Y114 HydrophobicContact CB-CD2 4.28Å; A69-Y114 HydrophobicContact CB-CE1 3.66Å; A69-Y114 HydrophobicContact CB-CE2 3.61Å; A69-Y114 WeakPolarHBondContact CB-OH 3.48Å; A69-Y114 WeakPolarHBondContact O-CE2 3.47Å; Y71-Y114 AromaticContact CD1-CD2 3.59Å; Y71-Y114 HydrophobicContact CD1-CD2 3.59Å; Y71-Y114 HydrophobicContact CD1-CE2 4.42Å; Y71-Y114 HydrophobicContact CD1-CG 4.31Å; Y71-Y114 HydrophobicContact CD2-CD2 4.22Å; Y71-Y114 HydrophobicContact CD2-CE2 4.35Å; Y71-Y114 AromaticContact CE1-CD2 3.32Å; Y71-Y114 HydrophobicContact CE1-CD2 3.32Å; Y71-Y114 AromaticContact CE1-CE2 3.93Å; Y71-Y114 HydrophobicContact CE1-CE2 3.93Å; Y71-Y114 AromaticContact CE1-CG 3.97Å; Y71-Y114 HydrophobicContact CE1-CG 3.97Å; Y71-Y114 HydrophobicContact CE2-CD2 4.01Å; Y71-Y114 AromaticContact CE2-CE2 3.87Å; Y71-Y114 HydrophobicContact CE2-CE2 3.87Å; Y71-Y114 HydrophobicContact CG-CD2 4.03Å; Y71-Y114 AromaticContact CZ-CD2 3.56Å; Y71-Y114 AromaticContact CZ-CE2 3.63Å; Y114-F119 HydrophobicContact CD1-CD2 4.27Å; Y114-F119 AromaticContact CD1-CE2 3.62Å; Y114-F119 HydrophobicContact CD1-CE2 3.62Å; Y114-F119 HydrophobicContact CE1-CD2 4.4Å; Y114-F119 AromaticContact CE1-CE2 3.38Å; Y114-F119 HydrophobicContact CE1-CE2 3.38Å; Y114-F119 AromaticContact CE1-CZ 3.96Å; Y114-F119 HydrophobicContact CE1-CZ 3.96Å; Y114-V121 PolarHBondContact N-O 2.98Å; Y114-V121 PolarHBondContact O-N 3.27Å |
| 115 | R | 83.6 | Confident | 88.3 | Confident | 165 Ų | 165 | 42 Ų | 42 | 62% | 0.623 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.8 | -171.9 | -172.8 | 174.3 | -176 | 179.7 | 2.9 | 111.4 | Q70 T113 F119 C120 | Q70-R115 PolarHBondContact N-O 2.79Å; Q70-R115 PolarHBondContact O-N 3.31Å; T113-R115 HydrophobicContact CG2-CB 4.18Å; R115-F119 WeakPolarHBondContact CA-O 3.46Å; R115-C120 HydrophobicContact CG-CB 4.27Å |
| 116 | N | 78.1 | Confident | 88.4 | Confident | 41 Ų | 41 | 40.3 Ų | 40.3 | 22% | 0.219 | 21% | 0.209 | C | C | . | . | trans | -124.8 | -177.8 | 165.5 | -153.5 | -12.2 | 0 | 0 | 0 | 109.5 | A69 T118 F119 | A69-N116 HydrophobicContact CB-CB 3.91Å; N116-T118 PolarHBondContact O-N 3Å; N116-F119 HydrophobicContact CB-CD1 3.81Å; N116-F119 HydrophobicContact CB-CD2 3.97Å; N116-F119 HydrophobicContact CB-CE1 3.45Å; N116-F119 VanDerWaalsContact CB-CE1 3.45Å; N116-F119 HydrophobicContact CB-CE2 3.58Å; N116-F119 HydrophobicContact CB-CG 4.08Å; N116-F119 HydrophobicContact CB-CZ 3.34Å; N116-F119 PolarHBondContact N-O 2.82Å; N116-F119 WeakPolarHBondContact ND2-CE1 3.32Å | ||
| 117 | E | 73.2 | Confident | 88.5 | Confident | 191 Ų | 191 | 40 Ų | 40 | 89% | 0.893 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -58.6 | -29.7 | 175 | -62.6 | -172.7 | 166.9 | 0 | 0 | 112.9 | ||
| 118 | T | 73.1 | Confident | 88.5 | Confident | 126 Ų | 126 | 41 Ų | 41 | 77% | 0.773 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -113.6 | -20.8 | -171.9 | 48.3 | 0 | 0 | 0 | 0 | 115.1 | N116 | N116-T118 PolarHBondContact O-N 3Š|
| 119 | F | 76.8 | Confident | 88.6 | Confident | 34 Ų | 34 | 40.4 Ų | 40.4 | 15% | 0.149 | 20% | 0.2 | C | C | . | . | trans | -135.1 | 146.2 | -177.5 | 58.4 | -99.2 | 0 | 0 | 0 | 111.5 | I64 P66 A69 Y114 R115 N116 | I64-F119 HydrophobicContact CG2-CD2 3.63Å; I64-F119 HydrophobicContact CG2-CE2 3.9Å; I64-F119 HydrophobicContact CG2-CG 4.06Å; I64-F119 HydrophobicContact CG2-CZ 4.48Å; I64-F119 WeakPolarHBondContact O-CE2 3.37Å; I64-F119 WeakPolarHBondContact O-CZ 3.27Å; P66-F119 HydrophobicContact CG-CE1 4.03Å; P66-F119 HydrophobicContact CG-CZ 4.19Å; A69-F119 HydrophobicContact CB-CE2 3.84Å; A69-F119 HydrophobicContact CB-CZ 3.78Å; Y114-F119 HydrophobicContact CD1-CD2 4.27Å; Y114-F119 AromaticContact CD1-CE2 3.62Å; Y114-F119 HydrophobicContact CD1-CE2 3.62Å; Y114-F119 HydrophobicContact CE1-CD2 4.4Å; Y114-F119 AromaticContact CE1-CE2 3.38Å; Y114-F119 HydrophobicContact CE1-CE2 3.38Å; Y114-F119 AromaticContact CE1-CZ 3.96Å; Y114-F119 HydrophobicContact CE1-CZ 3.96Å; R115-F119 WeakPolarHBondContact CA-O 3.46Å; N116-F119 HydrophobicContact CB-CD1 3.81Å; N116-F119 HydrophobicContact CB-CD2 3.97Å; N116-F119 HydrophobicContact CB-CE1 3.45Å; N116-F119 VanDerWaalsContact CB-CE1 3.45Å; N116-F119 HydrophobicContact CB-CE2 3.58Å; N116-F119 HydrophobicContact CB-CG 4.08Å; N116-F119 HydrophobicContact CB-CZ 3.34Å; N116-F119 PolarHBondContact N-O 2.82Å; N116-F119 WeakPolarHBondContact ND2-CE1 3.32Å | ||
| 120 | C | 86.1 | Confident | 88.6 | Confident | 12 Ų | 12 | 39.2 Ų | 39.2 | 8% | 0.081 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 125.6 | 172.9 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | C31 Y32 R115 | C31-C120 HydrophobicContact CB-CB 3.74Å; C31-C120 WeakPolarHBondContact CB-SG 3.29Å; C31-C120 WeakPolarHBondContact SG-CB 3.17Å; C31-C120 CovalentContact SG-SG 2.03Å; C31-C120 PolarHBondContact SG-SG 2.89Å; Y32-C120 WeakPolarHBondContact CD2-O 3.49Å; Y32-C120 PolarHBondContact N-O 3.1Å; R115-C120 HydrophobicContact CG-CB 4.27Å |
| 121 | V | 88.2 | Confident | 88.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.3 | 174.8 | -167 | 0 | 0 | 0 | 0 | 109 | L25 Y32 F55 L59 I64 Y114 | L25-V121 HydrophobicContact CD1-CG1 4.11Å; Y32-V121 CarbonylContact O-C 3.47Å; Y32-V121 WeakPolarHBondContact O-CA 2.95Å; F55-V121 HydrophobicContact CD2-CG1 4.41Å; F55-V121 HydrophobicContact CE2-CB 4.15Å; F55-V121 HydrophobicContact CE2-CG1 3.9Å; F55-V121 WeakPolarHBondContact CE2-O 3.47Å; L59-V121 HydrophobicContact CD2-CB 3.81Å; L59-V121 HydrophobicContact CD2-CG1 4.04Å; L59-V121 HydrophobicContact CD2-CG2 3.89Å; I64-V121 HydrophobicContact CD1-CG2 4.35Å; I64-V121 HydrophobicContact CG2-CG2 3.94Å; Y114-V121 PolarHBondContact N-O 2.98Å; Y114-V121 PolarHBondContact O-N 3.27Å |
| 122 | T | 91.3 | Very high | 88.5 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136.2 | 179.8 | 56.9 | 0 | 0 | 0 | 0 | 111.3 | C31 Y32 Q33 A34 T111 C112 T113 | C31-T122 HydrophobicContact CB-CG2 3.96Å; Y32-T122 PolarHBondContact O-N 2.94Å; Y32-T122 PolarHBondContact O-OG1 3.01Å; Q33-T122 WeakPolarHBondContact CA-O 3.3Å; A34-T122 PolarHBondContact N-O 3.36Å; T111-T122 HydrophobicContact CG2-CG2 4.24Å; C112-T122 CarbonylContact O-C 3.52Å; C112-T122 VanDerWaalsContact O-CA 3.28Å; C112-T122 WeakPolarHBondContact O-CA 3.42Å; T113-T122 HydrophobicContact CG2-CG2 3.93Å |
| 123 | G | 91.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 152.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | F55 T111 C112 | F55-G123 VanDerWaalsContact CD2-N 3.27Å; T111-G123 CarbonylContact C-O 3.47Å; T111-G123 WeakPolarHBondContact CA-O 3.16Å; C112-G123 PolarHBondContact N-O 2.86Å; C112-G123 PolarHBondContact O-N 3.36Å |
| 124 | S | 92.6 | Very high | 87.9 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.2 | -179.5 | 64.5 | 0 | 0 | 0 | 0 | 112.7 | P36 E37 Y110 | P36-S124 WeakPolarHBondContact CA-O 3.25Å; E37-S124 PolarHBondContact N-O 2.76Å; Y110-S124 CarbonylContact O-C 3.46Å; Y110-S124 VanDerWaalsContact O-CA 3.23Å; Y110-S124 WeakPolarHBondContact O-CA 3.35Å |
| 125 | I | 94 | Very high | 87.7 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 140.5 | 177.4 | -167.4 | 162.9 | 0 | 0 | 0 | 109.9 | E37 I40 L50 F52 Y110 | E37-I125 HydrophobicContact CB-CB 3.76Å; E37-I125 HydrophobicContact CB-CD1 3.74Å; E37-I125 HydrophobicContact CB-CG1 3.65Å; E37-I125 HydrophobicContact CG-CB 4.01Å; E37-I125 HydrophobicContact CG-CD1 4.17Å; E37-I125 HydrophobicContact CG-CG1 4.31Å; I40-I125 HydrophobicContact CD1-CD1 3.39Å; I40-I125 HydrophobicContact CD1-CG1 4.31Å; I40-I125 HydrophobicContact CG1-CD1 3.87Å; I40-I125 HydrophobicContact CG1-CG1 4.35Å; L50-I125 HydrophobicContact CD1-CG2 4.37Å; F52-I125 HydrophobicContact CD1-CB 4.13Å; F52-I125 HydrophobicContact CD1-CG2 4.06Å; F52-I125 HydrophobicContact CE1-CB 3.76Å; F52-I125 HydrophobicContact CE1-CG2 3.31Å; F52-I125 HydrophobicContact CE2-CG2 4.11Å; F52-I125 HydrophobicContact CZ-CB 4.27Å; F52-I125 HydrophobicContact CZ-CG2 3.33Å; Y110-I125 PolarHBondContact N-O 2.97Å; Y110-I125 PolarHBondContact O-N 3.03Å |
| 126 | T | 95 | Very high | 87.9 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.8 | 174.5 | -37.2 | 0 | 0 | 0 | 0 | 110.1 | D39 I40 H128 | D39-T126 WeakPolarHBondContact CA-O 3.4Å; D39-T126 WeakPolarHBondContact OD1-CB 3.47Å; D39-T126 PolarHBondContact OD1-OG1 2.96Å; I40-T126 PolarHBondContact N-O 2.93Å; T126-H128 WeakPolarHBondContact CG2-NE2 3.32Å |
| 127 | L | 95.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 132.8 | 171.8 | 175.3 | 64 | 0 | 0 | 0 | 109.7 | I40 R42 V48 L50 L99 D106 S107 G108 Y110 V129 | I40-L127 HydrophobicContact CB-CD1 4.28Å; I40-L127 HydrophobicContact CG2-CD1 3.88Å; I40-L127 CarbonylContact O-C 3.58Å; I40-L127 WeakPolarHBondContact O-CA 3.48Å; R42-L127 HydrophobicContact CB-CD1 4.39Å; R42-L127 HydrophobicContact CG-CD1 4.12Å; V48-L127 HydrophobicContact CG1-CD1 4.11Å; V48-L127 HydrophobicContact CG1-CD2 4.44Å; L50-L127 HydrophobicContact CD1-CB 4.49Å; L50-L127 HydrophobicContact CD1-CD2 4.41Å; L50-L127 HydrophobicContact CD2-CB 4.23Å; L50-L127 HydrophobicContact CD2-CD1 4.2Å; L50-L127 HydrophobicContact CD2-CD2 4.27Å; L50-L127 HydrophobicContact CD2-CG 4.46Å; L99-L127 HydrophobicContact CD1-CD2 3.39Å; D106-L127 HydrophobicContact CB-CD2 4.41Å; S107-L127 CarbonylContact C-O 3.6Å; S107-L127 VanDerWaalsContact CA-O 3.23Å; S107-L127 WeakPolarHBondContact CA-O 3.3Å; G108-L127 PolarHBondContact N-O 2.98Å; G108-L127 PolarHBondContact O-N 2.04Å; Y110-L127 HydrophobicContact CD2-CB 4.23Å; Y110-L127 HydrophobicContact CE2-CB 3.92Å; Y110-L127 HydrophobicContact CE2-CD2 4.2Å; L127-V129 HydrophobicContact CD1-CG2 4.19Å; L127-V129 HydrophobicContact CD2-CG2 3.82Å; L127-V129 HydrophobicContact CG-CG2 3.81Å |
| 128 | H | 95.4 | Very high | 88.5 | Confident | 61 Ų | 61 | 43.3 Ų | 43.3 | 28% | 0.282 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 119.1 | 170 | -63.2 | -86.9 | 0 | 0 | 0 | 109.1 | D39 I40 F41 R42 T126 Y130 | D39-H128 IonicContact OD2-NE2 3.65Å; I40-H128 PolarHBondContact O-N 3.04Å; F41-H128 CarbonylContact C-O 3.53Å; F41-H128 WeakPolarHBondContact CA-O 3.32Å; F41-H128 HydrophobicContact CD1-CB 3.63Å; F41-H128 AromaticContact CD1-CD2 3.86Å; F41-H128 AromaticContact CD1-CG 3.9Å; F41-H128 HydrophobicContact CE1-CB 4.09Å; F41-H128 AromaticContact CE1-CD2 3.48Å; F41-H128 VanDerWaalsContact CE1-CD2 3.48Å; F41-H128 WeakPolarHBondContact CE1-CD2 3.36Å; F41-H128 AromaticContact CE1-CG 3.83Å; R42-H128 PolarHBondContact N-O 2.96Å; T126-H128 WeakPolarHBondContact CG2-NE2 3.32Å; H128-Y130 HydrophobicContact CB-CE2 3.93Å |
| 129 | V | 95.7 | Very high | 88.9 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.5 | 177.3 | -170.8 | 0 | 0 | 0 | 0 | 109.1 | R42 E44 A102 L104 D106 S107 L127 | R42-V129 CarbonylContact O-C 3.59Å; R42-V129 WeakPolarHBondContact O-CA 3.35Å; E44-V129 HydrophobicContact CB-CG1 4.11Å; A102-V129 HydrophobicContact CB-CG1 4.45Å; A102-V129 HydrophobicContact CB-CG2 4.39Å; L104-V129 WeakPolarHBondContact CD2-O 3.4Å; D106-V129 HydrophobicContact CB-CG2 4.44Å; S107-V129 WeakPolarHBondContact OG-CB 3.33Å; S107-V129 PolarHBondContact OG-N 2.87Å; S107-V129 PolarHBondContact OG-O 2.83Å; L127-V129 HydrophobicContact CD1-CG2 4.19Å; L127-V129 HydrophobicContact CD2-CG2 3.82Å; L127-V129 HydrophobicContact CG-CG2 3.81Å |
| 130 | Y | 94.8 | Very high | 89.4 | Confident | 55 Ų | 55 | 37.7 Ų | 37.7 | 22% | 0.216 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 152.6 | 178.5 | -67.3 | -90.1 | 0 | 0 | 0 | 111.6 | F41 R42 V43 E44 L104 H128 S132 A135 D136 L140 | F41-Y130 HydrophobicContact CB-CE2 4.42Å; F41-Y130 AromaticContact CD1-CE2 3.99Å; F41-Y130 HydrophobicContact CD1-CE2 3.99Å; R42-Y130 PolarHBondContact O-N 2.87Å; V43-Y130 CarbonylContact C-O 3.52Å; V43-Y130 VanDerWaalsContact CA-O 3.29Å; V43-Y130 WeakPolarHBondContact CA-O 3.14Å; E44-Y130 PolarHBondContact N-O 2.83Å; L104-Y130 VanDerWaalsContact CD2-C 3.49Å; H128-Y130 HydrophobicContact CB-CE2 3.93Å; Y130-S132 VanDerWaalsContact C-N 3.3Å; Y130-S132 PolarHBondContact O-N 3.42Å; Y130-A135 HydrophobicContact CD1-CB 3.78Å; Y130-A135 HydrophobicContact CG-CB 4.35Å; Y130-D136 HydrophobicContact CD1-CB 4.34Å; Y130-D136 HydrophobicContact CE1-CB 3.81Å; Y130-L140 HydrophobicContact CD2-CD1 4.09Å; Y130-L140 HydrophobicContact CD2-CD2 3.98Å; Y130-L140 HydrophobicContact CD2-CG 4.11Å; Y130-L140 HydrophobicContact CG-CD1 4.23Å |
| 131 | E | 93.4 | Very high | 89.4 | Confident | 147 Ų | 147 | 37.6 Ų | 37.6 | 69% | 0.687 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -65.6 | -38.1 | 179.6 | -178.4 | 179.4 | -155.5 | 0 | 0 | 111.3 | L104 | L104-E131 HydrophobicContact CD1-CB 4.45Å; L104-E131 HydrophobicContact CD2-CB 4.21Å |
| 132 | S | 90.1 | Very high | 89.1 | Confident | 46 Ų | 46 | 40.8 Ų | 40.8 | 32% | 0.322 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -154.1 | 164.1 | 179.8 | 64.5 | 0 | 0 | 0 | 0 | 111.4 | Y130 S134 A135 | Y130-S132 VanDerWaalsContact C-N 3.3Å; Y130-S132 PolarHBondContact O-N 3.42Å; S132-S134 PolarHBondContact O-N 3.13Å; S132-S134 PolarHBondContact OG-OG 2.95Å; S132-S134 VanDerWaalsContact OG-OG 3.05Å; S132-A135 VanDerWaalsContact O-CB 3.28Å; S132-A135 WeakPolarHBondContact O-CB 3.41Å; S132-A135 PolarHBondContact O-N 2.95Å; S132-A135 VanDerWaalsContact O-N 3.11Å |
| 133 | Y | 84.1 | Confident | 88.7 | Confident | 33 Ų | 33 | 44.5 Ų | 44.5 | 13% | 0.129 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.4 | -179.3 | -162.7 | -90.4 | 0 | 0 | 0 | 113.6 | A135 V137 L140 S141 F175 V199 A218 | Y133-A135 PolarHBondContact O-N 2.95Å; Y133-V137 HydrophobicContact CD1-CG2 4.22Å; Y133-V137 HydrophobicContact CE1-CB 4.36Å; Y133-V137 HydrophobicContact CE1-CG1 4.05Å; Y133-V137 HydrophobicContact CE1-CG2 4.14Å; Y133-V137 WeakPolarHBondContact O-CG2 3.5Å; Y133-L140 HydrophobicContact CD2-CB 4.01Å; Y133-L140 HydrophobicContact CD2-CD1 4.19Å; Y133-L140 HydrophobicContact CE2-CB 3.56Å; Y133-L140 WeakPolarHBondContact CE2-O 3.41Å; Y133-L140 PolarHBondContact OH-O 2.92Å; Y133-S141 PolarHBondContact OH-OG 3.24Å; Y133-F175 AromaticContact CD1-CE1 3.95Å; Y133-F175 HydrophobicContact CD1-CE1 3.95Å; Y133-F175 HydrophobicContact CD1-CZ 4.35Å; Y133-V199 HydrophobicContact CE1-CG1 3.62Å; Y133-A218 HydrophobicContact CE1-CB 4.46Å; Y133-A218 HydrophobicContact CE2-CB 3.57Å; Y133-A218 VanDerWaalsContact CZ-CB 3.42Å; Y133-A218 WeakPolarHBondContact OH-CB 3.42Å |
| 134 | S | 84.5 | Confident | 88.4 | Confident | 80 Ų | 80 | 47.9 Ų | 47.9 | 56% | 0.559 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -14.3 | 178.2 | 48.3 | 0 | 0 | 0 | 0 | 113.9 | S132 | S132-S134 PolarHBondContact O-N 3.13Å; S132-S134 PolarHBondContact OG-OG 2.95Å; S132-S134 VanDerWaalsContact OG-OG 3.05Å |
| 135 | A | 86.1 | Confident | 87.9 | Confident | 61 Ų | 61 | 50 Ų | 50 | 50% | 0.504 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -65.9 | -42.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y130 S132 Y133 | Y130-A135 HydrophobicContact CD1-CB 3.78Å; Y130-A135 HydrophobicContact CG-CB 4.35Å; S132-A135 VanDerWaalsContact O-CB 3.28Å; S132-A135 WeakPolarHBondContact O-CB 3.41Å; S132-A135 PolarHBondContact O-N 2.95Å; S132-A135 VanDerWaalsContact O-N 3.11Å; Y133-A135 PolarHBondContact O-N 2.95Å |
| 136 | D | 85.9 | Confident | 87.2 | Confident | 57 Ų | 57 | 49.9 Ų | 49.9 | 31% | 0.305 | 28% | 0.276 | S | S | . | . | trans | -152.1 | 84.9 | 172.4 | -167.1 | -23.4 | 0 | 0 | 0 | 110.7 | Y130 K138 A139 L140 | Y130-D136 HydrophobicContact CD1-CB 4.34Å; Y130-D136 HydrophobicContact CE1-CB 3.81Å; D136-K138 PolarHBondContact O-N 2.88Å; D136-K138 PolarHBondContact OD1-N 2.8Å; D136-K138 VanDerWaalsContact OD1-N 3.12Å; D136-A139 HydrophobicContact CB-CB 4.06Å; D136-A139 VanDerWaalsContact CG-CB 3.41Å; D136-A139 PolarHBondContact O-N 2.96Å; D136-A139 PolarHBondContact OD1-N 2.8Å; D136-A139 WeakPolarHBondContact OD2-CB 3.33Å; D136-L140 VanDerWaalsContact O-CB 3.32Å; D136-L140 WeakPolarHBondContact O-CB 3.49Å; D136-L140 WeakPolarHBondContact O-CD1 3.4Å; D136-L140 WeakPolarHBondContact O-CG 3.07Å; D136-L140 PolarHBondContact O-N 2.79Å | ||
| 137 | V | 83.7 | Confident | 86.6 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -34.5 | 179.4 | 172 | 0 | 0 | 0 | 0 | 111.4 | Y133 S141 F175 V199 | Y133-V137 HydrophobicContact CD1-CG2 4.22Å; Y133-V137 HydrophobicContact CE1-CB 4.36Å; Y133-V137 HydrophobicContact CE1-CG1 4.05Å; Y133-V137 HydrophobicContact CE1-CG2 4.14Å; Y133-V137 WeakPolarHBondContact O-CG2 3.5Å; V137-S141 WeakPolarHBondContact O-CB 3.43Å; V137-S141 PolarHBondContact O-N 2.75Å; V137-S141 VanDerWaalsContact O-N 3.08Å; V137-S141 PolarHBondContact O-OG 2.8Å; V137-F175 HydrophobicContact CG2-CZ 4.18Å; V137-V199 HydrophobicContact CG1-CG2 3.7Å |
| 138 | K | 80.1 | Confident | 86.3 | Confident | 80 Ų | 80 | 57 Ų | 57 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -43.3 | -174.5 | -64 | -173.5 | -172.4 | -169.4 | 0 | 111.6 | D136 L140 S141 D293 | D136-K138 PolarHBondContact O-N 2.88Å; D136-K138 PolarHBondContact OD1-N 2.8Å; D136-K138 VanDerWaalsContact OD1-N 3.12Å; K138-L140 VanDerWaalsContact C-N 3.3Å; K138-S141 PolarHBondContact O-N 3.09Å; K138-D293 VanDerWaalsContact NZ-CA 3.28Å; K138-D293 PolarHBondContact NZ-O 2.8Å; K138-D293 IonicContact NZ-OD1 2.6Å; K138-D293 PolarHBondContact NZ-OD1 2.89Å; K138-D293 IonicContact NZ-OD2 3.3Å |
| 139 | A | 83.4 | Confident | 85.9 | Confident | 25 Ų | 25 | 56.3 Ų | 56.3 | 21% | 0.207 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -33.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | F41 D136 | F41-A139 WeakPolarHBondContact CB-O 3.39Å; F41-A139 HydrophobicContact CD1-CB 3.82Å; F41-A139 WeakPolarHBondContact CD2-O 3.42Å; F41-A139 HydrophobicContact CE1-CB 4.13Å; F41-A139 HydrophobicContact CG-CB 4.06Å; F41-A139 WeakPolarHBondContact CG-O 3.22Å; D136-A139 HydrophobicContact CB-CB 4.06Å; D136-A139 VanDerWaalsContact CG-CB 3.41Å; D136-A139 PolarHBondContact O-N 2.96Å; D136-A139 PolarHBondContact OD1-N 2.8Å; D136-A139 WeakPolarHBondContact OD2-CB 3.33Å |
| 140 | L | 86.1 | Confident | 85.5 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 0.1 | -179.9 | -67.7 | 167.6 | 0 | 0 | 0 | 114.1 | F41 V43 Y130 Y133 D136 K138 | F41-L140 HydrophobicContact CB-CD2 3.88Å; V43-L140 HydrophobicContact CG1-CD1 3.83Å; V43-L140 HydrophobicContact CG1-CD2 4.08Å; Y130-L140 HydrophobicContact CD2-CD1 4.09Å; Y130-L140 HydrophobicContact CD2-CD2 3.98Å; Y130-L140 HydrophobicContact CD2-CG 4.11Å; Y130-L140 HydrophobicContact CG-CD1 4.23Å; Y133-L140 HydrophobicContact CD2-CB 4.01Å; Y133-L140 HydrophobicContact CD2-CD1 4.19Å; Y133-L140 HydrophobicContact CE2-CB 3.56Å; Y133-L140 WeakPolarHBondContact CE2-O 3.41Å; Y133-L140 PolarHBondContact OH-O 2.92Å; D136-L140 VanDerWaalsContact O-CB 3.32Å; D136-L140 WeakPolarHBondContact O-CB 3.49Å; D136-L140 WeakPolarHBondContact O-CD1 3.4Å; D136-L140 WeakPolarHBondContact O-CG 3.07Å; D136-L140 PolarHBondContact O-N 2.79Å; K138-L140 VanDerWaalsContact C-N 3.3Å |
| 141 | S | 85.6 | Confident | 85 | Confident | 11 Ų | 11 | 62.7 Ų | 62.7 | 8% | 0.077 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141.8 | 178.3 | -66.5 | 0 | 0 | 0 | 0 | 112.7 | Y133 V137 K138 A218 | Y133-S141 PolarHBondContact OH-OG 3.24Å; V137-S141 WeakPolarHBondContact O-CB 3.43Å; V137-S141 PolarHBondContact O-N 2.75Å; V137-S141 VanDerWaalsContact O-N 3.08Å; V137-S141 PolarHBondContact O-OG 2.8Å; K138-S141 PolarHBondContact O-N 3.09Å; S141-A218 CarbonylContact C-O 3.48Å; S141-A218 WeakPolarHBondContact CA-O 3.48Å |
| 142 | Y | 82 | Confident | 84.7 | Confident | 66 Ų | 66 | 55.9 Ų | 55.9 | 26% | 0.259 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 119.1 | 160.3 | -64.7 | -92.4 | 0 | 0 | 0 | 108.7 | P157 R217 A218 Y219 L220 | Y142-P157 HydrophobicContact CD2-CB 4.38Å; Y142-P157 HydrophobicContact CD2-CG 3.6Å; Y142-P157 HydrophobicContact CE1-CB 4.46Å; Y142-P157 HydrophobicContact CE2-CB 4.07Å; Y142-P157 HydrophobicContact CE2-CG 3.44Å; Y142-P157 VanDerWaalsContact CE2-CG 3.44Å; Y142-P157 HydrophobicContact CG-CG 4.28Å; Y142-R217 HydrophobicContact CE2-CB 4.49Å; Y142-A218 WeakPolarHBondContact CD2-O 3.12Å; Y142-A218 PolarHBondContact N-O 3.28Å; Y142-Y219 HydrophobicContact CG-CE1 4.32Å; Y142-Y219 CarbonylContact O-C 3.6Å; Y142-Y219 VanDerWaalsContact O-CA 3.26Å; Y142-Y219 WeakPolarHBondContact O-CA 3.41Å; Y142-L220 PolarHBondContact O-N 2.93Å |
| 143 | P | 84.1 | Confident | 84.7 | Confident | 98 Ų | 98 | 58 Ų | 58 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 134.4 | 179.9 | 28.8 | -33.6 | 0 | 0 | 0 | 110.4 | ||
| 144 | W | 83.6 | Confident | 84.9 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 27% | 0.269 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 129.5 | 175.5 | -168.9 | -74.1 | 0 | 0 | 0 | 110.2 | V152 F154 Y219 L220 L221 H222 | W144-V152 HydrophobicContact CZ2-CG1 4.21Å; W144-F154 HydrophobicContact CB-CE1 4.09Å; W144-F154 HydrophobicContact CD2-CD1 4.35Å; W144-F154 AromaticContact CD2-CE1 3.62Å; W144-F154 HydrophobicContact CD2-CE1 3.62Å; W144-F154 HydrophobicContact CE3-CD1 4.34Å; W144-F154 AromaticContact CE3-CE1 3.99Å; W144-F154 HydrophobicContact CE3-CE1 3.99Å; W144-F154 AromaticContact CG-CE1 3.67Å; W144-F154 HydrophobicContact CG-CE1 3.67Å; W144-F154 HydrophobicContact CG-CZ 4.23Å; W144-Y219 HydrophobicContact CB-CD1 4.39Å; W144-Y219 HydrophobicContact CE3-CD1 4.16Å; W144-Y219 AromaticContact CE3-CE1 3.99Å; W144-Y219 HydrophobicContact CE3-CE1 3.99Å; W144-Y219 HydrophobicContact CZ3-CE1 4.45Å; W144-L220 PolarHBondContact N-O 2.76Å; W144-L221 HydrophobicContact CB-CD1 4.36Å; W144-L221 VanDerWaalsContact CD1-CD1 3.48Å; W144-L221 HydrophobicContact CG-CD1 4.22Å; W144-L221 CarbonylContact O-C 3.6Å; W144-L221 WeakPolarHBondContact O-CA 3.18Å; W144-H222 PolarHBondContact O-N 2.86Å |
