| 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 | 84.5 | Confident | 89.8 | Confident | 170 Ų | 170 | 69.5 Ų | 69.5 | 84% | 0.837 | 38% | 0.378 | S | S | * | . | 0 | 147.3 | 0 | -72.2 | 172.3 | -74.9 | 0 | 0 | 108.1 | F14 P16 F38 | M1-F14 HydrophobicContact CB-CE1 4.08Å; M1-F14 HydrophobicContact CB-CZ 4.04Å; M1-F14 HydrophobicContact CE-CE1 4.39Å; M1-P16 HydrophobicContact SD-CG 4.48Å; M1-F38 HydrophobicContact CE-CE1 3.59Å; M1-F38 HydrophobicContact CE-CZ 3.68Å; M1-F38 HydrophobicContact SD-CZ 4.15Å | |||
| 2 | V | 89.2 | Confident | 90.2 | Very high | 124 Ų | 124 | 64.4 Ų | 64.4 | 75% | 0.752 | 35% | 0.351 | S | S | * | . | trans | -95.1 | 145.9 | 171.2 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | A17 | V2-A17 PolarHBondContact O-N 3Š| ||
| 3 | G | 89.8 | Confident | 90.4 | Very high | 28 Ų | 28 | 60 Ų | 60 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | -177.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F14 R15 | G3-F14 VanDerWaalsContact CA-CE2 3.49Å; G3-R15 CarbonylContact C-O 3.59Å; G3-R15 WeakPolarHBondContact CA-O 3.5Å |
| 4 | T | 89.9 | Confident | 90.5 | Very high | 65 Ų | 65 | 57.9 Ų | 57.9 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134 | -178.8 | -49.2 | 0 | 0 | 0 | 0 | 110.7 | Y6 R15 | T4-Y6 HydrophobicContact CG2-CD1 4.5Å; T4-Y6 HydrophobicContact CG2-CD2 4.26Å; T4-Y6 HydrophobicContact CG2-CE1 3.97Å; T4-Y6 HydrophobicContact CG2-CE2 3.7Å; T4-R15 PolarHBondContact N-O 3.43Å; T4-R15 PolarHBondContact O-N 3.33Å |
| 5 | V | 91.7 | Very high | 90.3 | Very high | 42 Ų | 42 | 56.7 Ų | 56.7 | 26% | 0.255 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.2 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 109 | L12 F14 L87 L98 | V5-L12 HydrophobicContact CG1-CD1 3.44Å; V5-L12 VanDerWaalsContact CG1-CD1 3.44Å; V5-L12 HydrophobicContact CG1-CG 4.49Å; V5-F14 HydrophobicContact CG2-CD2 3.9Å; V5-L87 HydrophobicContact CG1-CD1 4.25Å; V5-L87 HydrophobicContact CG2-CD1 4.14Å; V5-L87 HydrophobicContact CG2-CD2 4.15Å; V5-L98 HydrophobicContact CB-CD2 4.34Å; V5-L98 HydrophobicContact CG1-CD1 3.99Å; V5-L98 HydrophobicContact CG1-CD2 3.86Å |
| 6 | Y | 91.1 | Very high | 90.2 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 33% | 0.325 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.3 | 175.5 | -61.2 | -85 | 0 | 0 | 0 | 109.4 | T4 L13 R15 F32 | T4-Y6 HydrophobicContact CG2-CD1 4.5Å; T4-Y6 HydrophobicContact CG2-CD2 4.26Å; T4-Y6 HydrophobicContact CG2-CE1 3.97Å; T4-Y6 HydrophobicContact CG2-CE2 3.7Å; Y6-L13 PolarHBondContact N-O 2.68Å; Y6-L13 PolarHBondContact O-N 3.25Å; Y6-R15 HydrophobicContact CE2-CB 4.14Å; Y6-F32 HydrophobicContact CD2-CE1 4.08Å; Y6-F32 HydrophobicContact CD2-CZ 4.16Å; Y6-F32 HydrophobicContact CE2-CE1 4.32Å; Y6-F32 AromaticContact CE2-CZ 3.93Å; Y6-F32 HydrophobicContact CE2-CZ 3.93Å; Y6-F32 HydrophobicContact CG-CE1 4.25Å |
| 7 | C | 91.9 | Very high | 90 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 29% | 0.291 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 141 | 170.4 | -165 | 0 | 0 | 0 | 0 | 109.6 | L12 L98 | C7-L12 HydrophobicContact CB-CD1 4.34Å; C7-L98 HydrophobicContact CB-CD1 3.63Å |
| 8 | T | 90 | Very high | 89.5 | Confident | 47 Ų | 47 | 57 Ų | 57 | 29% | 0.288 | 32% | 0.318 | S | S | . | . | trans | -133.6 | 169 | 175.3 | 63.3 | 0 | 0 | 0 | 0 | 108.2 | F10 R11 L42 | T8-F10 PolarHBondContact O-N 3.2Å; T8-R11 PolarHBondContact N-O 2.8Å; T8-R11 WeakPolarHBondContact OG1-CG 3.28Å; T8-R11 PolarHBondContact OG1-N 3.01Å; T8-R11 PolarHBondContact OG1-O 3.44Å; T8-L42 WeakPolarHBondContact O-CD1 3.39Å | ||
| 9 | I | 88.5 | Confident | 88.4 | Confident | 50 Ų | 50 | 57.2 Ų | 57.2 | 26% | 0.256 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -59.7 | -10.9 | 178.9 | 68.7 | 172 | 0 | 0 | 0 | 114.8 | Y105 P115 I118 L119 | I9-Y105 HydrophobicContact CB-CD1 4.14Å; I9-Y105 HydrophobicContact CB-CE1 4.11Å; I9-Y105 HydrophobicContact CG2-CD1 4.34Å; I9-Y105 HydrophobicContact CG2-CE1 3.84Å; I9-Y105 HydrophobicContact CG2-CE2 4.27Å; I9-P115 WeakPolarHBondContact O-CG 3.45Å; I9-I118 HydrophobicContact CD1-CB 4.11Å; I9-I118 HydrophobicContact CD1-CD1 4.34Å; I9-I118 HydrophobicContact CD1-CG2 3.58Å; I9-L119 HydrophobicContact CD1-CD2 4.01Å; I9-L119 HydrophobicContact CD1-CG 4.33Å |
| 10 | F | 89.9 | Confident | 86.8 | Confident | 78 Ų | 78 | 58.1 Ų | 58.1 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -131.6 | -18.7 | -174 | 69.6 | -87.4 | 0 | 0 | 0 | 115.8 | T8 P41 L42 P115 L119 | T8-F10 PolarHBondContact O-N 3.2Å; F10-P41 CarbonylContact O-C 3.55Å; F10-P41 WeakPolarHBondContact O-CA 3.42Å; F10-L42 PolarHBondContact O-N 3.3Å; F10-P115 HydrophobicContact CB-CB 3.72Å; F10-P115 HydrophobicContact CB-CG 3.83Å; F10-L119 HydrophobicContact CB-CD1 3.96Å; F10-L119 HydrophobicContact CD1-CD1 3.76Å; F10-L119 HydrophobicContact CD1-CD2 4.45Å; F10-L119 HydrophobicContact CD2-CD1 4.49Å; F10-L119 HydrophobicContact CE1-CD1 4.34Å; F10-L119 HydrophobicContact CG-CD1 3.84Å |
| 11 | R | 91.5 | Very high | 85.1 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 155.6 | 178.6 | 61.5 | 173.2 | 176.7 | 164.9 | 7.7 | 113.5 | T8 F32 E39 T40 | T8-R11 PolarHBondContact N-O 2.8Å; T8-R11 WeakPolarHBondContact OG1-CG 3.28Å; T8-R11 PolarHBondContact OG1-N 3.01Å; T8-R11 PolarHBondContact OG1-O 3.44Å; R11-F32 VanDerWaalsContact CZ-O 3.27Å; R11-F32 PolarHBondContact NH1-O 3.25Å; R11-F32 PolarHBondContact NH2-O 3.41Å; R11-E39 WeakPolarHBondContact CD-OE1 3.49Å; R11-E39 IonicContact CZ-OE1 2.85Å; R11-E39 IonicContact NE-OE1 3.44Å; R11-E39 IonicContact NH1-OE1 3.37Å; R11-E39 PolarHBondContact NH1-OE1 3.02Å; R11-E39 IonicContact NH1-OE2 2.66Å; R11-E39 PolarHBondContact NH1-OE2 3.32Å; R11-T40 WeakPolarHBondContact CA-O 3.37Å |
| 12 | L | 94.2 | Very high | 83.3 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 138.5 | 163.9 | -178.9 | 66.2 | 0 | 0 | 0 | 109 | V5 C7 E39 T40 L42 I77 L98 L102 | V5-L12 HydrophobicContact CG1-CD1 3.44Å; V5-L12 VanDerWaalsContact CG1-CD1 3.44Å; V5-L12 HydrophobicContact CG1-CG 4.49Å; C7-L12 HydrophobicContact CB-CD1 4.34Å; L12-E39 WeakPolarHBondContact O-CA 3.15Å; L12-T40 HydrophobicContact CB-CG2 4Å; L12-T40 HydrophobicContact CD2-CG2 4.33Å; L12-T40 PolarHBondContact N-O 2.89Å; L12-T40 PolarHBondContact O-N 3.39Å; L12-L42 HydrophobicContact CB-CD2 3.73Å; L12-I77 HydrophobicContact CD2-CD1 3.3Å; L12-L98 HydrophobicContact CD1-CD1 4.13Å; L12-L102 HydrophobicContact CB-CD2 4.39Å; L12-L102 HydrophobicContact CD1-CD2 4.24Å; L12-L102 HydrophobicContact CD2-CD2 4.2Å |
| 13 | L | 93 | Very high | 81.4 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.037 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 135.2 | 173.6 | 173.5 | 63 | 0 | 0 | 0 | 110.5 | Y6 F32 F38 E39 | Y6-L13 PolarHBondContact N-O 2.68Å; Y6-L13 PolarHBondContact O-N 3.25Å; L13-F32 HydrophobicContact CD2-CD1 3.95Å; L13-F32 HydrophobicContact CD2-CE1 3.64Å; L13-F32 HydrophobicContact CD2-CZ 4.46Å; L13-F38 WeakPolarHBondContact CA-O 3.34Å; L13-F38 HydrophobicContact CD1-CB 4.5Å; L13-E39 HydrophobicContact CB-CG 4.37Å; L13-E39 HydrophobicContact CD1-CB 3.88Å; L13-E39 HydrophobicContact CD1-CG 4.16Å |
| 14 | F | 91.6 | Very high | 79.2 | Confident | 30 Ų | 30 | 61 Ų | 61 | 13% | 0.132 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.3 | 164.3 | 171.8 | -103.6 | 0 | 0 | 0 | 110.6 | M1 G3 V5 P16 F38 | M1-F14 HydrophobicContact CB-CE1 4.08Å; M1-F14 HydrophobicContact CB-CZ 4.04Å; M1-F14 HydrophobicContact CE-CE1 4.39Å; G3-F14 VanDerWaalsContact CA-CE2 3.49Å; V5-F14 HydrophobicContact CG2-CD2 3.9Å; F14-P16 HydrophobicContact CD1-CG 4.25Å; F14-P16 HydrophobicContact CE1-CB 4.23Å; F14-P16 HydrophobicContact CE1-CG 3.81Å; F14-F38 HydrophobicContact CB-CB 4.21Å; F14-F38 HydrophobicContact CD1-CB 4.37Å; F14-F38 HydrophobicContact CD1-CD1 4.32Å; F14-F38 HydrophobicContact CD1-CG 4.16Å; F14-F38 PolarHBondContact N-O 3.2Å; F14-F38 WeakPolarHBondContact O-CB 3.43Å |
| 15 | R | 88 | Confident | 76.8 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 16% | 0.155 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 113.2 | 171.2 | -174.4 | 177.6 | -175.7 | -177.1 | -1.1 | 109.5 | G3 T4 Y6 D19 V20 | G3-R15 CarbonylContact C-O 3.59Å; G3-R15 WeakPolarHBondContact CA-O 3.5Å; T4-R15 PolarHBondContact N-O 3.43Å; T4-R15 PolarHBondContact O-N 3.33Å; Y6-R15 HydrophobicContact CE2-CB 4.14Å; R15-D19 HydrophobicContact CG-CB 4.38Å; R15-D19 PolarHBondContact NE-O 3.46Å; R15-D19 PolarHBondContact NH2-O 3.38Å; R15-V20 HydrophobicContact CG-CG2 4.38Å |
| 16 | P | 88.6 | Confident | 74.4 | Confident | 10 Ų | 10 | 69 Ų | 69 | 7% | 0.065 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 142.9 | 173.2 | -21.4 | 30.8 | 0 | 0 | 0 | 111.9 | M1 F14 T18 D19 F38 | M1-P16 HydrophobicContact SD-CG 4.48Å; F14-P16 HydrophobicContact CD1-CG 4.25Å; F14-P16 HydrophobicContact CE1-CB 4.23Å; F14-P16 HydrophobicContact CE1-CG 3.81Å; P16-T18 PolarHBondContact O-N 3.34Å; P16-D19 HydrophobicContact CB-CB 4.36Å; P16-D19 WeakPolarHBondContact O-CB 3.47Å; P16-D19 PolarHBondContact O-N 2.91Å; P16-F38 HydrophobicContact CG-CD2 3.98Å; P16-F38 HydrophobicContact CG-CE2 3.69Å; P16-F38 HydrophobicContact CG-CZ 4.42Å |
| 17 | A | 86 | Confident | 72.1 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 42% | 0.421 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -33 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V2 D19 V20 | V2-A17 PolarHBondContact O-N 3Å; A17-D19 PolarHBondContact O-N 3.19Å; A17-V20 WeakPolarHBondContact O-CB 3.36Å; A17-V20 PolarHBondContact O-N 3.04Å; A17-V20 VanDerWaalsContact O-N 3.09Å |
| 18 | T | 81.3 | Confident | 69.7 | Low | 114 Ų | 114 | 73.4 Ų | 73.4 | 70% | 0.699 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.6 | -31.7 | 172.7 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | P16 V20 A21 | P16-T18 PolarHBondContact O-N 3.34Å; T18-V20 VanDerWaalsContact C-N 3.3Å; T18-A21 PolarHBondContact O-N 3.35Å |
| 19 | D | 68.7 | Low | 67.4 | Low | 61 Ų | 61 | 79.2 Ų | 79.2 | 33% | 0.326 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -83.8 | -6.7 | -179 | -144.7 | 44.5 | 0 | 0 | 0 | 112.4 | R15 P16 A17 | R15-D19 HydrophobicContact CG-CB 4.38Å; R15-D19 PolarHBondContact NE-O 3.46Å; R15-D19 PolarHBondContact NH2-O 3.38Å; P16-D19 HydrophobicContact CB-CB 4.36Å; P16-D19 WeakPolarHBondContact O-CB 3.47Å; P16-D19 PolarHBondContact O-N 2.91Å; A17-D19 PolarHBondContact O-N 3.19Å |
| 20 | V | 57.1 | Low | 65.3 | Low | 75 Ų | 75 | 83.2 Ų | 83.2 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -80.7 | -36.9 | 169.4 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | R15 A17 T18 C22 | R15-V20 HydrophobicContact CG-CG2 4.38Å; A17-V20 WeakPolarHBondContact O-CB 3.36Å; A17-V20 PolarHBondContact O-N 3.04Å; A17-V20 VanDerWaalsContact O-N 3.09Å; T18-V20 VanDerWaalsContact C-N 3.3Å; V20-C22 VanDerWaalsContact C-N 3.31Å; V20-C22 PolarHBondContact O-N 2.94Å |