| 145 | S | 83 | Confident | 85.1 | Confident | 56 Ų | 56 | 57.7 Ų | 57.7 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133 | 174.8 | -69.5 | 0 | 0 | 0 | 0 | 110.1 | H222 | S145-H222 WeakPolarHBondContact CA-O 3.21Å |
| 146 | A | 80 | Confident | 85.2 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 150.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E150 V152 V192 L221 H222 V223 E224 | A146-E150 WeakPolarHBondContact CA-OE2 3.42Å; A146-V152 HydrophobicContact CB-CG2 3.53Å; A146-V192 HydrophobicContact CB-CG1 4.28Å; A146-V192 HydrophobicContact CB-CG2 4.3Å; A146-L221 HydrophobicContact CB-CD1 3.88Å; A146-H222 PolarHBondContact N-O 2.81Å; A146-V223 CarbonylContact O-C 3.57Å; A146-V223 VanDerWaalsContact O-CA 3.3Å; A146-V223 WeakPolarHBondContact O-CA 3.4Å; A146-E224 PolarHBondContact O-N 2.84Å |
| 147 | K | 82.1 | Confident | 85.2 | Confident | 135 Ų | 135 | 53.7 Ų | 53.7 | 59% | 0.587 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 154.2 | 175.3 | -66.7 | 179.2 | -176.9 | 175 | 0 | 111.7 | G149 E150 E224 | K147-G149 PolarHBondContact O-N 2.97Å; K147-E150 PolarHBondContact N-OE2 2.79Å; K147-E150 WeakPolarHBondContact O-CB 3.28Å; K147-E150 PolarHBondContact O-N 2.82Å; K147-E224 CarbonylContact C-O 3.54Å; K147-E224 VanDerWaalsContact CA-O 3.3Å; K147-E224 WeakPolarHBondContact CA-O 3.43Å |
| 148 | V | 88.3 | Confident | 85.2 | Confident | 48 Ų | 48 | 54.5 Ų | 54.5 | 29% | 0.291 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 128.9 | 170.9 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | V192 L194 V223 E224 | V148-V192 CarbonylContact C-O 3.53Å; V148-V192 VanDerWaalsContact CA-O 3.29Å; V148-V192 WeakPolarHBondContact CA-O 3.13Å; V148-L194 HydrophobicContact CG2-CD2 4.31Å; V148-L194 HydrophobicContact CG2-CG 4.15Å; V148-V223 HydrophobicContact CG2-CG1 3.89Å; V148-E224 PolarHBondContact N-O 2.85Å |
| 149 | G | 86.9 | Confident | 85.3 | Confident | 48 Ų | 48 | 52.3 Ų | 52.3 | 50% | 0.495 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -8.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | K147 V192 | K147-G149 PolarHBondContact O-N 2.97Å; G149-V192 PolarHBondContact N-O 3.46Å |
| 150 | E | 87.5 | Confident | 85.3 | Confident | 83 Ų | 83 | 55.2 Ų | 55.2 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | trans | -69.8 | 153.6 | 176.3 | -167.1 | 172.7 | 169.7 | 0 | 0 | 111.7 | A146 K147 A191 V192 | A146-E150 WeakPolarHBondContact CA-OE2 3.42Å; K147-E150 PolarHBondContact N-OE2 2.79Å; K147-E150 WeakPolarHBondContact O-CB 3.28Å; K147-E150 PolarHBondContact O-N 2.82Å; E150-A191 WeakPolarHBondContact O-CA 3.43Å; E150-A191 PolarHBondContact O-N 2.8Å; E150-V192 VanDerWaalsContact O-CG2 3.28Å; E150-V192 WeakPolarHBondContact O-CG2 3.39Å; E150-V192 PolarHBondContact O-N 2.81Å | ||
| 151 | N | 84.8 | Confident | 85.2 | Confident | 116 Ų | 116 | 60.5 Ų | 60.5 | 62% | 0.62 | 34% | 0.342 | S | S | * | . | trans | -100.1 | 117.9 | 172.1 | -69 | -24.1 | 0 | 0 | 0 | 109 | P190 A191 | N151-P190 VanDerWaalsContact OD1-CA 3.29Å; N151-P190 WeakPolarHBondContact OD1-CA 3.24Å; N151-A191 PolarHBondContact OD1-N 3.16Å | ||
| 152 | V | 87.5 | Confident | 85.2 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 136.7 | 179.4 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | W144 A146 F154 T188 I189 V192 | W144-V152 HydrophobicContact CZ2-CG1 4.21Å; A146-V152 HydrophobicContact CB-CG2 3.53Å; V152-F154 HydrophobicContact CG1-CD1 4.05Å; V152-F154 HydrophobicContact CG1-CD2 4.27Å; V152-F154 HydrophobicContact CG1-CE1 3.65Å; V152-F154 HydrophobicContact CG1-CE2 3.92Å; V152-F154 HydrophobicContact CG1-CG 4.34Å; V152-F154 HydrophobicContact CG1-CZ 3.59Å; V152-T188 CarbonylContact O-C 3.56Å; V152-T188 WeakPolarHBondContact O-CA 3.4Å; V152-I189 HydrophobicContact CB-CB 4.4Å; V152-I189 PolarHBondContact N-O 2.94Å; V152-I189 PolarHBondContact O-N 2.88Å; V152-V192 HydrophobicContact CB-CG2 4.18Å; V152-V192 HydrophobicContact CG2-CG2 3.64Å |
| 153 | E | 90.4 | Very high | 84.4 | Confident | 90 Ų | 90 | 65.6 Ų | 65.6 | 42% | 0.421 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 121.4 | 171.4 | -175.6 | 170.5 | -170 | 0 | 0 | 109.9 | H155 T186 L187 | E153-H155 IonicContact OE1-CE1 2.79Å; E153-T186 WeakPolarHBondContact OE1-CB 3.29Å; E153-T186 PolarHBondContact OE1-OG1 3.31Å; E153-L187 CarbonylContact C-O 3.56Å; E153-L187 WeakPolarHBondContact CA-O 3.37Å |
| 154 | F | 87.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.1 | 176.4 | -64.3 | -53.9 | 0 | 0 | 0 | 111.3 | W144 V152 W171 T186 L187 I189 Y200 Y219 L221 | W144-F154 HydrophobicContact CB-CE1 4.09Å; W144-F154 HydrophobicContact CD2-CD1 4.35Å; W144-F154 AromaticContact CD2-CE1 3.62Å; W144-F154 HydrophobicContact CD2-CE1 3.62Å; W144-F154 HydrophobicContact CE3-CD1 4.34Å; W144-F154 AromaticContact CE3-CE1 3.99Å; W144-F154 HydrophobicContact CE3-CE1 3.99Å; W144-F154 AromaticContact CG-CE1 3.67Å; W144-F154 HydrophobicContact CG-CE1 3.67Å; W144-F154 HydrophobicContact CG-CZ 4.23Å; V152-F154 HydrophobicContact CG1-CD1 4.05Å; V152-F154 HydrophobicContact CG1-CD2 4.27Å; V152-F154 HydrophobicContact CG1-CE1 3.65Å; V152-F154 HydrophobicContact CG1-CE2 3.92Å; V152-F154 HydrophobicContact CG1-CG 4.34Å; V152-F154 HydrophobicContact CG1-CZ 3.59Å; F154-W171 HydrophobicContact CB-CH2 3.57Å; F154-W171 HydrophobicContact CB-CZ2 4Å; F154-W171 HydrophobicContact CB-CZ3 4.04Å; F154-W171 WeakPolarHBondContact O-CZ2 2.97Å; F154-T186 WeakPolarHBondContact O-CA 3.47Å; F154-L187 HydrophobicContact CB-CB 4.29Å; F154-L187 HydrophobicContact CD2-CD2 3.98Å; F154-L187 HydrophobicContact CD2-CG 4.34Å; F154-L187 PolarHBondContact N-O 2.85Å; F154-L187 PolarHBondContact O-N 2.79Å; F154-I189 HydrophobicContact CD2-CD1 4.37Å; F154-I189 HydrophobicContact CE2-CD1 3.79Å; F154-Y200 HydrophobicContact CD2-CG 4.42Å; F154-Y200 AromaticContact CE2-CD2 3.94Å; F154-Y200 HydrophobicContact CE2-CD2 3.94Å; F154-Y200 HydrophobicContact CE2-CE2 4.44Å; F154-Y200 AromaticContact CE2-CG 3.96Å; F154-Y200 HydrophobicContact CE2-CG 3.96Å; F154-Y219 HydrophobicContact CB-CD2 4.15Å; F154-Y219 HydrophobicContact CB-CE2 4.09Å; F154-Y219 HydrophobicContact CD1-CD1 4.22Å; F154-Y219 AromaticContact CD1-CD2 3.57Å; F154-Y219 HydrophobicContact CD1-CD2 3.57Å; F154-Y219 HydrophobicContact CD1-CE1 4.45Å; F154-Y219 AromaticContact CD1-CE2 3.84Å; F154-Y219 HydrophobicContact CD1-CE2 3.84Å; F154-Y219 AromaticContact CD1-CG 3.78Å; F154-Y219 HydrophobicContact CD1-CG 3.78Å; F154-Y219 HydrophobicContact CE1-CD1 4.14Å; F154-Y219 HydrophobicContact CE1-CD2 4.05Å; F154-Y219 AromaticContact CE1-CG 3.78Å; F154-Y219 HydrophobicContact CE1-CG 3.78Å; F154-Y219 AromaticContact CG-CD2 3.91Å; F154-Y219 HydrophobicContact CG-CD2 3.91Å; F154-Y219 HydrophobicContact CG-CE2 4.23Å; F154-Y219 HydrophobicContact CG-CG 4.46Å; F154-Y219 HydrophobicContact CZ-CG 4.46Å; F154-L221 HydrophobicContact CE2-CD2 4.46Å; F154-L221 HydrophobicContact CZ-CB 4.27Å; F154-L221 HydrophobicContact CZ-CD1 4.27Å; F154-L221 HydrophobicContact CZ-CD2 4.29Å |
| 155 | H | 89.1 | Confident | 82.9 | Confident | 107 Ų | 107 | 68.2 Ų | 68.2 | 50% | 0.495 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 145.7 | 163.9 | -58.4 | -71.8 | 0 | 0 | 0 | 109 | E153 P157 T186 Y219 | E153-H155 IonicContact OE1-CE1 2.79Å; H155-P157 VanDerWaalsContact O-CD 3.24Å; H155-P157 WeakPolarHBondContact O-CD 3.27Å; H155-T186 VanDerWaalsContact CE1-CG2 3.49Å; H155-T186 WeakPolarHBondContact CE1-CG2 3.45Å; H155-T186 WeakPolarHBondContact ND1-CG2 3.45Å; H155-Y219 VanDerWaalsContact O-CE2 3.28Å; H155-Y219 WeakPolarHBondContact O-CE2 3.43Å; H155-Y219 PolarHBondContact O-OH 2.93Å; H155-Y219 VanDerWaalsContact O-OH 3.05Å |
| 156 | C | 87.5 | Confident | 81.9 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 10% | 0.101 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 117.2 | 179 | -167.8 | 0 | 0 | 0 | 0 | 109.6 | L159 I169 W171 C202 | C156-L159 HydrophobicContact CB-CD1 3.61Å; C156-L159 HydrophobicContact CB-CG 4.23Å; C156-L159 WeakPolarHBondContact O-CG 3.34Å; C156-I169 HydrophobicContact CB-CD1 4.15Å; C156-I169 HydrophobicContact CB-CG2 4.32Å; C156-W171 HydrophobicContact CB-CZ2 4.18Å; C156-C202 VanDerWaalsContact CA-SG 3.52Å; C156-C202 HydrophobicContact CB-CB 3.69Å; C156-C202 WeakPolarHBondContact CB-SG 3.28Å; C156-C202 WeakPolarHBondContact SG-CB 3.29Å; C156-C202 CovalentContact SG-SG 2.04Å; C156-C202 PolarHBondContact SG-SG 3.33Å |
| 157 | P | 86.6 | Confident | 81.6 | Confident | 20 Ų | 20 | 74.3 Ų | 74.3 | 13% | 0.13 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -76.6 | 165 | -169.4 | 29.6 | -35.4 | 0 | 0 | 0 | 112.4 | Y142 H155 L159 R217 Y219 | Y142-P157 HydrophobicContact CD2-CB 4.38Å; Y142-P157 HydrophobicContact CD2-CG 3.6Å; Y142-P157 HydrophobicContact CE1-CB 4.46Å; Y142-P157 HydrophobicContact CE2-CB 4.07Å; Y142-P157 HydrophobicContact CE2-CG 3.44Å; Y142-P157 VanDerWaalsContact CE2-CG 3.44Å; Y142-P157 HydrophobicContact CG-CG 4.28Å; H155-P157 VanDerWaalsContact O-CD 3.24Å; H155-P157 WeakPolarHBondContact O-CD 3.27Å; P157-L159 VanDerWaalsContact C-N 3.28Å; P157-L159 PolarHBondContact O-N 2.82Å; P157-L159 VanDerWaalsContact O-N 3.15Å; P157-R217 HydrophobicContact CG-CB 3.7Å; P157-R217 HydrophobicContact CG-CG 4.14Å; P157-R217 WeakPolarHBondContact O-CG 3.43Å; P157-Y219 HydrophobicContact CG-CE2 4.22Å |
| 158 | A | 82.4 | Confident | 81.5 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 45% | 0.446 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 51.9 | 40.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 159 | L | 83.1 | Confident | 81.5 | Confident | 35 Ų | 35 | 70.2 Ų | 70.2 | 18% | 0.183 | 39% | 0.393 | C | S | . | . | trans | -99.8 | -7.2 | 176.6 | -64.2 | -170.4 | 0 | 0 | 0 | 114.6 | C156 P157 R161 F162 I169 L204 V215 | C156-L159 HydrophobicContact CB-CD1 3.61Å; C156-L159 HydrophobicContact CB-CG 4.23Å; C156-L159 WeakPolarHBondContact O-CG 3.34Å; P157-L159 VanDerWaalsContact C-N 3.28Å; P157-L159 PolarHBondContact O-N 2.82Å; P157-L159 VanDerWaalsContact O-N 3.15Å; L159-R161 PolarHBondContact O-N 3.22Å; L159-F162 HydrophobicContact CD2-CD2 4.33Å; L159-F162 PolarHBondContact O-N 3.04Å; L159-I169 HydrophobicContact CD1-CD1 3.92Å; L159-L204 HydrophobicContact CD1-CD1 4.21Å; L159-L204 HydrophobicContact CD1-CD2 4.27Å; L159-L204 HydrophobicContact CD2-CD1 4.12Å; L159-L204 HydrophobicContact CD2-CD2 3.81Å; L159-V215 HydrophobicContact CD2-CG1 4.15Å | ||
| 160 | G | 82.8 | Confident | 81.7 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 88% | 0.876 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -20.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 161 | R | 84.8 | Confident | 81.9 | Confident | 127 Ų | 127 | 67.6 Ų | 67.6 | 48% | 0.479 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -8.3 | 176.8 | -62.1 | -67.7 | 177.5 | 175.5 | -9.1 | 113.8 | I49 H51 E96 L159 | I49-R161 HydrophobicContact CD1-CB 4.11Å; H51-R161 PolarHBondContact CE1-NH2 2.93Å; H51-R161 PolarHBondContact NE2-NH2 3.06Å; E96-R161 WeakPolarHBondContact OE1-CD 3.45Å; E96-R161 IonicContact OE1-CZ 3.8Å; E96-R161 IonicContact OE1-NE 3.62Å; E96-R161 PolarHBondContact OE1-NE 2.92Å; E96-R161 IonicContact OE1-NH1 3.86Å; E96-R161 PolarHBondContact OE1-NH1 3.26Å; E96-R161 IonicContact OE1-NH2 3.18Å; L159-R161 PolarHBondContact O-N 3.22Å |
| 162 | F | 84.7 | Confident | 82.1 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 10% | 0.101 | 34% | 0.34 | C | S | . | . | trans | -102.3 | 92.4 | 178.7 | -61.1 | -68 | 0 | 0 | 0 | 110.3 | A47 I49 L159 V206 I208 V215 | A47-F162 HydrophobicContact CB-CE1 4.05Å; A47-F162 HydrophobicContact CB-CZ 4.34Å; I49-F162 HydrophobicContact CD1-CD1 4.1Å; I49-F162 HydrophobicContact CD1-CE1 3.62Å; I49-F162 HydrophobicContact CD1-CZ 4.09Å; I49-F162 HydrophobicContact CG1-CE1 4.07Å; I49-F162 HydrophobicContact CG1-CZ 4.21Å; L159-F162 HydrophobicContact CD2-CD2 4.33Å; L159-F162 PolarHBondContact O-N 3.04Å; F162-V206 HydrophobicContact CB-CB 4.46Å; F162-V206 HydrophobicContact CB-CG1 3.75Å; F162-V206 HydrophobicContact CD1-CB 4.11Å; F162-V206 HydrophobicContact CD1-CG1 3.94Å; F162-V206 HydrophobicContact CD1-CG2 3.84Å; F162-V206 HydrophobicContact CE1-CG2 4.12Å; F162-V206 HydrophobicContact CG-CB 4.49Å; F162-V206 HydrophobicContact CG-CG1 3.85Å; F162-I208 HydrophobicContact CD1-CD1 4.34Å; F162-I208 HydrophobicContact CE1-CD1 4.18Å; F162-V215 HydrophobicContact CD2-CG2 4.47Å; F162-V215 HydrophobicContact CE1-CG2 4.19Å; F162-V215 HydrophobicContact CE2-CG1 4.1Å; F162-V215 HydrophobicContact CE2-CG2 4.05Å; F162-V215 HydrophobicContact CZ-CG2 3.89Å | ||
| 163 | N | 66.2 | Low | 82.2 | Confident | 161 Ų | 161 | 64.2 Ų | 64.2 | 86% | 0.861 | 35% | 0.348 | S | S | * | . | trans | -79.7 | -18.2 | -173.4 | -158.1 | -2.1 | 0 | 0 | 0 | 113.8 | ||||
| 164 | K | 67.3 | Low | 81.9 | Confident | 148 Ų | 148 | 62.4 Ų | 62.4 | 64% | 0.643 | 34% | 0.341 | S | S | * | . | trans | -126.5 | 106.9 | -178 | -67.1 | -177.3 | -179.3 | 178.4 | 0 | 111.3 | V206 L207 | K164-V206 WeakPolarHBondContact O-CA 3.43Å; K164-L207 HydrophobicContact CB-CB 4.31Å; K164-L207 PolarHBondContact O-N 3.41Å | ||
| 165 | T | 67.4 | Low | 81.3 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -90.5 | 124.9 | 168.5 | 56.8 | 0 | 0 | 0 | 0 | 109.1 | R167 L204 T205 | T165-R167 VanDerWaalsContact C-N 3.3Å; T165-L204 HydrophobicContact CG2-CD1 3.6Å; T165-T205 CarbonylContact C-O 3.58Å |
| 166 | G | 62.9 | Low | 80.7 | Confident | 35 Ų | 35 | 68.5 Ų | 68.5 | 36% | 0.361 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -78.4 | -16.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T205 L207 | G166-T205 PolarHBondContact N-O 3.31Å; G166-L207 VanDerWaalsContact CA-CD1 3.49Å |
| 167 | R | 72.9 | Confident | 79.9 | Confident | 150 Ų | 150 | 72.8 Ų | 72.8 | 57% | 0.566 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -146.5 | 157.2 | -178.4 | -70.3 | -169 | -179.9 | -161.7 | 0.1 | 110.4 | T165 | T165-R167 VanDerWaalsContact C-N 3.3Š|
| 168 | P | 81.4 | Confident | 79.6 | Confident | 73 Ų | 73 | 75.1 Ų | 75.1 | 47% | 0.474 | 42% | 0.423 | S | S | . | . | trans | -60.5 | 154.8 | 173.6 | 26.5 | -34.7 | 0 | 0 | 0 | 111.4 | ||||
| 169 | I | 87.8 | Confident | 79.5 | Confident | 24 Ų | 24 | 75.1 Ų | 75.1 | 12% | 0.123 | 42% | 0.418 | C | S | . | . | trans | -69.3 | 131.1 | 174.7 | -60.6 | 169.7 | 0 | 0 | 0 | 108.5 | C156 L159 A185 C202 L204 | C156-I169 HydrophobicContact CB-CD1 4.15Å; C156-I169 HydrophobicContact CB-CG2 4.32Å; L159-I169 HydrophobicContact CD1-CD1 3.92Å; I169-A185 HydrophobicContact CD1-CB 4.31Å; I169-C202 HydrophobicContact CG2-CB 3.75Å; I169-L204 HydrophobicContact CG1-CB 4.17Å | ||
| 170 | E | 90.2 | Very high | 79.3 | Confident | 77 Ų | 77 | 77.2 Ų | 77.2 | 36% | 0.36 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 126.6 | 177.8 | -68.1 | 178.2 | 175.9 | 0 | 0 | 110 | C202 R203 | E170-C202 CarbonylContact O-C 3.49Å; E170-C202 WeakPolarHBondContact O-CA 3.42Å; E170-R203 PolarHBondContact N-O 2.89Å; E170-R203 PolarHBondContact O-N 2.96Å |
| 171 | W | 91.4 | Very high | 78.8 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131.4 | 178.8 | -74 | 95.1 | 0 | 0 | 0 | 111.4 | F154 C156 P179 L180 A185 L187 T201 C202 Y219 | F154-W171 HydrophobicContact CB-CH2 3.57Å; F154-W171 HydrophobicContact CB-CZ2 4Å; F154-W171 HydrophobicContact CB-CZ3 4.04Å; F154-W171 WeakPolarHBondContact O-CZ2 2.97Å; C156-W171 HydrophobicContact CB-CZ2 4.18Å; W171-P179 CarbonylContact O-C 3.57Å; W171-P179 VanDerWaalsContact O-CA 3.31Å; W171-P179 WeakPolarHBondContact O-CA 3.09Å; W171-L180 PolarHBondContact O-N 2.88Å; W171-A185 PolarHBondContact NE1-O 2.81Å; W171-L187 HydrophobicContact CB-CB 4.34Å; W171-L187 HydrophobicContact CB-CD2 4.18Å; W171-L187 HydrophobicContact CD2-CB 3.63Å; W171-L187 HydrophobicContact CD2-CD2 4.05Å; W171-L187 HydrophobicContact CD2-CG 4.47Å; W171-L187 HydrophobicContact CE3-CB 4.16Å; W171-L187 HydrophobicContact CE3-CD2 3.87Å; W171-L187 HydrophobicContact CG-CB 3.71Å; W171-L187 HydrophobicContact CG-CD2 4.22Å; W171-L187 HydrophobicContact CG-CG 4.46Å; W171-L187 HydrophobicContact CZ2-CB 4.38Å; W171-T201 WeakPolarHBondContact CA-O 3.42Å; W171-C202 HydrophobicContact CD2-CB 3.86Å; W171-C202 HydrophobicContact CE3-CB 3.81Å; W171-C202 HydrophobicContact CH2-CB 3.74Å; W171-C202 HydrophobicContact CZ2-CB 3.79Å; W171-C202 HydrophobicContact CZ3-CB 3.75Å; W171-Y219 HydrophobicContact CH2-CD2 4.15Å; W171-Y219 HydrophobicContact CH2-CE2 4.06Å; W171-Y219 HydrophobicContact CZ3-CD2 4.19Å |
| 172 | H | 89.9 | Confident | 77.9 | Confident | 6 Ų | 6 | 75.1 Ų | 75.1 | 3% | 0.028 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 140.7 | 177.3 | -62.2 | -91 | 0 | 0 | 0 | 110 | N176 S177 A178 Y200 T201 | H172-N176 PolarHBondContact ND1-O 3Å; H172-S177 PolarHBondContact CE1-O 2.78Å; H172-S177 VanDerWaalsContact CE1-O 3.26Å; H172-S177 PolarHBondContact ND1-O 2.78Å; H172-A178 PolarHBondContact ND1-O 2.85Å; H172-Y200 CarbonylContact O-C 3.51Å; H172-Y200 WeakPolarHBondContact O-CA 3.45Å; H172-T201 PolarHBondContact N-O 2.83Å; H172-T201 PolarHBondContact O-N 2.86Å |
| 173 | K | 89.9 | Confident | 76.9 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 18% | 0.178 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.4 | 169.8 | -165 | -178.8 | -178.4 | -76.3 | 0 | 109.1 | N176 L180 A197 V199 Y200 | K173-N176 WeakPolarHBondContact O-CB 3.43Å; K173-N176 PolarHBondContact O-N 3.05Å; K173-L180 HydrophobicContact CB-CD1 3.75Å; K173-L180 HydrophobicContact CB-CD2 3.94Å; K173-L180 HydrophobicContact CB-CG 4.17Å; K173-A197 PolarHBondContact NZ-O 2.85Å; K173-V199 CarbonylContact C-O 3.57Å; K173-V199 WeakPolarHBondContact CA-O 3.46Å; K173-Y200 HydrophobicContact CB-CD1 4.29Å; K173-Y200 HydrophobicContact CB-CE1 4.09Å; K173-Y200 HydrophobicContact CD-CE1 3.86Å; K173-Y200 WeakPolarHBondContact CE-OH 3.47Å; K173-Y200 HydrophobicContact CG-CD1 4.14Å; K173-Y200 HydrophobicContact CG-CE1 3.71Å; K173-Y200 HydrophobicContact CG-CE2 4.36Å |
| 174 | D | 83 | Confident | 77 | Confident | 52 Ų | 52 | 75.7 Ų | 75.7 | 28% | 0.278 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -146.1 | -179 | -53.4 | -47.4 | 0 | 0 | 0 | 110.5 | N176 G198 V199 | D174-N176 PolarHBondContact O-N 3.08Å; D174-G198 WeakPolarHBondContact OD1-CA 3.4Å; D174-V199 PolarHBondContact N-O 3.36Å; D174-V199 PolarHBondContact OD1-N 2.81Å |
| 175 | F | 75.8 | Confident | 77.6 | Confident | 129 Ų | 129 | 71.3 Ų | 71.3 | 57% | 0.566 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 15.6 | 178.6 | -58.5 | -76.3 | 0 | 0 | 0 | 113.2 | Y133 V137 | Y133-F175 AromaticContact CD1-CE1 3.95Å; Y133-F175 HydrophobicContact CD1-CE1 3.95Å; Y133-F175 HydrophobicContact CD1-CZ 4.35Å; V137-F175 HydrophobicContact CG2-CZ 4.18Å |
| 176 | N | 76.8 | Confident | 78.4 | Confident | 107 Ų | 107 | 69.1 Ų | 69.1 | 57% | 0.572 | 40% | 0.397 | S | S | * | . | trans | -75.6 | 136.9 | -179 | -72.9 | -25.9 | 0 | 0 | 0 | 112.2 | H172 K173 D174 A178 | H172-N176 PolarHBondContact ND1-O 3Å; K173-N176 WeakPolarHBondContact O-CB 3.43Å; K173-N176 PolarHBondContact O-N 3.05Å; D174-N176 PolarHBondContact O-N 3.08Å; N176-A178 VanDerWaalsContact C-N 3.35Å; N176-A178 PolarHBondContact O-N 2.81Å | ||
| 177 | S | 70.3 | Confident | 79.6 | Confident | 105 Ų | 105 | 67.7 Ų | 67.7 | 73% | 0.734 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -77 | -18.4 | -177.9 | -53 | 0 | 0 | 0 | 0 | 113.9 | H172 | H172-S177 PolarHBondContact CE1-O 2.78Å; H172-S177 VanDerWaalsContact CE1-O 3.26Å; H172-S177 PolarHBondContact ND1-O 2.78Å |
| 178 | A | 79.9 | Confident | 80.5 | Confident | 69 Ų | 69 | 62.6 Ų | 62.6 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -80.2 | 132 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H172 N176 | H172-A178 PolarHBondContact ND1-O 2.85Å; N176-A178 VanDerWaalsContact C-N 3.35Å; N176-A178 PolarHBondContact O-N 2.81Å |
| 179 | P | 81 | Confident | 80.9 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | trans | -73.3 | 139.4 | 175.6 | 28.9 | -32.6 | 0 | 0 | 0 | 111.1 | W171 | W171-P179 CarbonylContact O-C 3.57Å; W171-P179 VanDerWaalsContact O-CA 3.31Å; W171-P179 WeakPolarHBondContact O-CA 3.09Å | ||
| 180 | L | 79.6 | Confident | 81.1 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 41% | 0.408 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -71.7 | -39.6 | -178.6 | -67.6 | 169.5 | 0 | 0 | 0 | 112.8 | W171 K173 L187 Y200 | W171-L180 PolarHBondContact O-N 2.88Å; K173-L180 HydrophobicContact CB-CD1 3.75Å; K173-L180 HydrophobicContact CB-CD2 3.94Å; K173-L180 HydrophobicContact CB-CG 4.17Å; L180-L187 HydrophobicContact CB-CD1 4.38Å; L180-L187 HydrophobicContact CD1-CD1 4.15Å; L180-L187 HydrophobicContact CD1-CD2 3.89Å; L180-Y200 HydrophobicContact CD1-CD1 3.84Å; L180-Y200 HydrophobicContact CD1-CE1 3.82Å |
| 181 | Q | 71.5 | Confident | 81.2 | Confident | 65 Ų | 65 | 61.4 Ų | 61.4 | 30% | 0.304 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -148.7 | 83.8 | -177 | -64.8 | -171.8 | 26.9 | 0 | 0 | 110.1 | G183 L187 | Q181-G183 PolarHBondContact O-N 3.15Å; Q181-L187 HydrophobicContact CG-CD1 4.46Å |
| 182 | P | 67.1 | Low | 81.1 | Confident | 103 Ų | 103 | 61.5 Ų | 61.5 | 67% | 0.669 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 129.4 | -178.4 | 23.3 | -30.9 | 0 | 0 | 0 | 111.3 | ||
| 183 | G | 62.7 | Low | 81.1 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 62% | 0.619 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | -5.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q181 | Q181-G183 PolarHBondContact O-N 3.15Š|
| 184 | R | 69.1 | Low | 81 | Confident | 137 Ų | 137 | 68 Ų | 68 | 52% | 0.517 | 40% | 0.402 | S | S | . | . | trans | -102 | 127.3 | 172.4 | -166.8 | -177 | -77.7 | -138.6 | -1.7 | 110.4 | T186 | R184-T186 VanDerWaalsContact C-N 3.28Å; R184-T186 WeakPolarHBondContact CD-O 3.23Å; R184-T186 VanDerWaalsContact CG-O 3.27Å; R184-T186 WeakPolarHBondContact CG-O 3.32Å; R184-T186 PolarHBondContact O-N 3.05Å | ||
| 185 | A | 78.6 | Confident | 81.3 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -67 | -30.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | I169 W171 | I169-A185 HydrophobicContact CD1-CB 4.31Å; W171-A185 PolarHBondContact NE1-O 2.81Å |
| 186 | T | 84.9 | Confident | 81.9 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 19% | 0.19 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -106.2 | 143.1 | -179.1 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | E153 F154 H155 R184 | E153-T186 WeakPolarHBondContact OE1-CB 3.29Å; E153-T186 PolarHBondContact OE1-OG1 3.31Å; F154-T186 WeakPolarHBondContact O-CA 3.47Å; H155-T186 VanDerWaalsContact CE1-CG2 3.49Å; H155-T186 WeakPolarHBondContact CE1-CG2 3.45Å; H155-T186 WeakPolarHBondContact ND1-CG2 3.45Å; R184-T186 VanDerWaalsContact C-N 3.28Å; R184-T186 WeakPolarHBondContact CD-O 3.23Å; R184-T186 VanDerWaalsContact CG-O 3.27Å; R184-T186 WeakPolarHBondContact CG-O 3.32Å; R184-T186 PolarHBondContact O-N 3.05Å |
| 187 | L | 88.9 | Confident | 82.4 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.1 | 175.1 | 172.3 | 65.3 | 0 | 0 | 0 | 109.4 | E153 F154 W171 L180 Q181 Y200 | E153-L187 CarbonylContact C-O 3.56Å; E153-L187 WeakPolarHBondContact CA-O 3.37Å; F154-L187 HydrophobicContact CB-CB 4.29Å; F154-L187 HydrophobicContact CD2-CD2 3.98Å; F154-L187 HydrophobicContact CD2-CG 4.34Å; F154-L187 PolarHBondContact N-O 2.85Å; F154-L187 PolarHBondContact O-N 2.79Å; W171-L187 HydrophobicContact CB-CB 4.34Å; W171-L187 HydrophobicContact CB-CD2 4.18Å; W171-L187 HydrophobicContact CD2-CB 3.63Å; W171-L187 HydrophobicContact CD2-CD2 4.05Å; W171-L187 HydrophobicContact CD2-CG 4.47Å; W171-L187 HydrophobicContact CE3-CB 4.16Å; W171-L187 HydrophobicContact CE3-CD2 3.87Å; W171-L187 HydrophobicContact CG-CB 3.71Å; W171-L187 HydrophobicContact CG-CD2 4.22Å; W171-L187 HydrophobicContact CG-CG 4.46Å; W171-L187 HydrophobicContact CZ2-CB 4.38Å; L180-L187 HydrophobicContact CB-CD1 4.38Å; L180-L187 HydrophobicContact CD1-CD1 4.15Å; L180-L187 HydrophobicContact CD1-CD2 3.89Å; Q181-L187 HydrophobicContact CG-CD1 4.46Å; L187-Y200 HydrophobicContact CD2-CD1 3.34Å; L187-Y200 HydrophobicContact CD2-CE1 3.88Å; L187-Y200 HydrophobicContact CD2-CG 4.16Å |
| 188 | T | 90.2 | Very high | 83.3 | Confident | 43 Ų | 43 | 58.3 Ų | 58.3 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.2 | 177.8 | -42.6 | 0 | 0 | 0 | 0 | 110.5 | V152 | V152-T188 CarbonylContact O-C 3.56Å; V152-T188 WeakPolarHBondContact O-CA 3.4Å |
| 189 | I | 90.7 | Very high | 83.8 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 6% | 0.062 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 92.6 | 173.1 | -54.9 | 173.1 | 0 | 0 | 0 | 107.2 | V152 F154 V192 H196 Y200 L221 | V152-I189 HydrophobicContact CB-CB 4.4Å; V152-I189 PolarHBondContact N-O 2.94Å; V152-I189 PolarHBondContact O-N 2.88Å; F154-I189 HydrophobicContact CD2-CD1 4.37Å; F154-I189 HydrophobicContact CE2-CD1 3.79Å; I189-V192 HydrophobicContact CB-CG2 4.38Å; I189-V192 HydrophobicContact CG2-CG2 3.84Å; I189-H196 HydrophobicContact CG2-CB 4.3Å; I189-H196 WeakPolarHBondContact CG2-ND1 3.32Å; I189-Y200 HydrophobicContact CD1-CE1 3.8Å; I189-Y200 HydrophobicContact CD1-CE2 4.1Å; I189-Y200 WeakPolarHBondContact CD1-OH 3.43Å; I189-L221 HydrophobicContact CD1-CD2 3.95Å |
| 190 | P | 91.6 | Very high | 84.3 | Confident | 87 Ų | 87 | 53.4 Ų | 53.4 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -73.2 | 143.2 | 174.6 | 30.8 | -33.3 | 0 | 0 | 0 | 110.2 | N151 | N151-P190 VanDerWaalsContact OD1-CA 3.29Å; N151-P190 WeakPolarHBondContact OD1-CA 3.24Å |
| 191 | A | 91.5 | Very high | 84.8 | Confident | 50 Ų | 50 | 50 Ų | 50 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 46.2 | 70.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E150 N151 K193 | E150-A191 WeakPolarHBondContact O-CA 3.43Å; E150-A191 PolarHBondContact O-N 2.8Å; N151-A191 PolarHBondContact OD1-N 3.16Å; A191-K193 PolarHBondContact O-N 3.5Å |
| 192 | V | 91.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | trans | -50.4 | 137.7 | -178.1 | 167.8 | 0 | 0 | 0 | 0 | 111.7 | A146 V148 G149 E150 V152 I189 V223 | A146-V192 HydrophobicContact CB-CG1 4.28Å; A146-V192 HydrophobicContact CB-CG2 4.3Å; V148-V192 CarbonylContact C-O 3.53Å; V148-V192 VanDerWaalsContact CA-O 3.29Å; V148-V192 WeakPolarHBondContact CA-O 3.13Å; G149-V192 PolarHBondContact N-O 3.46Å; E150-V192 VanDerWaalsContact O-CG2 3.28Å; E150-V192 WeakPolarHBondContact O-CG2 3.39Å; E150-V192 PolarHBondContact O-N 2.81Å; V152-V192 HydrophobicContact CB-CG2 4.18Å; V152-V192 HydrophobicContact CG2-CG2 3.64Å; I189-V192 HydrophobicContact CB-CG2 4.38Å; I189-V192 HydrophobicContact CG2-CG2 3.84Å; V192-V223 HydrophobicContact CG1-CB 4.21Å; V192-V223 HydrophobicContact CG1-CG1 3.54Å; V192-V223 HydrophobicContact CG1-CG2 3.57Å | ||
| 193 | K | 89.9 | Confident | 86.8 | Confident | 113 Ų | 113 | 46.8 Ų | 46.8 | 49% | 0.491 | 28% | 0.278 | S | S | . | . | trans | -120.3 | 160 | 176.6 | -62.7 | 179.4 | -178.5 | 178.3 | 0 | 109.4 | A191 S195 H196 | A191-K193 PolarHBondContact O-N 3.5Å; K193-S195 PolarHBondContact O-N 2.78Å; K193-S195 VanDerWaalsContact O-N 3.15Å; K193-H196 PolarHBondContact N-ND1 3.34Å; K193-H196 VanDerWaalsContact N-ND1 3.15Å; K193-H196 VanDerWaalsContact O-CB 3.32Å; K193-H196 WeakPolarHBondContact O-CB 3.45Å; K193-H196 PolarHBondContact O-N 3.18Å | ||
| 194 | L | 86.5 | Confident | 88.1 | Confident | 71 Ų | 71 | 44.3 Ų | 44.3 | 37% | 0.372 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -54.9 | -34.9 | 175.2 | -71.7 | 171.4 | 0 | 0 | 0 | 112.4 | V148 H196 A197 V223 | V148-L194 HydrophobicContact CG2-CD2 4.31Å; V148-L194 HydrophobicContact CG2-CG 4.15Å; L194-H196 PolarHBondContact O-N 2.89Å; L194-A197 WeakPolarHBondContact O-CB 3.49Å; L194-A197 PolarHBondContact O-N 2Å; L194-V223 HydrophobicContact CD2-CB 4.37Å; L194-V223 HydrophobicContact CD2-CG1 4.07Å |
| 195 | S | 89.4 | Confident | 89.2 | Confident | 86 Ų | 86 | 39.1 Ų | 39.1 | 60% | 0.601 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -66.7 | -14.9 | 176 | 61.5 | 0 | 0 | 0 | 0 | 114.7 | K193 A197 | K193-S195 PolarHBondContact O-N 2.78Å; K193-S195 VanDerWaalsContact O-N 3.15Å; S195-A197 VanDerWaalsContact C-N 3.31Å |
| 196 | H | 89.4 | Confident | 89.8 | Confident | 48 Ų | 48 | 36.5 Ų | 36.5 | 22% | 0.222 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -80.8 | -11.2 | 175.6 | -61.1 | 160.8 | 0 | 0 | 0 | 112.4 | I189 K193 L194 Y200 L221 | I189-H196 HydrophobicContact CG2-CB 4.3Å; I189-H196 WeakPolarHBondContact CG2-ND1 3.32Å; K193-H196 PolarHBondContact N-ND1 3.34Å; K193-H196 VanDerWaalsContact N-ND1 3.15Å; K193-H196 VanDerWaalsContact O-CB 3.32Å; K193-H196 WeakPolarHBondContact O-CB 3.45Å; K193-H196 PolarHBondContact O-N 3.18Å; L194-H196 PolarHBondContact O-N 2.89Å; H196-Y200 VanDerWaalsContact O-CE2 3.25Å; H196-Y200 WeakPolarHBondContact O-CE2 3.31Å; H196-Y200 PolarHBondContact O-OH 2.95Å; H196-L221 HydrophobicContact CB-CD2 4.42Å |
| 197 | A | 87.5 | Confident | 90 | Very high | 40 Ų | 40 | 38 Ų | 38 | 33% | 0.331 | 22% | 0.218 | S | C | . | . | trans | -55.5 | 145.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K173 L194 S195 L221 V223 | K173-A197 PolarHBondContact NZ-O 2.85Å; L194-A197 WeakPolarHBondContact O-CB 3.49Å; L194-A197 PolarHBondContact O-N 2Å; S195-A197 VanDerWaalsContact C-N 3.31Å; A197-L221 WeakPolarHBondContact CA-O 3.43Å; A197-V223 HydrophobicContact CB-CB 4.39Å; A197-V223 HydrophobicContact CB-CG2 3.99Å | ||
| 198 | G | 88.4 | Confident | 90 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 142.9 | -168.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D174 L221 | D174-G198 WeakPolarHBondContact OD1-CA 3.4Å; G198-L221 PolarHBondContact N-O 2.84Å; G198-L221 VanDerWaalsContact N-O 3.13Å; G198-L221 PolarHBondContact O-N 2.87Å |
| 199 | V | 90.3 | Very high | 89.8 | Confident | 12 Ų | 12 | 42 Ų | 42 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131.4 | -177 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | Y133 V137 K173 D174 A218 Y219 L220 | Y133-V199 HydrophobicContact CE1-CG1 3.62Å; V137-V199 HydrophobicContact CG1-CG2 3.7Å; K173-V199 CarbonylContact C-O 3.57Å; K173-V199 WeakPolarHBondContact CA-O 3.46Å; D174-V199 PolarHBondContact N-O 3.36Å; D174-V199 PolarHBondContact OD1-N 2.81Å; V199-A218 HydrophobicContact CG1-CB 4.04Å; V199-Y219 CarbonylContact C-O 3.49Å; V199-Y219 VanDerWaalsContact CA-O 3.3Å; V199-Y219 WeakPolarHBondContact CA-O 3.21Å; V199-L220 HydrophobicContact CG2-CD1 4.03Å |
| 200 | Y | 90.6 | Very high | 89.5 | Confident | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 106.7 | 176.8 | -71.3 | -90.7 | 0 | 0 | 0 | 109.7 | F154 H172 K173 L180 L187 I189 H196 A218 Y219 L221 | F154-Y200 HydrophobicContact CD2-CG 4.42Å; F154-Y200 AromaticContact CE2-CD2 3.94Å; F154-Y200 HydrophobicContact CE2-CD2 3.94Å; F154-Y200 HydrophobicContact CE2-CE2 4.44Å; F154-Y200 AromaticContact CE2-CG 3.96Å; F154-Y200 HydrophobicContact CE2-CG 3.96Å; H172-Y200 CarbonylContact O-C 3.51Å; H172-Y200 WeakPolarHBondContact O-CA 3.45Å; K173-Y200 HydrophobicContact CB-CD1 4.29Å; K173-Y200 HydrophobicContact CB-CE1 4.09Å; K173-Y200 HydrophobicContact CD-CE1 3.86Å; K173-Y200 WeakPolarHBondContact CE-OH 3.47Å; K173-Y200 HydrophobicContact CG-CD1 4.14Å; K173-Y200 HydrophobicContact CG-CE1 3.71Å; K173-Y200 HydrophobicContact CG-CE2 4.36Å; L180-Y200 HydrophobicContact CD1-CD1 3.84Å; L180-Y200 HydrophobicContact CD1-CE1 3.82Å; L187-Y200 HydrophobicContact CD2-CD1 3.34Å; L187-Y200 HydrophobicContact CD2-CE1 3.88Å; L187-Y200 HydrophobicContact CD2-CG 4.16Å; I189-Y200 HydrophobicContact CD1-CE1 3.8Å; I189-Y200 HydrophobicContact CD1-CE2 4.1Å; I189-Y200 WeakPolarHBondContact CD1-OH 3.43Å; H196-Y200 VanDerWaalsContact O-CE2 3.25Å; H196-Y200 WeakPolarHBondContact O-CE2 3.31Å; H196-Y200 PolarHBondContact O-OH 2.95Å; Y200-A218 CarbonylContact O-C 3.5Å; Y200-A218 WeakPolarHBondContact O-CA 3.23Å; Y200-Y219 PolarHBondContact N-O 2.79Å; Y200-Y219 PolarHBondContact O-N 2.89Å; Y200-L221 HydrophobicContact CD2-CB 3.99Å; Y200-L221 HydrophobicContact CD2-CD2 4.46Å; Y200-L221 HydrophobicContact CE2-CB 3.89Å; Y200-L221 HydrophobicContact CE2-CD2 3.76Å; Y200-L221 HydrophobicContact CE2-CG 4.46Å |
| 201 | T | 91.1 | Very high | 89.4 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 119.4 | -176.4 | -52.8 | 0 | 0 | 0 | 0 | 110.6 | W171 H172 R203 R217 A218 | W171-T201 WeakPolarHBondContact CA-O 3.42Å; H172-T201 PolarHBondContact N-O 2.83Å; H172-T201 PolarHBondContact O-N 2.86Å; T201-R203 HydrophobicContact CG2-CG 4Å; T201-R217 CarbonylContact C-O 3.58Å; T201-R217 VanDerWaalsContact CA-O 3.3Å; T201-R217 WeakPolarHBondContact CA-O 3.23Å; T201-A218 HydrophobicContact CG2-CB 4.27Å |
| 202 | C | 90.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 131.2 | 163.1 | 56.4 | 0 | 0 | 0 | 0 | 109.7 | C156 I169 E170 W171 S216 R217 | C156-C202 VanDerWaalsContact CA-SG 3.52Å; C156-C202 HydrophobicContact CB-CB 3.69Å; C156-C202 WeakPolarHBondContact CB-SG 3.28Å; C156-C202 WeakPolarHBondContact SG-CB 3.29Å; C156-C202 CovalentContact SG-SG 2.04Å; C156-C202 PolarHBondContact SG-SG 3.33Å; I169-C202 HydrophobicContact CG2-CB 3.75Å; E170-C202 CarbonylContact O-C 3.49Å; E170-C202 WeakPolarHBondContact O-CA 3.42Å; W171-C202 HydrophobicContact CD2-CB 3.86Å; W171-C202 HydrophobicContact CE3-CB 3.81Å; W171-C202 HydrophobicContact CH2-CB 3.74Å; W171-C202 HydrophobicContact CZ2-CB 3.79Å; W171-C202 HydrophobicContact CZ3-CB 3.75Å; C202-S216 CarbonylContact O-C 3.58Å; C202-S216 WeakPolarHBondContact O-CA 3.28Å; C202-S216 WeakPolarHBondContact O-CB 3.34Å; C202-R217 PolarHBondContact N-O 3.28Å; C202-R217 PolarHBondContact O-N 2.88Å; C202-R217 PolarHBondContact SG-O 3.26Å |
| 203 | R | 90.4 | Very high | 89.5 | Confident | 102 Ų | 102 | 54.7 Ų | 54.7 | 39% | 0.385 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 135.2 | 176 | -64 | -177.2 | 178.6 | 151.8 | -2.2 | 109 | E170 T201 | E170-R203 PolarHBondContact N-O 2.89Å; E170-R203 PolarHBondContact O-N 2.96Å; T201-R203 HydrophobicContact CG2-CG 4Å |
| 204 | L | 90.1 | Very high | 89.6 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 163.3 | 175.9 | 66.2 | 148.8 | 0 | 0 | 0 | 110.9 | L159 T165 I169 V206 V215 | L159-L204 HydrophobicContact CD1-CD1 4.21Å; L159-L204 HydrophobicContact CD1-CD2 4.27Å; L159-L204 HydrophobicContact CD2-CD1 4.12Å; L159-L204 HydrophobicContact CD2-CD2 3.81Å; T165-L204 HydrophobicContact CG2-CD1 3.6Å; I169-L204 HydrophobicContact CG1-CB 4.17Å; L204-V206 HydrophobicContact CD1-CG1 3.79Å; L204-V206 HydrophobicContact CG-CG1 4.47Å; L204-V215 HydrophobicContact CD2-CB 4.09Å; L204-V215 HydrophobicContact CD2-CG1 4.14Å; L204-V215 WeakPolarHBondContact CD2-O 3.18Å; L204-V215 HydrophobicContact CG-CB 4.12Å; L204-V215 PolarHBondContact N-O 2.95Å; L204-V215 PolarHBondContact O-N 3.1Å |
| 205 | T | 90.6 | Very high | 89.9 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 17% | 0.172 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.6 | 172.8 | -55.2 | 0 | 0 | 0 | 0 | 109 | T165 G166 Q212 Y213 | T165-T205 CarbonylContact C-O 3.58Å; G166-T205 PolarHBondContact N-O 3.31Å; T205-Q212 HydrophobicContact CG2-CB 3.6Å; T205-Q212 HydrophobicContact CG2-CG 3.87Å; T205-Y213 CarbonylContact C-O 3.55Å; T205-Y213 WeakPolarHBondContact CA-O 3.44Å |
| 206 | V | 91.3 | Very high | 90 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 146.5 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 110 | A47 F162 K164 L204 I208 Q212 Y213 V215 | A47-V206 HydrophobicContact CB-CG2 4.3Å; F162-V206 HydrophobicContact CB-CB 4.46Å; F162-V206 HydrophobicContact CB-CG1 3.75Å; F162-V206 HydrophobicContact CD1-CB 4.11Å; F162-V206 HydrophobicContact CD1-CG1 3.94Å; F162-V206 HydrophobicContact CD1-CG2 3.84Å; F162-V206 HydrophobicContact CE1-CG2 4.12Å; F162-V206 HydrophobicContact CG-CB 4.49Å; F162-V206 HydrophobicContact CG-CG1 3.85Å; K164-V206 WeakPolarHBondContact O-CA 3.43Å; L204-V206 HydrophobicContact CD1-CG1 3.79Å; L204-V206 HydrophobicContact CG-CG1 4.47Å; V206-I208 HydrophobicContact CG2-CD1 3.96Å; V206-I208 HydrophobicContact CG2-CG1 4.23Å; V206-Q212 WeakPolarHBondContact O-CA 3.34Å; V206-Y213 PolarHBondContact N-O 2.93Å; V206-Y213 PolarHBondContact O-N 2.87Å; V206-V215 HydrophobicContact CG1-CG2 3.96Å; V206-V215 HydrophobicContact CG2-CG2 3.87Å |
| 207 | L | 90.2 | Very high | 90.1 | Very high | 62 Ų | 62 | 48.6 Ų | 48.6 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 111 | 177.7 | -81.8 | 161.1 | 0 | 0 | 0 | 109.6 | K164 G166 L211 Q212 | K164-L207 HydrophobicContact CB-CB 4.31Å; K164-L207 PolarHBondContact O-N 3.41Å; G166-L207 VanDerWaalsContact CA-CD1 3.49Å; L207-L211 WeakPolarHBondContact CA-O 3.4Å; L207-Q212 HydrophobicContact CD2-CG 3.74Å; L207-Q212 HydrophobicContact CG-CG 4.46Å |
| 208 | I | 88.5 | Confident | 90.2 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 8% | 0.077 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.4 | 177.6 | -58 | 168.8 | 0 | 0 | 0 | 107.5 | A47 W98 L100 F162 V206 N210 L211 Y213 | A47-I208 HydrophobicContact CB-CD1 4.25Å; W98-I208 HydrophobicContact CE3-CD1 4.27Å; W98-I208 HydrophobicContact CE3-CG2 4.14Å; W98-I208 HydrophobicContact CZ3-CD1 4.02Å; W98-I208 HydrophobicContact CZ3-CG1 4.26Å; W98-I208 HydrophobicContact CZ3-CG2 3.76Å; L100-I208 HydrophobicContact CD1-CD1 4.38Å; L100-I208 HydrophobicContact CD1-CG2 3.78Å; L100-I208 HydrophobicContact CD2-CD1 3.66Å; F162-I208 HydrophobicContact CD1-CD1 4.34Å; F162-I208 HydrophobicContact CE1-CD1 4.18Å; V206-I208 HydrophobicContact CG2-CD1 3.96Å; V206-I208 HydrophobicContact CG2-CG1 4.23Å; I208-N210 PolarHBondContact O-N 2.82Å; I208-L211 PolarHBondContact N-O 3.18Å; I208-L211 WeakPolarHBondContact O-CB 3.42Å; I208-L211 PolarHBondContact O-N 2.88Å; I208-Y213 HydrophobicContact CB-CD2 3.96Å; I208-Y213 HydrophobicContact CB-CE2 3.93Å; I208-Y213 HydrophobicContact CD1-CD2 4.1Å; I208-Y213 HydrophobicContact CG1-CD2 4.3Å |
| 209 | N | 85.5 | Confident | 90.1 | Very high | 118 Ų | 118 | 46.5 Ų | 46.5 | 63% | 0.631 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 42.8 | -176.2 | -59.7 | -20.7 | 0 | 0 | 0 | 113.4 | L211 | N209-L211 PolarHBondContact O-N 2.81Å; N209-L211 VanDerWaalsContact O-N 3.13Å |
| 210 | N | 85.8 | Confident | 89.9 | Confident | 157 Ų | 157 | 48.7 Ų | 48.7 | 84% | 0.84 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 9 | -175 | -62.8 | -18.6 | 0 | 0 | 0 | 115.9 | I208 | I208-N210 PolarHBondContact O-N 2.82Š|
| 211 | L | 89.2 | Confident | 89.7 | Confident | 101 Ų | 101 | 48.5 Ų | 48.5 | 53% | 0.529 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 146 | 172.3 | -64.5 | 173.1 | 0 | 0 | 0 | 110.3 | L207 I208 N209 Y213 | L207-L211 WeakPolarHBondContact CA-O 3.4Å; I208-L211 PolarHBondContact N-O 3.18Å; I208-L211 WeakPolarHBondContact O-CB 3.42Å; I208-L211 PolarHBondContact O-N 2.88Å; N209-L211 PolarHBondContact O-N 2.81Å; N209-L211 VanDerWaalsContact O-N 3.13Å; L211-Y213 HydrophobicContact CB-CD2 4.47Å; L211-Y213 HydrophobicContact CB-CE2 3.61Å; L211-Y213 WeakPolarHBondContact CD1-OH 3.49Å |
| 212 | Q | 91.3 | Very high | 89.3 | Confident | 123 Ų | 123 | 52.5 Ų | 52.5 | 58% | 0.575 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126.6 | -179.3 | -73.8 | -176.5 | 29.3 | 0 | 0 | 110.6 | T205 V206 L207 | T205-Q212 HydrophobicContact CG2-CB 3.6Å; T205-Q212 HydrophobicContact CG2-CG 3.87Å; V206-Q212 WeakPolarHBondContact O-CA 3.34Å; L207-Q212 HydrophobicContact CD2-CG 3.74Å; L207-Q212 HydrophobicContact CG-CG 4.46Å |
| 213 | Y | 92.3 | Very high | 89 | Confident | 35 Ų | 35 | 53 Ų | 53 | 14% | 0.137 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.8 | 176 | -60.6 | -84.1 | 0 | 0 | 0 | 111 | A47 L100 T205 V206 I208 L211 | A47-Y213 HydrophobicContact CB-CG 4.11Å; L100-Y213 HydrophobicContact CB-CD1 4.36Å; L100-Y213 HydrophobicContact CB-CE1 3.76Å; L100-Y213 HydrophobicContact CB-CE2 4.39Å; L100-Y213 HydrophobicContact CD1-CE2 4.44Å; T205-Y213 CarbonylContact C-O 3.55Å; T205-Y213 WeakPolarHBondContact CA-O 3.44Å; V206-Y213 PolarHBondContact N-O 2.93Å; V206-Y213 PolarHBondContact O-N 2.87Å; I208-Y213 HydrophobicContact CB-CD2 3.96Å; I208-Y213 HydrophobicContact CB-CE2 3.93Å; I208-Y213 HydrophobicContact CD1-CD2 4.1Å; I208-Y213 HydrophobicContact CG1-CD2 4.3Å; L211-Y213 HydrophobicContact CB-CD2 4.47Å; L211-Y213 HydrophobicContact CB-CE2 3.61Å; L211-Y213 WeakPolarHBondContact CD1-OH 3.49Å |
| 214 | K | 92.3 | Very high | 88.6 | Confident | 154 Ų | 154 | 49.8 Ų | 49.8 | 67% | 0.67 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 141.9 | 176.2 | -64.6 | 179.6 | -178.1 | 176.7 | 0 | 109.8 | E46 A47 | E46-K214 CarbonylContact C-O 3.6Å; E46-K214 WeakPolarHBondContact CA-O 3.3Å; E46-K214 WeakPolarHBondContact CB-O 3.39Å; A47-K214 PolarHBondContact N-O 3.02Å |
| 215 | V | 92.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 131.5 | 169.8 | 178.4 | 0 | 0 | 0 | 0 | 107.1 | A47 L159 F162 L204 V206 | A47-V215 HydrophobicContact CB-CG2 4.14Å; L159-V215 HydrophobicContact CD2-CG1 4.15Å; F162-V215 HydrophobicContact CD2-CG2 4.47Å; F162-V215 HydrophobicContact CE1-CG2 4.19Å; F162-V215 HydrophobicContact CE2-CG1 4.1Å; F162-V215 HydrophobicContact CE2-CG2 4.05Å; F162-V215 HydrophobicContact CZ-CG2 3.89Å; L204-V215 HydrophobicContact CD2-CB 4.09Å; L204-V215 HydrophobicContact CD2-CG1 4.14Å; L204-V215 WeakPolarHBondContact CD2-O 3.18Å; L204-V215 HydrophobicContact CG-CB 4.12Å; L204-V215 PolarHBondContact N-O 2.95Å; L204-V215 PolarHBondContact O-N 3.1Å; V206-V215 HydrophobicContact CG1-CG2 3.96Å; V206-V215 HydrophobicContact CG2-CG2 3.87Å |
| 216 | S | 91.7 | Very high | 86.7 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 148.3 | 172.2 | 77.5 | 0 | 0 | 0 | 0 | 112.3 | E46 C202 | E46-S216 VanDerWaalsContact CD-N 3.31Å; E46-S216 WeakPolarHBondContact OE1-CA 3.14Å; E46-S216 WeakPolarHBondContact OE1-CB 3.47Å; E46-S216 PolarHBondContact OE1-N 3.22Å; E46-S216 PolarHBondContact OE1-OG 3.08Å; E46-S216 PolarHBondContact OE2-N 2.63Å; C202-S216 CarbonylContact O-C 3.58Å; C202-S216 WeakPolarHBondContact O-CA 3.28Å; C202-S216 WeakPolarHBondContact O-CB 3.34Å |
| 217 | R | 91.3 | Very high | 85 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 5% | 0.049 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 155.3 | 174.5 | -54.4 | -75.7 | 179.7 | -94.7 | -2.9 | 108.1 | E46 Y142 P157 T201 C202 | E46-R217 IonicContact OE2-NH1 3.29Å; E46-R217 PolarHBondContact OE2-NH1 2.81Å; Y142-R217 HydrophobicContact CE2-CB 4.49Å; P157-R217 HydrophobicContact CG-CB 3.7Å; P157-R217 HydrophobicContact CG-CG 4.14Å; P157-R217 WeakPolarHBondContact O-CG 3.43Å; T201-R217 CarbonylContact C-O 3.58Å; T201-R217 VanDerWaalsContact CA-O 3.3Å; T201-R217 WeakPolarHBondContact CA-O 3.23Å; C202-R217 PolarHBondContact N-O 3.28Å; C202-R217 PolarHBondContact O-N 2.88Å; C202-R217 PolarHBondContact SG-O 3.26Å |
| 218 | A | 89.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 144.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y133 S141 Y142 V199 Y200 T201 | Y133-A218 HydrophobicContact CE1-CB 4.46Å; Y133-A218 HydrophobicContact CE2-CB 3.57Å; Y133-A218 VanDerWaalsContact CZ-CB 3.42Å; Y133-A218 WeakPolarHBondContact OH-CB 3.42Å; S141-A218 CarbonylContact C-O 3.48Å; S141-A218 WeakPolarHBondContact CA-O 3.48Å; Y142-A218 WeakPolarHBondContact CD2-O 3.12Å; Y142-A218 PolarHBondContact N-O 3.28Å; V199-A218 HydrophobicContact CG1-CB 4.04Å; Y200-A218 CarbonylContact O-C 3.5Å; Y200-A218 WeakPolarHBondContact O-CA 3.23Å; T201-A218 HydrophobicContact CG2-CB 4.27Å |