| 21 | A | 51.7 | Low | 63.5 | Low | 95 Ų | 95 | 88.6 Ų | 88.6 | 79% | 0.785 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.2 | -23.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T18 | T18-A21 PolarHBondContact O-N 3.35Å |
| 22 | C | 46.8 | Very low | 61.8 | Low | 104 Ų | 104 | 90.9 Ų | 90.9 | 70% | 0.703 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -3.5 | -162.7 | -143.9 | 0 | 0 | 0 | 0 | 115.5 | V20 | V20-C22 VanDerWaalsContact C-N 3.31Å; V20-C22 PolarHBondContact O-N 2.94Å |
| 23 | K | 48.3 | Very low | 60.2 | Low | 141 Ų | 141 | 96.8 Ų | 96.8 | 61% | 0.613 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -142.2 | 123.7 | -179 | -68.9 | 178.7 | -176 | 156.5 | 0 | 112.1 | ||
| 24 | S | 42.8 | Very low | 58.8 | Low | 100 Ų | 100 | 97.3 Ų | 97.3 | 70% | 0.699 | 54% | 0.544 | S | S | * | . | trans | -65.5 | 152.6 | 178.6 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | F26 | S24-F26 VanDerWaalsContact C-N 3.33Å; S24-F26 PolarHBondContact O-N 3.03Å | ||
| 25 | S | 39.6 | Very low | 58.2 | Low | 102 Ų | 102 | 98.6 Ų | 98.6 | 71% | 0.713 | 55% | 0.552 | S | S | * | * | trans | -73.4 | 66.9 | -165 | -62.7 | 0 | 0 | 0 | 0 | 115.6 | F27 | S25-F27 PolarHBondContact O-N 3.24Š| ||
| 26 | F | 41.4 | Very low | 57.9 | Low | 175 Ų | 175 | 101.3 Ų | 101.3 | 77% | 0.768 | 58% | 0.575 | S | S | * | * | trans | -74 | 54.3 | 163.1 | -85.2 | -80.2 | 0 | 0 | 0 | 112.3 | S24 G28 | S24-F26 VanDerWaalsContact C-N 3.33Å; S24-F26 PolarHBondContact O-N 3.03Å; F26-G28 PolarHBondContact O-N 3.35Å | ||
| 27 | F | 44.2 | Very low | 57.8 | Low | 147 Ų | 147 | 107.5 Ų | 107.5 | 65% | 0.645 | 60% | 0.601 | S | S | * | * | trans | -71.8 | -4.9 | 179.1 | -97.2 | -93.8 | 0 | 0 | 0 | 114.4 | S25 | S25-F27 PolarHBondContact O-N 3.24Š| ||
| 28 | G | 40.3 | Very low | 57.9 | Low | 71 Ų | 71 | 107.5 Ų | 107.5 | 73% | 0.732 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -76.5 | -52.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | F26 | F26-G28 PolarHBondContact O-N 3.35Š|
| 29 | I | 42.9 | Very low | 58.4 | Low | 169 Ų | 169 | 104.2 Ų | 104.2 | 87% | 0.867 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -137.2 | -25.7 | -159.9 | -59.4 | -178.1 | 0 | 0 | 0 | 114.1 | ||
| 30 | I | 43.2 | Very low | 59.6 | Low | 133 Ų | 133 | 101.4 Ų | 101.4 | 68% | 0.682 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -87.3 | 136.4 | -174.6 | -57.6 | 178.3 | 0 | 0 | 0 | 109.9 | F32 | I30-F32 PolarHBondContact O-N 3.33Š|
| 31 | R | 52.2 | Low | 61.3 | Low | 191 Ų | 191 | 101.1 Ų | 101.1 | 72% | 0.721 | 55% | 0.553 | S | S | * | * | trans | -49.1 | 129.7 | 177.7 | -70.5 | 179.8 | 175.8 | 174.7 | -1 | 110.6 | I33 | R31-I33 VanDerWaalsContact C-N 3.34Å; R31-I33 HydrophobicContact CB-CD1 4.28Å; R31-I33 HydrophobicContact CB-CG1 4.2Å; R31-I33 WeakPolarHBondContact O-CG1 3.38Å; R31-I33 PolarHBondContact O-N 3.03Å | ||
| 32 | F | 55.9 | Low | 63.4 | Low | 82 Ų | 82 | 96.6 Ų | 96.6 | 36% | 0.36 | 52% | 0.515 | S | S | . | . | trans | -66.6 | 87.2 | 176.4 | -169.1 | -114.2 | 0 | 0 | 0 | 110.3 | Y6 R11 L13 I30 | Y6-F32 HydrophobicContact CD2-CE1 4.08Å; Y6-F32 HydrophobicContact CD2-CZ 4.16Å; Y6-F32 HydrophobicContact CE2-CE1 4.32Å; Y6-F32 AromaticContact CE2-CZ 3.93Å; Y6-F32 HydrophobicContact CE2-CZ 3.93Å; Y6-F32 HydrophobicContact CG-CE1 4.25Å; R11-F32 VanDerWaalsContact CZ-O 3.27Å; R11-F32 PolarHBondContact NH1-O 3.25Å; R11-F32 PolarHBondContact NH2-O 3.41Å; L13-F32 HydrophobicContact CD2-CD1 3.95Å; L13-F32 HydrophobicContact CD2-CE1 3.64Å; L13-F32 HydrophobicContact CD2-CZ 4.46Å; I30-F32 PolarHBondContact O-N 3.33Å | ||
| 33 | I | 60.4 | Low | 65.6 | Low | 133 Ų | 133 | 94.8 Ų | 94.8 | 68% | 0.682 | 50% | 0.498 | S | S | * | . | trans | -96.9 | 120.9 | -178.9 | -66.9 | 159 | 0 | 0 | 0 | 108 | R31 | R31-I33 VanDerWaalsContact C-N 3.34Å; R31-I33 HydrophobicContact CB-CD1 4.28Å; R31-I33 HydrophobicContact CB-CG1 4.2Å; R31-I33 WeakPolarHBondContact O-CG1 3.38Å; R31-I33 PolarHBondContact O-N 3.03Å | ||
| 34 | G | 64 | Low | 67.8 | Low | 19 Ų | 19 | 89.4 Ų | 89.4 | 20% | 0.196 | 48% | 0.476 | C | S | . | . | trans | -83.9 | 179.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P36 E39 | G34-P36 WeakPolarHBondContact O-CD 3.47Å; G34-E39 PolarHBondContact N-OE2 3.18Å | ||
| 35 | D | 79.4 | Confident | 70.3 | Confident | 56 Ų | 56 | 84.6 Ų | 84.6 | 30% | 0.299 | 44% | 0.443 | S | S | . | . | trans | -67.9 | 123.7 | 159.4 | -175.6 | -30.1 | 0 | 0 | 0 | 107.5 | K37 F38 E39 | D35-K37 PolarHBondContact O-N 2.96Å; D35-K37 VanDerWaalsContact OD1-CB 3.31Å; D35-K37 WeakPolarHBondContact OD1-CB 3.5Å; D35-K37 WeakPolarHBondContact OD1-CG 3.22Å; D35-K37 PolarHBondContact OD1-N 3.09Å; D35-K37 IonicContact OD1-NZ 3.4Å; D35-K37 IonicContact OD2-NZ 2.69Å; D35-K37 PolarHBondContact OD2-NZ 2.89Å; D35-F38 HydrophobicContact CB-CD2 4Å; D35-F38 HydrophobicContact CB-CE2 4.49Å; D35-F38 PolarHBondContact O-N 2.99Å; D35-E39 PolarHBondContact O-N 3.38Å | ||
| 36 | P | 82.3 | Confident | 72.8 | Confident | 98 Ų | 98 | 82.6 Ų | 82.6 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -53.3 | -24 | 177.5 | -28.4 | 36.6 | 0 | 0 | 0 | 114.8 | G34 F38 E39 R83 | G34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-F38 PolarHBondContact O-N 2.99Å; P36-E39 PolarHBondContact O-N 3.48Å; P36-R83 PolarHBondContact O-NH1 2.78Å |
| 37 | K | 84.7 | Confident | 75.3 | Confident | 140 Ų | 140 | 76 Ų | 76 | 61% | 0.609 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -60.5 | -30.6 | 172.8 | -63.6 | 169.5 | -154.4 | 133.6 | 0 | 112.7 | D35 F85 | D35-K37 PolarHBondContact O-N 2.96Å; D35-K37 VanDerWaalsContact OD1-CB 3.31Å; D35-K37 WeakPolarHBondContact OD1-CB 3.5Å; D35-K37 WeakPolarHBondContact OD1-CG 3.22Å; D35-K37 PolarHBondContact OD1-N 3.09Å; D35-K37 IonicContact OD1-NZ 3.4Å; D35-K37 IonicContact OD2-NZ 2.69Å; D35-K37 PolarHBondContact OD2-NZ 2.89Å; K37-F85 WeakPolarHBondContact O-CE1 3.45Å |
| 38 | F | 88.8 | Confident | 77.7 | Confident | 51 Ų | 51 | 69 Ų | 69 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -109.4 | 5.3 | -176.4 | -54.1 | -43.6 | 0 | 0 | 0 | 113.4 | M1 L13 F14 P16 D35 P36 | M1-F38 HydrophobicContact CE-CE1 3.59Å; M1-F38 HydrophobicContact CE-CZ 3.68Å; M1-F38 HydrophobicContact SD-CZ 4.15Å; L13-F38 WeakPolarHBondContact CA-O 3.34Å; L13-F38 HydrophobicContact CD1-CB 4.5Å; F14-F38 HydrophobicContact CB-CB 4.21Å; F14-F38 HydrophobicContact CD1-CB 4.37Å; F14-F38 HydrophobicContact CD1-CD1 4.32Å; F14-F38 HydrophobicContact CD1-CG 4.16Å; F14-F38 PolarHBondContact N-O 3.2Å; F14-F38 WeakPolarHBondContact O-CB 3.43Å; P16-F38 HydrophobicContact CG-CD2 3.98Å; P16-F38 HydrophobicContact CG-CE2 3.69Å; P16-F38 HydrophobicContact CG-CZ 4.42Å; D35-F38 HydrophobicContact CB-CD2 4Å; D35-F38 HydrophobicContact CB-CE2 4.49Å; D35-F38 PolarHBondContact O-N 2.99Å; P36-F38 PolarHBondContact O-N 2.99Å |
| 39 | E | 91.9 | Very high | 80.3 | Confident | 45 Ų | 45 | 67.2 Ų | 67.2 | 21% | 0.21 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 135.8 | 177.7 | -159.7 | 169.7 | 140 | 0 | 0 | 111.3 | R11 L12 L13 G34 D35 P36 R83 | R11-E39 WeakPolarHBondContact CD-OE1 3.49Å; R11-E39 IonicContact CZ-OE1 2.85Å; R11-E39 IonicContact NE-OE1 3.44Å; R11-E39 IonicContact NH1-OE1 3.37Å; R11-E39 PolarHBondContact NH1-OE1 3.02Å; R11-E39 IonicContact NH1-OE2 2.66Å; R11-E39 PolarHBondContact NH1-OE2 3.32Å; L12-E39 WeakPolarHBondContact O-CA 3.15Å; L13-E39 HydrophobicContact CB-CG 4.37Å; L13-E39 HydrophobicContact CD1-CB 3.88Å; L13-E39 HydrophobicContact CD1-CG 4.16Å; G34-E39 PolarHBondContact N-OE2 3.18Å; D35-E39 PolarHBondContact O-N 3.38Å; P36-E39 PolarHBondContact O-N 3.48Å; E39-R83 PolarHBondContact O-NH1 3.38Å; E39-R83 PolarHBondContact O-NH2 3.13Å; E39-R83 VanDerWaalsContact O-NH2 3.13Å |
| 40 | T | 93.5 | Very high | 82.8 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 131.9 | 172.4 | -171.3 | 0 | 0 | 0 | 0 | 110.8 | R11 L12 N44 F85 | R11-T40 WeakPolarHBondContact CA-O 3.37Å; L12-T40 HydrophobicContact CB-CG2 4Å; L12-T40 HydrophobicContact CD2-CG2 4.33Å; L12-T40 PolarHBondContact N-O 2.89Å; L12-T40 PolarHBondContact O-N 3.39Å; T40-N44 PolarHBondContact OG1-ND2 2.74Å; T40-F85 HydrophobicContact CG2-CD2 4.36Å; T40-F85 HydrophobicContact CG2-CE2 3.83Å; T40-F85 HydrophobicContact CG2-CZ 4.27Å |
| 41 | P | 93.6 | Very high | 85.2 | Confident | 69 Ų | 69 | 54.9 Ų | 54.9 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 143.2 | 169.9 | -20.9 | 32.5 | 0 | 0 | 0 | 110.5 | F10 L43 N44 | F10-P41 CarbonylContact O-C 3.55Å; F10-P41 WeakPolarHBondContact O-CA 3.42Å; P41-L43 VanDerWaalsContact C-N 3.27Å; P41-L43 PolarHBondContact O-N 3.47Å; P41-N44 HydrophobicContact CB-CB 4.16Å; P41-N44 HydrophobicContact CG-CB 4.33Å; P41-N44 WeakPolarHBondContact O-CA 3.42Å; P41-N44 VanDerWaalsContact O-CB 3.23Å; P41-N44 WeakPolarHBondContact O-CB 3.44Å; P41-N44 PolarHBondContact O-N 2.98Å |
| 42 | L | 94.4 | Very high | 87 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -65.3 | -33.9 | -179.6 | -62.9 | -169.2 | 0 | 0 | 0 | 112.1 | T8 F10 L12 N44 I45 L102 Y105 S106 | T8-L42 WeakPolarHBondContact O-CD1 3.39Å; F10-L42 PolarHBondContact O-N 3.3Å; L12-L42 HydrophobicContact CB-CD2 3.73Å; L42-N44 PolarHBondContact O-N 3.49Å; L42-N44 VanDerWaalsContact O-N 3.16Å; L42-I45 HydrophobicContact CD2-CD1 3.85Å; L42-I45 WeakPolarHBondContact O-CB 3.13Å; L42-I45 PolarHBondContact O-N 2.8Å; L42-L102 HydrophobicContact CD2-CD2 3.48Å; L42-L102 VanDerWaalsContact CD2-CD2 3.48Å; L42-Y105 VanDerWaalsContact CD1-CB 3.44Å; L42-Y105 HydrophobicContact CD1-CG 4.44Å; L42-S106 WeakPolarHBondContact O-CB 3.25Å |
| 43 | L | 93.6 | Very high | 88.5 | Confident | 67 Ų | 67 | 50 Ų | 50 | 35% | 0.351 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -66.7 | -12.7 | 172.3 | -55.7 | -173.1 | 0 | 0 | 0 | 114 | P41 K80 P108 F114 | P41-L43 VanDerWaalsContact C-N 3.27Å; P41-L43 PolarHBondContact O-N 3.47Å; L43-K80 PolarHBondContact O-NZ 2.91Å; L43-P108 HydrophobicContact CD2-CG 4.08Å; L43-F114 HydrophobicContact CD1-CD1 3.8Å; L43-F114 HydrophobicContact CD1-CE1 4.29Å; L43-F114 HydrophobicContact CD2-CD1 3.79Å; L43-F114 HydrophobicContact CD2-CE1 3.94Å; L43-F114 HydrophobicContact CG-CD1 4.46Å |
| 44 | N | 94.6 | Very high | 89.7 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 14% | 0.144 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -83.3 | -16.1 | 171.9 | -178.8 | 49 | 0 | 0 | 0 | 112.1 | T40 P41 L42 H46 C79 K80 D81 | T40-N44 PolarHBondContact OG1-ND2 2.74Å; P41-N44 HydrophobicContact CB-CB 4.16Å; P41-N44 HydrophobicContact CG-CB 4.33Å; P41-N44 WeakPolarHBondContact O-CA 3.42Å; P41-N44 VanDerWaalsContact O-CB 3.23Å; P41-N44 WeakPolarHBondContact O-CB 3.44Å; P41-N44 PolarHBondContact O-N 2.98Å; L42-N44 PolarHBondContact O-N 3.49Å; L42-N44 VanDerWaalsContact O-N 3.16Å; N44-H46 PolarHBondContact O-N 3.34Å; N44-C79 CarbonylContact O-C 3.58Å; N44-C79 WeakPolarHBondContact O-CA 3.47Å; N44-K80 WeakPolarHBondContact O-CB 3.44Å; N44-K80 WeakPolarHBondContact O-CG 3.49Å; N44-K80 PolarHBondContact O-N 3.07Å; N44-D81 PolarHBondContact ND2-OD1 2.98Å; N44-D81 PolarHBondContact ND2-OD2 3.2Å; N44-D81 PolarHBondContact OD1-N 2.88Å |