| 219 | Y | 87.4 | Confident | 81.4 | Confident | 13 Ų | 13 | 65 Ų | 65 | 5% | 0.051 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 143.3 | 169.6 | -70.6 | -80 | 0 | 0 | 0 | 110.2 | Y142 W144 F154 H155 P157 W171 V199 Y200 | Y142-Y219 HydrophobicContact CG-CE1 4.32Å; Y142-Y219 CarbonylContact O-C 3.6Å; Y142-Y219 VanDerWaalsContact O-CA 3.26Å; Y142-Y219 WeakPolarHBondContact O-CA 3.41Å; W144-Y219 HydrophobicContact CB-CD1 4.39Å; W144-Y219 HydrophobicContact CE3-CD1 4.16Å; W144-Y219 AromaticContact CE3-CE1 3.99Å; W144-Y219 HydrophobicContact CE3-CE1 3.99Å; W144-Y219 HydrophobicContact CZ3-CE1 4.45Å; F154-Y219 HydrophobicContact CB-CD2 4.15Å; F154-Y219 HydrophobicContact CB-CE2 4.09Å; F154-Y219 HydrophobicContact CD1-CD1 4.22Å; F154-Y219 AromaticContact CD1-CD2 3.57Å; F154-Y219 HydrophobicContact CD1-CD2 3.57Å; F154-Y219 HydrophobicContact CD1-CE1 4.45Å; F154-Y219 AromaticContact CD1-CE2 3.84Å; F154-Y219 HydrophobicContact CD1-CE2 3.84Å; F154-Y219 AromaticContact CD1-CG 3.78Å; F154-Y219 HydrophobicContact CD1-CG 3.78Å; F154-Y219 HydrophobicContact CE1-CD1 4.14Å; F154-Y219 HydrophobicContact CE1-CD2 4.05Å; F154-Y219 AromaticContact CE1-CG 3.78Å; F154-Y219 HydrophobicContact CE1-CG 3.78Å; F154-Y219 AromaticContact CG-CD2 3.91Å; F154-Y219 HydrophobicContact CG-CD2 3.91Å; F154-Y219 HydrophobicContact CG-CE2 4.23Å; F154-Y219 HydrophobicContact CG-CG 4.46Å; F154-Y219 HydrophobicContact CZ-CG 4.46Å; H155-Y219 VanDerWaalsContact O-CE2 3.28Å; H155-Y219 WeakPolarHBondContact O-CE2 3.43Å; H155-Y219 PolarHBondContact O-OH 2.93Å; H155-Y219 VanDerWaalsContact O-OH 3.05Å; P157-Y219 HydrophobicContact CG-CE2 4.22Å; W171-Y219 HydrophobicContact CH2-CD2 4.15Å; W171-Y219 HydrophobicContact CH2-CE2 4.06Å; W171-Y219 HydrophobicContact CZ3-CD2 4.19Å; V199-Y219 CarbonylContact C-O 3.49Å; V199-Y219 VanDerWaalsContact CA-O 3.3Å; V199-Y219 WeakPolarHBondContact CA-O 3.21Å; Y200-Y219 PolarHBondContact N-O 2.79Å; Y200-Y219 PolarHBondContact O-N 2.89Å |
| 220 | L | 86.3 | Confident | 79.2 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 30% | 0.298 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 101.6 | 165.3 | 176.8 | 61.3 | 0 | 0 | 0 | 108 | Y142 W144 V199 | Y142-L220 PolarHBondContact O-N 2.93Å; W144-L220 PolarHBondContact N-O 2.76Å; V199-L220 HydrophobicContact CG2-CD1 4.03Å |
| 221 | L | 85.6 | Confident | 76.9 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.016 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 115.1 | 179.7 | -179.8 | 58.5 | 0 | 0 | 0 | 110.4 | W144 A146 F154 I189 H196 A197 G198 Y200 V223 | W144-L221 HydrophobicContact CB-CD1 4.36Å; W144-L221 VanDerWaalsContact CD1-CD1 3.48Å; W144-L221 HydrophobicContact CG-CD1 4.22Å; W144-L221 CarbonylContact O-C 3.6Å; W144-L221 WeakPolarHBondContact O-CA 3.18Å; A146-L221 HydrophobicContact CB-CD1 3.88Å; F154-L221 HydrophobicContact CE2-CD2 4.46Å; F154-L221 HydrophobicContact CZ-CB 4.27Å; F154-L221 HydrophobicContact CZ-CD1 4.27Å; F154-L221 HydrophobicContact CZ-CD2 4.29Å; I189-L221 HydrophobicContact CD1-CD2 3.95Å; H196-L221 HydrophobicContact CB-CD2 4.42Å; A197-L221 WeakPolarHBondContact CA-O 3.43Å; G198-L221 PolarHBondContact N-O 2.84Å; G198-L221 VanDerWaalsContact N-O 3.13Å; G198-L221 PolarHBondContact O-N 2.87Å; Y200-L221 HydrophobicContact CD2-CB 3.99Å; Y200-L221 HydrophobicContact CD2-CD2 4.46Å; Y200-L221 HydrophobicContact CE2-CB 3.89Å; Y200-L221 HydrophobicContact CE2-CD2 3.76Å; Y200-L221 HydrophobicContact CE2-CG 4.46Å; L221-V223 HydrophobicContact CD2-CG2 4.29Å; L221-V223 HydrophobicContact CG-CG2 4.05Å |
| 222 | H | 83.4 | Confident | 74.2 | Confident | 90 Ų | 90 | 64 Ų | 64 | 42% | 0.417 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 133.2 | 165.5 | -167.3 | 62 | 0 | 0 | 0 | 109.9 | W144 S145 A146 E224 | W144-H222 PolarHBondContact O-N 2.86Å; S145-H222 WeakPolarHBondContact CA-O 3.21Å; A146-H222 PolarHBondContact N-O 2.81Å; H222-E224 IonicContact CD2-OE1 3.66Å |
| 223 | V | 84.1 | Confident | 71.8 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.3 | 179.7 | -176.8 | 0 | 0 | 0 | 0 | 110 | A146 V148 V192 L194 A197 L221 | A146-V223 CarbonylContact O-C 3.57Å; A146-V223 VanDerWaalsContact O-CA 3.3Å; A146-V223 WeakPolarHBondContact O-CA 3.4Å; V148-V223 HydrophobicContact CG2-CG1 3.89Å; V192-V223 HydrophobicContact CG1-CB 4.21Å; V192-V223 HydrophobicContact CG1-CG1 3.54Å; V192-V223 HydrophobicContact CG1-CG2 3.57Å; L194-V223 HydrophobicContact CD2-CB 4.37Å; L194-V223 HydrophobicContact CD2-CG1 4.07Å; A197-V223 HydrophobicContact CB-CB 4.39Å; A197-V223 HydrophobicContact CB-CG2 3.99Å; L221-V223 HydrophobicContact CD2-CG2 4.29Å; L221-V223 HydrophobicContact CG-CG2 4.05Å |
| 224 | E | 81.5 | Confident | 69.2 | Low | 35 Ų | 35 | 67 Ų | 67 | 16% | 0.164 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.1 | -177.6 | -61.2 | -178.7 | -168.7 | 0 | 0 | 111.5 | A146 K147 V148 H222 Q354 | A146-E224 PolarHBondContact O-N 2.84Å; K147-E224 CarbonylContact C-O 3.54Å; K147-E224 VanDerWaalsContact CA-O 3.3Å; K147-E224 WeakPolarHBondContact CA-O 3.43Å; V148-E224 PolarHBondContact N-O 2.85Å; H222-E224 IonicContact CD2-OE1 3.66Å; E224-Q354 PolarHBondContact OE2-NE2 2.99Å; E224-Q354 PolarHBondContact OE2-OE1 3.34Å |
| 225 | G | 72.6 | Confident | 66.7 | Low | 52 Ų | 52 | 64.8 Ų | 64.8 | 54% | 0.536 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 135.4 | 170.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 226 | S | 68.1 | Low | 64.1 | Low | 91 Ų | 91 | 70.7 Ų | 70.7 | 64% | 0.636 | 45% | 0.449 | S | S | * | . | trans | -100.9 | 137.8 | 169.1 | 60.6 | 0 | 0 | 0 | 0 | 109.7 | S228 | S226-S228 VanDerWaalsContact C-N 3.31Å; S226-S228 PolarHBondContact O-N 2.81Å | ||
| 227 | D | 56 | Low | 61.4 | Low | 94 Ų | 94 | 76.4 Ų | 76.4 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | trans | -62.7 | 92.7 | 169.5 | -92.5 | -27 | 0 | 0 | 0 | 109.3 | A229 | D227-A229 PolarHBondContact O-N 2.83Š| ||
| 228 | S | 52.8 | Low | 58.6 | Low | 114 Ų | 114 | 81 Ų | 81 | 80% | 0.797 | 51% | 0.512 | S | S | * | . | trans | -77.8 | 68.3 | 169.7 | -68.2 | 0 | 0 | 0 | 0 | 109.3 | S226 | S226-S228 VanDerWaalsContact C-N 3.31Å; S226-S228 PolarHBondContact O-N 2.81Å | ||
| 229 | A | 49.6 | Very low | 55.9 | Low | 83 Ų | 83 | 90 Ų | 90 | 69% | 0.686 | 55% | 0.551 | S | S | * | * | trans | -160.2 | 60.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111 | D227 | D227-A229 PolarHBondContact O-N 2.83Š| ||
| 230 | V | 40.5 | Very low | 53.7 | Low | 120 Ų | 120 | 94 Ų | 94 | 73% | 0.727 | 58% | 0.578 | S | S | * | * | trans | -124.1 | 80.4 | 149.4 | -168.1 | 0 | 0 | 0 | 0 | 107.8 | T232 | V230-T232 VanDerWaalsContact CG1-OG1 3.22Å; V230-T232 WeakPolarHBondContact CG1-OG1 3.16Å; V230-T232 PolarHBondContact O-N 3.11Å | ||
| 231 | T | 37.3 | Very low | 51.3 | Low | 136 Ų | 136 | 96.8 Ų | 96.8 | 83% | 0.834 | 60% | 0.603 | S | S | * | * | trans | -62.3 | 85.1 | 155.6 | -56.2 | 0 | 0 | 0 | 0 | 107.1 | S233 | T231-S233 PolarHBondContact O-N 2.81Š| ||
| 232 | T | 32.8 | Very low | 48.9 | Very low | 99 Ų | 99 | 100.5 Ų | 100.5 | 61% | 0.607 | 64% | 0.642 | S | S | * | * | trans | -85.1 | 92.8 | 160.7 | -48.8 | 0 | 0 | 0 | 0 | 106.1 | V230 V234 | V230-T232 VanDerWaalsContact CG1-OG1 3.22Å; V230-T232 WeakPolarHBondContact CG1-OG1 3.16Å; V230-T232 PolarHBondContact O-N 3.11Å; T232-V234 VanDerWaalsContact C-N 3.26Å; T232-V234 HydrophobicContact CG2-CG2 3.95Å; T232-V234 PolarHBondContact O-N 3.36Å | ||
| 233 | S | 40.8 | Very low | 46.5 | Very low | 104 Ų | 104 | 101.4 Ų | 101.4 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | -60.2 | 95.9 | 156.5 | 51.8 | 0 | 0 | 0 | 0 | 107.2 | T231 P235 | T231-S233 PolarHBondContact O-N 2.81Å; S233-P235 WeakPolarHBondContact O-CD 3.15Å | ||
| 234 | V | 38.2 | Very low | 44.1 | Very low | 117 Ų | 117 | 104.2 Ų | 104.2 | 71% | 0.709 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 119.8 | 170.7 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | T232 | T232-V234 VanDerWaalsContact C-N 3.26Å; T232-V234 HydrophobicContact CG2-CG2 3.95Å; T232-V234 PolarHBondContact O-N 3.36Å |
| 235 | P | 39.3 | Very low | 41.9 | Very low | 108 Ų | 108 | 111.4 Ų | 111.4 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 136.2 | 167 | 30.4 | -25.9 | 0 | 0 | 0 | 109.1 | S233 V237 | S233-P235 WeakPolarHBondContact O-CD 3.15Å; P235-V237 PolarHBondContact O-N 2.93Å |
| 236 | V | 36.6 | Very low | 40.3 | Very low | 125 Ų | 125 | 115.2 Ų | 115.2 | 76% | 0.758 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 122.4 | 169.1 | 172.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 237 | V | 36.1 | Very low | 38.8 | Very low | 140 Ų | 140 | 116 Ų | 116 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | -130.8 | 116.1 | 150.1 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | P235 | P235-V237 PolarHBondContact O-N 2.93Š| ||
| 238 | T | 33.2 | Very low | 38 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | trans | -83.1 | 150 | 179.7 | -44.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 239 | K | 31.7 | Very low | 37.4 | Very low | 189 Ų | 189 | 116.7 Ų | 116.7 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 99.6 | 158.9 | 147.3 | -118 | -166.4 | -178.1 | 178.5 | 0 | 117.9 | ||||
| 240 | P | 41.9 | Very low | 36.9 | Very low | 96 Ų | 96 | 118.6 Ų | 118.6 | 62% | 0.623 | 77% | 0.766 | S | S | * | * | -129.6 | 171.3 | -83.2 | 41.8 | -27.5 | 0 | 0 | 0 | 114.6 | |||||
| 241 | S | 35.8 | Very low | 36.9 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | 44.9 | 113 | 147 | 59.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 242 | G | 33.9 | Very low | 37 | Very low | 82 Ų | 82 | 118.6 Ų | 118.6 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | -162.4 | 127.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 243 | A | 33.9 | Very low | 37.2 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | trans | -83.8 | 149.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 244 | G | 32.7 | Very low | 37.5 | Very low | 68 Ų | 68 | 120.6 Ų | 120.6 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 96.5 | 95.7 | 139.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 245 | Q | 36.8 | Very low | 38.3 | Very low | 187 Ų | 187 | 119.7 Ų | 119.7 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -172.3 | 130.1 | 131.6 | -120.7 | 153.1 | -51 | 0 | 0 | 111.1 | S247 | Q245-S247 PolarHBondContact O-N 2.79Š| ||
| 246 | P | 38.4 | Very low | 39.7 | Very low | 132 Ų | 132 | 121.5 Ų | 121.5 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | -85.2 | 96.3 | 170.1 | 31.5 | -27.5 | 0 | 0 | 0 | 109.3 | S248 | P246-S248 PolarHBondContact O-N 2.83Š| ||
| 247 | S | 35.7 | Very low | 41.6 | Very low | 108 Ų | 108 | 120.3 Ų | 120.3 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | -75.9 | 114.4 | 159.7 | 50.2 | 0 | 0 | 0 | 0 | 108.3 | Q245 S249 | Q245-S247 PolarHBondContact O-N 2.79Å; S247-S249 PolarHBondContact O-N 2.89Å | ||
| 248 | S | 39.9 | Very low | 43.9 | Very low | 119 Ų | 119 | 119.4 Ų | 119.4 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | -39.8 | 98.5 | 169.1 | 165.1 | 0 | 0 | 0 | 0 | 111.7 | P246 T250 | P246-S248 PolarHBondContact O-N 2.83Å; S248-T250 PolarHBondContact O-N 3.1Å | ||
| 249 | S | 41.3 | Very low | 46.6 | Very low | 103 Ų | 103 | 117.3 Ų | 117.3 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | trans | -74.9 | 112.5 | 166.9 | 44.9 | 0 | 0 | 0 | 0 | 108.1 | S247 L251 | S247-S249 PolarHBondContact O-N 2.89Å; S249-L251 PolarHBondContact O-N 2.91Å; S249-L251 VanDerWaalsContact O-N 3.08Å | ||
| 250 | T | 38.3 | Very low | 49.6 | Very low | 123 Ų | 123 | 108.4 Ų | 108.4 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | trans | -48.4 | 117.1 | 156.2 | 27.5 | 0 | 0 | 0 | 0 | 107.8 | S248 S252 | S248-T250 PolarHBondContact O-N 3.1Å; T250-S252 VanDerWaalsContact C-N 3.26Å; T250-S252 PolarHBondContact O-N 3.47Å | ||
| 251 | L | 39.9 | Very low | 52.1 | Low | 152 Ų | 152 | 107.4 Ų | 107.4 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | trans | -62.3 | 90.9 | 173.7 | -152.4 | 86.9 | 0 | 0 | 0 | 107.2 | S249 T253 | S249-L251 PolarHBondContact O-N 2.91Å; S249-L251 VanDerWaalsContact O-N 3.08Å; L251-T253 HydrophobicContact CD2-CG2 4.46Å; L251-T253 PolarHBondContact O-N 3.35Å | ||
| 252 | S | 39.8 | Very low | 54.9 | Low | 104 Ų | 104 | 102.8 Ų | 102.8 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | trans | -63.3 | 92.6 | 163.5 | -61.7 | 0 | 0 | 0 | 0 | 105.9 | T250 V254 | T250-S252 VanDerWaalsContact C-N 3.26Å; T250-S252 PolarHBondContact O-N 3.47Å; S252-V254 VanDerWaalsContact C-N 3.26Å; S252-V254 PolarHBondContact O-N 2.88Å | ||
| 253 | T | 38 | Very low | 57.7 | Low | 119 Ų | 119 | 102.1 Ų | 102.1 | 73% | 0.73 | 63% | 0.632 | S | S | * | * | trans | -56.7 | 99.1 | 165.6 | 31.9 | 0 | 0 | 0 | 0 | 106.7 | L251 S255 | L251-T253 HydrophobicContact CD2-CG2 4.46Å; L251-T253 PolarHBondContact O-N 3.35Å; T253-S255 PolarHBondContact O-N 3.35Å | ||
| 254 | V | 45.5 | Very low | 60.5 | Low | 125 Ų | 125 | 98.8 Ų | 98.8 | 76% | 0.758 | 60% | 0.602 | S | S | * | * | trans | -58.1 | 95.8 | 164.9 | 177.8 | 0 | 0 | 0 | 0 | 105.1 | S252 I256 | S252-V254 VanDerWaalsContact C-N 3.26Å; S252-V254 PolarHBondContact O-N 2.88Å; V254-I256 PolarHBondContact O-N 3.32Å | ||
| 255 | S | 56.5 | Low | 63.4 | Low | 98 Ų | 98 | 95.7 Ų | 95.7 | 69% | 0.685 | 57% | 0.569 | S | S | * | * | trans | -66.1 | 100.9 | 175.8 | -178.3 | 0 | 0 | 0 | 0 | 106.8 | T253 M257 | T253-S255 PolarHBondContact O-N 3.35Å; S255-M257 VanDerWaalsContact C-N 3.35Å; S255-M257 PolarHBondContact O-N 3.21Å | ||
| 256 | I | 68.9 | Low | 65.9 | Low | 146 Ų | 146 | 92.6 Ų | 92.6 | 75% | 0.749 | 56% | 0.558 | S | S | * | * | trans | -61.8 | 98.7 | 176.5 | -60.6 | 172.4 | 0 | 0 | 0 | 107.1 | V254 K258 | V254-I256 PolarHBondContact O-N 3.32Å; I256-K258 PolarHBondContact O-N 2.75Å | ||
| 257 | M | 75.1 | Confident | 68.5 | Low | 101 Ų | 101 | 91.5 Ų | 91.5 | 50% | 0.498 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 123.5 | 177 | -71 | 147.1 | 160.5 | 0 | 0 | 108.4 | S255 L291 T356 G357 | S255-M257 VanDerWaalsContact C-N 3.35Å; S255-M257 PolarHBondContact O-N 3.21Å; M257-L291 HydrophobicContact CB-CD1 4.27Å; M257-L291 HydrophobicContact CG-CD1 4.34Å; M257-T356 PolarHBondContact SD-OG1 3.37Å; M257-T356 VanDerWaalsContact SD-OG1 3.37Å; M257-G357 VanDerWaalsContact O-CA 3.28Å; M257-G357 WeakPolarHBondContact O-CA 3.38Å |
| 258 | K | 85.3 | Confident | 71 | Confident | 121 Ų | 121 | 88.9 Ų | 88.9 | 53% | 0.526 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 144.3 | -179.6 | -67.5 | 179 | -178.6 | 174.4 | 0 | 110.7 | I256 N355 | I256-K258 PolarHBondContact O-N 2.75Å; K258-N355 PolarHBondContact O-ND2 3.01Å; K258-N355 PolarHBondContact O-OD1 2.9Å |
| 259 | P | 89.8 | Confident | 73.4 | Confident | 66 Ų | 66 | 85.1 Ų | 85.1 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 153.6 | 173.9 | 26.6 | -33.6 | 0 | 0 | 0 | 111.1 | ||
| 260 | P | 93.5 | Very high | 75.8 | Confident | 1 Ų | 1 | 85 Ų | 85 | 1% | 0.006 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 146.3 | 175.1 | 20.2 | -5.9 | 0 | 0 | 0 | 109.7 | V285 T295 T353 N355 G358 | P260-V285 HydrophobicContact CB-CG1 3.61Å; P260-T295 HydrophobicContact CB-CG2 3.76Å; P260-T295 HydrophobicContact CG-CG2 3.85Å; P260-T353 HydrophobicContact CB-CG2 4.06Å; P260-T353 HydrophobicContact CG-CG2 3.96Å; P260-N355 VanDerWaalsContact CD-CG 3.45Å; P260-N355 WeakPolarHBondContact CD-OD1 3.43Å; P260-N355 HydrophobicContact CG-CB 3.99Å; P260-G358 WeakPolarHBondContact CD-O 3.45Å |
| 261 | V | 94.4 | Very high | 78.2 | Confident | 76 Ų | 76 | 81.4 Ų | 81.4 | 46% | 0.461 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.2 | -176.7 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | V263 V285 V286 | V261-V263 PolarHBondContact O-N 3.01Å; V261-V285 CarbonylContact O-C 3.51Å; V261-V285 VanDerWaalsContact O-CA 3.32Å; V261-V285 WeakPolarHBondContact O-CA 3.5Å; V261-V286 PolarHBondContact N-O 3.09Å; V261-V286 PolarHBondContact O-N 2.99Å |
| 262 | I | 95.6 | Very high | 80.6 | Confident | 19 Ų | 19 | 79.5 Ų | 79.5 | 10% | 0.097 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 120.5 | 171.7 | -56.5 | 173.6 | 0 | 0 | 0 | 107.8 | S264 V285 C351 T353 Q360 V362 | I262-S264 WeakPolarHBondContact CG2-O 3.42Å; I262-V285 HydrophobicContact CG1-CG2 4.19Å; I262-C351 HydrophobicContact CD1-CB 4.42Å; I262-C351 WeakPolarHBondContact CD1-O 3.31Å; I262-T353 HydrophobicContact CD1-CG2 3.92Å; I262-T353 HydrophobicContact CG1-CG2 3.49Å; I262-T353 VanDerWaalsContact CG1-CG2 3.49Å; I262-Q360 HydrophobicContact CD1-CB 4.44Å; I262-Q360 HydrophobicContact CD1-CG 4.06Å; I262-Q360 HydrophobicContact CG1-CB 4.49Å; I262-Q360 HydrophobicContact CG1-CG 4.11Å; I262-V362 HydrophobicContact CB-CG2 3.96Å; I262-V362 HydrophobicContact CD1-CB 3.95Å; I262-V362 HydrophobicContact CD1-CG2 3.78Å; I262-V362 HydrophobicContact CG1-CG2 4.44Å; I262-V362 HydrophobicContact CG2-CB 4.3Å; I262-V362 HydrophobicContact CG2-CG2 3.91Å |
| 263 | V | 92.7 | Very high | 82.8 | Confident | 68 Ų | 68 | 75 Ų | 75 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -22.3 | 176.1 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | V261 Q284 V286 | V261-V263 PolarHBondContact O-N 3.01Å; V263-Q284 HydrophobicContact CG2-CB 3.53Å; V263-Q284 VanDerWaalsContact CG2-O 3.29Å; V263-Q284 WeakPolarHBondContact CG2-O 3.26Å; V263-Q284 PolarHBondContact N-O 2.75Å; V263-V286 HydrophobicContact CG1-CB 4.36Å; V263-V286 HydrophobicContact CG1-CG2 3.7Å; V263-V286 HydrophobicContact CG2-CG2 4.14Å |
| 264 | S | 92 | Very high | 84.8 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 27% | 0.266 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 141.6 | 170.4 | 176.5 | 0 | 0 | 0 | 0 | 108.7 | I262 C283 Q284 | I262-S264 WeakPolarHBondContact CG2-O 3.42Å; S264-C283 CarbonylContact O-C 3.57Å; S264-C283 VanDerWaalsContact O-CA 3.27Å; S264-C283 WeakPolarHBondContact O-CA 3.36Å; S264-Q284 PolarHBondContact N-O 3.44Å; S264-Q284 PolarHBondContact O-N 2.8Å |
| 265 | P | 93.9 | Very high | 86.4 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.019 | 37% | 0.373 | C | S | . | . | S | Bend | cis | -69.9 | 171.4 | -5.9 | 31.4 | -35.8 | 0 | 0 | 0 | 112.5 | F271 W299 V362 T364 | P265-F271 HydrophobicContact CB-CE2 4.14Å; P265-F271 HydrophobicContact CB-CZ 4Å; P265-W299 HydrophobicContact CG-CH2 3.91Å; P265-V362 HydrophobicContact CG-CG1 3.88Å; P265-V362 WeakPolarHBondContact O-CG1 3.32Å; P265-T364 HydrophobicContact CB-CG2 3.54Å; P265-T364 HydrophobicContact CG-CG2 3.45Å; P265-T364 VanDerWaalsContact CG-CG2 3.45Å |
| 266 | I | 89.6 | Confident | 87.2 | Confident | 123 Ų | 123 | 62.5 Ų | 62.5 | 63% | 0.631 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -87.4 | 145.5 | 172 | -58.6 | 173 | 0 | 0 | 0 | 108.4 | G268 T269 | I266-G268 PolarHBondContact O-N 3.12Å; I266-T269 PolarHBondContact N-OG1 2.99Å; I266-T269 VanDerWaalsContact O-CB 3.29Å; I266-T269 WeakPolarHBondContact O-CB 3.42Å; I266-T269 PolarHBondContact O-N 2.83Å; I266-T269 PolarHBondContact O-OG1 2.9Å |
| 267 | D | 93 | Very high | 87.6 | Confident | 108 Ų | 108 | 56.2 Ų | 56.2 | 58% | 0.578 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 130.4 | 177.5 | -160 | 35.8 | 0 | 0 | 0 | 112.2 | T269 V362 V363 | D267-T269 VanDerWaalsContact C-N 3.34Å; D267-V362 HydrophobicContact CB-CG1 4.28Å; D267-V362 HydrophobicContact CB-CG2 4.44Å; D267-V363 PolarHBondContact OD1-N 3.26Å |
| 268 | G | 88.9 | Confident | 88 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 56% | 0.557 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 9.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I266 I270 V363 | I266-G268 PolarHBondContact O-N 3.12Å; G268-I270 PolarHBondContact O-N 3.07Å; G268-V363 PolarHBondContact N-O 3.44Å |
| 269 | T | 89.9 | Confident | 88.2 | Confident | 40 Ų | 40 | 48.4 Ų | 48.4 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 133.1 | 174.3 | -57 | 0 | 0 | 0 | 0 | 110.2 | I266 D267 F271 T364 M365 | I266-T269 PolarHBondContact N-OG1 2.99Å; I266-T269 VanDerWaalsContact O-CB 3.29Å; I266-T269 WeakPolarHBondContact O-CB 3.42Å; I266-T269 PolarHBondContact O-N 2.83Å; I266-T269 PolarHBondContact O-OG1 2.9Å; D267-T269 VanDerWaalsContact C-N 3.34Å; T269-F271 HydrophobicContact CG2-CD1 4.49Å; T269-F271 HydrophobicContact CG2-CD2 4.36Å; T269-F271 HydrophobicContact CG2-CE1 4.08Å; T269-F271 HydrophobicContact CG2-CE2 3.95Å; T269-F271 HydrophobicContact CG2-CZ 3.79Å; T269-T364 VanDerWaalsContact O-CA 3.29Å; T269-T364 WeakPolarHBondContact O-CA 3.36Å; T269-T364 WeakPolarHBondContact O-CB 3.37Å; T269-M365 PolarHBondContact O-N 3.15Å |
| 270 | I | 91.4 | Very high | 88.2 | Confident | 99 Ų | 99 | 49.1 Ų | 49.1 | 51% | 0.508 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 119 | 173.5 | -57.8 | 172.7 | 0 | 0 | 0 | 107.7 | G268 M365 R367 | G268-I270 PolarHBondContact O-N 3.07Å; I270-M365 CarbonylContact C-O 3.47Å; I270-M365 WeakPolarHBondContact CA-O 3.29Å; I270-R367 HydrophobicContact CG2-CB 3.58Å |
| 271 | F | 89.6 | Confident | 88.1 | Confident | 49 Ų | 49 | 49.2 Ų | 49.2 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 123.4 | 173.6 | -69.3 | -73.9 | 0 | 0 | 0 | 109.4 | P265 T269 L279 L281 M349 T364 M365 L366 R367 | P265-F271 HydrophobicContact CB-CE2 4.14Å; P265-F271 HydrophobicContact CB-CZ 4Å; T269-F271 HydrophobicContact CG2-CD1 4.49Å; T269-F271 HydrophobicContact CG2-CD2 4.36Å; T269-F271 HydrophobicContact CG2-CE1 4.08Å; T269-F271 HydrophobicContact CG2-CE2 3.95Å; T269-F271 HydrophobicContact CG2-CZ 3.79Å; F271-L279 HydrophobicContact CB-CD2 4.2Å; F271-L281 HydrophobicContact CB-CD2 4.27Å; F271-L281 HydrophobicContact CD1-CD2 3.54Å; F271-L281 HydrophobicContact CD2-CD1 3.94Å; F271-L281 HydrophobicContact CD2-CD2 3.64Å; F271-L281 HydrophobicContact CD2-CG 4.49Å; F271-L281 HydrophobicContact CE1-CD2 3.67Å; F271-L281 HydrophobicContact CE2-CD1 4.08Å; F271-L281 HydrophobicContact CE2-CD2 3.74Å; F271-L281 HydrophobicContact CE2-CG 4.5Å; F271-L281 HydrophobicContact CG-CD2 3.53Å; F271-L281 HydrophobicContact CZ-CD2 3.77Å; F271-M349 HydrophobicContact CD2-CE 4.35Å; F271-T364 HydrophobicContact CE2-CG2 3.94Å; F271-M365 PolarHBondContact N-O 3.01Å; F271-L366 WeakPolarHBondContact O-CD1 3.44Å; F271-R367 PolarHBondContact O-N 3.1Å |
| 272 | E | 89.6 | Confident | 88.1 | Confident | 112 Ų | 112 | 48.7 Ų | 48.7 | 52% | 0.523 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.8 | 176.4 | -66.7 | -173.6 | 160.6 | 0 | 0 | 109.7 | R367 | E272-R367 VanDerWaalsContact CA-O 3.31Å; E272-R367 WeakPolarHBondContact CA-O 3.4Å; E272-R367 HydrophobicContact CG-CB 4.17Å; E272-R367 HydrophobicContact CG-CG 4.43Å; E272-R367 WeakPolarHBondContact OE1-CD 3.43Å; E272-R367 IonicContact OE1-CZ 3.49Å; E272-R367 IonicContact OE1-NE 3.48Å; E272-R367 IonicContact OE1-NH1 2.84Å; E272-R367 PolarHBondContact OE1-NH1 2.65Å |
| 273 | S | 84.9 | Confident | 88 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 140 | -179.5 | -168.1 | 0 | 0 | 0 | 0 | 110.6 | S277 I340 R367 L368 E369 | S273-S277 PolarHBondContact OG-OG 3.38Å; S273-I340 WeakPolarHBondContact OG-CG1 3.05Å; S273-R367 PolarHBondContact N-O 3.45Å; S273-L368 WeakPolarHBondContact O-CA 3.16Å; S273-E369 PolarHBondContact O-N 3.38Å |
| 274 | S | 80.1 | Confident | 88.2 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | trans | -72.6 | 156.4 | 176.5 | -29 | 0 | 0 | 0 | 0 | 110.9 | G276 S277 E369 | S274-G276 PolarHBondContact O-N 3.3Å; S274-S277 PolarHBondContact O-N 2.6Å; S274-S277 PolarHBondContact O-OG 2.83Å; S274-E369 PolarHBondContact OG-OE2 2.96Å | ||
| 275 | H | 78.8 | Confident | 88.3 | Confident | 50 Ų | 50 | 45.3 Ų | 45.3 | 23% | 0.231 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 132.4 | 177 | -178.7 | -87.8 | 0 | 0 | 0 | 111.7 | R20 S277 L368 | R20-H275 HydrophobicContact CB-CB 4.09Å; R20-H275 VanDerWaalsContact CD-CG 3.46Å; R20-H275 HydrophobicContact CG-CB 4.42Å; H275-S277 PolarHBondContact O-N 2.84Å; H275-L368 HydrophobicContact CB-CD2 4.36Å |
| 276 | G | 74.6 | Confident | 88.3 | Confident | 11 Ų | 11 | 46.6 Ų | 46.6 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 3.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L22 S274 I340 | L22-G276 WeakPolarHBondContact CD2-O 3.19Å; S274-G276 PolarHBondContact O-N 3.3Å; G276-I340 VanDerWaalsContact CA-O 3.28Å; G276-I340 WeakPolarHBondContact CA-O 3.35Å; G276-I340 PolarHBondContact N-O 3.36Å |
| 277 | S | 77.7 | Confident | 88.5 | Confident | 15 Ų | 15 | 41 Ų | 41 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | trans | -75.9 | 153 | 168.3 | 73.7 | 0 | 0 | 0 | 0 | 110.9 | S273 S274 H275 A339 I340 | S273-S277 PolarHBondContact OG-OG 3.38Å; S274-S277 PolarHBondContact O-N 2.6Å; S274-S277 PolarHBondContact O-OG 2.83Å; H275-S277 PolarHBondContact O-N 2.84Å; S277-A339 CarbonylContact O-C 3.58Å; S277-A339 VanDerWaalsContact O-CA 3.29Å; S277-A339 WeakPolarHBondContact O-CA 3.41Å; S277-I340 PolarHBondContact O-N 3.02Å | ||
| 278 | G | 82.8 | Confident | 88.4 | Confident | 36 Ų | 36 | 39 Ų | 39 | 37% | 0.371 | 22% | 0.22 | S | C | . | . | trans | -73.5 | 149.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I337 S338 | G278-I337 CarbonylContact C-O 3.59Å; G278-I337 WeakPolarHBondContact CA-O 3.47Å; G278-S338 WeakPolarHBondContact CA-O 3.49Å | ||
| 279 | L | 89.2 | Confident | 88.2 | Confident | 21 Ų | 21 | 37.7 Ų | 37.7 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.2 | 172.5 | -179.9 | 63.3 | 0 | 0 | 0 | 108.7 | F271 L281 I336 I337 I340 L366 | F271-L279 HydrophobicContact CB-CD2 4.2Å; L279-L281 HydrophobicContact CD1-CD2 3.94Å; L279-L281 HydrophobicContact CD2-CD1 4.4Å; L279-L281 HydrophobicContact CD2-CD2 4.04Å; L279-L281 HydrophobicContact CD2-CG 4.3Å; L279-L281 HydrophobicContact CG-CD2 3.83Å; L279-L281 HydrophobicContact CG-CG 4.13Å; L279-I336 CarbonylContact O-C 3.43Å; L279-I336 WeakPolarHBondContact O-CA 3.46Å; L279-I337 PolarHBondContact N-O 2.79Å; L279-I337 PolarHBondContact O-N 2.88Å; L279-I340 HydrophobicContact CB-CD1 3.91Å; L279-I340 HydrophobicContact CB-CG1 4.19Å; L279-I340 HydrophobicContact CD2-CD1 4.34Å; L279-L366 HydrophobicContact CD2-CD1 3.51Å |
| 280 | E | 90.1 | Very high | 88.1 | Confident | 81 Ų | 81 | 44.7 Ų | 44.7 | 38% | 0.379 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.5 | 175.7 | -178.6 | 174.1 | -149.3 | 0 | 0 | 109.4 | F282 R334 I336 | E280-F282 VanDerWaalsContact CD-CZ 3.42Å; E280-F282 HydrophobicContact CG-CE1 4.41Å; E280-F282 HydrophobicContact CG-CE2 3.8Å; E280-F282 HydrophobicContact CG-CZ 3.7Å; E280-R334 WeakPolarHBondContact OE1-CD 3.36Å; E280-R334 IonicContact OE1-CZ 3.39Å; E280-R334 IonicContact OE1-NE 2.96Å; E280-R334 IonicContact OE1-NH1 3.73Å; E280-R334 PolarHBondContact OE1-NH1 3.49Å; E280-I336 HydrophobicContact CB-CG1 4.25Å; E280-I336 HydrophobicContact CG-CD1 4.48Å; E280-I336 HydrophobicContact CG-CG1 3.9Å |
| 281 | L | 91.9 | Very high | 87.9 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.8 | 178.2 | -55.7 | -172.6 | 0 | 0 | 0 | 110.1 | F271 L279 W299 R334 F335 M349 | F271-L281 HydrophobicContact CB-CD2 4.27Å; F271-L281 HydrophobicContact CD1-CD2 3.54Å; F271-L281 HydrophobicContact CD2-CD1 3.94Å; F271-L281 HydrophobicContact CD2-CD2 3.64Å; F271-L281 HydrophobicContact CD2-CG 4.49Å; F271-L281 HydrophobicContact CE1-CD2 3.67Å; F271-L281 HydrophobicContact CE2-CD1 4.08Å; F271-L281 HydrophobicContact CE2-CD2 3.74Å; F271-L281 HydrophobicContact CE2-CG 4.5Å; F271-L281 HydrophobicContact CG-CD2 3.53Å; F271-L281 HydrophobicContact CZ-CD2 3.77Å; L279-L281 HydrophobicContact CD1-CD2 3.94Å; L279-L281 HydrophobicContact CD2-CD1 4.4Å; L279-L281 HydrophobicContact CD2-CD2 4.04Å; L279-L281 HydrophobicContact CD2-CG 4.3Å; L279-L281 HydrophobicContact CG-CD2 3.83Å; L279-L281 HydrophobicContact CG-CG 4.13Å; L281-W299 HydrophobicContact CB-CH2 3.89Å; L281-W299 HydrophobicContact CB-CZ2 3.91Å; L281-W299 HydrophobicContact CD1-CH2 4.14Å; L281-W299 HydrophobicContact CD1-CZ3 4.27Å; L281-R334 WeakPolarHBondContact O-CA 3.2Å; L281-F335 HydrophobicContact CB-CB 4.41Å; L281-F335 HydrophobicContact CB-CD1 4.42Å; L281-F335 HydrophobicContact CD1-CD1 4.06Å; L281-F335 HydrophobicContact CG-CD1 4.45Å; L281-F335 PolarHBondContact N-O 2.91Å; L281-F335 PolarHBondContact O-N 2.77Å; L281-M349 HydrophobicContact CD1-CE 3.89Å; L281-M349 HydrophobicContact CD1-SD 3.58Å; L281-M349 VanDerWaalsContact CD1-SD 3.58Å |
| 282 | F | 93.3 | Very high | 87.7 | Confident | 66 Ų | 66 | 38.8 Ų | 38.8 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 124.2 | 179.2 | -61.6 | -89 | 0 | 0 | 0 | 110.1 | E280 Q284 E332 R334 | E280-F282 VanDerWaalsContact CD-CZ 3.42Å; E280-F282 HydrophobicContact CG-CE1 4.41Å; E280-F282 HydrophobicContact CG-CE2 3.8Å; E280-F282 HydrophobicContact CG-CZ 3.7Å; F282-Q284 HydrophobicContact CB-CG 4.49Å; F282-E332 HydrophobicContact CD1-CG 3.89Å; F282-R334 HydrophobicContact CD1-CG 3.89Å; F282-R334 HydrophobicContact CE1-CG 3.75Å |
| 283 | C | 94.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 108.7 | 164.1 | -167.6 | 0 | 0 | 0 | 0 | 109.6 | S264 V297 W299 E332 V333 C351 | S264-C283 CarbonylContact O-C 3.57Å; S264-C283 VanDerWaalsContact O-CA 3.27Å; S264-C283 WeakPolarHBondContact O-CA 3.36Å; C283-V297 HydrophobicContact CB-CG1 4.14Å; C283-W299 HydrophobicContact CB-CZ2 3.72Å; C283-E332 WeakPolarHBondContact O-CA 3.25Å; C283-V333 PolarHBondContact N-O 3.36Å; C283-V333 PolarHBondContact O-N 3.23Å; C283-C351 HydrophobicContact CB-CB 3.77Å; C283-C351 WeakPolarHBondContact CB-SG 3.45Å; C283-C351 WeakPolarHBondContact SG-CB 3.05Å; C283-C351 CovalentContact SG-SG 2Å; C283-C351 PolarHBondContact SG-SG 2.85Å |
| 284 | Q | 95.1 | Very high | 87.3 | Confident | 53 Ų | 53 | 40.8 Ų | 40.8 | 25% | 0.248 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.3 | 177.2 | -65.6 | -179.2 | -13.1 | 0 | 0 | 109 | V263 S264 F282 I331 E332 | V263-Q284 HydrophobicContact CG2-CB 3.53Å; V263-Q284 VanDerWaalsContact CG2-O 3.29Å; V263-Q284 WeakPolarHBondContact CG2-O 3.26Å; V263-Q284 PolarHBondContact N-O 2.75Å; S264-Q284 PolarHBondContact N-O 3.44Å; S264-Q284 PolarHBondContact O-N 2.8Å; F282-Q284 HydrophobicContact CB-CG 4.49Å; Q284-I331 CarbonylContact C-O 3.58Å; Q284-I331 WeakPolarHBondContact CA-O 3.34Å; Q284-E332 HydrophobicContact CG-CG 4.19Å; Q284-E332 PolarHBondContact NE2-OE2 3.44Å |
| 285 | V | 95.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.1 | -174.2 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | P260 V261 I262 T295 V297 Q330 I331 T353 | P260-V285 HydrophobicContact CB-CG1 3.61Å; V261-V285 CarbonylContact O-C 3.51Å; V261-V285 VanDerWaalsContact O-CA 3.32Å; V261-V285 WeakPolarHBondContact O-CA 3.5Å; I262-V285 HydrophobicContact CG1-CG2 4.19Å; V285-T295 HydrophobicContact CG1-CG2 4.46Å; V285-V297 HydrophobicContact CB-CG2 4.14Å; V285-V297 HydrophobicContact CG1-CG2 4.48Å; V285-V297 HydrophobicContact CG2-CG1 3.86Å; V285-V297 HydrophobicContact CG2-CG2 3.83Å; V285-Q330 CarbonylContact O-C 3.53Å; V285-Q330 VanDerWaalsContact O-CA 3.3Å; V285-Q330 WeakPolarHBondContact O-CA 3.37Å; V285-I331 HydrophobicContact CB-CB 4.43Å; V285-I331 PolarHBondContact N-O 2.76Å; V285-I331 PolarHBondContact O-N 2.69Å; V285-T353 HydrophobicContact CG1-CG2 3.9Å; V285-T353 HydrophobicContact CG2-CG2 4.08Å |
| 286 | V | 93.9 | Very high | 88.2 | Confident | 30 Ų | 30 | 38.9 Ų | 38.9 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128 | 174.9 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | V261 V263 R328 Q330 | V261-V286 PolarHBondContact N-O 3.09Å; V261-V286 PolarHBondContact O-N 2.99Å; V263-V286 HydrophobicContact CG1-CB 4.36Å; V263-V286 HydrophobicContact CG1-CG2 3.7Å; V263-V286 HydrophobicContact CG2-CG2 4.14Å; V286-R328 HydrophobicContact CG1-CB 3.9Å; V286-R328 HydrophobicContact CG1-CG 4.48Å; V286-Q330 HydrophobicContact CG2-CB 4.46Å; V286-Q330 HydrophobicContact CG2-CG 4.43Å |
| 287 | T | 93.6 | Very high | 89.2 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 169 | 178.9 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | A292 T295 C329 I331 N355 | T287-A292 HydrophobicContact CG2-CB 4.06Å; T287-T295 HydrophobicContact CG2-CG2 4.42Å; T287-T295 PolarHBondContact OG1-OG1 2.77Å; T287-C329 PolarHBondContact N-O 2.69Å; T287-C329 PolarHBondContact O-N 3.05Å; T287-C329 VanDerWaalsContact O-O 3.1Å; T287-I331 HydrophobicContact CG2-CD1 3.79Å; T287-I331 HydrophobicContact CG2-CG1 4.28Å; T287-N355 PolarHBondContact OG1-ND2 2.76Å |
| 288 | E | 91 | Very high | 89.9 | Confident | 66 Ų | 66 | 40.5 Ų | 40.5 | 31% | 0.308 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 137.4 | 172.7 | -65.4 | -61.1 | 157.7 | 0 | 0 | 109.5 | Q290 L291 A292 R328 | E288-Q290 PolarHBondContact O-N 3.4Å; E288-Q290 VanDerWaalsContact O-N 3.1Å; E288-L291 HydrophobicContact CB-CD1 4.46Å; E288-L291 CarbonylContact O-C 3.52Å; E288-L291 WeakPolarHBondContact O-CA 3.49Å; E288-L291 PolarHBondContact O-N 2.85Å; E288-A292 PolarHBondContact O-N 2.87Å; E288-R328 IonicContact OE1-CZ 3.6Å; E288-R328 IonicContact OE1-NE 2.69Å; E288-R328 PolarHBondContact OE1-NE 3.18Å; E288-R328 IonicContact OE1-NH2 3.61Å |
| 289 | C | 85.3 | Confident | 90.5 | Very high | 28 Ų | 28 | 38.9 Ų | 38.9 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -29.6 | -174 | -76.3 | 0 | 0 | 0 | 0 | 114.1 | L291 A292 C329 | C289-L291 PolarHBondContact O-N 3.39Å; C289-A292 WeakPolarHBondContact O-CB 3.27Å; C289-A292 PolarHBondContact O-N 2.83Å; C289-C329 WeakPolarHBondContact CA-SG 3.48Å; C289-C329 HydrophobicContact CB-CB 3.97Å; C289-C329 WeakPolarHBondContact CB-SG 3.18Å; C289-C329 WeakPolarHBondContact SG-CB 3.47Å; C289-C329 PolarHBondContact SG-N 2.86Å; C289-C329 CovalentContact SG-SG 2.05Å; C289-C329 PolarHBondContact SG-SG 2.89Å |
| 290 | Q | 86.6 | Confident | 90.7 | Very high | 187 Ų | 187 | 39.8 Ų | 39.8 | 87% | 0.874 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -27.4 | 176 | -58.5 | 179.9 | 24.2 | 0 | 0 | 112.5 | E288 | E288-Q290 PolarHBondContact O-N 3.4Å; E288-Q290 VanDerWaalsContact O-N 3.1Å |
| 291 | L | 87.6 | Confident | 91 | Very high | 20 Ų | 20 | 36 Ų | 36 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -7.8 | 179.3 | -63.8 | 173.9 | 0 | 0 | 0 | 112.2 | M257 E288 C289 D293 S294 T295 | M257-L291 HydrophobicContact CB-CD1 4.27Å; M257-L291 HydrophobicContact CG-CD1 4.34Å; E288-L291 HydrophobicContact CB-CD1 4.46Å; E288-L291 CarbonylContact O-C 3.52Å; E288-L291 WeakPolarHBondContact O-CA 3.49Å; E288-L291 PolarHBondContact O-N 2.85Å; C289-L291 PolarHBondContact O-N 3.39Å; L291-D293 PolarHBondContact O-N 2.03Å; L291-D293 VanDerWaalsContact O-N 3.1Å; L291-S294 PolarHBondContact O-N 2.76Å; L291-S294 VanDerWaalsContact O-N 3.1Å; L291-S294 PolarHBondContact O-OG 3Å; L291-T295 WeakPolarHBondContact O-CB 3.28Å; L291-T295 PolarHBondContact O-N 3.24Å; L291-T295 PolarHBondContact O-OG1 2.77Å |
| 292 | A | 85.8 | Confident | 91.1 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -39.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T287 E288 C289 R320 V322 C329 I331 | T287-A292 HydrophobicContact CG2-CB 4.06Å; E288-A292 PolarHBondContact O-N 2.87Å; C289-A292 WeakPolarHBondContact O-CB 3.27Å; C289-A292 PolarHBondContact O-N 2.83Å; A292-R320 PolarHBondContact O-NH2 3.32Å; A292-V322 HydrophobicContact CB-CG1 4.14Å; A292-C329 HydrophobicContact CB-CB 3.76Å; A292-I331 HydrophobicContact CB-CD1 4.43Å; A292-I331 VanDerWaalsContact O-CD1 3.29Å; A292-I331 WeakPolarHBondContact O-CD1 3.44Å |
| 293 | D | 82.7 | Confident | 90.8 | Very high | 104 Ų | 104 | 39 Ų | 39 | 56% | 0.556 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -26 | -176.7 | -88.3 | -23.9 | 0 | 0 | 0 | 116 | K138 L291 R320 | K138-D293 VanDerWaalsContact NZ-CA 3.28Å; K138-D293 PolarHBondContact NZ-O 2.8Å; K138-D293 IonicContact NZ-OD1 2.6Å; K138-D293 PolarHBondContact NZ-OD1 2.89Å; K138-D293 IonicContact NZ-OD2 3.3Å; L291-D293 PolarHBondContact O-N 2.03Å; L291-D293 VanDerWaalsContact O-N 3.1Å; D293-R320 IonicContact OD1-NH2 3.18Å |
| 294 | S | 83.1 | Confident | 90.5 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -7.1 | 175.6 | 56.3 | 0 | 0 | 0 | 0 | 113 | L291 A296 | L291-S294 PolarHBondContact O-N 2.76Å; L291-S294 VanDerWaalsContact O-N 3.1Å; L291-S294 PolarHBondContact O-OG 3Å; S294-A296 PolarHBondContact O-N 2.73Å |
| 295 | T | 86.8 | Confident | 90.2 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | trans | -76.4 | 112.8 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 109.4 | P260 V285 T287 L291 V297 I331 T353 Q354 N355 | P260-T295 HydrophobicContact CB-CG2 3.76Å; P260-T295 HydrophobicContact CG-CG2 3.85Å; V285-T295 HydrophobicContact CG1-CG2 4.46Å; T287-T295 HydrophobicContact CG2-CG2 4.42Å; T287-T295 PolarHBondContact OG1-OG1 2.77Å; L291-T295 WeakPolarHBondContact O-CB 3.28Å; L291-T295 PolarHBondContact O-N 3.24Å; L291-T295 PolarHBondContact O-OG1 2.77Å; T295-V297 HydrophobicContact CG2-CG2 4.35Å; T295-I331 HydrophobicContact CG2-CD1 3.84Å; T295-T353 WeakPolarHBondContact CG2-OG1 3.46Å; T295-Q354 CarbonylContact C-O 3.58Å; T295-Q354 WeakPolarHBondContact CA-O 3.39Å; T295-N355 HydrophobicContact CG2-CB 4.31Å; T295-N355 WeakPolarHBondContact OG1-CB 3.42Å | ||
| 296 | A | 91.3 | Very high | 89.8 | Confident | 26 Ų | 26 | 44.2 Ų | 44.2 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 140.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | S294 T353 Q354 | S294-A296 PolarHBondContact O-N 2.73Å; A296-T353 CarbonylContact O-C 3.59Å; A296-T353 WeakPolarHBondContact O-CA 3.28Å; A296-T353 WeakPolarHBondContact O-CB 3.4Å; A296-T353 PolarHBondContact O-OG1 3.05Å; A296-Q354 PolarHBondContact N-O 3.13Å; A296-Q354 PolarHBondContact O-N 3.49Å |
| 297 | V | 94.4 | Very high | 89.3 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 9% | 0.085 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 119 | 174.7 | -175.5 | 0 | 0 | 0 | 0 | 107.6 | C283 V285 T295 I331 V333 V352 | C283-V297 HydrophobicContact CB-CG1 4.14Å; V285-V297 HydrophobicContact CB-CG2 4.14Å; V285-V297 HydrophobicContact CG1-CG2 4.48Å; V285-V297 HydrophobicContact CG2-CG1 3.86Å; V285-V297 HydrophobicContact CG2-CG2 3.83Å; T295-V297 HydrophobicContact CG2-CG2 4.35Å; V297-I331 HydrophobicContact CG2-CB 4.36Å; V297-I331 HydrophobicContact CG2-CD1 4.39Å; V297-I331 HydrophobicContact CG2-CG2 3.95Å; V297-V333 HydrophobicContact CB-CB 4.48Å; V297-V333 HydrophobicContact CB-CG2 3.74Å; V297-V333 HydrophobicContact CG1-CB 3.97Å; V297-V333 HydrophobicContact CG1-CG2 3.75Å; V297-V352 CarbonylContact C-O 3.58Å; V297-V352 WeakPolarHBondContact CA-O 3.37Å |
| 298 | T | 93.3 | Very high | 88.7 | Confident | 45 Ų | 45 | 50.8 Ų | 50.8 | 28% | 0.276 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 159.6 | -176.2 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | V352 | T298-V352 PolarHBondContact N-O 3.36Å; T298-V352 PolarHBondContact O-N 3.09Å |
| 299 | W | 95.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 138.9 | 172.7 | -74.4 | 89.2 | 0 | 0 | 0 | 109.9 | P265 L281 C283 V306 Q317 F335 M349 K350 C351 | P265-W299 HydrophobicContact CG-CH2 3.91Å; L281-W299 HydrophobicContact CB-CH2 3.89Å; L281-W299 HydrophobicContact CB-CZ2 3.91Å; L281-W299 HydrophobicContact CD1-CH2 4.14Å; L281-W299 HydrophobicContact CD1-CZ3 4.27Å; C283-W299 HydrophobicContact CB-CZ2 3.72Å; W299-V306 HydrophobicContact CB-CG2 4.18Å; W299-Q317 PolarHBondContact O-OE1 3.31Å; W299-F335 HydrophobicContact CB-CB 4.35Å; W299-F335 HydrophobicContact CB-CD2 4.18Å; W299-F335 HydrophobicContact CB-CG 4.2Å; W299-F335 HydrophobicContact CD2-CB 3.71Å; W299-F335 HydrophobicContact CD2-CD1 4.18Å; W299-F335 HydrophobicContact CD2-CG 4.04Å; W299-F335 HydrophobicContact CE3-CD1 4.18Å; W299-F335 HydrophobicContact CE3-CG 4.49Å; W299-F335 HydrophobicContact CG-CB 3.62Å; W299-F335 HydrophobicContact CG-CD1 4.47Å; W299-F335 HydrophobicContact CG-CD2 4.34Å; W299-F335 AromaticContact CG-CG 3.92Å; W299-F335 HydrophobicContact CG-CG 3.92Å; W299-F335 HydrophobicContact CZ2-CB 4.3Å; W299-M349 HydrophobicContact CE3-CB 4.33Å; W299-M349 HydrophobicContact CZ3-CB 4.12Å; W299-K350 CarbonylContact C-O 3.53Å; W299-K350 WeakPolarHBondContact CA-O 3.29Å; W299-C351 HydrophobicContact CD2-CB 4.3Å; W299-C351 HydrophobicContact CE3-CB 4.25Å; W299-C351 HydrophobicContact CH2-CB 4.29Å; W299-C351 HydrophobicContact CZ2-CB 4.32Å; W299-C351 HydrophobicContact CZ3-CB 4.24Å |
| 300 | L | 94.2 | Very high | 88.8 | Confident | 41 Ų | 41 | 51 Ų | 51 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 143 | 171.2 | -57.6 | 177.6 | 0 | 0 | 0 | 109.5 | Q304 M349 K350 V352 | L300-Q304 CarbonylContact C-O 3.52Å; L300-Q304 WeakPolarHBondContact CA-O 3.44Å; L300-Q304 WeakPolarHBondContact CB-O 3.34Å; L300-M349 WeakPolarHBondContact O-CA 3.33Å; L300-K350 HydrophobicContact CB-CB 4.29Å; L300-K350 HydrophobicContact CD1-CD 4.49Å; L300-K350 PolarHBondContact N-O 3.39Å; L300-K350 PolarHBondContact O-N 3.36Å; L300-V352 HydrophobicContact CD1-CG2 3.7Å; L300-V352 HydrophobicContact CG-CG2 4.08Å |
| 301 | V | 95.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 115.5 | 177.1 | 179.6 | 0 | 0 | 0 | 0 | 107 | G303 Q304 V306 Y310 L311 F335 T347 | V301-G303 PolarHBondContact O-N 3.49Å; V301-G303 VanDerWaalsContact O-N 3.13Å; V301-Q304 PolarHBondContact N-O 3.39Å; V301-Q304 PolarHBondContact O-N 3.09Å; V301-V306 HydrophobicContact CG2-CG2 4.21Å; V301-Y310 HydrophobicContact CG1-CD1 4.32Å; V301-Y310 HydrophobicContact CG1-CE1 3.81Å; V301-L311 HydrophobicContact CB-CD1 4.36Å; V301-L311 HydrophobicContact CG1-CD1 3.59Å; V301-L311 HydrophobicContact CG1-CG 3.87Å; V301-L311 HydrophobicContact CG2-CD1 3.85Å; V301-F335 HydrophobicContact CG2-CE2 4.25Å; V301-F335 HydrophobicContact CG2-CZ 3.72Å; V301-T347 HydrophobicContact CG1-CG2 3.8Å |
| 302 | N | 93 | Very high | 88.5 | Confident | 85 Ų | 85 | 44.5 Ų | 44.5 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 38.5 | -174.6 | -60.6 | -28.6 | 0 | 0 | 0 | 112.7 | Q304 E348 | N302-Q304 VanDerWaalsContact C-N 3.29Å; N302-Q304 PolarHBondContact O-N 3.05Å; N302-E348 PolarHBondContact N-O 2.98Å; N302-E348 PolarHBondContact OD1-N 3.48Å; N302-E348 VanDerWaalsContact OD1-N 3.08Å |
| 303 | G | 87.6 | Confident | 88.2 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -2.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | V301 | V301-G303 PolarHBondContact O-N 3.49Å; V301-G303 VanDerWaalsContact O-N 3.13Å |
| 304 | Q | 89.2 | Confident | 88.3 | Confident | 101 Ų | 101 | 51.2 Ų | 51.2 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 157.2 | 176.4 | -67.3 | -179 | -20.8 | 0 | 0 | 111.2 | L300 V301 N302 S308 | L300-Q304 CarbonylContact C-O 3.52Å; L300-Q304 WeakPolarHBondContact CA-O 3.44Å; L300-Q304 WeakPolarHBondContact CB-O 3.34Å; V301-Q304 PolarHBondContact N-O 3.39Å; V301-Q304 PolarHBondContact O-N 3.09Å; N302-Q304 VanDerWaalsContact C-N 3.29Å; N302-Q304 PolarHBondContact O-N 3.05Å; Q304-S308 PolarHBondContact OE1-O 3Å |
| 305 | S | 88.4 | Confident | 88.6 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 38% | 0.378 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 155 | 169 | 79.6 | 0 | 0 | 0 | 0 | 110.4 | E307 S308 S309 | S305-E307 VanDerWaalsContact C-N 3.29Å; S305-E307 PolarHBondContact O-N 3.07Å; S305-S308 PolarHBondContact N-OG 3.01Å; S305-S308 VanDerWaalsContact N-OG 3.11Å; S305-S308 PolarHBondContact O-N 3.04Å; S305-S308 VanDerWaalsContact O-N 3.12Å; S305-S308 PolarHBondContact O-OG 3.3Å; S305-S308 WeakPolarHBondContact OG-CB 3.42Å; S305-S308 PolarHBondContact OG-N 3.08Å; S305-S308 PolarHBondContact OG-OG 3.48Å; S305-S309 WeakPolarHBondContact O-CB 3.29Å; S305-S309 PolarHBondContact O-N 2.86Å |