| 45 | I | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 130.7 | 174.5 | -61.5 | 175.6 | 0 | 0 | 0 | 108.7 | L42 L48 I77 K80 L102 F107 | L42-I45 HydrophobicContact CD2-CD1 3.85Å; L42-I45 WeakPolarHBondContact O-CB 3.13Å; L42-I45 PolarHBondContact O-N 2.8Å; I45-L48 HydrophobicContact CG2-CD2 3.88Å; I45-L48 HydrophobicContact CG2-CG 4.22Å; I45-I77 HydrophobicContact CB-CG2 4.29Å; I45-I77 HydrophobicContact CD1-CG2 3.58Å; I45-I77 HydrophobicContact CG1-CG2 3.59Å; I45-I77 HydrophobicContact CG2-CG2 3.8Å; I45-K80 WeakPolarHBondContact O-CE 3.24Å; I45-K80 PolarHBondContact O-NZ 2.52Å; I45-L102 HydrophobicContact CD1-CD2 3.98Å; I45-F107 HydrophobicContact CG2-CZ 4.02Å |
| 46 | H | 92.8 | Very high | 90.7 | Very high | 60 Ų | 60 | 51.6 Ų | 51.6 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -48 | 177.3 | 169.5 | 88.6 | 0 | 0 | 0 | 110.6 | N44 L78 K80 E263 R266 | N44-H46 PolarHBondContact O-N 3.34Å; H46-L78 WeakPolarHBondContact CA-O 3.27Å; H46-L78 WeakPolarHBondContact CB-O 3.41Å; H46-L78 PolarHBondContact N-O 3.19Å; H46-K80 HydrophobicContact CB-CG 3.78Å; H46-E263 IonicContact CE1-OE2 3.16Å; H46-E263 PolarHBondContact CE1-OE2 3.44Å; H46-E263 VanDerWaalsContact CE1-OE2 3.26Å; H46-E263 IonicContact NE2-OE1 3.76Å; H46-E263 IonicContact NE2-OE2 3.28Å; H46-E263 PolarHBondContact NE2-OE2 2.99Å; H46-R266 PolarHBondContact CD2-NE 3.01Å; H46-R266 VanDerWaalsContact CD2-NE 3.3Å; H46-R266 PolarHBondContact CD2-NH2 3.22Å; H46-R266 PolarHBondContact NE2-NE 2.79Å; H46-R266 PolarHBondContact NE2-NH2 2.92Å |
| 47 | H | 93.1 | Very high | 90.6 | Very high | 36 Ų | 36 | 55.7 Ų | 55.7 | 17% | 0.167 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 151.6 | -175 | -170.5 | -118.7 | 0 | 0 | 0 | 110.9 | E49 H63 L78 | H47-E49 IonicContact CE1-OE1 2.98Å; H47-E49 WeakPolarHBondContact ND1-CG 3.22Å; H47-E49 IonicContact ND1-OE1 2.78Å; H47-E49 PolarHBondContact ND1-OE1 3.49Å; H47-H63 AromaticContact CD2-CE1 3.94Å; H47-H63 AromaticContact NE2-CE1 3.33Å; H47-H63 PolarHBondContact NE2-CE1 3.32Å; H47-H63 VanDerWaalsContact NE2-CE1 3.33Å; H47-L78 HydrophobicContact CB-CB 4.38Å; H47-L78 HydrophobicContact CB-CD1 4.28Å; H47-L78 PolarHBondContact N-O 2.94Å; H47-L78 VanDerWaalsContact N-O 3.11Å; H47-L78 PolarHBondContact O-N 3.45Å |
| 48 | L | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 139.7 | 174.4 | -65.9 | 178.7 | 0 | 0 | 0 | 108.9 | I45 L62 I77 L102 L103 F107 | I45-L48 HydrophobicContact CG2-CD2 3.88Å; I45-L48 HydrophobicContact CG2-CG 4.22Å; L48-L62 HydrophobicContact CB-CB 4.01Å; L48-L62 HydrophobicContact CB-CD2 4.16Å; L48-L62 HydrophobicContact CD1-CD2 4.26Å; L48-L62 WeakPolarHBondContact O-CB 3.34Å; L48-L62 PolarHBondContact O-N 3.22Å; L48-I77 HydrophobicContact CD2-CB 4.14Å; L48-I77 HydrophobicContact CD2-CG1 3.82Å; L48-I77 HydrophobicContact CD2-CG2 3.89Å; L48-L102 HydrophobicContact CD1-CB 4.02Å; L48-L103 HydrophobicContact CD1-CD2 4Å; L48-L103 HydrophobicContact CD1-CG 4.12Å; L48-F107 HydrophobicContact CD1-CE2 3.94Å; L48-F107 HydrophobicContact CG-CE2 4.09Å; L48-F107 HydrophobicContact CG-CZ 4.33Å |
| 49 | E | 94.7 | Very high | 90.9 | Very high | 33 Ų | 33 | 54.8 Ų | 54.8 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.4 | 173.5 | -55.2 | 170.6 | -178.7 | 0 | 0 | 110 | H47 F59 K60 L75 K76 L78 | H47-E49 IonicContact CE1-OE1 2.98Å; H47-E49 WeakPolarHBondContact ND1-CG 3.22Å; H47-E49 IonicContact ND1-OE1 2.78Å; H47-E49 PolarHBondContact ND1-OE1 3.49Å; E49-F59 HydrophobicContact CB-CB 3.94Å; E49-F59 HydrophobicContact CB-CD1 4.13Å; E49-F59 HydrophobicContact CB-CG 4.49Å; E49-F59 WeakPolarHBondContact OE2-CB 3.49Å; E49-K60 CarbonylContact C-O 3.5Å; E49-K60 WeakPolarHBondContact CA-O 3.36Å; E49-K60 WeakPolarHBondContact CB-O 3.45Å; E49-L75 CarbonylContact O-C 3.59Å; E49-L75 WeakPolarHBondContact O-CA 3.3Å; E49-K76 HydrophobicContact CB-CB 4.3Å; E49-K76 PolarHBondContact N-O 3.42Å; E49-K76 PolarHBondContact O-N 2.95Å; E49-K76 WeakPolarHBondContact OE2-CE 3.26Å; E49-K76 IonicContact OE2-NZ 3.12Å; E49-K76 PolarHBondContact OE2-NZ 3.21Å; E49-L78 HydrophobicContact CG-CD1 3.92Å |
| 50 | Y | 94.4 | Very high | 90.9 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 17% | 0.173 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 154.1 | 177.6 | 75.1 | -76.6 | 0 | 0 | 0 | 112.2 | T52 F59 K60 L62 I72 S74 | Y50-T52 HydrophobicContact CD2-CG2 4.31Å; Y50-T52 HydrophobicContact CE2-CG2 3.82Å; Y50-F59 CarbonylContact O-C 3.55Å; Y50-F59 WeakPolarHBondContact O-CA 3.39Å; Y50-K60 HydrophobicContact CD1-CB 4.39Å; Y50-K60 WeakPolarHBondContact CD1-O 3.4Å; Y50-K60 HydrophobicContact CE1-CB 4.04Å; Y50-K60 PolarHBondContact N-O 2.87Å; Y50-K60 PolarHBondContact O-N 3.02Å; Y50-L62 HydrophobicContact CD1-CB 4.13Å; Y50-L62 HydrophobicContact CD1-CD1 3.84Å; Y50-L62 HydrophobicContact CE1-CD1 4.02Å; Y50-I72 HydrophobicContact CD2-CD1 4.27Å; Y50-I72 HydrophobicContact CD2-CG1 3.77Å; Y50-I72 HydrophobicContact CG-CD1 4.03Å; Y50-I72 HydrophobicContact CG-CG1 4.05Å; Y50-S74 CarbonylContact C-O 3.29Å; Y50-S74 VanDerWaalsContact CA-O 3.3Å; Y50-S74 WeakPolarHBondContact CA-O 3.33Å |
| 51 | S | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 151.3 | 167.6 | 67.3 | 0 | 0 | 0 | 0 | 110.8 | S56 Y73 S74 | S51-S56 VanDerWaalsContact CB-O 3.32Å; S51-S56 WeakPolarHBondContact CB-O 3.05Å; S51-S56 PolarHBondContact OG-O 2.87Å; S51-Y73 WeakPolarHBondContact O-CB 3.23Å; S51-Y73 PolarHBondContact O-N 3.16Å; S51-S74 PolarHBondContact N-O 2.99Å; S51-S74 PolarHBondContact O-N 2.75Å |
| 52 | T | 91.1 | Very high | 90.9 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 10% | 0.104 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 160.4 | 178.7 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | Y50 T54 D55 S56 | Y50-T52 HydrophobicContact CD2-CG2 4.31Å; Y50-T52 HydrophobicContact CE2-CG2 3.82Å; T52-T54 PolarHBondContact O-N 3.31Å; T52-T54 VanDerWaalsContact O-N 3.14Å; T52-T54 PolarHBondContact OG1-OG1 3.43Å; T52-D55 CarbonylContact O-C 3.21Å; T52-D55 PolarHBondContact O-N 3.18Å; T52-S56 WeakPolarHBondContact O-CA 3.37Å; T52-S56 PolarHBondContact O-N 3.18Å; T52-S56 VanDerWaalsContact O-N 3.14Å |
| 53 | K | 86.4 | Confident | 90.6 | Very high | 152 Ų | 152 | 63.7 Ų | 63.7 | 66% | 0.661 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -29.6 | 178.8 | -174.7 | 178.6 | 177.2 | -177.7 | 0 | 112.6 | Y73 | K53-Y73 HydrophobicContact CB-CD2 4.03Å; K53-Y73 HydrophobicContact CG-CD2 4.09Å; K53-Y73 HydrophobicContact CG-CE2 4.5Å |
| 54 | T | 84.9 | Confident | 90.5 | Very high | 125 Ų | 125 | 64.4 Ų | 64.4 | 77% | 0.767 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -22.8 | 176.3 | 45.6 | 0 | 0 | 0 | 0 | 115.1 | T52 | T52-T54 PolarHBondContact O-N 3.31Å; T52-T54 VanDerWaalsContact O-N 3.14Å; T52-T54 PolarHBondContact OG1-OG1 3.43Å |
| 55 | D | 84.6 | Confident | 90.4 | Very high | 63 Ų | 63 | 69 Ų | 69 | 34% | 0.337 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 64.8 | -177.1 | -167.8 | -6.4 | 0 | 0 | 0 | 109.5 | T52 K57 K58 | T52-D55 CarbonylContact O-C 3.21Å; T52-D55 PolarHBondContact O-N 3.18Å; D55-K57 PolarHBondContact O-N 3.29Å; D55-K57 VanDerWaalsContact O-N 3.12Å; D55-K58 HydrophobicContact CB-CB 4.37Å; D55-K58 PolarHBondContact O-N 3.11Å; D55-K58 VanDerWaalsContact O-N 3.14Å; D55-K58 WeakPolarHBondContact OD1-CB 3.5Å; D55-K58 PolarHBondContact OD1-N 2.98Å; D55-K58 WeakPolarHBondContact OD2-CB 3.41Å; D55-K58 WeakPolarHBondContact OD2-CD 3.41Å |
| 56 | S | 81.2 | Confident | 90.3 | Very high | 55 Ų | 55 | 69.8 Ų | 69.8 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | -18 | -171 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | S51 T52 | S51-S56 VanDerWaalsContact CB-O 3.32Å; S51-S56 WeakPolarHBondContact CB-O 3.05Å; S51-S56 PolarHBondContact OG-O 2.87Å; T52-S56 WeakPolarHBondContact O-CA 3.37Å; T52-S56 PolarHBondContact O-N 3.18Å; T52-S56 VanDerWaalsContact O-N 3.14Å |
| 57 | K | 80.7 | Confident | 90.1 | Very high | 183 Ų | 183 | 69.1 Ų | 69.1 | 80% | 0.796 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -27.7 | 177.1 | -65.6 | -176.5 | 179.4 | 179.6 | 0 | 113 | D55 F59 | D55-K57 PolarHBondContact O-N 3.29Å; D55-K57 VanDerWaalsContact O-N 3.12Å; K57-F59 PolarHBondContact O-N 2.84Å |
| 58 | K | 87.4 | Confident | 89.6 | Confident | 128 Ų | 128 | 76.4 Ų | 76.4 | 56% | 0.557 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 103.3 | -176.6 | -167.4 | 176 | -172.8 | 172.2 | 0 | 111.2 | D55 | D55-K58 HydrophobicContact CB-CB 4.37Å; D55-K58 PolarHBondContact O-N 3.11Å; D55-K58 VanDerWaalsContact O-N 3.14Å; D55-K58 WeakPolarHBondContact OD1-CB 3.5Å; D55-K58 PolarHBondContact OD1-N 2.98Å; D55-K58 WeakPolarHBondContact OD2-CB 3.41Å; D55-K58 WeakPolarHBondContact OD2-CD 3.41Å |
| 59 | F | 90.6 | Very high | 89.1 | Confident | 44 Ų | 44 | 81.1 Ų | 81.1 | 19% | 0.193 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 140.1 | 171.8 | -74.5 | -88.1 | 0 | 0 | 0 | 111.3 | E49 Y50 K57 K76 T86 | E49-F59 HydrophobicContact CB-CB 3.94Å; E49-F59 HydrophobicContact CB-CD1 4.13Å; E49-F59 HydrophobicContact CB-CG 4.49Å; E49-F59 WeakPolarHBondContact OE2-CB 3.49Å; Y50-F59 CarbonylContact O-C 3.55Å; Y50-F59 WeakPolarHBondContact O-CA 3.39Å; K57-F59 PolarHBondContact O-N 2.84Å; F59-K76 HydrophobicContact CD1-CB 3.68Å; F59-K76 VanDerWaalsContact CD2-CE 3.5Å; F59-K76 HydrophobicContact CE1-CB 3.69Å; F59-K76 HydrophobicContact CG-CB 4.38Å; F59-K76 VanDerWaalsContact CG-CE 3.42Å; F59-K76 HydrophobicContact CZ-CB 4.38Å; F59-T86 HydrophobicContact CZ-CG2 4.13Å |
| 60 | K | 92.1 | Very high | 88.8 | Confident | 78 Ų | 78 | 82.2 Ų | 82.2 | 34% | 0.339 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.5 | 178.5 | -61.9 | 170.8 | -172.1 | 164.1 | 0 | 109.1 | E49 Y50 | E49-K60 CarbonylContact C-O 3.5Å; E49-K60 WeakPolarHBondContact CA-O 3.36Å; E49-K60 WeakPolarHBondContact CB-O 3.45Å; Y50-K60 HydrophobicContact CD1-CB 4.39Å; Y50-K60 WeakPolarHBondContact CD1-O 3.4Å; Y50-K60 HydrophobicContact CE1-CB 4.04Å; Y50-K60 PolarHBondContact N-O 2.87Å; Y50-K60 PolarHBondContact O-N 3.02Å |
| 61 | P | 93.7 | Very high | 88.4 | Confident | 76 Ų | 76 | 85.5 Ų | 85.5 | 49% | 0.494 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 140.2 | 173.5 | -27.8 | 36 | 0 | 0 | 0 | 113 | H63 | P61-H63 WeakPolarHBondContact CB-NE2 3.45Å |