| 306 | V | 87.6 | Confident | 88.5 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -54.5 | -46.6 | 180 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | W299 V301 S308 S309 D312 A315 Q317 F335 | W299-V306 HydrophobicContact CB-CG2 4.18Å; V301-V306 HydrophobicContact CG2-CG2 4.21Å; V306-S308 VanDerWaalsContact C-N 3.31Å; V306-S308 PolarHBondContact O-N 3.34Å; V306-S309 PolarHBondContact O-N 3.01Å; V306-S309 PolarHBondContact O-OG 3.1Å; V306-D312 WeakPolarHBondContact O-CA 3.49Å; V306-D312 PolarHBondContact O-N 2.85Å; V306-A315 HydrophobicContact CG1-CB 3.94Å; V306-A315 WeakPolarHBondContact CG1-O 3.29Å; V306-Q317 HydrophobicContact CG2-CB 4.18Å; V306-F335 HydrophobicContact CB-CE2 4.31Å; V306-F335 HydrophobicContact CG1-CE2 3.79Å; V306-F335 HydrophobicContact CG2-CD2 3.9Å; V306-F335 HydrophobicContact CG2-CE2 3.48Å; V306-F335 VanDerWaalsContact CG2-CE2 3.48Å; V306-F335 HydrophobicContact CG2-CZ 4.41Å |
| 307 | E | 83.9 | Confident | 88.5 | Confident | 103 Ų | 103 | 53.2 Ų | 53.2 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -67.8 | -25.1 | -179.2 | -60.8 | -177.8 | 173.8 | 0 | 0 | 113.8 | S305 D312 | S305-E307 VanDerWaalsContact C-N 3.29Å; S305-E307 PolarHBondContact O-N 3.07Å; E307-D312 VanDerWaalsContact CA-OD1 3.31Å; E307-D312 WeakPolarHBondContact CA-OD1 3.5Å; E307-D312 VanDerWaalsContact O-CB 3.26Å; E307-D312 WeakPolarHBondContact O-CB 3.29Å |
| 308 | S | 79.4 | Confident | 87.8 | Confident | 70 Ų | 70 | 53.6 Ų | 53.6 | 49% | 0.49 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -94.1 | -7.7 | 176.8 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | Q304 S305 V306 | Q304-S308 PolarHBondContact OE1-O 3Å; S305-S308 PolarHBondContact N-OG 3.01Å; S305-S308 VanDerWaalsContact N-OG 3.11Å; S305-S308 PolarHBondContact O-N 3.04Å; S305-S308 VanDerWaalsContact O-N 3.12Å; S305-S308 PolarHBondContact O-OG 3.3Å; S305-S308 WeakPolarHBondContact OG-CB 3.42Å; S305-S308 PolarHBondContact OG-N 3.08Å; S305-S308 PolarHBondContact OG-OG 3.48Å; V306-S308 VanDerWaalsContact C-N 3.31Å; V306-S308 PolarHBondContact O-N 3.34Å |
| 309 | S | 89.8 | Confident | 86.8 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -87.3 | 169 | -176.1 | 76.6 | 0 | 0 | 0 | 0 | 111.8 | S305 V306 L311 D312 | S305-S309 WeakPolarHBondContact O-CB 3.29Å; S305-S309 PolarHBondContact O-N 2.86Å; V306-S309 PolarHBondContact O-N 3.01Å; V306-S309 PolarHBondContact O-OG 3.1Å; S309-L311 PolarHBondContact O-N 3.39Å; S309-L311 WeakPolarHBondContact OG-CB 3.31Å; S309-L311 PolarHBondContact OG-N 2.99Å; S309-L311 VanDerWaalsContact OG-N 3.08Å; S309-D312 WeakPolarHBondContact O-CB 3.38Å; S309-D312 PolarHBondContact O-N 2.84Å |
| 310 | Y | 89.5 | Confident | 86.4 | Confident | 89 Ų | 89 | 57.8 Ų | 57.8 | 35% | 0.349 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -13.2 | 170.3 | 84 | -78.4 | 0 | 0 | 0 | 113.1 | V301 D344 T347 | V301-Y310 HydrophobicContact CG1-CD1 4.32Å; V301-Y310 HydrophobicContact CG1-CE1 3.81Å; Y310-D344 VanDerWaalsContact CE2-OD1 3.23Å; Y310-D344 WeakPolarHBondContact CE2-OD1 3.29Å; Y310-D344 PolarHBondContact OH-OD1 3.25Å; Y310-T347 HydrophobicContact CE1-CG2 4.25Å; Y310-T347 PolarHBondContact OH-OG1 3.49Å |
| 311 | L | 89 | Confident | 86.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -5.9 | 175.5 | -60.1 | -169.9 | 0 | 0 | 0 | 114.9 | V301 S309 R313 R314 A315 F335 I337 | V301-L311 HydrophobicContact CB-CD1 4.36Å; V301-L311 HydrophobicContact CG1-CD1 3.59Å; V301-L311 HydrophobicContact CG1-CG 3.87Å; V301-L311 HydrophobicContact CG2-CD1 3.85Å; S309-L311 PolarHBondContact O-N 3.39Å; S309-L311 WeakPolarHBondContact OG-CB 3.31Å; S309-L311 PolarHBondContact OG-N 2.99Å; S309-L311 VanDerWaalsContact OG-N 3.08Å; L311-R313 VanDerWaalsContact C-N 3.32Å; L311-R313 PolarHBondContact O-N 2.67Å; L311-R314 HydrophobicContact CB-CG 4.32Å; L311-R314 HydrophobicContact CD2-CG 3.94Å; L311-R314 VanDerWaalsContact CD2-CZ 3.41Å; L311-R314 CarbonylContact O-C 3.57Å; L311-R314 WeakPolarHBondContact O-CG 3.2Å; L311-R314 PolarHBondContact O-N 3.5Å; L311-A315 HydrophobicContact CB-CB 3.68Å; L311-A315 HydrophobicContact CD1-CB 4.23Å; L311-A315 PolarHBondContact O-N 2.84Å; L311-F335 HydrophobicContact CD1-CZ 4.11Å; L311-I337 HydrophobicContact CD1-CD1 4.05Å; L311-I337 HydrophobicContact CD1-CG1 4.41Å |
| 312 | D | 78.2 | Confident | 85.8 | Confident | 70 Ų | 70 | 64.5 Ų | 64.5 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.3 | -52.3 | -174.3 | 171.8 | 46.7 | 0 | 0 | 0 | 114.8 | V306 E307 S309 R314 | V306-D312 WeakPolarHBondContact O-CA 3.49Å; V306-D312 PolarHBondContact O-N 2.85Å; E307-D312 VanDerWaalsContact CA-OD1 3.31Å; E307-D312 WeakPolarHBondContact CA-OD1 3.5Å; E307-D312 VanDerWaalsContact O-CB 3.26Å; E307-D312 WeakPolarHBondContact O-CB 3.29Å; S309-D312 WeakPolarHBondContact O-CB 3.38Å; S309-D312 PolarHBondContact O-N 2.84Å; D312-R314 VanDerWaalsContact C-N 3.3Å; D312-R314 PolarHBondContact O-N 3.17Å |
| 313 | R | 80.7 | Confident | 85.6 | Confident | 229 Ų | 229 | 62.9 Ų | 62.9 | 86% | 0.864 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -4 | -176 | -60.9 | -174.2 | 179 | -169.5 | 0.4 | 114.9 | L311 | L311-R313 VanDerWaalsContact C-N 3.32Å; L311-R313 PolarHBondContact O-N 2.67Å |
| 314 | R | 85 | Confident | 85.7 | Confident | 19 Ų | 19 | 70 Ų | 70 | 7% | 0.072 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.8 | -2.6 | -169.3 | 65.8 | -173.9 | -134.6 | 92 | 48.3 | 113.4 | R57 L311 D312 I337 S338 A339 T341 D344 | R57-R314 VanDerWaalsContact NH1-CB 3.29Å; L311-R314 HydrophobicContact CB-CG 4.32Å; L311-R314 HydrophobicContact CD2-CG 3.94Å; L311-R314 VanDerWaalsContact CD2-CZ 3.41Å; L311-R314 CarbonylContact O-C 3.57Å; L311-R314 WeakPolarHBondContact O-CG 3.2Å; L311-R314 PolarHBondContact O-N 3.5Å; D312-R314 VanDerWaalsContact C-N 3.3Å; D312-R314 PolarHBondContact O-N 3.17Å; R314-I337 VanDerWaalsContact NH2-CG2 3.29Å; R314-I337 CarbonylContact O-C 3.42Å; R314-I337 WeakPolarHBondContact O-CA 3.42Å; R314-S338 PolarHBondContact O-N 3.04Å; R314-S338 PolarHBondContact O-OG 2.88Å; R314-A339 PolarHBondContact NH1-O 2.9Å; R314-A339 PolarHBondContact NH2-O 3.36Å; R314-T341 PolarHBondContact NH1-OG1 2.72Å; R314-D344 IonicContact CZ-OD1 3.96Å; R314-D344 IonicContact CZ-OD2 3.66Å; R314-D344 IonicContact NE-OD1 2.8Å; R314-D344 IonicContact NH1-OD1 2.84Å; R314-D344 IonicContact NH1-OD2 3.85Å; R314-D344 PolarHBondContact NH1-OD2 3.4Å; R314-D344 IonicContact NH2-OD1 2.76Å; R314-D344 PolarHBondContact NH2-OD1 2.89Å; R314-D344 IonicContact NH2-OD2 2.88Å; R314-D344 PolarHBondContact NH2-OD2 3.23Å |
| 315 | A | 87.9 | Confident | 85.3 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 2% | 0.017 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 143 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V306 L311 F335 I336 I337 | V306-A315 HydrophobicContact CG1-CB 3.94Å; V306-A315 WeakPolarHBondContact CG1-O 3.29Å; L311-A315 HydrophobicContact CB-CB 3.68Å; L311-A315 HydrophobicContact CD1-CB 4.23Å; L311-A315 PolarHBondContact O-N 2.84Å; A315-F335 HydrophobicContact CB-CE2 3.63Å; A315-F335 HydrophobicContact CB-CZ 3.88Å; A315-I336 CarbonylContact C-O 3.51Å; A315-I336 WeakPolarHBondContact CA-O 3.36Å; A315-I337 HydrophobicContact CB-CB 4.48Å; A315-I337 HydrophobicContact CB-CG1 4.04Å |
| 316 | L | 85.5 | Confident | 84.4 | Confident | 65 Ų | 65 | 72.1 Ų | 72.1 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.7 | -177 | -63 | 167.4 | 0 | 0 | 0 | 108.2 | V38 I54 F335 I336 | V38-L316 HydrophobicContact CG2-CB 3.91Å; V38-L316 HydrophobicContact CG2-CD1 3.61Å; V38-L316 HydrophobicContact CG2-CG 4.37Å; I54-L316 HydrophobicContact CD1-CD1 4.41Å; L316-F335 WeakPolarHBondContact O-CA 3.38Å; L316-I336 PolarHBondContact N-O 2.93Å; L316-I336 PolarHBondContact O-N 3.37Å |
| 317 | Q | 90.3 | Very high | 83.9 | Confident | 62 Ų | 62 | 74.6 Ų | 74.6 | 29% | 0.29 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 134.7 | 169.2 | -178.1 | -171.1 | -55.8 | 0 | 0 | 108.8 | W299 V306 V333 R334 F335 | W299-Q317 PolarHBondContact O-OE1 3.31Å; V306-Q317 HydrophobicContact CG2-CB 4.18Å; Q317-V333 HydrophobicContact CG-CG1 3.91Å; Q317-R334 WeakPolarHBondContact CA-O 3.45Å; Q317-F335 HydrophobicContact CB-CD2 4.47Å |
| 318 | G | 79.4 | Confident | 84.1 | Confident | 23 Ų | 23 | 74.7 Ų | 74.7 | 24% | 0.237 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.6 | -163 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R334 | G318-R334 PolarHBondContact N-O 3.17Å; G318-R334 WeakPolarHBondContact O-CB 3.37Å; G318-R334 PolarHBondContact O-N 3Å |
| 319 | G | 74.1 | Confident | 84.6 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 39% | 0.392 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.8 | 43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R321 | G319-R321 PolarHBondContact O-N 2.66Å; G319-R321 VanDerWaalsContact O-N 3.09Å |
| 320 | R | 85.7 | Confident | 84.8 | Confident | 97 Ų | 97 | 73.3 Ų | 73.3 | 37% | 0.366 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 111.4 | 178.4 | -178.5 | 176.7 | 175 | -87.8 | 1.1 | 110.4 | A292 D293 I331 E332 V333 | A292-R320 PolarHBondContact O-NH2 3.32Å; D293-R320 IonicContact OD1-NH2 3.18Å; R320-I331 HydrophobicContact CG-CG2 4.03Å; R320-E332 CarbonylContact C-O 3.42Å; R320-E332 WeakPolarHBondContact CA-O 2.94Å; R320-V333 HydrophobicContact CB-CG2 4.29Å; R320-V333 HydrophobicContact CG-CG2 4.28Å |
| 321 | R | 87.9 | Confident | 85 | Confident | 123 Ų | 123 | 69 Ų | 69 | 46% | 0.464 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.1 | 177 | -174.4 | 173.6 | 68.4 | 175.5 | 1.9 | 110.2 | G319 T323 I331 E332 | G319-R321 PolarHBondContact O-N 2.66Å; G319-R321 VanDerWaalsContact O-N 3.09Å; R321-T323 HydrophobicContact CG-CG2 4.3Å; R321-I331 CarbonylContact O-C 3.58Å; R321-I331 WeakPolarHBondContact O-CA 3.45Å; R321-E332 HydrophobicContact CB-CB 4.4Å; R321-E332 IonicContact CZ-OE1 3.99Å; R321-E332 IonicContact CZ-OE2 3.93Å; R321-E332 PolarHBondContact N-O 2.78Å; R321-E332 IonicContact NE-OE1 3.46Å; R321-E332 IonicContact NE-OE2 3.36Å; R321-E332 IonicContact NH2-OE1 3.65Å; R321-E332 PolarHBondContact NH2-OE1 2.85Å; R321-E332 IonicContact NH2-OE2 2.88Å; R321-E332 PolarHBondContact NH2-OE2 3.32Å; R321-E332 PolarHBondContact O-N 2.89Å |
| 322 | V | 89.6 | Confident | 85.2 | Confident | 59 Ų | 59 | 69.5 Ų | 69.5 | 36% | 0.358 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.3 | 176.5 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | A292 C329 Q330 I331 | A292-V322 HydrophobicContact CB-CG1 4.14Å; V322-C329 HydrophobicContact CG1-CB 4.06Å; V322-Q330 CarbonylContact C-O 3.52Å; V322-Q330 WeakPolarHBondContact CA-O 3.23Å; V322-I331 HydrophobicContact CG2-CG1 4.28Å |
| 323 | T | 87.9 | Confident | 85.7 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.1 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 110 | R321 C329 Q330 | R321-T323 HydrophobicContact CG-CG2 4.3Å; T323-C329 CarbonylContact O-C 3.48Å; T323-C329 WeakPolarHBondContact O-CA 3.44Å; T323-Q330 PolarHBondContact N-O 3.5Å; T323-Q330 PolarHBondContact O-N 3.08Å |
| 324 | R | 89.6 | Confident | 86.2 | Confident | 197 Ų | 197 | 59.4 Ų | 59.4 | 74% | 0.743 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 123.2 | 174.6 | -179.1 | 177.7 | -87.5 | -177.2 | -4.5 | 109 | R328 | R324-R328 CarbonylContact C-O 3.55Å |
| 325 | V | 82.3 | Confident | 86.6 | Confident | 72 Ų | 72 | 58.5 Ų | 58.5 | 44% | 0.436 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 114.6 | -179.2 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | G327 R328 Q330 | V325-G327 VanDerWaalsContact C-N 3.29Å; V325-G327 PolarHBondContact O-N 2.6Å; V325-G327 VanDerWaalsContact O-N 3.12Å; V325-R328 CarbonylContact C-O 3.57Å; V325-R328 PolarHBondContact N-O 3.41Å; V325-R328 PolarHBondContact O-N 3.01Å; V325-Q330 HydrophobicContact CG2-CB 4.35Å |
| 326 | S | 69.7 | Low | 86.8 | Confident | 129 Ų | 129 | 59.4 Ų | 59.4 | 90% | 0.902 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 42.1 | 170.8 | -55.4 | 0 | 0 | 0 | 0 | 115.1 | R328 | S326-R328 VanDerWaalsContact C-N 3.33Å; S326-R328 PolarHBondContact O-N 2.85Å |
| 327 | G | 77.3 | Confident | 87.1 | Confident | 58 Ų | 58 | 56.3 Ų | 56.3 | 60% | 0.598 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | -8.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V325 | V325-G327 VanDerWaalsContact C-N 3.29Å; V325-G327 PolarHBondContact O-N 2.6Å; V325-G327 VanDerWaalsContact O-N 3.12Å |
| 328 | R | 87.7 | Confident | 86.6 | Confident | 105 Ų | 105 | 54.2 Ų | 54.2 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 167 | 170.1 | -67.2 | -167.2 | 173.5 | -179 | 7.9 | 111.1 | V286 E288 R324 V325 S326 | V286-R328 HydrophobicContact CG1-CB 3.9Å; V286-R328 HydrophobicContact CG1-CG 4.48Å; E288-R328 IonicContact OE1-CZ 3.6Å; E288-R328 IonicContact OE1-NE 2.69Å; E288-R328 PolarHBondContact OE1-NE 3.18Å; E288-R328 IonicContact OE1-NH2 3.61Å; R324-R328 CarbonylContact C-O 3.55Å; V325-R328 CarbonylContact C-O 3.57Å; V325-R328 PolarHBondContact N-O 3.41Å; V325-R328 PolarHBondContact O-N 3.01Å; S326-R328 VanDerWaalsContact C-N 3.33Å; S326-R328 PolarHBondContact O-N 2.85Å |
| 329 | C | 89.8 | Confident | 86.7 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.9 | 176.2 | -79.9 | 0 | 0 | 0 | 0 | 109.4 | T287 C289 A292 V322 T323 | T287-C329 PolarHBondContact N-O 2.69Å; T287-C329 PolarHBondContact O-N 3.05Å; T287-C329 VanDerWaalsContact O-O 3.1Å; C289-C329 WeakPolarHBondContact CA-SG 3.48Å; C289-C329 HydrophobicContact CB-CB 3.97Å; C289-C329 WeakPolarHBondContact CB-SG 3.18Å; C289-C329 WeakPolarHBondContact SG-CB 3.47Å; C289-C329 PolarHBondContact SG-N 2.86Å; C289-C329 CovalentContact SG-SG 2.05Å; C289-C329 PolarHBondContact SG-SG 2.89Å; A292-C329 HydrophobicContact CB-CB 3.76Å; V322-C329 HydrophobicContact CG1-CB 4.06Å; T323-C329 CarbonylContact O-C 3.48Å; T323-C329 WeakPolarHBondContact O-CA 3.44Å |
| 330 | Q | 93.9 | Very high | 87.3 | Confident | 40 Ų | 40 | 51.5 Ų | 51.5 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.7 | 174 | -178.4 | 174.5 | -50.8 | 0 | 0 | 108.5 | V285 V286 V322 T323 V325 | V285-Q330 CarbonylContact O-C 3.53Å; V285-Q330 VanDerWaalsContact O-CA 3.3Å; V285-Q330 WeakPolarHBondContact O-CA 3.37Å; V286-Q330 HydrophobicContact CG2-CB 4.46Å; V286-Q330 HydrophobicContact CG2-CG 4.43Å; V322-Q330 CarbonylContact C-O 3.52Å; V322-Q330 WeakPolarHBondContact CA-O 3.23Å; T323-Q330 PolarHBondContact N-O 3.5Å; T323-Q330 PolarHBondContact O-N 3.08Å; V325-Q330 HydrophobicContact CG2-CB 4.35Å |
| 331 | I | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.5 | 175.6 | -52.5 | 172.5 | 0 | 0 | 0 | 106.9 | Q284 V285 T287 A292 T295 V297 R320 R321 V322 V333 | Q284-I331 CarbonylContact C-O 3.58Å; Q284-I331 WeakPolarHBondContact CA-O 3.34Å; V285-I331 HydrophobicContact CB-CB 4.43Å; V285-I331 PolarHBondContact N-O 2.76Å; V285-I331 PolarHBondContact O-N 2.69Å; T287-I331 HydrophobicContact CG2-CD1 3.79Å; T287-I331 HydrophobicContact CG2-CG1 4.28Å; A292-I331 HydrophobicContact CB-CD1 4.43Å; A292-I331 VanDerWaalsContact O-CD1 3.29Å; A292-I331 WeakPolarHBondContact O-CD1 3.44Å; T295-I331 HydrophobicContact CG2-CD1 3.84Å; V297-I331 HydrophobicContact CG2-CB 4.36Å; V297-I331 HydrophobicContact CG2-CD1 4.39Å; V297-I331 HydrophobicContact CG2-CG2 3.95Å; R320-I331 HydrophobicContact CG-CG2 4.03Å; R321-I331 CarbonylContact O-C 3.58Å; R321-I331 WeakPolarHBondContact O-CA 3.45Å; V322-I331 HydrophobicContact CG2-CG1 4.28Å; I331-V333 HydrophobicContact CG2-CG2 4.33Å |
| 332 | E | 93.2 | Very high | 87.1 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.6 | 176.1 | -175.8 | -177.7 | 107.7 | 0 | 0 | 108.7 | F282 C283 Q284 R320 R321 | F282-E332 HydrophobicContact CD1-CG 3.89Å; C283-E332 WeakPolarHBondContact O-CA 3.25Å; Q284-E332 HydrophobicContact CG-CG 4.19Å; Q284-E332 PolarHBondContact NE2-OE2 3.44Å; R320-E332 CarbonylContact C-O 3.42Å; R320-E332 WeakPolarHBondContact CA-O 2.94Å; R321-E332 HydrophobicContact CB-CB 4.4Å; R321-E332 IonicContact CZ-OE1 3.99Å; R321-E332 IonicContact CZ-OE2 3.93Å; R321-E332 PolarHBondContact N-O 2.78Å; R321-E332 IonicContact NE-OE1 3.46Å; R321-E332 IonicContact NE-OE2 3.36Å; R321-E332 IonicContact NH2-OE1 3.65Å; R321-E332 PolarHBondContact NH2-OE1 2.85Å; R321-E332 IonicContact NH2-OE2 2.88Å; R321-E332 PolarHBondContact NH2-OE2 3.32Å; R321-E332 PolarHBondContact O-N 2.89Å |
| 333 | V | 90.6 | Very high | 86.9 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129.5 | 173.9 | 177.5 | 0 | 0 | 0 | 0 | 109.2 | C283 V297 Q317 R320 I331 | C283-V333 PolarHBondContact N-O 3.36Å; C283-V333 PolarHBondContact O-N 3.23Å; V297-V333 HydrophobicContact CB-CB 4.48Å; V297-V333 HydrophobicContact CB-CG2 3.74Å; V297-V333 HydrophobicContact CG1-CB 3.97Å; V297-V333 HydrophobicContact CG1-CG2 3.75Å; Q317-V333 HydrophobicContact CG-CG1 3.91Å; R320-V333 HydrophobicContact CB-CG2 4.29Å; R320-V333 HydrophobicContact CG-CG2 4.28Å; I331-V333 HydrophobicContact CG2-CG2 4.33Å |
| 334 | R | 90.9 | Very high | 87 | Confident | 82 Ų | 82 | 50.1 Ų | 50.1 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 144.4 | -177.8 | -57.4 | -176.9 | -179.7 | -164.8 | 6.2 | 110.7 | E280 L281 F282 Q317 G318 | E280-R334 WeakPolarHBondContact OE1-CD 3.36Å; E280-R334 IonicContact OE1-CZ 3.39Å; E280-R334 IonicContact OE1-NE 2.96Å; E280-R334 IonicContact OE1-NH1 3.73Å; E280-R334 PolarHBondContact OE1-NH1 3.49Å; L281-R334 WeakPolarHBondContact O-CA 3.2Å; F282-R334 HydrophobicContact CD1-CG 3.89Å; F282-R334 HydrophobicContact CE1-CG 3.75Å; Q317-R334 WeakPolarHBondContact CA-O 3.45Å; G318-R334 PolarHBondContact N-O 3.17Å; G318-R334 WeakPolarHBondContact O-CB 3.37Å; G318-R334 PolarHBondContact O-N 3Å |
| 335 | F | 93.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 117.3 | 169.1 | 175.5 | -118.4 | 0 | 0 | 0 | 108.3 | L281 W299 V301 V306 L311 A315 L316 Q317 I337 M349 | L281-F335 HydrophobicContact CB-CB 4.41Å; L281-F335 HydrophobicContact CB-CD1 4.42Å; L281-F335 HydrophobicContact CD1-CD1 4.06Å; L281-F335 HydrophobicContact CG-CD1 4.45Å; L281-F335 PolarHBondContact N-O 2.91Å; L281-F335 PolarHBondContact O-N 2.77Å; W299-F335 HydrophobicContact CB-CB 4.35Å; W299-F335 HydrophobicContact CB-CD2 4.18Å; W299-F335 HydrophobicContact CB-CG 4.2Å; W299-F335 HydrophobicContact CD2-CB 3.71Å; W299-F335 HydrophobicContact CD2-CD1 4.18Å; W299-F335 HydrophobicContact CD2-CG 4.04Å; W299-F335 HydrophobicContact CE3-CD1 4.18Å; W299-F335 HydrophobicContact CE3-CG 4.49Å; W299-F335 HydrophobicContact CG-CB 3.62Å; W299-F335 HydrophobicContact CG-CD1 4.47Å; W299-F335 HydrophobicContact CG-CD2 4.34Å; W299-F335 AromaticContact CG-CG 3.92Å; W299-F335 HydrophobicContact CG-CG 3.92Å; W299-F335 HydrophobicContact CZ2-CB 4.3Å; V301-F335 HydrophobicContact CG2-CE2 4.25Å; V301-F335 HydrophobicContact CG2-CZ 3.72Å; V306-F335 HydrophobicContact CB-CE2 4.31Å; V306-F335 HydrophobicContact CG1-CE2 3.79Å; V306-F335 HydrophobicContact CG2-CD2 3.9Å; V306-F335 HydrophobicContact CG2-CE2 3.48Å; V306-F335 VanDerWaalsContact CG2-CE2 3.48Å; V306-F335 HydrophobicContact CG2-CZ 4.41Å; L311-F335 HydrophobicContact CD1-CZ 4.11Å; A315-F335 HydrophobicContact CB-CE2 3.63Å; A315-F335 HydrophobicContact CB-CZ 3.88Å; L316-F335 WeakPolarHBondContact O-CA 3.38Å; Q317-F335 HydrophobicContact CB-CD2 4.47Å; F335-I337 HydrophobicContact CE1-CD1 3.9Å; F335-I337 HydrophobicContact CE1-CG1 3.8Å; F335-I337 HydrophobicContact CZ-CD1 4.21Å; F335-I337 HydrophobicContact CZ-CG1 3.89Å; F335-M349 HydrophobicContact CE1-CG 4.13Å; F335-M349 HydrophobicContact CE1-SD 3.91Å |
| 336 | I | 90.1 | Very high | 87.1 | Confident | 21 Ų | 21 | 49.4 Ų | 49.4 | 11% | 0.108 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122 | -172.8 | -61.8 | 169.2 | 0 | 0 | 0 | 107.7 | I54 L279 E280 A315 L316 | I54-I336 HydrophobicContact CD1-CG2 4.49Å; L279-I336 CarbonylContact O-C 3.43Å; L279-I336 WeakPolarHBondContact O-CA 3.46Å; E280-I336 HydrophobicContact CB-CG1 4.25Å; E280-I336 HydrophobicContact CG-CD1 4.48Å; E280-I336 HydrophobicContact CG-CG1 3.9Å; A315-I336 CarbonylContact C-O 3.51Å; A315-I336 WeakPolarHBondContact CA-O 3.36Å; L316-I336 PolarHBondContact N-O 2.93Å; L316-I336 PolarHBondContact O-N 3.37Å |
| 337 | I | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 120.2 | 166.5 | -51.3 | 175.6 | 0 | 0 | 0 | 107 | G278 L279 L311 R314 A315 F335 A339 I340 M349 | G278-I337 CarbonylContact C-O 3.59Å; G278-I337 WeakPolarHBondContact CA-O 3.47Å; L279-I337 PolarHBondContact N-O 2.79Å; L279-I337 PolarHBondContact O-N 2.88Å; L311-I337 HydrophobicContact CD1-CD1 4.05Å; L311-I337 HydrophobicContact CD1-CG1 4.41Å; R314-I337 VanDerWaalsContact NH2-CG2 3.29Å; R314-I337 CarbonylContact O-C 3.42Å; R314-I337 WeakPolarHBondContact O-CA 3.42Å; A315-I337 HydrophobicContact CB-CB 4.48Å; A315-I337 HydrophobicContact CB-CG1 4.04Å; F335-I337 HydrophobicContact CE1-CD1 3.9Å; F335-I337 HydrophobicContact CE1-CG1 3.8Å; F335-I337 HydrophobicContact CZ-CD1 4.21Å; F335-I337 HydrophobicContact CZ-CG1 3.89Å; I337-A339 VanDerWaalsContact C-N 3.33Å; I337-A339 PolarHBondContact O-N 3Å; I337-I340 HydrophobicContact CB-CD1 3.84Å; I337-I340 HydrophobicContact CD1-CD1 3.93Å; I337-I340 HydrophobicContact CG1-CD1 4.49Å; I337-I340 HydrophobicContact CG2-CD1 3.64Å; I337-M349 HydrophobicContact CD1-SD 4.04Å |
| 338 | S | 80.6 | Confident | 89 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 13% | 0.126 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -66.7 | -33.1 | -172.5 | -50.3 | 0 | 0 | 0 | 0 | 113.2 | G278 R314 | G278-S338 WeakPolarHBondContact CA-O 3.49Å; R314-S338 PolarHBondContact O-N 3.04Å; R314-S338 PolarHBondContact O-OG 2.88Å |
| 339 | A | 80.4 | Confident | 89.3 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -154.4 | 125.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L61 S277 R314 I337 | L61-A339 HydrophobicContact CD1-CB 3.59Å; S277-A339 CarbonylContact O-C 3.58Å; S277-A339 VanDerWaalsContact O-CA 3.29Å; S277-A339 WeakPolarHBondContact O-CA 3.41Å; R314-A339 PolarHBondContact NH1-O 2.9Å; R314-A339 PolarHBondContact NH2-O 3.36Å; I337-A339 VanDerWaalsContact C-N 3.33Å; I337-A339 PolarHBondContact O-N 3Å |