| 62 | L | 93.2 | Very high | 88.2 | Confident | 5 Ų | 5 | 86.3 Ų | 86.3 | 3% | 0.026 | 44% | 0.438 | C | S | . | . | trans | -114.7 | 114.1 | 176.7 | -173.6 | 72.7 | 0 | 0 | 0 | 110.3 | L48 Y50 L66 L75 V99 L103 | L48-L62 HydrophobicContact CB-CB 4.01Å; L48-L62 HydrophobicContact CB-CD2 4.16Å; L48-L62 HydrophobicContact CD1-CD2 4.26Å; L48-L62 WeakPolarHBondContact O-CB 3.34Å; L48-L62 PolarHBondContact O-N 3.22Å; Y50-L62 HydrophobicContact CD1-CB 4.13Å; Y50-L62 HydrophobicContact CD1-CD1 3.84Å; Y50-L62 HydrophobicContact CE1-CD1 4.02Å; L62-L66 HydrophobicContact CD1-CD2 3.87Å; L62-L75 HydrophobicContact CD2-CD1 4.37Å; L62-V99 HydrophobicContact CD2-CG1 3.29Å; L62-L103 HydrophobicContact CD2-CD1 3.98Å; L62-L103 HydrophobicContact CD2-CD2 4.24Å; L62-L103 HydrophobicContact CD2-CG 4.17Å; L62-L103 HydrophobicContact CG-CD1 4.17Å; L62-L103 HydrophobicContact CG-CD2 4.21Å | ||
| 63 | H | 90 | Very high | 88.2 | Confident | 145 Ų | 145 | 88.3 Ų | 88.3 | 67% | 0.671 | 44% | 0.444 | S | S | * | . | trans | -127.1 | -17.1 | -179.3 | -53.8 | -41.9 | 0 | 0 | 0 | 113.6 | H47 P61 | H47-H63 AromaticContact CD2-CE1 3.94Å; H47-H63 AromaticContact NE2-CE1 3.33Å; H47-H63 PolarHBondContact NE2-CE1 3.32Å; H47-H63 VanDerWaalsContact NE2-CE1 3.33Å; P61-H63 WeakPolarHBondContact CB-NE2 3.45Å | ||
| 64 | S | 91.6 | Very high | 88.6 | Confident | 81 Ų | 81 | 81.6 Ų | 81.6 | 57% | 0.566 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -111.7 | 147.3 | -178.9 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | L103 | S64-L103 VanDerWaalsContact O-CD1 3.26Å; S64-L103 WeakPolarHBondContact O-CD1 3.39Å |
| 65 | F | 92.4 | Very high | 89.1 | Confident | 124 Ų | 124 | 75.7 Ų | 75.7 | 54% | 0.544 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 141.3 | 168.2 | -72 | -90.9 | 0 | 0 | 0 | 110.8 | N100 L103 Q104 | F65-N100 HydrophobicContact CD1-CB 3.81Å; F65-N100 HydrophobicContact CE1-CB 4.29Å; F65-N100 WeakPolarHBondContact CE1-O 3.42Å; F65-L103 HydrophobicContact CE1-CB 4.22Å; F65-L103 HydrophobicContact CZ-CB 4.38Å; F65-Q104 HydrophobicContact CE1-CB 4.19Å; F65-Q104 HydrophobicContact CZ-CB 4.16Å |
| 66 | L | 91.4 | Very high | 89.5 | Confident | 16 Ų | 16 | 73.1 Ų | 73.1 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -78 | 133.6 | 178.1 | -59.9 | 173.9 | 0 | 0 | 0 | 110.9 | L62 D70 I72 K96 V99 N100 | L62-L66 HydrophobicContact CD1-CD2 3.87Å; L66-D70 HydrophobicContact CB-CB 4.4Å; L66-D70 HydrophobicContact CD2-CB 3.95Å; L66-I72 HydrophobicContact CD1-CD1 3.49Å; L66-I72 VanDerWaalsContact CD1-CD1 3.49Å; L66-I72 HydrophobicContact CD1-CG1 3.98Å; L66-I72 HydrophobicContact CD2-CD1 4.3Å; L66-I72 HydrophobicContact CD2-CG1 4.48Å; L66-I72 HydrophobicContact CG-CD1 4.5Å; L66-K96 HydrophobicContact CD1-CG 4.5Å; L66-V99 HydrophobicContact CD1-CB 3.84Å; L66-V99 HydrophobicContact CD1-CG1 3.59Å; L66-V99 HydrophobicContact CG-CG1 4.18Å; L66-N100 PolarHBondContact N-OD1 2.7Å; L66-N100 PolarHBondContact O-ND2 3.37Å; L66-N100 VanDerWaalsContact O-ND2 3.09Å |
| 67 | S | 90.3 | Very high | 90.2 | Very high | 46 Ų | 46 | 70.5 Ų | 70.5 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 172.8 | 171.9 | 70.1 | 0 | 0 | 0 | 0 | 112.3 | T69 D70 K96 | S67-T69 PolarHBondContact O-N 2.87Å; S67-T69 PolarHBondContact OG-N 3.31Å; S67-T69 PolarHBondContact OG-OG1 2.98Å; S67-D70 VanDerWaalsContact CB-OD2 3.3Å; S67-D70 WeakPolarHBondContact CB-OD2 3.24Å; S67-D70 PolarHBondContact N-OD2 2.8Å; S67-D70 PolarHBondContact O-N 2.87Å; S67-D70 PolarHBondContact OG-N 3.23Å; S67-D70 PolarHBondContact OG-OD2 2.74Å; S67-K96 PolarHBondContact O-NZ 2.89Å |
| 68 | F | 82.6 | Confident | 90.8 | Very high | 190 Ų | 190 | 62.2 Ų | 62.2 | 83% | 0.833 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -63.3 | -22.7 | 171.1 | 71.6 | -85.9 | 0 | 0 | 0 | 112.9 | K96 | F68-K96 PolarHBondContact O-NZ 3.08Š|
| 69 | T | 85 | Confident | 91.1 | Very high | 98 Ų | 98 | 56.2 Ų | 56.2 | 60% | 0.601 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -85.5 | -23.7 | 177.7 | 41.6 | 0 | 0 | 0 | 0 | 115.4 | S67 E71 | S67-T69 PolarHBondContact O-N 2.87Å; S67-T69 PolarHBondContact OG-N 3.31Å; S67-T69 PolarHBondContact OG-OG1 2.98Å; T69-E71 PolarHBondContact O-N 2.69Å |
| 70 | D | 87.6 | Confident | 91.1 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 31% | 0.305 | 30% | 0.295 | S | S | . | . | trans | -71.4 | 127.5 | -172.4 | -64 | -54.4 | 0 | 0 | 0 | 113.3 | L66 S67 K96 | L66-D70 HydrophobicContact CB-CB 4.4Å; L66-D70 HydrophobicContact CD2-CB 3.95Å; S67-D70 VanDerWaalsContact CB-OD2 3.3Å; S67-D70 WeakPolarHBondContact CB-OD2 3.24Å; S67-D70 PolarHBondContact N-OD2 2.8Å; S67-D70 PolarHBondContact O-N 2.87Å; S67-D70 PolarHBondContact OG-N 3.23Å; S67-D70 PolarHBondContact OG-OD2 2.74Å; D70-K96 WeakPolarHBondContact O-CE 3.48Å; D70-K96 PolarHBondContact O-NZ 3.17Å | ||
| 71 | E | 85.8 | Confident | 91 | Very high | 112 Ų | 112 | 57.5 Ų | 57.5 | 52% | 0.523 | 29% | 0.294 | S | S | . | . | trans | -86.5 | 128.8 | 172 | -68.4 | -163.3 | 157.1 | 0 | 0 | 111.8 | T69 | T69-E71 PolarHBondContact O-N 2.69Š| ||
| 72 | I | 90.1 | Very high | 90.9 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 9% | 0.087 | 29% | 0.285 | C | S | . | . | trans | -113.3 | 133.6 | 161.6 | -82.3 | -162.1 | 0 | 0 | 0 | 109.4 | Y50 L66 L89 V99 | Y50-I72 HydrophobicContact CD2-CD1 4.27Å; Y50-I72 HydrophobicContact CD2-CG1 3.77Å; Y50-I72 HydrophobicContact CG-CD1 4.03Å; Y50-I72 HydrophobicContact CG-CG1 4.05Å; L66-I72 HydrophobicContact CD1-CD1 3.49Å; L66-I72 VanDerWaalsContact CD1-CD1 3.49Å; L66-I72 HydrophobicContact CD1-CG1 3.98Å; L66-I72 HydrophobicContact CD2-CD1 4.3Å; L66-I72 HydrophobicContact CD2-CG1 4.48Å; L66-I72 HydrophobicContact CG-CD1 4.5Å; I72-L89 HydrophobicContact CG2-CB 4.25Å; I72-L89 HydrophobicContact CG2-CD1 3.94Å; I72-V99 HydrophobicContact CD1-CG1 4.17Å; I72-V99 HydrophobicContact CD1-CG2 4.07Å | ||
| 73 | Y | 91.5 | Very high | 90.7 | Very high | 60 Ų | 60 | 60.3 Ų | 60.3 | 24% | 0.235 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -105.1 | -52.9 | 171.4 | -174.4 | -91.6 | 0 | 0 | 0 | 110.5 | S51 K53 L89 H90 | S51-Y73 WeakPolarHBondContact O-CB 3.23Å; S51-Y73 PolarHBondContact O-N 3.16Å; K53-Y73 HydrophobicContact CB-CD2 4.03Å; K53-Y73 HydrophobicContact CG-CD2 4.09Å; K53-Y73 HydrophobicContact CG-CE2 4.5Å; Y73-L89 PolarHBondContact O-N 3.36Å; Y73-H90 HydrophobicContact CD2-CB 3.61Å; Y73-H90 HydrophobicContact CE2-CB 3.48Å; Y73-H90 VanDerWaalsContact CE2-CB 3.48Å; Y73-H90 AromaticContact CE2-CG 3.77Å; Y73-H90 HydrophobicContact CG-CB 4.36Å; Y73-H90 AromaticContact CZ-ND1 3.8Å; Y73-H90 PolarHBondContact O-N 2.87Å |
| 74 | S | 93.5 | Very high | 90.7 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.7 | 172.8 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | Y50 S51 L87 D88 | Y50-S74 CarbonylContact C-O 3.29Å; Y50-S74 VanDerWaalsContact CA-O 3.3Å; Y50-S74 WeakPolarHBondContact CA-O 3.33Å; S51-S74 PolarHBondContact N-O 2.99Å; S51-S74 PolarHBondContact O-N 2.75Å; S74-L87 CarbonylContact C-O 3.41Å; S74-L87 VanDerWaalsContact CA-O 3.31Å; S74-L87 WeakPolarHBondContact CA-O 3.5Å; S74-L87 WeakPolarHBondContact CB-O 3.45Å; S74-D88 PolarHBondContact OG-OD1 2.99Å |
| 75 | L | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 130 | 176.8 | -179.9 | 80.3 | 0 | 0 | 0 | 109.3 | E49 L62 I77 T86 L87 L89 V99 L102 | E49-L75 CarbonylContact O-C 3.59Å; E49-L75 WeakPolarHBondContact O-CA 3.3Å; L62-L75 HydrophobicContact CD2-CD1 4.37Å; L75-I77 HydrophobicContact CD2-CD1 3.85Å; L75-I77 HydrophobicContact CD2-CG1 3.82Å; L75-I77 HydrophobicContact CG-CG1 4.07Å; L75-T86 WeakPolarHBondContact O-CA 3.47Å; L75-L87 HydrophobicContact CD2-CD1 4.45Å; L75-L87 PolarHBondContact N-O 2.89Å; L75-L87 PolarHBondContact O-N 2.89Å; L75-L89 HydrophobicContact CB-CD1 3.7Å; L75-L89 HydrophobicContact CD2-CD1 4.45Å; L75-V99 HydrophobicContact CD1-CG1 4.36Å; L75-V99 HydrophobicContact CD1-CG2 3.88Å; L75-V99 HydrophobicContact CD2-CG2 3.81Å; L75-V99 HydrophobicContact CG-CG2 4.33Å; L75-L102 HydrophobicContact CD2-CD1 3.66Å |
| 76 | K | 93.8 | Very high | 90.7 | Very high | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.6 | 171 | -167.8 | -163.4 | -52.9 | 161.9 | 0 | 109.1 | E49 F59 L78 V84 F85 E272 | E49-K76 HydrophobicContact CB-CB 4.3Å; E49-K76 PolarHBondContact N-O 3.42Å; E49-K76 PolarHBondContact O-N 2.95Å; E49-K76 WeakPolarHBondContact OE2-CE 3.26Å; E49-K76 IonicContact OE2-NZ 3.12Å; E49-K76 PolarHBondContact OE2-NZ 3.21Å; F59-K76 HydrophobicContact CD1-CB 3.68Å; F59-K76 VanDerWaalsContact CD2-CE 3.5Å; F59-K76 HydrophobicContact CE1-CB 3.69Å; F59-K76 HydrophobicContact CG-CB 4.38Å; F59-K76 VanDerWaalsContact CG-CE 3.42Å; F59-K76 HydrophobicContact CZ-CB 4.38Å; K76-L78 HydrophobicContact CD-CD1 3.99Å; K76-L78 HydrophobicContact CD-CG 4.32Å; K76-L78 HydrophobicContact CG-CD1 4.19Å; K76-V84 HydrophobicContact CD-CG1 3.98Å; K76-V84 HydrophobicContact CG-CG1 3.58Å; K76-F85 CarbonylContact C-O 3.6Å; K76-F85 WeakPolarHBondContact CA-O 3.33Å; K76-E272 WeakPolarHBondContact CE-OE1 3.5Å; K76-E272 IonicContact NZ-OE1 2.77Å; K76-E272 PolarHBondContact NZ-OE1 3Å |
| 77 | I | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 107.4 | -177.3 | -51.2 | -178.9 | 0 | 0 | 0 | 107.7 | L12 I45 L48 L75 V84 F85 L87 L102 | L12-I77 HydrophobicContact CD2-CD1 3.3Å; I45-I77 HydrophobicContact CB-CG2 4.29Å; I45-I77 HydrophobicContact CD1-CG2 3.58Å; I45-I77 HydrophobicContact CG1-CG2 3.59Å; I45-I77 HydrophobicContact CG2-CG2 3.8Å; L48-I77 HydrophobicContact CD2-CB 4.14Å; L48-I77 HydrophobicContact CD2-CG1 3.82Å; L48-I77 HydrophobicContact CD2-CG2 3.89Å; L75-I77 HydrophobicContact CD2-CD1 3.85Å; L75-I77 HydrophobicContact CD2-CG1 3.82Å; L75-I77 HydrophobicContact CG-CG1 4.07Å; I77-V84 WeakPolarHBondContact O-CA 3.21Å; I77-F85 HydrophobicContact CB-CB 4.23Å; I77-F85 PolarHBondContact N-O 2.84Å; I77-F85 PolarHBondContact O-N 2.96Å; I77-L87 HydrophobicContact CD1-CD1 4.05Å; I77-L102 HydrophobicContact CD1-CD1 3.99Å |
| 78 | L | 93.9 | Very high | 90.9 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 127.7 | 178.7 | -55.8 | 87.5 | 0 | 0 | 0 | 108.5 | H46 H47 E49 K76 V84 | H46-L78 WeakPolarHBondContact CA-O 3.27Å; H46-L78 WeakPolarHBondContact CB-O 3.41Å; H46-L78 PolarHBondContact N-O 3.19Å; H47-L78 HydrophobicContact CB-CB 4.38Å; H47-L78 HydrophobicContact CB-CD1 4.28Å; H47-L78 PolarHBondContact N-O 2.94Å; H47-L78 VanDerWaalsContact N-O 3.11Å; H47-L78 PolarHBondContact O-N 3.45Å; E49-L78 HydrophobicContact CG-CD1 3.92Å; K76-L78 HydrophobicContact CD-CD1 3.99Å; K76-L78 HydrophobicContact CD-CG 4.32Å; K76-L78 HydrophobicContact CG-CD1 4.19Å; L78-V84 HydrophobicContact CG-CG2 4.49Å |
| 79 | C | 93.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 161.8 | -174.8 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | N44 D81 F82 R83 | N44-C79 CarbonylContact O-C 3.58Å; N44-C79 WeakPolarHBondContact O-CA 3.47Å; C79-D81 VanDerWaalsContact C-N 3.26Å; C79-D81 WeakPolarHBondContact CB-OD1 3.46Å; C79-D81 PolarHBondContact O-N 3.25Å; C79-F82 PolarHBondContact O-N 3.15Å; C79-R83 HydrophobicContact CB-CB 4.39Å; C79-R83 VanDerWaalsContact CB-O 3.3Å; C79-R83 WeakPolarHBondContact CB-O 3.44Å; C79-R83 PolarHBondContact N-O 3.2Å |
| 80 | K | 91.2 | Very high | 91.2 | Very high | 89 Ų | 89 | 45.2 Ų | 45.2 | 39% | 0.387 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -15.8 | 179.1 | -62.5 | 168.2 | 176.9 | 124.3 | 0 | 112.2 | L43 N44 I45 H46 F82 | L43-K80 PolarHBondContact O-NZ 2.91Å; N44-K80 WeakPolarHBondContact O-CB 3.44Å; N44-K80 WeakPolarHBondContact O-CG 3.49Å; N44-K80 PolarHBondContact O-N 3.07Å; I45-K80 WeakPolarHBondContact O-CE 3.24Å; I45-K80 PolarHBondContact O-NZ 2.52Å; H46-K80 HydrophobicContact CB-CG 3.78Å; K80-F82 VanDerWaalsContact C-N 3.34Å |
| 81 | D | 90.1 | Very high | 90.9 | Very high | 60 Ų | 60 | 49.9 Ų | 49.9 | 32% | 0.321 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 29.1 | 172.1 | 66 | -10.4 | 0 | 0 | 0 | 112.9 | N44 C79 R83 | N44-D81 PolarHBondContact ND2-OD1 2.98Å; N44-D81 PolarHBondContact ND2-OD2 3.2Å; N44-D81 PolarHBondContact OD1-N 2.88Å; C79-D81 VanDerWaalsContact C-N 3.26Å; C79-D81 WeakPolarHBondContact CB-OD1 3.46Å; C79-D81 PolarHBondContact O-N 3.25Å; D81-R83 PolarHBondContact O-N 3.37Å; D81-R83 IonicContact OD1-NE 3.29Å; D81-R83 IonicContact OD2-CZ 3.45Å; D81-R83 IonicContact OD2-NE 2.72Å; D81-R83 PolarHBondContact OD2-NE 3.03Å; D81-R83 IonicContact OD2-NH2 3.26Å; D81-R83 PolarHBondContact OD2-NH2 2.86Å |
| 82 | F | 90 | Very high | 91 | Very high | 70 Ų | 70 | 47 Ų | 47 | 31% | 0.307 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 63.5 | -2.4 | 178.9 | -53.1 | -88.3 | 0 | 0 | 0 | 116 | C79 K80 F262 L265 R266 C269 | C79-F82 PolarHBondContact O-N 3.15Å; K80-F82 VanDerWaalsContact C-N 3.34Å; F82-F262 HydrophobicContact CE1-CE2 4.37Å; F82-F262 HydrophobicContact CE2-CE2 4.18Å; F82-F262 HydrophobicContact CZ-CD2 4.22Å; F82-F262 AromaticContact CZ-CE2 3.64Å; F82-F262 HydrophobicContact CZ-CE2 3.64Å; F82-F262 HydrophobicContact CZ-CZ 4.24Å; F82-L265 HydrophobicContact CE1-CB 4.39Å; F82-L265 HydrophobicContact CE1-CD2 4.09Å; F82-L265 HydrophobicContact CE1-CG 3.89Å; F82-L265 HydrophobicContact CZ-CD2 4.14Å; F82-L265 HydrophobicContact CZ-CG 4.44Å; F82-R266 HydrophobicContact CD1-CB 4.34Å; F82-R266 HydrophobicContact CD1-CG 4.39Å; F82-R266 HydrophobicContact CE1-CB 4.2Å; F82-C269 HydrophobicContact CB-CB 4.12Å; F82-C269 HydrophobicContact CD1-CB 3.9Å; F82-C269 HydrophobicContact CG-CB 4.43Å |
| 83 | R | 89.2 | Confident | 90.8 | Very high | 71 Ų | 71 | 51 Ų | 51 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | trans | -75.3 | 140.5 | 177.5 | -66 | -171.2 | -70 | 162.7 | -1.9 | 111.9 | P36 E39 C79 D81 F85 | P36-R83 PolarHBondContact O-NH1 2.78Å; E39-R83 PolarHBondContact O-NH1 3.38Å; E39-R83 PolarHBondContact O-NH2 3.13Å; E39-R83 VanDerWaalsContact O-NH2 3.13Å; C79-R83 HydrophobicContact CB-CB 4.39Å; C79-R83 VanDerWaalsContact CB-O 3.3Å; C79-R83 WeakPolarHBondContact CB-O 3.44Å; C79-R83 PolarHBondContact N-O 3.2Å; D81-R83 PolarHBondContact O-N 3.37Å; D81-R83 IonicContact OD1-NE 3.29Å; D81-R83 IonicContact OD2-CZ 3.45Å; D81-R83 IonicContact OD2-NE 2.72Å; D81-R83 PolarHBondContact OD2-NE 3.03Å; D81-R83 IonicContact OD2-NH2 3.26Å; D81-R83 PolarHBondContact OD2-NH2 2.86Å; R83-F85 HydrophobicContact CB-CE2 4.03Å; R83-F85 HydrophobicContact CB-CZ 4.42Å | ||
| 84 | V | 91.3 | Very high | 90.6 | Very high | 51 Ų | 51 | 53.3 Ų | 53.3 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127 | 170.3 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | K76 I77 L78 | K76-V84 HydrophobicContact CD-CG1 3.98Å; K76-V84 HydrophobicContact CG-CG1 3.58Å; I77-V84 WeakPolarHBondContact O-CA 3.21Å; L78-V84 HydrophobicContact CG-CG2 4.49Å |
| 85 | F | 92.2 | Very high | 90.5 | Very high | 34 Ų | 34 | 53.4 Ų | 53.4 | 15% | 0.149 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 121.6 | 171.8 | -56.8 | -94.1 | 0 | 0 | 0 | 109.5 | K37 T40 K76 I77 R83 | K37-F85 WeakPolarHBondContact O-CE1 3.45Å; T40-F85 HydrophobicContact CG2-CD2 4.36Å; T40-F85 HydrophobicContact CG2-CE2 3.83Å; T40-F85 HydrophobicContact CG2-CZ 4.27Å; K76-F85 CarbonylContact C-O 3.6Å; K76-F85 WeakPolarHBondContact CA-O 3.33Å; I77-F85 HydrophobicContact CB-CB 4.23Å; I77-F85 PolarHBondContact N-O 2.84Å; I77-F85 PolarHBondContact O-N 2.96Å; R83-F85 HydrophobicContact CB-CE2 4.03Å; R83-F85 HydrophobicContact CB-CZ 4.42Å |
| 86 | T | 92 | Very high | 90.3 | Very high | 89 Ų | 89 | 55.9 Ų | 55.9 | 55% | 0.546 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 113.6 | 170.6 | -52 | 0 | 0 | 0 | 0 | 108.8 | F59 L75 | F59-T86 HydrophobicContact CZ-CG2 4.13Å; L75-T86 WeakPolarHBondContact O-CA 3.47Å |
| 87 | L | 93 | Very high | 90.2 | Very high | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120.1 | 174.9 | -58.9 | 179.6 | 0 | 0 | 0 | 108.7 | V5 S74 L75 I77 L89 | V5-L87 HydrophobicContact CG1-CD1 4.25Å; V5-L87 HydrophobicContact CG2-CD1 4.14Å; V5-L87 HydrophobicContact CG2-CD2 4.15Å; S74-L87 CarbonylContact C-O 3.41Å; S74-L87 VanDerWaalsContact CA-O 3.31Å; S74-L87 WeakPolarHBondContact CA-O 3.5Å; S74-L87 WeakPolarHBondContact CB-O 3.45Å; L75-L87 HydrophobicContact CD2-CD1 4.45Å; L75-L87 PolarHBondContact N-O 2.89Å; L75-L87 PolarHBondContact O-N 2.89Å; I77-L87 HydrophobicContact CD1-CD1 4.05Å; L87-L89 HydrophobicContact CB-CD2 4.09Å; L87-L89 HydrophobicContact CB-CG 4.22Å |
| 88 | D | 92.2 | Very high | 90.2 | Very high | 87 Ų | 87 | 60 Ų | 60 | 47% | 0.465 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127.2 | 165.5 | -169 | -0.2 | 0 | 0 | 0 | 108.6 | S74 H90 | S74-D88 PolarHBondContact OG-OD1 2.99Å; D88-H90 IonicContact OD1-CE1 3.54Å; D88-H90 IonicContact OD1-CG 3.69Å; D88-H90 PolarHBondContact OD1-N 3.18Å; D88-H90 IonicContact OD1-ND1 3.8Å; D88-H90 PolarHBondContact OD1-ND1 3.39Å; D88-H90 IonicContact OD2-CE1 2.67Å; D88-H90 PolarHBondContact OD2-CE1 2.72Å; D88-H90 IonicContact OD2-ND1 2.84Å; D88-H90 PolarHBondContact OD2-ND1 3.26Å |
| 89 | L | 90.7 | Very high | 90.2 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | trans | -122.7 | 1.7 | -167.2 | -64.9 | 178.8 | 0 | 0 | 0 | 113.1 | I72 Y73 L75 L87 L91 S92 C95 L98 V99 | I72-L89 HydrophobicContact CG2-CB 4.25Å; I72-L89 HydrophobicContact CG2-CD1 3.94Å; Y73-L89 PolarHBondContact O-N 3.36Å; L75-L89 HydrophobicContact CB-CD1 3.7Å; L75-L89 HydrophobicContact CD2-CD1 4.45Å; L87-L89 HydrophobicContact CB-CD2 4.09Å; L87-L89 HydrophobicContact CB-CG 4.22Å; L89-L91 PolarHBondContact O-N 3.29Å; L89-S92 PolarHBondContact O-N 2.61Å; L89-C95 HydrophobicContact CB-CB 3.91Å; L89-C95 HydrophobicContact CD1-CB 4.19Å; L89-L98 HydrophobicContact CD2-CD2 4.13Å; L89-V99 HydrophobicContact CD1-CG2 4.3Å | ||
| 90 | H | 83.5 | Confident | 90.3 | Very high | 91 Ų | 91 | 61.3 Ų | 61.3 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -10.5 | -174.7 | 75.6 | -93.6 | 0 | 0 | 0 | 115.6 | Y73 D88 | Y73-H90 HydrophobicContact CD2-CB 3.61Å; Y73-H90 HydrophobicContact CE2-CB 3.48Å; Y73-H90 VanDerWaalsContact CE2-CB 3.48Å; Y73-H90 AromaticContact CE2-CG 3.77Å; Y73-H90 HydrophobicContact CG-CB 4.36Å; Y73-H90 AromaticContact CZ-ND1 3.8Å; Y73-H90 PolarHBondContact O-N 2.87Å; D88-H90 IonicContact OD1-CE1 3.54Å; D88-H90 IonicContact OD1-CG 3.69Å; D88-H90 PolarHBondContact OD1-N 3.18Å; D88-H90 IonicContact OD1-ND1 3.8Å; D88-H90 PolarHBondContact OD1-ND1 3.39Å; D88-H90 IonicContact OD2-CE1 2.67Å; D88-H90 PolarHBondContact OD2-CE1 2.72Å; D88-H90 IonicContact OD2-ND1 2.84Å; D88-H90 PolarHBondContact OD2-ND1 3.26Å |
| 91 | L | 81.6 | Confident | 90.4 | Very high | 155 Ų | 155 | 58.9 Ų | 58.9 | 81% | 0.812 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 1.4 | 175.2 | -58.3 | 178.8 | 0 | 0 | 0 | 113.8 | L89 | L89-L91 PolarHBondContact O-N 3.29Š|
| 92 | S | 86.4 | Confident | 90.6 | Very high | 50 Ų | 50 | 56 Ų | 56 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | trans | -108.9 | 121 | -174.1 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | L89 E94 C95 | L89-S92 PolarHBondContact O-N 2.61Å; S92-E94 VanDerWaalsContact C-N 3.29Å; S92-E94 PolarHBondContact OG-N 3.26Å; S92-C95 WeakPolarHBondContact O-CB 3.37Å; S92-C95 PolarHBondContact O-N 3.03Å; S92-C95 PolarHBondContact O-SG 2.98Å; S92-C95 VanDerWaalsContact O-SG 3.33Å | ||
| 93 | S | 85.7 | Confident | 90.8 | Very high | 103 Ų | 103 | 53.3 Ų | 53.3 | 72% | 0.72 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -35.7 | 169.9 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | C95 | S93-C95 PolarHBondContact O-N 2.7Š|
| 94 | E | 87.9 | Confident | 90.9 | Very high | 107 Ų | 107 | 54.2 Ų | 54.2 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 12.5 | -177 | -61.5 | -50 | 129.1 | 0 | 0 | 113.8 | S92 K96 T97 L98 | S92-E94 VanDerWaalsContact C-N 3.29Å; S92-E94 PolarHBondContact OG-N 3.26Å; E94-K96 VanDerWaalsContact C-N 3.26Å; E94-K96 PolarHBondContact O-N 3.26Å; E94-T97 PolarHBondContact O-N 2.72Å; E94-T97 VanDerWaalsContact OE2-CB 3.31Å; E94-T97 WeakPolarHBondContact OE2-CB 3.4Å; E94-T97 PolarHBondContact OE2-OG1 2.85Å; E94-L98 WeakPolarHBondContact O-CB 3.34Å; E94-L98 PolarHBondContact O-N 3.41Å |
| 95 | C | 90.8 | Very high | 90.9 | Very high | 14 Ų | 14 | 54.7 Ų | 54.7 | 10% | 0.095 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.7 | -40 | -179 | 62.7 | 0 | 0 | 0 | 0 | 112.3 | L89 S92 S93 V99 | L89-C95 HydrophobicContact CB-CB 3.91Å; L89-C95 HydrophobicContact CD1-CB 4.19Å; S92-C95 WeakPolarHBondContact O-CB 3.37Å; S92-C95 PolarHBondContact O-N 3.03Å; S92-C95 PolarHBondContact O-SG 2.98Å; S92-C95 VanDerWaalsContact O-SG 3.33Å; S93-C95 PolarHBondContact O-N 2.7Å; C95-V99 WeakPolarHBondContact O-CB 3.3Å; C95-V99 VanDerWaalsContact O-CG2 3.23Å; C95-V99 WeakPolarHBondContact O-CG2 3.45Å; C95-V99 PolarHBondContact O-N 2.87Å; C95-V99 VanDerWaalsContact O-N 3.1Å |
| 96 | K | 91.1 | Very high | 91 | Very high | 51 Ų | 51 | 53.3 Ų | 53.3 | 22% | 0.222 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.3 | -45.1 | 177.3 | -57 | -170.1 | 178.7 | -151.8 | 0 | 112.1 | L66 S67 F68 D70 E94 V99 N100 | L66-K96 HydrophobicContact CD1-CG 4.5Å; S67-K96 PolarHBondContact O-NZ 2.89Å; F68-K96 PolarHBondContact O-NZ 3.08Å; D70-K96 WeakPolarHBondContact O-CE 3.48Å; D70-K96 PolarHBondContact O-NZ 3.17Å; E94-K96 VanDerWaalsContact C-N 3.26Å; E94-K96 PolarHBondContact O-N 3.26Å; K96-V99 PolarHBondContact O-N 2.84Å; K96-N100 WeakPolarHBondContact O-CB 3.32Å; K96-N100 PolarHBondContact O-N 2.97Å |
| 97 | T | 93 | Very high | 91.1 | Very high | 74 Ų | 74 | 53.1 Ų | 53.1 | 45% | 0.454 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.1 | -50.9 | 177 | -43.2 | 0 | 0 | 0 | 0 | 110.6 | E94 V99 N100 C101 | E94-T97 PolarHBondContact O-N 2.72Å; E94-T97 VanDerWaalsContact OE2-CB 3.31Å; E94-T97 WeakPolarHBondContact OE2-CB 3.4Å; E94-T97 PolarHBondContact OE2-OG1 2.85Å; T97-V99 PolarHBondContact O-N 3.18Å; T97-N100 PolarHBondContact O-N 3.47Å; T97-C101 PolarHBondContact O-N 3.14Å; T97-C101 PolarHBondContact O-SG 2.85Å; T97-C101 VanDerWaalsContact O-SG 3.34Å |