| 340 | I | 86.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -77.2 | 131.9 | 174.3 | -59.9 | -46 | 0 | 0 | 0 | 110.6 | S273 G276 S277 L279 I337 D344 L366 L368 | S273-I340 WeakPolarHBondContact OG-CG1 3.05Å; G276-I340 VanDerWaalsContact CA-O 3.28Å; G276-I340 WeakPolarHBondContact CA-O 3.35Å; G276-I340 PolarHBondContact N-O 3.36Å; S277-I340 PolarHBondContact O-N 3.02Å; L279-I340 HydrophobicContact CB-CD1 3.91Å; L279-I340 HydrophobicContact CB-CG1 4.19Å; L279-I340 HydrophobicContact CD2-CD1 4.34Å; I337-I340 HydrophobicContact CB-CD1 3.84Å; I337-I340 HydrophobicContact CD1-CD1 3.93Å; I337-I340 HydrophobicContact CG1-CD1 4.49Å; I337-I340 HydrophobicContact CG2-CD1 3.64Å; I340-D344 WeakPolarHBondContact CA-OD2 3.28Å; I340-D344 HydrophobicContact CG2-CB 4.31Å; I340-L366 HydrophobicContact CD1-CD2 3.73Å; I340-L366 HydrophobicContact CG1-CD2 4.4Å; I340-L366 HydrophobicContact CG2-CD2 4.07Å; I340-L368 HydrophobicContact CG2-CD1 3.68Å; I340-L368 HydrophobicContact CG2-CD2 4.48Å; I340-L368 HydrophobicContact CG2-CG 3.95Å | ||
| 341 | T | 85.4 | Confident | 89.7 | Confident | 38 Ų | 38 | 38.1 Ų | 38.1 | 23% | 0.233 | 18% | 0.178 | C | C | . | . | trans | -114.3 | 164.9 | 176.3 | 45.7 | 0 | 0 | 0 | 0 | 110.1 | R314 E343 D344 | R314-T341 PolarHBondContact NH1-OG1 2.72Å; T341-E343 PolarHBondContact O-N 3.23Å; T341-D344 PolarHBondContact N-OD2 3.09Å; T341-D344 WeakPolarHBondContact O-CB 3.42Å; T341-D344 PolarHBondContact O-N 3.19Å; T341-D344 PolarHBondContact OG1-OD1 3.13Å; T341-D344 PolarHBondContact OG1-OD2 3.24Å; T341-D344 VanDerWaalsContact OG1-OD2 3.05Å | ||
| 342 | E | 83.5 | Confident | 89.9 | Confident | 107 Ų | 107 | 38.7 Ų | 38.7 | 50% | 0.5 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -59.6 | -31.9 | 176.9 | -44.2 | -163.4 | 167.4 | 0 | 0 | 112.4 | R20 D344 E345 | R20-E342 IonicContact CZ-OE1 3.97Å; R20-E342 IonicContact NE-OE1 2.87Å; R20-E342 PolarHBondContact NE-OE1 2.67Å; R20-E342 IonicContact NH1-OE1 2.65Å; R20-E342 PolarHBondContact NH1-OE1 2.05Å; R20-E342 IonicContact NH2-OE1 3.99Å; R20-E342 PolarHBondContact NH2-OE1 2.86Å; R20-E342 IonicContact NH2-OE2 3.09Å; R20-E342 PolarHBondContact NH2-OE2 3.35Å; E342-D344 PolarHBondContact O-N 3Å; E342-D344 VanDerWaalsContact O-N 3.13Å; E342-E345 WeakPolarHBondContact O-CB 3.36Å; E342-E345 PolarHBondContact O-N 3.07Å |
| 343 | E | 86.1 | Confident | 89.9 | Confident | 157 Ų | 157 | 38.3 Ų | 38.3 | 73% | 0.734 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -61.5 | -17.8 | 175.4 | -62.1 | 178.7 | -175.1 | 0 | 0 | 113.5 | T341 E345 | T341-E343 PolarHBondContact O-N 3.23Å; E343-E345 VanDerWaalsContact C-N 3.35Å |
| 344 | D | 89.4 | Confident | 90 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -88.8 | -4.4 | -179 | -49.8 | -44.8 | 0 | 0 | 0 | 113.5 | Y310 R314 I340 T341 E342 K346 T347 L366 | Y310-D344 VanDerWaalsContact CE2-OD1 3.23Å; Y310-D344 WeakPolarHBondContact CE2-OD1 3.29Å; Y310-D344 PolarHBondContact OH-OD1 3.25Å; R314-D344 IonicContact CZ-OD1 3.96Å; R314-D344 IonicContact CZ-OD2 3.66Å; R314-D344 IonicContact NE-OD1 2.8Å; R314-D344 IonicContact NH1-OD1 2.84Å; R314-D344 IonicContact NH1-OD2 3.85Å; R314-D344 PolarHBondContact NH1-OD2 3.4Å; R314-D344 IonicContact NH2-OD1 2.76Å; R314-D344 PolarHBondContact NH2-OD1 2.89Å; R314-D344 IonicContact NH2-OD2 2.88Å; R314-D344 PolarHBondContact NH2-OD2 3.23Å; I340-D344 WeakPolarHBondContact CA-OD2 3.28Å; I340-D344 HydrophobicContact CG2-CB 4.31Å; T341-D344 PolarHBondContact N-OD2 3.09Å; T341-D344 WeakPolarHBondContact O-CB 3.42Å; T341-D344 PolarHBondContact O-N 3.19Å; T341-D344 PolarHBondContact OG1-OD1 3.13Å; T341-D344 PolarHBondContact OG1-OD2 3.24Å; T341-D344 VanDerWaalsContact OG1-OD2 3.05Å; E342-D344 PolarHBondContact O-N 3Å; E342-D344 VanDerWaalsContact O-N 3.13Å; D344-K346 PolarHBondContact O-N 3.34Å; D344-T347 WeakPolarHBondContact CA-OG1 3.24Å; D344-T347 VanDerWaalsContact O-CB 3.29Å; D344-T347 WeakPolarHBondContact O-CB 3.33Å; D344-T347 PolarHBondContact O-N 3.5Å; D344-T347 PolarHBondContact O-OG1 2.84Å; D344-L366 HydrophobicContact CB-CD2 3.47Å; D344-L366 VanDerWaalsContact CB-CD2 3.47Å; D344-L366 WeakPolarHBondContact O-CD2 3.4Å |
| 345 | E | 87.7 | Confident | 90 | Very high | 104 Ų | 104 | 37.3 Ų | 37.3 | 49% | 0.486 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 127 | 177.8 | -157.3 | -167.8 | 148.7 | 0 | 0 | 109.8 | E342 E343 T347 L368 | E342-E345 WeakPolarHBondContact O-CB 3.36Å; E342-E345 PolarHBondContact O-N 3.07Å; E343-E345 VanDerWaalsContact C-N 3.35Å; E345-T347 VanDerWaalsContact C-N 3.26Å; E345-T347 PolarHBondContact O-N 3.3Å; E345-L368 HydrophobicContact CB-CD1 3.96Å; E345-L368 HydrophobicContact CG-CD1 4.25Å |
| 346 | K | 86.2 | Confident | 89.7 | Confident | 150 Ų | 150 | 42 Ų | 42 | 65% | 0.652 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 22.3 | -176.7 | -51.8 | 164.9 | -176.6 | 169 | 0 | 114.4 | D344 E348 M365 L366 | D344-K346 PolarHBondContact O-N 3.34Å; K346-E348 PolarHBondContact O-N 2.87Å; K346-M365 HydrophobicContact CB-CE 4.38Å; K346-L366 WeakPolarHBondContact CA-O 3.26Å; K346-L366 PolarHBondContact N-O 2.71Å |
| 347 | T | 92.4 | Very high | 89.4 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | trans | -61.7 | 127 | 169.4 | -58.4 | 0 | 0 | 0 | 0 | 110.1 | V301 Y310 D344 E345 M349 L366 | V301-T347 HydrophobicContact CG1-CG2 3.8Å; Y310-T347 HydrophobicContact CE1-CG2 4.25Å; Y310-T347 PolarHBondContact OH-OG1 3.49Å; D344-T347 WeakPolarHBondContact CA-OG1 3.24Å; D344-T347 VanDerWaalsContact O-CB 3.29Å; D344-T347 WeakPolarHBondContact O-CB 3.33Å; D344-T347 PolarHBondContact O-N 3.5Å; D344-T347 PolarHBondContact O-OG1 2.84Å; E345-T347 VanDerWaalsContact C-N 3.26Å; E345-T347 PolarHBondContact O-N 3.3Å; T347-M349 HydrophobicContact CG2-CG 4.2Å; T347-L366 PolarHBondContact O-N 2.99Å; T347-L366 VanDerWaalsContact O-N 3.17Å | ||
| 348 | E | 94.7 | Very high | 89.2 | Confident | 65 Ų | 65 | 43.5 Ų | 43.5 | 30% | 0.304 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 115.8 | 174.1 | -169.9 | -174.4 | 100.6 | 0 | 0 | 109.2 | N302 K346 V363 M365 | N302-E348 PolarHBondContact N-O 2.98Å; N302-E348 PolarHBondContact OD1-N 3.48Å; N302-E348 VanDerWaalsContact OD1-N 3.08Å; K346-E348 PolarHBondContact O-N 2.87Å; E348-V363 HydrophobicContact CG-CG1 3.38Å; E348-M365 HydrophobicContact CB-SD 3.97Å; E348-M365 HydrophobicContact CG-SD 4.14Å |
| 349 | M | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.2 | 176.2 | -60.7 | 165.3 | -65.2 | 0 | 0 | 108.3 | F271 L281 W299 L300 F335 I337 T347 T364 L366 | F271-M349 HydrophobicContact CD2-CE 4.35Å; L281-M349 HydrophobicContact CD1-CE 3.89Å; L281-M349 HydrophobicContact CD1-SD 3.58Å; L281-M349 VanDerWaalsContact CD1-SD 3.58Å; W299-M349 HydrophobicContact CE3-CB 4.33Å; W299-M349 HydrophobicContact CZ3-CB 4.12Å; L300-M349 WeakPolarHBondContact O-CA 3.33Å; F335-M349 HydrophobicContact CE1-CG 4.13Å; F335-M349 HydrophobicContact CE1-SD 3.91Å; I337-M349 HydrophobicContact CD1-SD 4.04Å; T347-M349 HydrophobicContact CG2-CG 4.2Å; M349-T364 PolarHBondContact N-O 3Å; M349-T364 PolarHBondContact O-N 3.39Å; M349-T364 PolarHBondContact O-OG1 3.38Å; M349-L366 HydrophobicContact CE-CB 3.69Å |
| 350 | K | 96.4 | Very high | 90.4 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 16% | 0.157 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.4 | -175.4 | -175.5 | -176.1 | -66 | -161.4 | 0 | 110 | W299 L300 V352 E361 V362 V363 | W299-K350 CarbonylContact C-O 3.53Å; W299-K350 WeakPolarHBondContact CA-O 3.29Å; L300-K350 HydrophobicContact CB-CB 4.29Å; L300-K350 HydrophobicContact CD1-CD 4.49Å; L300-K350 PolarHBondContact N-O 3.39Å; L300-K350 PolarHBondContact O-N 3.36Å; K350-V352 HydrophobicContact CD-CG2 3.87Å; K350-V352 HydrophobicContact CG-CG2 3.85Å; K350-E361 HydrophobicContact CD-CB 4.05Å; K350-E361 HydrophobicContact CD-CG 4.41Å; K350-E361 HydrophobicContact CG-CB 4.17Å; K350-E361 IonicContact NZ-OE1 3.54Å; K350-E361 PolarHBondContact NZ-OE1 2.98Å; K350-V362 CarbonylContact C-O 3.55Å; K350-V362 VanDerWaalsContact CA-O 3.23Å; K350-V362 WeakPolarHBondContact CA-O 3.29Å; K350-V362 WeakPolarHBondContact CG-O 3.42Å; K350-V363 HydrophobicContact CD-CG2 4.48Å; K350-V363 HydrophobicContact CG-CG2 4.25Å |
| 351 | C | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 129.2 | 165 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | I262 C283 W299 E361 V362 | I262-C351 HydrophobicContact CD1-CB 4.42Å; I262-C351 WeakPolarHBondContact CD1-O 3.31Å; C283-C351 HydrophobicContact CB-CB 3.77Å; C283-C351 WeakPolarHBondContact CB-SG 3.45Å; C283-C351 WeakPolarHBondContact SG-CB 3.05Å; C283-C351 CovalentContact SG-SG 2Å; C283-C351 PolarHBondContact SG-SG 2.85Å; W299-C351 HydrophobicContact CD2-CB 4.3Å; W299-C351 HydrophobicContact CE3-CB 4.25Å; W299-C351 HydrophobicContact CH2-CB 4.29Å; W299-C351 HydrophobicContact CZ2-CB 4.32Å; W299-C351 HydrophobicContact CZ3-CB 4.24Å; C351-E361 CarbonylContact O-C 3.57Å; C351-E361 VanDerWaalsContact O-CA 3.28Å; C351-E361 WeakPolarHBondContact O-CA 3.47Å; C351-V362 PolarHBondContact N-O 2.92Å; C351-V362 PolarHBondContact O-N 3.3Å |
| 352 | V | 95.8 | Very high | 91.3 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.8 | 178.9 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | V297 T298 L300 K350 K359 E361 | V297-V352 CarbonylContact C-O 3.58Å; V297-V352 WeakPolarHBondContact CA-O 3.37Å; T298-V352 PolarHBondContact N-O 3.36Å; T298-V352 PolarHBondContact O-N 3.09Å; L300-V352 HydrophobicContact CD1-CG2 3.7Å; L300-V352 HydrophobicContact CG-CG2 4.08Å; K350-V352 HydrophobicContact CD-CG2 3.87Å; K350-V352 HydrophobicContact CG-CG2 3.85Å; V352-K359 HydrophobicContact CG1-CD 4.42Å; V352-K359 HydrophobicContact CG1-CG 4.32Å; V352-E361 HydrophobicContact CG2-CB 4.07Å |
| 353 | T | 94.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.4 | 172 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | P260 I262 V285 T295 A296 K359 Q360 | P260-T353 HydrophobicContact CB-CG2 4.06Å; P260-T353 HydrophobicContact CG-CG2 3.96Å; I262-T353 HydrophobicContact CD1-CG2 3.92Å; I262-T353 HydrophobicContact CG1-CG2 3.49Å; I262-T353 VanDerWaalsContact CG1-CG2 3.49Å; V285-T353 HydrophobicContact CG1-CG2 3.9Å; V285-T353 HydrophobicContact CG2-CG2 4.08Å; T295-T353 WeakPolarHBondContact CG2-OG1 3.46Å; A296-T353 CarbonylContact O-C 3.59Å; A296-T353 WeakPolarHBondContact O-CA 3.28Å; A296-T353 WeakPolarHBondContact O-CB 3.4Å; A296-T353 PolarHBondContact O-OG1 3.05Å; T353-K359 CarbonylContact O-C 3.58Å; T353-K359 WeakPolarHBondContact O-CA 3.42Å; T353-Q360 HydrophobicContact CG2-CB 3.9Å; T353-Q360 PolarHBondContact N-O 3.24Å; T353-Q360 PolarHBondContact O-N 2.5Å; T353-Q360 VanDerWaalsContact O-O 3.08Å |
| 354 | Q | 92.8 | Very high | 92.3 | Very high | 53 Ų | 53 | 43.1 Ų | 43.1 | 25% | 0.248 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 135.9 | -175.9 | -171.5 | 168.1 | -23.1 | 0 | 0 | 110.9 | E224 T295 A296 G358 K359 | E224-Q354 PolarHBondContact OE2-NE2 2.99Å; E224-Q354 PolarHBondContact OE2-OE1 3.34Å; T295-Q354 CarbonylContact C-O 3.58Å; T295-Q354 WeakPolarHBondContact CA-O 3.39Å; A296-Q354 PolarHBondContact N-O 3.13Å; A296-Q354 PolarHBondContact O-N 3.49Å; Q354-G358 WeakPolarHBondContact CA-O 3.31Å; Q354-K359 HydrophobicContact CB-CB 4.33Å; Q354-K359 HydrophobicContact CB-CG 4.25Å; Q354-K359 HydrophobicContact CG-CB 3.98Å; Q354-K359 HydrophobicContact CG-CG 4.32Å |
| 355 | N | 90.3 | Very high | 92.4 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | -176.3 | 167.9 | 74.1 | 8.2 | 0 | 0 | 0 | 109.5 | K258 P260 T287 T295 G357 G358 | K258-N355 PolarHBondContact O-ND2 3.01Å; K258-N355 PolarHBondContact O-OD1 2.9Å; P260-N355 VanDerWaalsContact CD-CG 3.45Å; P260-N355 WeakPolarHBondContact CD-OD1 3.43Å; P260-N355 HydrophobicContact CG-CB 3.99Å; T287-N355 PolarHBondContact OG1-ND2 2.76Å; T295-N355 HydrophobicContact CG2-CB 4.31Å; T295-N355 WeakPolarHBondContact OG1-CB 3.42Å; N355-G357 PolarHBondContact O-N 2.81Å; N355-G357 VanDerWaalsContact O-N 3.15Å; N355-G357 VanDerWaalsContact OD1-CA 3.22Å; N355-G357 WeakPolarHBondContact OD1-CA 3.26Å; N355-G357 PolarHBondContact OD1-N 3.42Å; N355-G358 PolarHBondContact N-O 2.79Å; N355-G358 PolarHBondContact O-N 3.43Å; N355-G358 VanDerWaalsContact O-N 3.09Å; N355-G358 PolarHBondContact OD1-N 3.3Å; N355-G358 VanDerWaalsContact OD1-N 3.12Å |
| 356 | T | 86.5 | Confident | 92.6 | Very high | 98 Ų | 98 | 41.6 Ų | 41.6 | 60% | 0.601 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.1 | 178 | 54.2 | 0 | 0 | 0 | 0 | 114.1 | M257 | M257-T356 PolarHBondContact SD-OG1 3.37Å; M257-T356 VanDerWaalsContact SD-OG1 3.37Å |
| 357 | G | 84.7 | Confident | 92.8 | Very high | 26 Ų | 26 | 40.9 Ų | 40.9 | 27% | 0.268 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -11.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | M257 N355 | M257-G357 VanDerWaalsContact O-CA 3.28Å; M257-G357 WeakPolarHBondContact O-CA 3.38Å; N355-G357 PolarHBondContact O-N 2.81Å; N355-G357 VanDerWaalsContact O-N 3.15Å; N355-G357 VanDerWaalsContact OD1-CA 3.22Å; N355-G357 WeakPolarHBondContact OD1-CA 3.26Å; N355-G357 PolarHBondContact OD1-N 3.42Å |
| 358 | G | 88.2 | Confident | 92.5 | Very high | 27 Ų | 27 | 41.6 Ų | 41.6 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.5 | 178.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | P260 Q354 N355 | P260-G358 WeakPolarHBondContact CD-O 3.45Å; Q354-G358 WeakPolarHBondContact CA-O 3.31Å; N355-G358 PolarHBondContact N-O 2.79Å; N355-G358 PolarHBondContact O-N 3.43Å; N355-G358 VanDerWaalsContact O-N 3.09Å; N355-G358 PolarHBondContact OD1-N 3.3Å; N355-G358 VanDerWaalsContact OD1-N 3.12Å |
| 359 | K | 92.3 | Very high | 91.8 | Very high | 107 Ų | 107 | 43.2 Ų | 43.2 | 47% | 0.465 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 137.2 | 179.1 | -175.6 | -173.6 | 175.1 | -149.6 | 0 | 109.7 | V352 T353 Q354 E361 | V352-K359 HydrophobicContact CG1-CD 4.42Å; V352-K359 HydrophobicContact CG1-CG 4.32Å; T353-K359 CarbonylContact O-C 3.58Å; T353-K359 WeakPolarHBondContact O-CA 3.42Å; Q354-K359 HydrophobicContact CB-CB 4.33Å; Q354-K359 HydrophobicContact CB-CG 4.25Å; Q354-K359 HydrophobicContact CG-CB 3.98Å; Q354-K359 HydrophobicContact CG-CG 4.32Å; K359-E361 WeakPolarHBondContact CE-OE2 3.02Å; K359-E361 IonicContact NZ-OE2 3.73Å; K359-E361 PolarHBondContact NZ-OE2 3.27Å |
| 360 | Q | 92.9 | Very high | 90.6 | Very high | 89 Ų | 89 | 47.9 Ų | 47.9 | 42% | 0.416 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.7 | 171.3 | -171.8 | 63.4 | 37.3 | 0 | 0 | 109.2 | I262 T353 | I262-Q360 HydrophobicContact CD1-CB 4.44Å; I262-Q360 HydrophobicContact CD1-CG 4.06Å; I262-Q360 HydrophobicContact CG1-CB 4.49Å; I262-Q360 HydrophobicContact CG1-CG 4.11Å; T353-Q360 HydrophobicContact CG2-CB 3.9Å; T353-Q360 PolarHBondContact N-O 3.24Å; T353-Q360 PolarHBondContact O-N 2.5Å; T353-Q360 VanDerWaalsContact O-O 3.08Å |
| 361 | E | 95.5 | Very high | 89.1 | Confident | 71 Ų | 71 | 48.4 Ų | 48.4 | 33% | 0.332 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151.8 | 172.6 | 56.8 | -174.8 | -118.9 | 0 | 0 | 110.9 | K350 C351 V352 K359 | K350-E361 HydrophobicContact CD-CB 4.05Å; K350-E361 HydrophobicContact CD-CG 4.41Å; K350-E361 HydrophobicContact CG-CB 4.17Å; K350-E361 IonicContact NZ-OE1 3.54Å; K350-E361 PolarHBondContact NZ-OE1 2.98Å; C351-E361 CarbonylContact O-C 3.57Å; C351-E361 VanDerWaalsContact O-CA 3.28Å; C351-E361 WeakPolarHBondContact O-CA 3.47Å; V352-E361 HydrophobicContact CG2-CB 4.07Å; K359-E361 WeakPolarHBondContact CE-OE2 3.02Å; K359-E361 IonicContact NZ-OE2 3.73Å; K359-E361 PolarHBondContact NZ-OE2 3.27Å |
| 362 | V | 96.3 | Very high | 87.8 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 133.4 | 178.7 | 160.8 | 0 | 0 | 0 | 0 | 108.3 | I262 P265 D267 K350 C351 T364 | I262-V362 HydrophobicContact CB-CG2 3.96Å; I262-V362 HydrophobicContact CD1-CB 3.95Å; I262-V362 HydrophobicContact CD1-CG2 3.78Å; I262-V362 HydrophobicContact CG1-CG2 4.44Å; I262-V362 HydrophobicContact CG2-CB 4.3Å; I262-V362 HydrophobicContact CG2-CG2 3.91Å; P265-V362 HydrophobicContact CG-CG1 3.88Å; P265-V362 WeakPolarHBondContact O-CG1 3.32Å; D267-V362 HydrophobicContact CB-CG1 4.28Å; D267-V362 HydrophobicContact CB-CG2 4.44Å; K350-V362 CarbonylContact C-O 3.55Å; K350-V362 VanDerWaalsContact CA-O 3.23Å; K350-V362 WeakPolarHBondContact CA-O 3.29Å; K350-V362 WeakPolarHBondContact CG-O 3.42Å; C351-V362 PolarHBondContact N-O 2.92Å; C351-V362 PolarHBondContact O-N 3.3Å; V362-T364 HydrophobicContact CG1-CG2 4.27Å |
| 363 | V | 95.4 | Very high | 86.4 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.4 | -178.4 | -171.8 | 0 | 0 | 0 | 0 | 110.5 | D267 G268 E348 K350 | D267-V363 PolarHBondContact OD1-N 3.26Å; G268-V363 PolarHBondContact N-O 3.44Å; E348-V363 HydrophobicContact CG-CG1 3.38Å; K350-V363 HydrophobicContact CD-CG2 4.48Å; K350-V363 HydrophobicContact CG-CG2 4.25Å |
| 364 | T | 94.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 155.5 | 176.8 | 62 | 0 | 0 | 0 | 0 | 110.3 | P265 T269 F271 M349 V362 | P265-T364 HydrophobicContact CB-CG2 3.54Å; P265-T364 HydrophobicContact CG-CG2 3.45Å; P265-T364 VanDerWaalsContact CG-CG2 3.45Å; T269-T364 VanDerWaalsContact O-CA 3.29Å; T269-T364 WeakPolarHBondContact O-CA 3.36Å; T269-T364 WeakPolarHBondContact O-CB 3.37Å; F271-T364 HydrophobicContact CE2-CG2 3.94Å; M349-T364 PolarHBondContact N-O 3Å; M349-T364 PolarHBondContact O-N 3.39Å; M349-T364 PolarHBondContact O-OG1 3.38Å; V362-T364 HydrophobicContact CG1-CG2 4.27Å |
| 365 | M | 92.7 | Very high | 83.9 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 35% | 0.345 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.5 | -176.3 | -63.5 | -65.3 | -99.1 | 0 | 0 | 110.7 | T269 I270 F271 K346 E348 | T269-M365 PolarHBondContact O-N 3.15Å; I270-M365 CarbonylContact C-O 3.47Å; I270-M365 WeakPolarHBondContact CA-O 3.29Å; F271-M365 PolarHBondContact N-O 3.01Å; K346-M365 HydrophobicContact CB-CE 4.38Å; E348-M365 HydrophobicContact CB-SD 3.97Å; E348-M365 HydrophobicContact CG-SD 4.14Å |
| 366 | L | 91.8 | Very high | 83.1 | Confident | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 136.2 | 171.7 | -177.6 | 58.9 | 0 | 0 | 0 | 110.8 | F271 L279 I340 D344 K346 T347 M349 | F271-L366 WeakPolarHBondContact O-CD1 3.44Å; L279-L366 HydrophobicContact CD2-CD1 3.51Å; I340-L366 HydrophobicContact CD1-CD2 3.73Å; I340-L366 HydrophobicContact CG1-CD2 4.4Å; I340-L366 HydrophobicContact CG2-CD2 4.07Å; D344-L366 HydrophobicContact CB-CD2 3.47Å; D344-L366 VanDerWaalsContact CB-CD2 3.47Å; D344-L366 WeakPolarHBondContact O-CD2 3.4Å; K346-L366 WeakPolarHBondContact CA-O 3.26Å; K346-L366 PolarHBondContact N-O 2.71Å; T347-L366 PolarHBondContact O-N 2.99Å; T347-L366 VanDerWaalsContact O-N 3.17Å; M349-L366 HydrophobicContact CE-CB 3.69Å |
| 367 | R | 90 | Very high | 82.7 | Confident | 134 Ų | 134 | 70 Ų | 70 | 51% | 0.506 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 134 | 173.1 | -176.8 | 177.1 | -174.8 | -161.8 | 7.5 | 109.7 | I270 F271 E272 S273 | I270-R367 HydrophobicContact CG2-CB 3.58Å; F271-R367 PolarHBondContact O-N 3.1Å; E272-R367 VanDerWaalsContact CA-O 3.31Å; E272-R367 WeakPolarHBondContact CA-O 3.4Å; E272-R367 HydrophobicContact CG-CB 4.17Å; E272-R367 HydrophobicContact CG-CG 4.43Å; E272-R367 WeakPolarHBondContact OE1-CD 3.43Å; E272-R367 IonicContact OE1-CZ 3.49Å; E272-R367 IonicContact OE1-NE 3.48Å; E272-R367 IonicContact OE1-NH1 2.84Å; E272-R367 PolarHBondContact OE1-NH1 2.65Å; S273-R367 PolarHBondContact N-O 3.45Å |
| 368 | L | 86.2 | Confident | 82.7 | Confident | 20 Ų | 20 | 71.8 Ų | 71.8 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 134.7 | 173.2 | -88.1 | 73.8 | 0 | 0 | 0 | 110.1 | S273 H275 I340 E345 D370 | S273-L368 WeakPolarHBondContact O-CA 3.16Å; H275-L368 HydrophobicContact CB-CD2 4.36Å; I340-L368 HydrophobicContact CG2-CD1 3.68Å; I340-L368 HydrophobicContact CG2-CD2 4.48Å; I340-L368 HydrophobicContact CG2-CG 3.95Å; E345-L368 HydrophobicContact CB-CD1 3.96Å; E345-L368 HydrophobicContact CG-CD1 4.25Å; L368-D370 PolarHBondContact O-N 3.37Å |
| 369 | E | 80.6 | Confident | 82.5 | Confident | 99 Ų | 99 | 72.2 Ų | 72.2 | 46% | 0.463 | 37% | 0.366 | S | S | . | . | trans | -70.4 | 126.7 | 174.8 | -169.1 | -179.8 | -168.8 | 0 | 0 | 110.5 | S273 S274 T371 | S273-E369 PolarHBondContact O-N 3.38Å; S274-E369 PolarHBondContact OG-OE2 2.96Å; E369-T371 PolarHBondContact O-N 3.32Å | ||
| 370 | D | 69.1 | Low | 82.4 | Confident | 98 Ų | 98 | 72 Ų | 72 | 52% | 0.524 | 37% | 0.374 | S | S | . | . | trans | -79.6 | 88.2 | 178.9 | -173.4 | -14.7 | 0 | 0 | 0 | 110.5 | L368 T372 F373 | L368-D370 PolarHBondContact O-N 3.37Å; D370-T372 PolarHBondContact O-N 3.1Å; D370-T372 WeakPolarHBondContact OD1-CA 3.43Å; D370-T372 VanDerWaalsContact OD1-CB 3.29Å; D370-T372 WeakPolarHBondContact OD1-CB 3.21Å; D370-T372 PolarHBondContact OD1-N 2.94Å; D370-T372 PolarHBondContact OD1-OG1 3.3Å; D370-F373 PolarHBondContact OD1-N 2.94Å | ||
| 371 | T | 65.4 | Low | 82.3 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.4 | -19.6 | 176.2 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | E369 W375 | E369-T371 PolarHBondContact O-N 3.32Å; T371-W375 VanDerWaalsContact O-CD1 3.29Å; T371-W375 PolarHBondContact O-N 3.39Å |
| 372 | T | 67.3 | Low | 82 | Confident | 83 Ų | 83 | 72.1 Ų | 72.1 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.6 | -38.2 | -177 | 8.4 | 0 | 0 | 0 | 0 | 111.6 | D370 L376 | D370-T372 PolarHBondContact O-N 3.1Å; D370-T372 WeakPolarHBondContact OD1-CA 3.43Å; D370-T372 VanDerWaalsContact OD1-CB 3.29Å; D370-T372 WeakPolarHBondContact OD1-CB 3.21Å; D370-T372 PolarHBondContact OD1-N 2.94Å; D370-T372 PolarHBondContact OD1-OG1 3.3Å; T372-L376 WeakPolarHBondContact O-CB 3.33Å; T372-L376 VanDerWaalsContact O-CG 3.24Å; T372-L376 WeakPolarHBondContact O-CG 3.43Å; T372-L376 PolarHBondContact O-N 3.42Å |