| 98 | L | 94.2 | Very high | 90.9 | Very high | 23 Ų | 23 | 52.5 Ų | 52.5 | 12% | 0.12 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54.9 | -51.1 | 175.6 | 170.3 | 61.5 | 0 | 0 | 0 | 111.8 | V5 C7 L12 L89 E94 C101 L102 | V5-L98 HydrophobicContact CB-CD2 4.34Å; V5-L98 HydrophobicContact CG1-CD1 3.99Å; V5-L98 HydrophobicContact CG1-CD2 3.86Å; C7-L98 HydrophobicContact CB-CD1 3.63Å; L12-L98 HydrophobicContact CD1-CD1 4.13Å; L89-L98 HydrophobicContact CD2-CD2 4.13Å; E94-L98 WeakPolarHBondContact O-CB 3.34Å; E94-L98 PolarHBondContact O-N 3.41Å; L98-C101 PolarHBondContact O-N 3.13Å; L98-L102 HydrophobicContact CD1-CD1 4.18Å; L98-L102 HydrophobicContact CD1-CG 4.28Å; L98-L102 HydrophobicContact CG-CD1 4.26Å; L98-L102 WeakPolarHBondContact O-CG 3.47Å; L98-L102 PolarHBondContact O-N 2.85Å |
| 99 | V | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.1 | -38 | -175.3 | 171.2 | 0 | 0 | 0 | 0 | 112.3 | L62 L66 I72 L75 L89 C95 K96 T97 L102 L103 | L62-V99 HydrophobicContact CD2-CG1 3.29Å; L66-V99 HydrophobicContact CD1-CB 3.84Å; L66-V99 HydrophobicContact CD1-CG1 3.59Å; L66-V99 HydrophobicContact CG-CG1 4.18Å; I72-V99 HydrophobicContact CD1-CG1 4.17Å; I72-V99 HydrophobicContact CD1-CG2 4.07Å; L75-V99 HydrophobicContact CD1-CG1 4.36Å; L75-V99 HydrophobicContact CD1-CG2 3.88Å; L75-V99 HydrophobicContact CD2-CG2 3.81Å; L75-V99 HydrophobicContact CG-CG2 4.33Å; L89-V99 HydrophobicContact CD1-CG2 4.3Å; C95-V99 WeakPolarHBondContact O-CB 3.3Å; C95-V99 VanDerWaalsContact O-CG2 3.23Å; C95-V99 WeakPolarHBondContact O-CG2 3.45Å; C95-V99 PolarHBondContact O-N 2.87Å; C95-V99 VanDerWaalsContact O-N 3.1Å; K96-V99 PolarHBondContact O-N 2.84Å; T97-V99 PolarHBondContact O-N 3.18Å; V99-L102 WeakPolarHBondContact O-CB 3.43Å; V99-L102 PolarHBondContact O-N 2.97Å; V99-L103 HydrophobicContact CG1-CD1 4.49Å; V99-L103 PolarHBondContact O-N 2.92Å |
| 100 | N | 94.3 | Very high | 90.7 | Very high | 37 Ų | 37 | 54 Ų | 54 | 20% | 0.198 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -39.5 | 174.3 | -74.9 | -11.2 | 0 | 0 | 0 | 111.6 | F65 L66 K96 T97 L103 Q104 | F65-N100 HydrophobicContact CD1-CB 3.81Å; F65-N100 HydrophobicContact CE1-CB 4.29Å; F65-N100 WeakPolarHBondContact CE1-O 3.42Å; L66-N100 PolarHBondContact N-OD1 2.7Å; L66-N100 PolarHBondContact O-ND2 3.37Å; L66-N100 VanDerWaalsContact O-ND2 3.09Å; K96-N100 WeakPolarHBondContact O-CB 3.32Å; K96-N100 PolarHBondContact O-N 2.97Å; T97-N100 PolarHBondContact O-N 3.47Å; N100-L103 PolarHBondContact O-N 2.95Å; N100-Q104 WeakPolarHBondContact O-CB 3.48Å; N100-Q104 PolarHBondContact O-N 2.95Å |
| 101 | C | 93.6 | Very high | 90.7 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 170.5 | -69 | 0 | 0 | 0 | 0 | 112.5 | T97 L98 Q104 Y105 | T97-C101 PolarHBondContact O-N 3.14Å; T97-C101 PolarHBondContact O-SG 2.85Å; T97-C101 VanDerWaalsContact O-SG 3.34Å; L98-C101 PolarHBondContact O-N 3.13Å; C101-Q104 PolarHBondContact O-N 3.16Å; C101-Y105 HydrophobicContact CB-CD2 4.21Å; C101-Y105 HydrophobicContact CB-CE2 4.29Å; C101-Y105 WeakPolarHBondContact O-CD2 3.47Å; C101-Y105 PolarHBondContact O-N 2.85Å |
| 102 | L | 95.7 | Very high | 91 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.8 | -44 | 175.6 | -73.5 | 173.8 | 0 | 0 | 0 | 111.5 | L12 L42 I45 L48 L75 I77 L98 V99 S106 | L12-L102 HydrophobicContact CB-CD2 4.39Å; L12-L102 HydrophobicContact CD1-CD2 4.24Å; L12-L102 HydrophobicContact CD2-CD2 4.2Å; L42-L102 HydrophobicContact CD2-CD2 3.48Å; L42-L102 VanDerWaalsContact CD2-CD2 3.48Å; I45-L102 HydrophobicContact CD1-CD2 3.98Å; L48-L102 HydrophobicContact CD1-CB 4.02Å; L75-L102 HydrophobicContact CD2-CD1 3.66Å; I77-L102 HydrophobicContact CD1-CD1 3.99Å; L98-L102 HydrophobicContact CD1-CD1 4.18Å; L98-L102 HydrophobicContact CD1-CG 4.28Å; L98-L102 HydrophobicContact CG-CD1 4.26Å; L98-L102 WeakPolarHBondContact O-CG 3.47Å; L98-L102 PolarHBondContact O-N 2.85Å; V99-L102 WeakPolarHBondContact O-CB 3.43Å; V99-L102 PolarHBondContact O-N 2.97Å; L102-S106 WeakPolarHBondContact O-CB 3.47Å; L102-S106 PolarHBondContact O-N 3.34Å; L102-S106 PolarHBondContact O-OG 3.43Å |
| 103 | L | 93.6 | Very high | 91 | Very high | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 174.3 | -75.4 | 165.4 | 0 | 0 | 0 | 111.8 | L48 L62 S64 F65 V99 N100 F107 | L48-L103 HydrophobicContact CD1-CD2 4Å; L48-L103 HydrophobicContact CD1-CG 4.12Å; L62-L103 HydrophobicContact CD2-CD1 3.98Å; L62-L103 HydrophobicContact CD2-CD2 4.24Å; L62-L103 HydrophobicContact CD2-CG 4.17Å; L62-L103 HydrophobicContact CG-CD1 4.17Å; L62-L103 HydrophobicContact CG-CD2 4.21Å; S64-L103 VanDerWaalsContact O-CD1 3.26Å; S64-L103 WeakPolarHBondContact O-CD1 3.39Å; F65-L103 HydrophobicContact CE1-CB 4.22Å; F65-L103 HydrophobicContact CZ-CB 4.38Å; V99-L103 HydrophobicContact CG1-CD1 4.49Å; V99-L103 PolarHBondContact O-N 2.92Å; N100-L103 PolarHBondContact O-N 2.95Å; L103-F107 HydrophobicContact CD2-CD2 4.32Å; L103-F107 HydrophobicContact CD2-CE2 4.31Å; L103-F107 PolarHBondContact O-N 3.07Å |
| 104 | Q | 91.5 | Very high | 91 | Very high | 91 Ų | 91 | 51.8 Ų | 51.8 | 43% | 0.425 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.6 | -48.1 | -177.8 | -176.1 | -179.2 | 2.2 | 0 | 0 | 113.4 | F65 N100 C101 | F65-Q104 HydrophobicContact CE1-CB 4.19Å; F65-Q104 HydrophobicContact CZ-CB 4.16Å; N100-Q104 WeakPolarHBondContact O-CB 3.48Å; N100-Q104 PolarHBondContact O-N 2.95Å; C101-Q104 PolarHBondContact O-N 3.16Å |
| 105 | Y | 92.1 | Very high | 90.9 | Very high | 61 Ų | 61 | 47.2 Ų | 47.2 | 24% | 0.239 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -97.7 | -14.7 | -169.3 | -61.7 | -64.2 | 0 | 0 | 0 | 114.4 | I9 L42 C101 | I9-Y105 HydrophobicContact CB-CD1 4.14Å; I9-Y105 HydrophobicContact CB-CE1 4.11Å; I9-Y105 HydrophobicContact CG2-CD1 4.34Å; I9-Y105 HydrophobicContact CG2-CE1 3.84Å; I9-Y105 HydrophobicContact CG2-CE2 4.27Å; L42-Y105 VanDerWaalsContact CD1-CB 3.44Å; L42-Y105 HydrophobicContact CD1-CG 4.44Å; C101-Y105 HydrophobicContact CB-CD2 4.21Å; C101-Y105 HydrophobicContact CB-CE2 4.29Å; C101-Y105 WeakPolarHBondContact O-CD2 3.47Å; C101-Y105 PolarHBondContact O-N 2.85Å |
| 106 | S | 94.1 | Very high | 90.4 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -83.5 | -29.3 | 172.5 | -48.1 | 0 | 0 | 0 | 0 | 112.5 | L42 L102 P108 | L42-S106 WeakPolarHBondContact O-CB 3.25Å; L102-S106 WeakPolarHBondContact O-CB 3.47Å; L102-S106 PolarHBondContact O-N 3.34Å; L102-S106 PolarHBondContact O-OG 3.43Å; S106-P108 WeakPolarHBondContact O-CD 3.3Å |
| 107 | F | 93.1 | Very high | 90.1 | Very high | 85 Ų | 85 | 54.8 Ų | 54.8 | 37% | 0.373 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -124.3 | 56 | -175.2 | -47.1 | -65.3 | 0 | 0 | 0 | 111.8 | I45 L48 L103 A109 | I45-F107 HydrophobicContact CG2-CZ 4.02Å; L48-F107 HydrophobicContact CD1-CE2 3.94Å; L48-F107 HydrophobicContact CG-CE2 4.09Å; L48-F107 HydrophobicContact CG-CZ 4.33Å; L103-F107 HydrophobicContact CD2-CD2 4.32Å; L103-F107 HydrophobicContact CD2-CE2 4.31Å; L103-F107 PolarHBondContact O-N 3.07Å; F107-A109 PolarHBondContact O-N 3.12Å |
| 108 | P | 90 | Very high | 89.5 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | trans | -61.2 | 124.9 | -176.2 | 26.1 | -35 | 0 | 0 | 0 | 111.5 | L43 S106 S110 N113 F114 I361 | L43-P108 HydrophobicContact CD2-CG 4.08Å; S106-P108 WeakPolarHBondContact O-CD 3.3Å; P108-S110 VanDerWaalsContact C-N 3.3Å; P108-S110 PolarHBondContact O-N 3.22Å; P108-N113 HydrophobicContact CB-CB 3.68Å; P108-F114 HydrophobicContact CG-CD1 3.56Å; P108-F114 HydrophobicContact CG-CE1 3.44Å; P108-F114 VanDerWaalsContact CG-CE1 3.44Å; P108-F114 HydrophobicContact CG-CG 4.38Å; P108-F114 HydrophobicContact CG-CZ 4.17Å; P108-I361 VanDerWaalsContact O-CD1 3.26Å; P108-I361 WeakPolarHBondContact O-CD1 3.44Å | ||
| 109 | A | 87.5 | Confident | 88.7 | Confident | 84 Ų | 84 | 57.7 Ų | 57.7 | 69% | 0.694 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -74.1 | -15.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F107 | F107-A109 PolarHBondContact O-N 3.12Š|
| 110 | S | 89.4 | Confident | 87.3 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -136.5 | 158.6 | 177.8 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | P108 E112 N113 | P108-S110 VanDerWaalsContact C-N 3.3Å; P108-S110 PolarHBondContact O-N 3.22Å; S110-E112 VanDerWaalsContact C-N 3.31Å; S110-E112 PolarHBondContact O-N 3.41Å; S110-N113 PolarHBondContact O-N 3.16Å; S110-N113 PolarHBondContact OG-ND2 3.42Å |
| 111 | A | 85.5 | Confident | 85.7 | Confident | 59 Ų | 59 | 68.6 Ų | 68.6 | 49% | 0.488 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -62.5 | -36.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N113 F114 F117 | A111-N113 PolarHBondContact O-N 3.33Å; A111-F114 HydrophobicContact CB-CD2 4.38Å; A111-F114 WeakPolarHBondContact O-CB 3.46Å; A111-F114 VanDerWaalsContact O-CD2 3.25Å; A111-F114 WeakPolarHBondContact O-CD2 3.47Å; A111-F114 PolarHBondContact O-N 3.09Å; A111-F117 WeakPolarHBondContact O-CD2 3.46Å; A111-F117 WeakPolarHBondContact O-CE2 3.23Å |
| 112 | E | 86.2 | Confident | 83.9 | Confident | 158 Ų | 158 | 72.2 Ų | 72.2 | 74% | 0.738 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -61.4 | -26.5 | 180 | -65.8 | 164.2 | -173.8 | 0 | 0 | 113 | S110 F114 | S110-E112 VanDerWaalsContact C-N 3.31Å; S110-E112 PolarHBondContact O-N 3.41Å; E112-F114 VanDerWaalsContact C-N 3.29Å; E112-F114 PolarHBondContact O-N 3.13Å |
| 113 | N | 86.2 | Confident | 81.7 | Confident | 78 Ų | 78 | 80.2 Ų | 80.2 | 42% | 0.417 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -80.4 | -3.2 | 176.5 | -74.9 | -62 | 0 | 0 | 0 | 113.7 | P108 S110 A111 | P108-N113 HydrophobicContact CB-CB 3.68Å; S110-N113 PolarHBondContact O-N 3.16Å; S110-N113 PolarHBondContact OG-ND2 3.42Å; A111-N113 PolarHBondContact O-N 3.33Å |
| 114 | F | 87.1 | Confident | 79.7 | Confident | 57 Ų | 57 | 83.4 Ų | 83.4 | 25% | 0.25 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -68.9 | 137.3 | 171.7 | -74 | -61.5 | 0 | 0 | 0 | 110.7 | L43 P108 A111 E112 C116 F117 | L43-F114 HydrophobicContact CD1-CD1 3.8Å; L43-F114 HydrophobicContact CD1-CE1 4.29Å; L43-F114 HydrophobicContact CD2-CD1 3.79Å; L43-F114 HydrophobicContact CD2-CE1 3.94Å; L43-F114 HydrophobicContact CG-CD1 4.46Å; P108-F114 HydrophobicContact CG-CD1 3.56Å; P108-F114 HydrophobicContact CG-CE1 3.44Å; P108-F114 VanDerWaalsContact CG-CE1 3.44Å; P108-F114 HydrophobicContact CG-CG 4.38Å; P108-F114 HydrophobicContact CG-CZ 4.17Å; A111-F114 HydrophobicContact CB-CD2 4.38Å; A111-F114 WeakPolarHBondContact O-CB 3.46Å; A111-F114 VanDerWaalsContact O-CD2 3.25Å; A111-F114 WeakPolarHBondContact O-CD2 3.47Å; A111-F114 PolarHBondContact O-N 3.09Å; E112-F114 VanDerWaalsContact C-N 3.29Å; E112-F114 PolarHBondContact O-N 3.13Å; F114-C116 PolarHBondContact O-N 3.33Å; F114-F117 HydrophobicContact CB-CD2 4.08Å; F114-F117 HydrophobicContact CB-CE2 4.35Å; F114-F117 PolarHBondContact O-N 2.99Å |
| 115 | P | 85 | Confident | 77.7 | Confident | 12 Ų | 12 | 85.4 Ų | 85.4 | 8% | 0.078 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -53.3 | -23 | 179.9 | -32.2 | 37.4 | 0 | 0 | 0 | 116.1 | I9 F10 F117 I118 L119 | I9-P115 WeakPolarHBondContact O-CG 3.45Å; F10-P115 HydrophobicContact CB-CB 3.72Å; F10-P115 HydrophobicContact CB-CG 3.83Å; P115-F117 VanDerWaalsContact C-N 3.29Å; P115-F117 PolarHBondContact O-N 3.19Å; P115-I118 PolarHBondContact O-N 3.35Å; P115-L119 HydrophobicContact CB-CD1 4Å; P115-L119 HydrophobicContact CB-CG 4.49Å; P115-L119 WeakPolarHBondContact O-CB 3.02Å; P115-L119 VanDerWaalsContact O-CG 3.3Å; P115-L119 WeakPolarHBondContact O-CG 3.07Å; P115-L119 PolarHBondContact O-N 3.16Å |
| 116 | C | 81.6 | Confident | 75.5 | Confident | 96 Ų | 96 | 85.3 Ų | 85.3 | 65% | 0.649 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.4 | -19.3 | 177 | 53.2 | 0 | 0 | 0 | 0 | 114.7 | F114 | F114-C116 PolarHBondContact O-N 3.33Å |
| 117 | F | 82.8 | Confident | 73.3 | Confident | 128 Ų | 128 | 93.3 Ų | 93.3 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -91.6 | -33.3 | 172.8 | -62.1 | -79.9 | 0 | 0 | 0 | 112 | A111 F114 P115 | A111-F117 WeakPolarHBondContact O-CD2 3.46Å; A111-F117 WeakPolarHBondContact O-CE2 3.23Å; F114-F117 HydrophobicContact CB-CD2 4.08Å; F114-F117 HydrophobicContact CB-CE2 4.35Å; F114-F117 PolarHBondContact O-N 2.99Å; P115-F117 VanDerWaalsContact C-N 3.29Å; P115-F117 PolarHBondContact O-N 3.19Å |
| 118 | I | 80.9 | Confident | 71.2 | Confident | 80 Ų | 80 | 95.9 Ų | 95.9 | 41% | 0.41 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -76.7 | -45.3 | 179.6 | -50.5 | 169.6 | 0 | 0 | 0 | 111 | I9 P115 Q120 | I9-I118 HydrophobicContact CD1-CB 4.11Å; I9-I118 HydrophobicContact CD1-CD1 4.34Å; I9-I118 HydrophobicContact CD1-CG2 3.58Å; P115-I118 PolarHBondContact O-N 3.35Å; I118-Q120 VanDerWaalsContact C-N 3.3Å; I118-Q120 PolarHBondContact O-N 3.13Å |
| 119 | L | 77.4 | Confident | 69.1 | Low | 78 Ų | 78 | 99.7 Ų | 99.7 | 41% | 0.408 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -83.4 | 69.8 | -179.4 | -59.7 | 172.5 | 0 | 0 | 0 | 110.9 | I9 F10 P115 P121 | I9-L119 HydrophobicContact CD1-CD2 4.01Å; I9-L119 HydrophobicContact CD1-CG 4.33Å; F10-L119 HydrophobicContact CB-CD1 3.96Å; F10-L119 HydrophobicContact CD1-CD1 3.76Å; F10-L119 HydrophobicContact CD1-CD2 4.45Å; F10-L119 HydrophobicContact CD2-CD1 4.49Å; F10-L119 HydrophobicContact CE1-CD1 4.34Å; F10-L119 HydrophobicContact CG-CD1 3.84Å; P115-L119 HydrophobicContact CB-CD1 4Å; P115-L119 HydrophobicContact CB-CG 4.49Å; P115-L119 WeakPolarHBondContact O-CB 3.02Å; P115-L119 VanDerWaalsContact O-CG 3.3Å; P115-L119 WeakPolarHBondContact O-CG 3.07Å; P115-L119 PolarHBondContact O-N 3.16Å; L119-P121 VanDerWaalsContact O-CD 3.23Å; L119-P121 WeakPolarHBondContact O-CD 3.34Å; L119-P121 VanDerWaalsContact O-N 3.16Å |
| 120 | Q | 66.7 | Low | 67.2 | Low | 168 Ų | 168 | 101.3 Ų | 101.3 | 79% | 0.785 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -56 | 118.9 | 171.5 | -66 | -169.8 | 7.9 | 0 | 0 | 110.1 | I118 T122 | I118-Q120 VanDerWaalsContact C-N 3.3Å; I118-Q120 PolarHBondContact O-N 3.13Å; Q120-T122 PolarHBondContact O-N 3.41Å |
| 121 | P | 59.7 | Low | 65.3 | Low | 97 Ų | 97 | 103 Ų | 103 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 129 | 174.7 | -18.3 | 32 | 0 | 0 | 0 | 109.2 | L119 L123 | L119-P121 VanDerWaalsContact O-CD 3.23Å; L119-P121 WeakPolarHBondContact O-CD 3.34Å; L119-P121 VanDerWaalsContact O-N 3.16Å; P121-L123 PolarHBondContact O-N 3.34Å |
| 122 | T | 55.7 | Low | 63.6 | Low | 116 Ų | 116 | 107 Ų | 107 | 71% | 0.712 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 134.5 | 169.8 | 42.2 | 0 | 0 | 0 | 0 | 109.5 | Q120 S124 | Q120-T122 PolarHBondContact O-N 3.41Å; T122-S124 PolarHBondContact O-N 2.88Å |
| 123 | L | 50.5 | Low | 62.3 | Low | 167 Ų | 167 | 107.1 Ų | 107.1 | 87% | 0.874 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -11 | -158.5 | -72.8 | 158.2 | 0 | 0 | 0 | 116.1 | P121 Y125 G126 | P121-L123 PolarHBondContact O-N 3.34Å; L123-Y125 PolarHBondContact O-N 3.42Å; L123-Y125 VanDerWaalsContact O-N 3.16Å; L123-G126 PolarHBondContact O-N 2.98Å |
| 124 | S | 51.2 | Low | 61.3 | Low | 79 Ų | 79 | 111.8 Ų | 111.8 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.8 | -33.3 | 177.7 | -52.3 | 0 | 0 | 0 | 0 | 114.8 | T122 G126 K127 | T122-S124 PolarHBondContact O-N 2.88Å; S124-G126 PolarHBondContact O-N 3.15Å; S124-K127 PolarHBondContact O-N 3.41Å; S124-K127 VanDerWaalsContact O-N 3.15Å |
| 125 | Y | 49.3 | Very low | 60.5 | Low | 134 Ų | 134 | 112 Ų | 112 | 53% | 0.525 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.5 | -25.6 | 177.3 | -92.8 | -80.3 | 0 | 0 | 0 | 113.5 | L123 K127 | L123-Y125 PolarHBondContact O-N 3.42Å; L123-Y125 VanDerWaalsContact O-N 3.16Å; Y125-K127 VanDerWaalsContact C-N 3.27Å; Y125-K127 PolarHBondContact O-N 3.07Å |
| 126 | G | 45.9 | Very low | 60.1 | Low | 58 Ų | 58 | 117.6 Ų | 117.6 | 60% | 0.598 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.2 | -22.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L123 S124 | L123-G126 PolarHBondContact O-N 2.98Å; S124-G126 PolarHBondContact O-N 3.15Å |
| 127 | K | 47.5 | Very low | 60.2 | Low | 174 Ų | 174 | 115.3 Ų | 115.3 | 76% | 0.757 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -89.9 | -29 | 179.8 | -72.8 | -172.5 | 174.8 | -177.5 | 0 | 113.8 | S124 Y125 | S124-K127 PolarHBondContact O-N 3.41Å; S124-K127 VanDerWaalsContact O-N 3.15Å; Y125-K127 VanDerWaalsContact C-N 3.27Å; Y125-K127 PolarHBondContact O-N 3.07Å |
| 128 | L | 48.7 | Very low | 60.3 | Low | 138 Ų | 138 | 113 Ų | 113 | 72% | 0.723 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -79.8 | -27.7 | -173.6 | -68.8 | 170.1 | 0 | 0 | 0 | 114 | ||
| 129 | N | 45.7 | Very low | 60.7 | Low | 89 Ų | 89 | 117.6 Ų | 117.6 | 48% | 0.476 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.8 | 29.6 | -174.8 | -75.6 | -29.5 | 0 | 0 | 0 | 114.4 | G131 L132 | N129-G131 VanDerWaalsContact C-N 3.26Å; N129-G131 PolarHBondContact O-N 3.38Å; N129-L132 PolarHBondContact O-N 2.8Å |
| 130 | L | 47.9 | Very low | 61.4 | Low | 118 Ų | 118 | 120.2 Ų | 120.2 | 62% | 0.618 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -32 | 177.5 | -82.2 | 166.9 | 0 | 0 | 0 | 113.4 | ||
| 131 | G | 49.5 | Very low | 62.6 | Low | 79 Ų | 79 | 116.6 Ų | 116.6 | 81% | 0.814 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -10.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N129 | N129-G131 VanDerWaalsContact C-N 3.26Å; N129-G131 PolarHBondContact O-N 3.38Å |
| 132 | L | 50.5 | Low | 63.9 | Low | 142 Ų | 142 | 113.4 Ų | 113.4 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | trans | -131.8 | 47.9 | -175.4 | -71 | 176.2 | 0 | 0 | 0 | 111.9 | N129 K134 | N129-L132 PolarHBondContact O-N 2.8Å; L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 2.77Å | ||
| 133 | K | 58.6 | Low | 65.5 | Low | 162 Ų | 162 | 109 Ų | 109 | 70% | 0.704 | 56% | 0.557 | S | S | * | * | trans | -68.4 | 91.5 | 166.2 | -73.6 | -176.2 | 178.5 | 174 | 0 | 109.5 | ||||
| 134 | K | 65.9 | Low | 67.4 | Low | 175 Ų | 175 | 105.2 Ų | 105.2 | 76% | 0.761 | 53% | 0.532 | S | S | * | . | trans | -47.6 | 121.7 | 168.3 | 179.8 | 179.3 | 178.9 | 179.3 | 0 | 108.6 | L132 L136 | L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 2.77Å; K134-L136 PolarHBondContact O-N 2.62Å | ||
| 135 | P | 69.9 | Low | 69.2 | Low | 62 Ų | 62 | 104.6 Ų | 104.6 | 40% | 0.403 | 53% | 0.527 | S | S | . | . | trans | -59.5 | 134.5 | -179.8 | 22.4 | -32.1 | 0 | 0 | 0 | 109.7 | F137 D142 | P135-F137 HydrophobicContact CB-CD2 4.2Å; P135-F137 HydrophobicContact CB-CE1 4.47Å; P135-F137 HydrophobicContact CB-CE2 3.82Å; P135-F137 HydrophobicContact CB-CZ 3.97Å; P135-F137 HydrophobicContact CG-CD2 4.49Å; P135-F137 HydrophobicContact CG-CE2 3.67Å; P135-F137 HydrophobicContact CG-CZ 3.78Å; P135-D142 WeakPolarHBondContact CA-OD2 3.19Å; P135-D142 HydrophobicContact CB-CB 3.98Å | ||
| 136 | L | 76.3 | Confident | 70.8 | Confident | 129 Ų | 129 | 99.3 Ų | 99.3 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | trans | -89.3 | -19.3 | 178.7 | -62.4 | 178.2 | 0 | 0 | 0 | 111 | K134 D138 D142 | K134-L136 PolarHBondContact O-N 2.62Å; L136-D138 WeakPolarHBondContact CB-OD2 3.41Å; L136-D138 PolarHBondContact O-N 3.42Å; L136-D142 PolarHBondContact N-OD2 3.1Å | ||
| 137 | F | 84.3 | Confident | 72.8 | Confident | 49 Ų | 49 | 96.7 Ų | 96.7 | 22% | 0.215 | 48% | 0.479 | C | S | . | . | S | Bend | trans | 66.5 | 12.8 | -175.1 | -63.1 | -81.5 | 0 | 0 | 0 | 114.5 | P135 R139 D142 W143 E146 | P135-F137 HydrophobicContact CB-CD2 4.2Å; P135-F137 HydrophobicContact CB-CE1 4.47Å; P135-F137 HydrophobicContact CB-CE2 3.82Å; P135-F137 HydrophobicContact CB-CZ 3.97Å; P135-F137 HydrophobicContact CG-CD2 4.49Å; P135-F137 HydrophobicContact CG-CE2 3.67Å; P135-F137 HydrophobicContact CG-CZ 3.78Å; F137-R139 PolarHBondContact O-N 2.86Å; F137-D142 HydrophobicContact CD1-CB 3.91Å; F137-D142 HydrophobicContact CE1-CB 4.29Å; F137-D142 HydrophobicContact CG-CB 4.36Å; F137-D142 PolarHBondContact N-OD2 3Å; F137-W143 HydrophobicContact CB-CZ2 3.83Å; F137-W143 AromaticContact CD1-CD2 3.75Å; F137-W143 HydrophobicContact CD1-CD2 3.75Å; F137-W143 AromaticContact CD1-CE2 3.77Å; F137-W143 HydrophobicContact CD1-CE3 4.09Å; F137-W143 HydrophobicContact CD1-CG 4.13Å; F137-W143 HydrophobicContact CD1-CH2 4.48Å; F137-W143 HydrophobicContact CD1-CZ2 4.16Å; F137-W143 HydrophobicContact CD1-CZ3 4.44Å; F137-W143 HydrophobicContact CG-CZ2 4.29Å; F137-W143 PolarHBondContact O-NE1 2.88Å; F137-E146 HydrophobicContact CE1-CB 3.87Å; F137-E146 HydrophobicContact CE1-CG 4.34Å; F137-E146 HydrophobicContact CZ-CB 4.32Å |
| 138 | D | 85.3 | Confident | 74.7 | Confident | 80 Ų | 80 | 93.6 Ų | 93.6 | 43% | 0.428 | 47% | 0.469 | S | S | . | . | trans | -79.3 | -0.7 | 169.4 | -61.5 | -47.3 | 0 | 0 | 0 | 113.6 | L136 P174 F175 | L136-D138 WeakPolarHBondContact CB-OD2 3.41Å; L136-D138 PolarHBondContact O-N 3.42Å; D138-P174 HydrophobicContact CB-CG 4.39Å; D138-P174 WeakPolarHBondContact OD1-CD 3.48Å; D138-F175 WeakPolarHBondContact O-CD2 3.38Å; D138-F175 WeakPolarHBondContact O-CE2 3.49Å | ||
| 139 | R | 88.9 | Confident | 76.4 | Confident | 176 Ų | 176 | 93.9 Ų | 93.9 | 66% | 0.664 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -126.8 | 141 | -175.6 | -61.3 | 177 | 176.2 | -156.4 | -5.8 | 110.4 | F137 E141 D142 | F137-R139 PolarHBondContact O-N 2.86Å; R139-E141 PolarHBondContact O-N 3.3Å; R139-D142 PolarHBondContact O-N 3.13Å |