| 373 | F | 66.3 | Low | 81.8 | Confident | 139 Ų | 139 | 74 Ų | 74 | 61% | 0.61 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 178.5 | -174.9 | -102.4 | 0 | 0 | 0 | 112.7 | D370 L376 V377 | D370-F373 PolarHBondContact OD1-N 2.94Å; F373-L376 PolarHBondContact O-N 2.92Å; F373-V377 HydrophobicContact CE1-CG2 4.2Å; F373-V377 HydrophobicContact CZ-CG2 4.3Å; F373-V377 WeakPolarHBondContact O-CG2 3.35Å; F373-V377 PolarHBondContact O-N 3.42Å; F373-V377 VanDerWaalsContact O-N 3.09Å |
| 374 | T | 67.7 | Low | 81.6 | Confident | 82 Ų | 82 | 75.5 Ų | 75.5 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | -178.4 | -49.8 | 0 | 0 | 0 | 0 | 111.9 | V377 V378 | T374-V377 PolarHBondContact O-N 2.99Å; T374-V378 WeakPolarHBondContact O-CG2 3.4Å; T374-V378 PolarHBondContact O-N 2.92Å |
| 375 | W | 68.7 | Low | 81.5 | Confident | 140 Ų | 140 | 79.1 Ų | 79.1 | 53% | 0.53 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.7 | -31.3 | 178.4 | -77.9 | 106.7 | 0 | 0 | 0 | 113.4 | W21 T371 V378 G379 | W21-W375 HydrophobicContact CE3-CZ2 4.2Å; W21-W375 HydrophobicContact CH2-CH2 4.43Å; W21-W375 HydrophobicContact CH2-CZ2 4.1Å; W21-W375 AromaticContact CZ3-CZ2 3.83Å; W21-W375 HydrophobicContact CZ3-CZ2 3.83Å; T371-W375 VanDerWaalsContact O-CD1 3.29Å; T371-W375 PolarHBondContact O-N 3.39Å; W375-V378 HydrophobicContact CE3-CB 4.43Å; W375-V378 HydrophobicContact CE3-CG1 4.32Å; W375-V378 HydrophobicContact CZ3-CG1 4.4Å; W375-V378 PolarHBondContact O-N 3.49Å; W375-G379 PolarHBondContact O-N 2.92Å |
| 376 | L | 73.3 | Confident | 81.5 | Confident | 116 Ų | 116 | 82.7 Ų | 82.7 | 61% | 0.607 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.9 | -45.3 | 170.3 | -78.1 | 169.8 | 0 | 0 | 0 | 111.2 | T372 F373 G379 V380 | T372-L376 WeakPolarHBondContact O-CB 3.33Å; T372-L376 VanDerWaalsContact O-CG 3.24Å; T372-L376 WeakPolarHBondContact O-CG 3.43Å; T372-L376 PolarHBondContact O-N 3.42Å; F373-L376 PolarHBondContact O-N 2.92Å; L376-G379 PolarHBondContact O-N 2.85Å; L376-V380 VanDerWaalsContact O-CG2 3.31Å; L376-V380 WeakPolarHBondContact O-CG2 3.47Å; L376-V380 PolarHBondContact O-N 2.81Å |
| 377 | V | 77.9 | Confident | 81.5 | Confident | 70 Ų | 70 | 87.5 Ų | 87.5 | 42% | 0.424 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 176.1 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | F373 T374 G379 V380 V381 | F373-V377 HydrophobicContact CE1-CG2 4.2Å; F373-V377 HydrophobicContact CZ-CG2 4.3Å; F373-V377 WeakPolarHBondContact O-CG2 3.35Å; F373-V377 PolarHBondContact O-N 3.42Å; F373-V377 VanDerWaalsContact O-N 3.09Å; T374-V377 PolarHBondContact O-N 2.99Å; V377-G379 VanDerWaalsContact C-N 3.33Å; V377-G379 PolarHBondContact O-N 2.89Å; V377-V380 PolarHBondContact O-N 3.4Å; V377-V381 HydrophobicContact CG1-CG2 4.34Å; V377-V381 VanDerWaalsContact O-CG2 3.28Å; V377-V381 WeakPolarHBondContact O-CG2 3.39Å; V377-V381 PolarHBondContact O-N 3.34Å |
| 378 | V | 83.4 | Confident | 81.6 | Confident | 63 Ų | 63 | 86.9 Ų | 86.9 | 38% | 0.382 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | T374 W375 V381 T382 | T374-V378 WeakPolarHBondContact O-CG2 3.4Å; T374-V378 PolarHBondContact O-N 2.92Å; W375-V378 HydrophobicContact CE3-CB 4.43Å; W375-V378 HydrophobicContact CE3-CG1 4.32Å; W375-V378 HydrophobicContact CZ3-CG1 4.4Å; W375-V378 PolarHBondContact O-N 3.49Å; V378-V381 PolarHBondContact O-N 2.96Å; V378-T382 HydrophobicContact CG1-CG2 4.25Å; V378-T382 WeakPolarHBondContact O-CB 3.32Å; V378-T382 VanDerWaalsContact O-CG2 3.26Å; V378-T382 WeakPolarHBondContact O-CG2 3.44Å; V378-T382 PolarHBondContact O-N 3.38Å; V378-T382 PolarHBondContact O-OG1 3.36Å |
| 379 | G | 85.1 | Confident | 81.9 | Confident | 36 Ų | 36 | 90.8 Ų | 90.8 | 37% | 0.371 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | W375 L376 V377 T382 A383 | W375-G379 PolarHBondContact O-N 2.92Å; L376-G379 PolarHBondContact O-N 2.85Å; V377-G379 VanDerWaalsContact C-N 3.33Å; V377-G379 PolarHBondContact O-N 2.89Å; G379-T382 WeakPolarHBondContact CA-OG1 3.33Å; G379-T382 PolarHBondContact O-OG1 2.98Å; G379-A383 VanDerWaalsContact O-CB 3.26Å; G379-A383 WeakPolarHBondContact O-CB 3.22Å; G379-A383 PolarHBondContact O-N 2.93Å |
| 380 | V | 90.1 | Very high | 82.4 | Confident | 102 Ų | 102 | 88.5 Ų | 88.5 | 62% | 0.618 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.1 | -44.8 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L376 V377 S384 | L376-V380 VanDerWaalsContact O-CG2 3.31Å; L376-V380 WeakPolarHBondContact O-CG2 3.47Å; L376-V380 PolarHBondContact O-N 2.81Å; V377-V380 PolarHBondContact O-N 3.4Å; V380-S384 VanDerWaalsContact O-CB 3.32Å; V380-S384 WeakPolarHBondContact O-CB 3.48Å; V380-S384 PolarHBondContact O-N 3.5Å |
| 381 | V | 91.8 | Very high | 83.4 | Confident | 82 Ų | 82 | 87.4 Ų | 87.4 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 179.3 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | V377 V378 S384 C385 | V377-V381 HydrophobicContact CG1-CG2 4.34Å; V377-V381 VanDerWaalsContact O-CG2 3.28Å; V377-V381 WeakPolarHBondContact O-CG2 3.39Å; V377-V381 PolarHBondContact O-N 3.34Å; V378-V381 PolarHBondContact O-N 2.96Å; V381-S384 PolarHBondContact O-N 3.22Å; V381-C385 PolarHBondContact O-N 3.41Å; V381-C385 PolarHBondContact O-SG 2.93Å; V381-C385 VanDerWaalsContact O-SG 3.37Å |
| 382 | T | 88.8 | Confident | 84.6 | Confident | 82 Ų | 82 | 89.1 Ų | 89.1 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 179.2 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | V378 G379 C385 F386 | V378-T382 HydrophobicContact CG1-CG2 4.25Å; V378-T382 WeakPolarHBondContact O-CB 3.32Å; V378-T382 VanDerWaalsContact O-CG2 3.26Å; V378-T382 WeakPolarHBondContact O-CG2 3.44Å; V378-T382 PolarHBondContact O-N 3.38Å; V378-T382 PolarHBondContact O-OG1 3.36Å; G379-T382 WeakPolarHBondContact CA-OG1 3.33Å; G379-T382 PolarHBondContact O-OG1 2.98Å; T382-C385 PolarHBondContact O-N 2.98Å; T382-F386 WeakPolarHBondContact O-CB 3.38Å; T382-F386 PolarHBondContact O-N 3.35Å |
| 383 | A | 92.4 | Very high | 85.6 | Confident | 51 Ų | 51 | 91.2 Ų | 91.2 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G379 F386 L387 | G379-A383 VanDerWaalsContact O-CB 3.26Å; G379-A383 WeakPolarHBondContact O-CB 3.22Å; G379-A383 PolarHBondContact O-N 2.93Å; A383-F386 PolarHBondContact O-N 3.43Å; A383-L387 WeakPolarHBondContact O-CB 3.42Å; A383-L387 WeakPolarHBondContact O-CG 3.19Å; A383-L387 PolarHBondContact O-N 3.47Å |
| 384 | S | 90.9 | Very high | 86.6 | Confident | 68 Ų | 68 | 88.3 Ų | 88.3 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 176 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | V380 V381 F386 L387 M388 | V380-S384 VanDerWaalsContact O-CB 3.32Å; V380-S384 WeakPolarHBondContact O-CB 3.48Å; V380-S384 PolarHBondContact O-N 3.5Å; V381-S384 PolarHBondContact O-N 3.22Å; S384-F386 PolarHBondContact O-N 2.93Å; S384-L387 PolarHBondContact O-N 2.88Å; S384-M388 WeakPolarHBondContact O-CG 3.35Å; S384-M388 PolarHBondContact O-N 2.96Å |
| 385 | C | 91.8 | Very high | 87.5 | Confident | 76 Ų | 76 | 91.6 Ų | 91.6 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 175.6 | -71.2 | 0 | 0 | 0 | 0 | 112.1 | V381 T382 M388 V389 | V381-C385 PolarHBondContact O-N 3.41Å; V381-C385 PolarHBondContact O-SG 2.93Å; V381-C385 VanDerWaalsContact O-SG 3.37Å; T382-C385 PolarHBondContact O-N 2.98Å; C385-M388 PolarHBondContact O-N 3.22Å; C385-V389 WeakPolarHBondContact O-CG2 3.47Å; C385-V389 PolarHBondContact O-N 2.84Å; C385-V389 VanDerWaalsContact O-N 3.1Å |
| 386 | F | 92.7 | Very high | 88.2 | Confident | 144 Ų | 144 | 89.4 Ų | 89.4 | 63% | 0.632 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.2 | -45.9 | 177.9 | -177.9 | -97.9 | 0 | 0 | 0 | 111.8 | T382 A383 S384 M388 V389 V390 | T382-F386 WeakPolarHBondContact O-CB 3.38Å; T382-F386 PolarHBondContact O-N 3.35Å; A383-F386 PolarHBondContact O-N 3.43Å; S384-F386 PolarHBondContact O-N 2.93Å; F386-M388 VanDerWaalsContact C-N 3.31Å; F386-M388 PolarHBondContact O-N 2.93Å; F386-V389 PolarHBondContact O-N 3.35Å; F386-V390 HydrophobicContact CD1-CG2 4.08Å; F386-V390 HydrophobicContact CE1-CG2 3.68Å; F386-V390 HydrophobicContact CE2-CG2 4.4Å; F386-V390 HydrophobicContact CZ-CG2 3.86Å; F386-V390 WeakPolarHBondContact O-CG2 3.29Å; F386-V390 PolarHBondContact O-N 2.86Å |
| 387 | L | 92.8 | Very high | 88.7 | Confident | 105 Ų | 105 | 89 Ų | 89 | 55% | 0.55 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 176.8 | -75.3 | 172.2 | 0 | 0 | 0 | 112 | A383 S384 V390 C391 | A383-L387 WeakPolarHBondContact O-CB 3.42Å; A383-L387 WeakPolarHBondContact O-CG 3.19Å; A383-L387 PolarHBondContact O-N 3.47Å; S384-L387 PolarHBondContact O-N 2.88Å; L387-V390 PolarHBondContact O-N 3.28Å; L387-C391 WeakPolarHBondContact O-CB 3.44Å; L387-C391 PolarHBondContact O-N 3.36Å; L387-C391 PolarHBondContact O-SG 3.36Å |
| 388 | M | 91.8 | Very high | 88.7 | Confident | 121 Ų | 121 | 93.3 Ų | 93.3 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.9 | -44.8 | 175.3 | -77 | -63.2 | -66.3 | 0 | 0 | 112.2 | S384 C385 F386 C391 V392 | S384-M388 WeakPolarHBondContact O-CG 3.35Å; S384-M388 PolarHBondContact O-N 2.96Å; C385-M388 PolarHBondContact O-N 3.22Å; F386-M388 VanDerWaalsContact C-N 3.31Å; F386-M388 PolarHBondContact O-N 2.93Å; M388-C391 PolarHBondContact O-N 3.28Å; M388-V392 WeakPolarHBondContact O-CG2 3.33Å; M388-V392 PolarHBondContact O-N 3.48Å |
| 389 | V | 92.7 | Very high | 88.3 | Confident | 101 Ų | 101 | 96.6 Ų | 96.6 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.7 | -45 | 177.2 | 174.5 | 0 | 0 | 0 | 0 | 111 | C385 F386 C391 V392 F393 | C385-V389 WeakPolarHBondContact O-CG2 3.47Å; C385-V389 PolarHBondContact O-N 2.84Å; C385-V389 VanDerWaalsContact O-N 3.1Å; F386-V389 PolarHBondContact O-N 3.35Å; V389-C391 PolarHBondContact O-N 2.84Å; V389-V392 PolarHBondContact O-N 3.31Å; V389-F393 WeakPolarHBondContact O-CB 3.28Å; V389-F393 PolarHBondContact O-N 3.5Å |
| 390 | V | 91.5 | Very high | 87.3 | Confident | 51 Ų | 51 | 100.1 Ų | 100.1 | 31% | 0.309 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 111 | F386 L387 V392 F393 L394 | F386-V390 HydrophobicContact CD1-CG2 4.08Å; F386-V390 HydrophobicContact CE1-CG2 3.68Å; F386-V390 HydrophobicContact CE2-CG2 4.4Å; F386-V390 HydrophobicContact CZ-CG2 3.86Å; F386-V390 WeakPolarHBondContact O-CG2 3.29Å; F386-V390 PolarHBondContact O-N 2.86Å; L387-V390 PolarHBondContact O-N 3.28Å; V390-V392 PolarHBondContact O-N 3.13Å; V390-F393 PolarHBondContact O-N 3.01Å; V390-L394 HydrophobicContact CG1-CD1 3.81Å; V390-L394 HydrophobicContact CG1-CG 4.22Å; V390-L394 WeakPolarHBondContact O-CB 3.42Å; V390-L394 VanDerWaalsContact O-CG 3.25Å; V390-L394 WeakPolarHBondContact O-CG 3.25Å; V390-L394 PolarHBondContact O-N 3.02Å |
| 391 | C | 89 | Confident | 86.1 | Confident | 75 Ų | 75 | 104.8 Ų | 104.8 | 51% | 0.507 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61 | -43.6 | 177.1 | -75.7 | 0 | 0 | 0 | 0 | 112.3 | L387 M388 V389 L394 Y395 | L387-C391 WeakPolarHBondContact O-CB 3.44Å; L387-C391 PolarHBondContact O-N 3.36Å; L387-C391 PolarHBondContact O-SG 3.36Å; M388-C391 PolarHBondContact O-N 3.28Å; V389-C391 PolarHBondContact O-N 2.84Å; C391-L394 PolarHBondContact O-N 3.29Å; C391-Y395 VanDerWaalsContact O-CB 3.28Å; C391-Y395 WeakPolarHBondContact O-CB 3.45Å; C391-Y395 PolarHBondContact O-N 2.79Å |
| 392 | V | 90.3 | Very high | 84.5 | Confident | 84 Ų | 84 | 105.9 Ų | 105.9 | 51% | 0.509 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.9 | -44 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | M388 V389 V390 Y395 V396 | M388-V392 WeakPolarHBondContact O-CG2 3.33Å; M388-V392 PolarHBondContact O-N 3.48Å; V389-V392 PolarHBondContact O-N 3.31Å; V390-V392 PolarHBondContact O-N 3.13Å; V392-Y395 PolarHBondContact O-N 3.16Å; V392-V396 WeakPolarHBondContact O-CG2 3.48Å; V392-V396 PolarHBondContact O-N 3.43Å |
| 393 | F | 89.5 | Confident | 82.9 | Confident | 127 Ų | 127 | 111.2 Ų | 111.2 | 56% | 0.557 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.3 | -47.2 | 178 | -176.4 | -102.6 | 0 | 0 | 0 | 111.8 | V389 V390 V396 L397 | V389-F393 WeakPolarHBondContact O-CB 3.28Å; V389-F393 PolarHBondContact O-N 3.5Å; V390-F393 PolarHBondContact O-N 3.01Å; F393-V396 PolarHBondContact O-N 2.86Å; F393-L397 HydrophobicContact CD1-CD1 3.77Å; F393-L397 HydrophobicContact CD1-CG 4.41Å; F393-L397 HydrophobicContact CE1-CD1 3.28Å; F393-L397 HydrophobicContact CE1-CG 4.13Å; F393-L397 HydrophobicContact CZ-CD1 3.75Å; F393-L397 HydrophobicContact CZ-CG 4.27Å; F393-L397 WeakPolarHBondContact O-CG 3.26Å; F393-L397 PolarHBondContact O-N 2.98Å |
| 394 | L | 87.4 | Confident | 81.1 | Confident | 78 Ų | 78 | 118.5 Ų | 118.5 | 41% | 0.408 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.3 | -41.2 | 175.1 | -66.6 | 173.7 | 0 | 0 | 0 | 111.5 | V390 C391 V396 L397 F398 | V390-L394 HydrophobicContact CG1-CD1 3.81Å; V390-L394 HydrophobicContact CG1-CG 4.22Å; V390-L394 WeakPolarHBondContact O-CB 3.42Å; V390-L394 VanDerWaalsContact O-CG 3.25Å; V390-L394 WeakPolarHBondContact O-CG 3.25Å; V390-L394 PolarHBondContact O-N 3.02Å; C391-L394 PolarHBondContact O-N 3.29Å; L394-V396 VanDerWaalsContact C-N 3.31Å; L394-V396 PolarHBondContact O-N 2.84Å; L394-L397 PolarHBondContact O-N 3.29Å; L394-F398 HydrophobicContact CB-CD2 4.29Å; L394-F398 HydrophobicContact CD2-CD2 4.38Å; L394-F398 HydrophobicContact CD2-CE2 3.91Å; L394-F398 WeakPolarHBondContact O-CB 3.26Å; L394-F398 VanDerWaalsContact O-CD2 3.24Å; L394-F398 WeakPolarHBondContact O-CD2 3.29Å; L394-F398 PolarHBondContact O-N 3.41Å |
| 395 | Y | 85.7 | Confident | 79 | Confident | 151 Ų | 151 | 124 Ų | 124 | 59% | 0.592 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -59.9 | -41.3 | 175.5 | 174.6 | -96.4 | 0 | 0 | 0 | 111.9 | C391 V392 K399 | C391-Y395 VanDerWaalsContact O-CB 3.28Å; C391-Y395 WeakPolarHBondContact O-CB 3.45Å; C391-Y395 PolarHBondContact O-N 2.79Å; V392-Y395 PolarHBondContact O-N 3.16Å; Y395-K399 VanDerWaalsContact O-CA 3.29Å; Y395-K399 WeakPolarHBondContact O-CA 3.43Å; Y395-K399 VanDerWaalsContact O-CB 3.26Å; Y395-K399 WeakPolarHBondContact O-CB 3.24Å; Y395-K399 PolarHBondContact O-N 3.28Å |
| 396 | V | 83.9 | Confident | 77.3 | Confident | 95 Ų | 95 | 125.8 Ų | 125.8 | 58% | 0.576 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.3 | -43.1 | 177 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | V392 F393 L394 K399 | V392-V396 WeakPolarHBondContact O-CG2 3.48Å; V392-V396 PolarHBondContact O-N 3.43Å; F393-V396 PolarHBondContact O-N 2.86Å; L394-V396 VanDerWaalsContact C-N 3.31Å; L394-V396 PolarHBondContact O-N 2.84Å; V396-K399 WeakPolarHBondContact O-CB 3.12Å |
| 397 | L | 83 | Confident | 75.3 | Confident | 108 Ų | 108 | 125.9 Ų | 125.9 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.4 | -42.8 | 178.6 | -73.5 | -178.7 | 0 | 0 | 0 | 112.9 | F393 L394 | F393-L397 HydrophobicContact CD1-CD1 3.77Å; F393-L397 HydrophobicContact CD1-CG 4.41Å; F393-L397 HydrophobicContact CE1-CD1 3.28Å; F393-L397 HydrophobicContact CE1-CG 4.13Å; F393-L397 HydrophobicContact CZ-CD1 3.75Å; F393-L397 HydrophobicContact CZ-CG 4.27Å; F393-L397 WeakPolarHBondContact O-CG 3.26Å; F393-L397 PolarHBondContact O-N 2.98Å; L394-L397 PolarHBondContact O-N 3.29Å |
| 398 | F | 79.1 | Confident | 73.4 | Confident | 160 Ų | 160 | 129 Ų | 129 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -93.1 | 5.4 | -178.7 | -68 | -70 | 0 | 0 | 0 | 113.2 | L394 P400 | L394-F398 HydrophobicContact CB-CD2 4.29Å; L394-F398 HydrophobicContact CD2-CD2 4.38Å; L394-F398 HydrophobicContact CD2-CE2 3.91Å; L394-F398 WeakPolarHBondContact O-CB 3.26Å; L394-F398 VanDerWaalsContact O-CD2 3.24Å; L394-F398 WeakPolarHBondContact O-CD2 3.29Å; L394-F398 PolarHBondContact O-N 3.41Å; F398-P400 WeakPolarHBondContact O-CD 3.38Å |
| 399 | K | 74.3 | Confident | 71.5 | Confident | 132 Ų | 132 | 127.5 Ų | 127.5 | 57% | 0.574 | 63% | 0.63 | S | S | * | * | trans | -53.8 | 110.8 | 177.9 | -167.6 | 176.2 | -177.9 | 178.2 | 0 | 107.6 | Y395 V396 K401 | Y395-K399 VanDerWaalsContact O-CA 3.29Å; Y395-K399 WeakPolarHBondContact O-CA 3.43Å; Y395-K399 VanDerWaalsContact O-CB 3.26Å; Y395-K399 WeakPolarHBondContact O-CB 3.24Å; Y395-K399 PolarHBondContact O-N 3.28Å; V396-K399 WeakPolarHBondContact O-CB 3.12Å; K399-K401 PolarHBondContact O-N 2.82Å | ||
| 400 | P | 65.1 | Low | 69.5 | Low | 110 Ų | 110 | 129.5 Ų | 129.5 | 71% | 0.714 | 64% | 0.636 | S | S | * | * | trans | -62.1 | 121.5 | 179.7 | 22.6 | -29 | 0 | 0 | 0 | 106.5 | F398 S402 | F398-P400 WeakPolarHBondContact O-CD 3.38Å; P400-S402 VanDerWaalsContact C-N 3.32Å; P400-S402 PolarHBondContact O-N 3.04Å | ||
| 401 | K | 63.8 | Low | 67.6 | Low | 200 Ų | 200 | 130.5 Ų | 130.5 | 87% | 0.87 | 65% | 0.649 | S | S | * | * | trans | -54.1 | 106.8 | 164.9 | -73.9 | -177.4 | 180 | 178.6 | 0 | 105 | K399 K403 | K399-K401 PolarHBondContact O-N 2.82Å; K401-K403 PolarHBondContact O-N 2.85Å | ||
| 402 | S | 57.6 | Low | 65.6 | Low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | trans | -45.9 | 111.3 | 172.3 | 165.8 | 0 | 0 | 0 | 0 | 106.5 | P400 K404 | P400-S402 VanDerWaalsContact C-N 3.32Å; P400-S402 PolarHBondContact O-N 3.04Å; S402-K404 PolarHBondContact O-N 2.85Å | ||
| 403 | K | 55.6 | Low | 63.7 | Low | 194 Ų | 194 | 141.6 Ų | 141.6 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | trans | -62.5 | 98.5 | 168.2 | -81.7 | -176.7 | 176.7 | 178.9 | 0 | 104.3 | K401 K405 | K401-K403 PolarHBondContact O-N 2.85Å; K403-K405 PolarHBondContact O-N 2.77Å | ||
| 404 | K | 54 | Low | 61.9 | Low | 204 Ų | 204 | 140.5 Ų | 140.5 | 89% | 0.887 | 69% | 0.687 | S | S | * | * | trans | -53.7 | 95.2 | 157.3 | -89.6 | -171.6 | 174.5 | -175.3 | 0 | 105.7 | S402 M406 | S402-K404 PolarHBondContact O-N 2.85Å; K404-M406 VanDerWaalsContact C-N 3.34Å; K404-M406 PolarHBondContact O-N 3.28Å | ||
| 405 | K | 47.7 | Very low | 60.3 | Low | 184 Ų | 184 | 141 Ų | 141 | 80% | 0.8 | 70% | 0.697 | S | S | * | * | trans | -74.6 | 92.5 | -178.3 | -157.9 | -176.1 | -174.6 | -172.1 | 0 | 106.4 | K403 D407 | K403-K405 PolarHBondContact O-N 2.77Å; K405-D407 PolarHBondContact O-N 3Å | ||
| 406 | M | 55.5 | Low | 58.6 | Low | 113 Ų | 113 | 140.6 Ų | 140.6 | 56% | 0.557 | 71% | 0.71 | S | S | * | * | trans | 49 | 58.8 | 138.8 | -154.5 | 145.7 | 72 | 0 | 0 | 118.1 | K404 Y408 I409 | K404-M406 VanDerWaalsContact C-N 3.34Å; K404-M406 PolarHBondContact O-N 3.28Å; M406-Y408 VanDerWaalsContact C-N 3.28Å; M406-Y408 HydrophobicContact CG-CD1 3.97Å; M406-Y408 HydrophobicContact CG-CE1 3.74Å; M406-Y408 HydrophobicContact SD-CE1 4.02Å; M406-I409 HydrophobicContact CE-CD1 4.16Å; M406-I409 HydrophobicContact CG-CD1 3.74Å; M406-I409 HydrophobicContact CG-CG1 3.83Å; M406-I409 HydrophobicContact SD-CD1 3.52Å; M406-I409 VanDerWaalsContact SD-CD1 3.52Å; M406-I409 HydrophobicContact SD-CG1 4.26Å | ||
| 407 | D | 50.1 | Low | 56.7 | Low | 146 Ų | 146 | 145.4 Ų | 145.4 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | trans | -86.8 | 5.9 | 162.8 | -68.4 | -35 | 0 | 0 | 0 | 113 | K405 | K405-D407 PolarHBondContact O-N 3Š| ||
| 408 | Y | 53.6 | Low | 54.8 | Low | 171 Ų | 171 | 145.1 Ų | 145.1 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -85.8 | -14.6 | -178.4 | 85 | -93.6 | 0 | 0 | 0 | 114 | M406 | M406-Y408 VanDerWaalsContact C-N 3.28Å; M406-Y408 HydrophobicContact CG-CD1 3.97Å; M406-Y408 HydrophobicContact CG-CE1 3.74Å; M406-Y408 HydrophobicContact SD-CE1 4.02Å |
| 409 | I | 51.3 | Low | 53.1 | Low | 89 Ų | 89 | 147.8 Ų | 147.8 | 46% | 0.456 | 76% | 0.76 | S | S | . | * | S | Bend | trans | -84 | -24.1 | -175.3 | -64.4 | -171.8 | 0 | 0 | 0 | 112.4 | M406 | M406-I409 HydrophobicContact CE-CD1 4.16Å; M406-I409 HydrophobicContact CG-CD1 3.74Å; M406-I409 HydrophobicContact CG-CG1 3.83Å; M406-I409 HydrophobicContact SD-CD1 3.52Å; M406-I409 VanDerWaalsContact SD-CD1 3.52Å; M406-I409 HydrophobicContact SD-CG1 4.26Å |
| 410 | L | 52.5 | Low | 52 | Low | 143 Ų | 143 | 148.6 Ų | 148.6 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -12.9 | 176.4 | -75.1 | 168.2 | 0 | 0 | 0 | 114 | ||
| 411 | A | 50.4 | Low | 51.3 | Low | 71 Ų | 71 | 150.6 Ų | 150.6 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -7.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 412 | R | 47.1 | Very low | 50.6 | Low | 221 Ų | 221 | 147.9 Ų | 147.9 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -96.5 | -5 | -177.4 | -162.9 | 168.5 | 179.3 | 156.7 | 0.9 | 114.3 | ||
| 413 | Q | 51.1 | Low | 50.2 | Low | 171 Ų | 171 | 150.4 Ų | 150.4 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -94.4 | -2.9 | -176.5 | -92.4 | -175.6 | -28.5 | 0 | 0 | 115.4 | ||
| 414 | S | 51.5 | Low | 49.9 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -110 | 12.3 | -174.3 | 56.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 415 | S | 54.1 | Low | 49.6 | Very low | 88 Ų | 88 | 143.9 Ų | 143.9 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | trans | -135.7 | 71.6 | -178.8 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 416 | T | 48.8 | Very low | 49.8 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | trans | -122.5 | 96.3 | 154.7 | -33.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 417 | F | 45.6 | Very low | 49.3 | Very low | 196 Ų | 196 | 143.2 Ų | 143.2 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -76.8 | 139.4 | 172.6 | -111.1 | -95.9 | 0 | 0 | 0 | 109.8 | ||||
| 418 | S | 42.2 | Very low | 49.3 | Very low | 102 Ų | 102 | 143 Ų | 143 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -51.6 | 142.2 | 167.2 | 46 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 419 | V | 43 | Very low | 48.9 | Very low | 217 Ų | 217 | 140.5 Ų | 140.5 | 100% | 1.315 | 78% | 0.776 | S | S | * | * | trans | -116.1 | 0 | 149.9 | 176 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 419 of 419 residues in 163.1 ms
(Link to these results)