| 140 | R | 92.1 | Very high | 78.1 | Confident | 133 Ų | 133 | 90 Ų | 90 | 50% | 0.502 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -52.7 | -36.4 | 172.4 | 176.9 | 172.3 | -77 | 178.9 | -3 | 112.4 | W143 R144 I159 F175 | R140-W143 PolarHBondContact O-N 3.13Å; R140-R144 PolarHBondContact O-N 3.43Å; R140-I159 HydrophobicContact CB-CG2 4.38Å; R140-I159 HydrophobicContact CG-CB 4.24Å; R140-I159 HydrophobicContact CG-CD1 3.93Å; R140-I159 HydrophobicContact CG-CG2 3.97Å; R140-I159 PolarHBondContact NH2-O 3.36Å; R140-I159 WeakPolarHBondContact O-CD1 3.46Å; R140-F175 HydrophobicContact CB-CD1 4.05Å; R140-F175 HydrophobicContact CB-CE1 4.17Å; R140-F175 HydrophobicContact CB-CG 4.26Å; R140-F175 HydrophobicContact CB-CZ 4.49Å |
| 141 | E | 90.9 | Very high | 79.4 | Confident | 92 Ų | 92 | 86.6 Ų | 86.6 | 43% | 0.43 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68 | -37.9 | -178.4 | -170.6 | 62 | -175.3 | 0 | 0 | 113.4 | R139 W143 R144 C145 | R139-E141 PolarHBondContact O-N 3.3Å; E141-W143 VanDerWaalsContact C-N 3.27Å; E141-W143 PolarHBondContact O-N 3.41Å; E141-R144 VanDerWaalsContact CD-NE 3.34Å; E141-R144 PolarHBondContact O-N 2.81Å; E141-R144 VanDerWaalsContact O-N 3.13Å; E141-R144 IonicContact OE1-CZ 3.35Å; E141-R144 IonicContact OE1-NE 2.8Å; E141-R144 PolarHBondContact OE1-NE 2.94Å; E141-R144 IonicContact OE1-NH2 2.68Å; E141-R144 PolarHBondContact OE1-NH2 2.83Å; E141-R144 WeakPolarHBondContact OE2-CD 3.27Å; E141-R144 IonicContact OE2-CZ 3.74Å; E141-R144 IonicContact OE2-NE 3.2Å; E141-R144 PolarHBondContact OE2-NE 2.91Å; E141-R144 IonicContact OE2-NH2 3.81Å; E141-C145 WeakPolarHBondContact O-CB 3.27Å; E141-C145 PolarHBondContact O-N 3.02Å; E141-C145 PolarHBondContact O-SG 2.69Å; E141-C145 VanDerWaalsContact O-SG 3.41Å |
| 142 | D | 87.9 | Confident | 80.5 | Confident | 30 Ų | 30 | 83.1 Ų | 83.1 | 16% | 0.16 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 175.8 | -64.4 | 21.6 | 0 | 0 | 0 | 110.9 | P135 L136 F137 R139 E146 | P135-D142 WeakPolarHBondContact CA-OD2 3.19Å; P135-D142 HydrophobicContact CB-CB 3.98Å; L136-D142 PolarHBondContact N-OD2 3.1Å; F137-D142 HydrophobicContact CD1-CB 3.91Å; F137-D142 HydrophobicContact CE1-CB 4.29Å; F137-D142 HydrophobicContact CG-CB 4.36Å; F137-D142 PolarHBondContact N-OD2 3Å; R139-D142 PolarHBondContact O-N 3.13Å; D142-E146 PolarHBondContact O-N 3.46Å; D142-E146 VanDerWaalsContact O-N 3.09Å |
| 143 | W | 89.3 | Confident | 81.2 | Confident | 22 Ų | 22 | 81.1 Ų | 81.1 | 8% | 0.083 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.1 | -37.5 | 175.4 | -68.2 | 99.6 | 0 | 0 | 0 | 113.3 | F137 R140 E141 C145 E146 L147 I159 P173 F175 F176 V177 F201 W202 | F137-W143 HydrophobicContact CB-CZ2 3.83Å; F137-W143 AromaticContact CD1-CD2 3.75Å; F137-W143 HydrophobicContact CD1-CD2 3.75Å; F137-W143 AromaticContact CD1-CE2 3.77Å; F137-W143 HydrophobicContact CD1-CE3 4.09Å; F137-W143 HydrophobicContact CD1-CG 4.13Å; F137-W143 HydrophobicContact CD1-CH2 4.48Å; F137-W143 HydrophobicContact CD1-CZ2 4.16Å; F137-W143 HydrophobicContact CD1-CZ3 4.44Å; F137-W143 HydrophobicContact CG-CZ2 4.29Å; F137-W143 PolarHBondContact O-NE1 2.88Å; R140-W143 PolarHBondContact O-N 3.13Å; E141-W143 VanDerWaalsContact C-N 3.27Å; E141-W143 PolarHBondContact O-N 3.41Å; W143-C145 VanDerWaalsContact C-N 3.3Å; W143-C145 PolarHBondContact O-N 2.98Å; W143-E146 PolarHBondContact O-N 3.33Å; W143-L147 WeakPolarHBondContact O-CB 3.5Å; W143-L147 WeakPolarHBondContact O-CG 3.3Å; W143-L147 PolarHBondContact O-N 3.39Å; W143-I159 HydrophobicContact CB-CD1 4.03Å; W143-I159 HydrophobicContact CB-CG1 4.08Å; W143-I159 HydrophobicContact CB-CG2 4.07Å; W143-I159 HydrophobicContact CG-CG2 4.39Å; W143-P173 HydrophobicContact CZ2-CG 4.4Å; W143-F175 PolarHBondContact NE1-O 2.9Å; W143-F176 HydrophobicContact CH2-CB 4.46Å; W143-F176 HydrophobicContact CZ2-CB 4.15Å; W143-V177 HydrophobicContact CB-CG2 4.03Å; W143-V177 HydrophobicContact CD2-CG2 4.05Å; W143-V177 HydrophobicContact CE3-CB 4.37Å; W143-V177 HydrophobicContact CE3-CG2 3.56Å; W143-V177 HydrophobicContact CG-CG2 4.28Å; W143-V177 HydrophobicContact CZ3-CG2 4.33Å; W143-F201 HydrophobicContact CH2-CE2 4.16Å; W143-W202 HydrophobicContact CE3-CE3 4.5Å; W143-W202 HydrophobicContact CE3-CZ3 4.32Å; W143-W202 HydrophobicContact CZ3-CE3 4.33Å; W143-W202 HydrophobicContact CZ3-CZ3 4.38Å |
| 144 | R | 91 | Very high | 81.5 | Confident | 88 Ų | 88 | 78.1 Ų | 78.1 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 175 | -162.7 | -170.8 | 70.4 | 78.4 | 1.1 | 110.7 | R140 E141 M148 I159 | R140-R144 PolarHBondContact O-N 3.43Å; E141-R144 VanDerWaalsContact CD-NE 3.34Å; E141-R144 PolarHBondContact O-N 2.81Å; E141-R144 VanDerWaalsContact O-N 3.13Å; E141-R144 IonicContact OE1-CZ 3.35Å; E141-R144 IonicContact OE1-NE 2.8Å; E141-R144 PolarHBondContact OE1-NE 2.94Å; E141-R144 IonicContact OE1-NH2 2.68Å; E141-R144 PolarHBondContact OE1-NH2 2.83Å; E141-R144 WeakPolarHBondContact OE2-CD 3.27Å; E141-R144 IonicContact OE2-CZ 3.74Å; E141-R144 IonicContact OE2-NE 3.2Å; E141-R144 PolarHBondContact OE2-NE 2.91Å; E141-R144 IonicContact OE2-NH2 3.81Å; R144-M148 VanDerWaalsContact O-CG 3.28Å; R144-M148 WeakPolarHBondContact O-CG 3.35Å; R144-M148 PolarHBondContact O-N 3.16Å; R144-I159 HydrophobicContact CB-CD1 3.88Å; R144-I159 HydrophobicContact CG-CD1 4.47Å |
| 145 | C | 87.9 | Confident | 82 | Confident | 66 Ų | 66 | 76.4 Ų | 76.4 | 45% | 0.446 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 175.8 | -71.8 | 0 | 0 | 0 | 0 | 112.8 | E141 W143 M148 R149 | E141-C145 WeakPolarHBondContact O-CB 3.27Å; E141-C145 PolarHBondContact O-N 3.02Å; E141-C145 PolarHBondContact O-SG 2.69Å; E141-C145 VanDerWaalsContact O-SG 3.41Å; W143-C145 VanDerWaalsContact C-N 3.3Å; W143-C145 PolarHBondContact O-N 2.98Å; C145-M148 PolarHBondContact O-N 2.88Å; C145-R149 WeakPolarHBondContact O-CB 3.23Å; C145-R149 PolarHBondContact O-N 3.26Å |
| 146 | E | 83.9 | Confident | 82.9 | Confident | 23 Ų | 23 | 75.8 Ų | 75.8 | 11% | 0.107 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 175.8 | -177 | 72.5 | 170.4 | 0 | 0 | 111.7 | F137 D142 W143 R149 T150 W202 K334 | F137-E146 HydrophobicContact CE1-CB 3.87Å; F137-E146 HydrophobicContact CE1-CG 4.34Å; F137-E146 HydrophobicContact CZ-CB 4.32Å; D142-E146 PolarHBondContact O-N 3.46Å; D142-E146 VanDerWaalsContact O-N 3.09Å; W143-E146 PolarHBondContact O-N 3.33Å; E146-R149 VanDerWaalsContact CD-NH2 3.28Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 2.95Å; E146-R149 IonicContact OE1-CZ 2.87Å; E146-R149 IonicContact OE1-NE 3.23Å; E146-R149 IonicContact OE1-NH2 3.42Å; E146-R149 PolarHBondContact OE1-NH2 2.81Å; E146-R149 IonicContact OE2-CZ 3.34Å; E146-R149 IonicContact OE2-NE 3.75Å; E146-R149 PolarHBondContact OE2-NE 3.08Å; E146-R149 IonicContact OE2-NH2 3.43Å; E146-R149 PolarHBondContact OE2-NH2 3.47Å; E146-T150 WeakPolarHBondContact O-CG2 3.36Å; E146-T150 PolarHBondContact O-N 3.13Å; E146-T150 PolarHBondContact O-OG1 2.77Å; E146-W202 HydrophobicContact CG-CH2 3.97Å; E146-W202 HydrophobicContact CG-CZ3 4.1Å; E146-K334 IonicContact OE1-NZ 2.76Å; E146-K334 PolarHBondContact OE1-NZ 2.9Å |
| 147 | L | 87.4 | Confident | 83.6 | Confident | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 173.3 | -82.1 | 167.3 | 0 | 0 | 0 | 112.5 | W143 R149 T150 G151 S152 W157 I159 V177 W202 | W143-L147 WeakPolarHBondContact O-CB 3.5Å; W143-L147 WeakPolarHBondContact O-CG 3.3Å; W143-L147 PolarHBondContact O-N 3.39Å; L147-R149 VanDerWaalsContact C-N 3.31Å; L147-R149 PolarHBondContact O-N 3.35Å; L147-T150 PolarHBondContact O-N 2.88Å; L147-T150 PolarHBondContact O-OG1 3.45Å; L147-G151 PolarHBondContact O-N 2.9Å; L147-S152 WeakPolarHBondContact O-CB 3.46Å; L147-S152 PolarHBondContact O-N 3.28Å; L147-W157 HydrophobicContact CD1-CB 4.48Å; L147-W157 HydrophobicContact CD2-CB 3.76Å; L147-W157 HydrophobicContact CD2-CG 4.11Å; L147-I159 HydrophobicContact CD1-CD1 4.24Å; L147-I159 HydrophobicContact CD1-CG1 3.97Å; L147-V177 HydrophobicContact CD1-CG1 4.23Å; L147-V177 HydrophobicContact CD1-CG2 3.89Å; L147-V177 HydrophobicContact CD2-CG1 4.14Å; L147-V177 HydrophobicContact CG-CG2 4.28Å; L147-W202 HydrophobicContact CD2-CD2 4.39Å; L147-W202 HydrophobicContact CD2-CH2 3.83Å; L147-W202 HydrophobicContact CD2-CZ2 3.66Å; L147-W202 HydrophobicContact CD2-CZ3 4.28Å; L147-W202 HydrophobicContact CG-CH2 4.12Å; L147-W202 HydrophobicContact CG-CZ2 4.45Å; L147-W202 HydrophobicContact CG-CZ3 4.38Å |
| 148 | M | 87.8 | Confident | 84.1 | Confident | 110 Ų | 110 | 70.4 Ų | 70.4 | 54% | 0.542 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 174.8 | -67.9 | -62.7 | -57.4 | 0 | 0 | 111.5 | R144 C145 T150 G151 | R144-M148 VanDerWaalsContact O-CG 3.28Å; R144-M148 WeakPolarHBondContact O-CG 3.35Å; R144-M148 PolarHBondContact O-N 3.16Å; C145-M148 PolarHBondContact O-N 2.88Å; M148-T150 VanDerWaalsContact C-N 3.31Å; M148-T150 PolarHBondContact O-N 2.6Å; M148-G151 PolarHBondContact O-N 3.29Å |
| 149 | R | 84.1 | Confident | 84.5 | Confident | 143 Ų | 143 | 68 Ų | 68 | 54% | 0.54 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.4 | -29.7 | 178.9 | -165.7 | -163.2 | 62.9 | 71.7 | 0.3 | 113 | C145 E146 L147 G151 | C145-R149 WeakPolarHBondContact O-CB 3.23Å; C145-R149 PolarHBondContact O-N 3.26Å; E146-R149 VanDerWaalsContact CD-NH2 3.28Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 2.95Å; E146-R149 IonicContact OE1-CZ 2.87Å; E146-R149 IonicContact OE1-NE 3.23Å; E146-R149 IonicContact OE1-NH2 3.42Å; E146-R149 PolarHBondContact OE1-NH2 2.81Å; E146-R149 IonicContact OE2-CZ 3.34Å; E146-R149 IonicContact OE2-NE 3.75Å; E146-R149 PolarHBondContact OE2-NE 3.08Å; E146-R149 IonicContact OE2-NH2 3.43Å; E146-R149 PolarHBondContact OE2-NH2 3.47Å; L147-R149 VanDerWaalsContact C-N 3.31Å; L147-R149 PolarHBondContact O-N 3.35Å; R149-G151 VanDerWaalsContact C-N 3.33Å |
| 150 | T | 80.9 | Confident | 84.7 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 1.7 | 177.3 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | E146 L147 M148 S152 W202 W204 | E146-T150 WeakPolarHBondContact O-CG2 3.36Å; E146-T150 PolarHBondContact O-N 3.13Å; E146-T150 PolarHBondContact O-OG1 2.77Å; L147-T150 PolarHBondContact O-N 2.88Å; L147-T150 PolarHBondContact O-OG1 3.45Å; M148-T150 VanDerWaalsContact C-N 3.31Å; M148-T150 PolarHBondContact O-N 2.6Å; T150-S152 PolarHBondContact O-N 3.46Å; T150-S152 PolarHBondContact OG1-OG 3.13Å; T150-W202 HydrophobicContact CG2-CH2 4.22Å; T150-W202 HydrophobicContact CG2-CZ2 4.26Å; T150-W202 WeakPolarHBondContact OG1-CZ2 3.49Å; T150-W204 HydrophobicContact CG2-CG 4.29Å |
| 151 | G | 75.7 | Confident | 84.8 | Confident | 47 Ų | 47 | 53.4 Ų | 53.4 | 49% | 0.485 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 18.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L147 M148 R149 N153 | L147-G151 PolarHBondContact O-N 2.9Å; M148-G151 PolarHBondContact O-N 3.29Å; R149-G151 VanDerWaalsContact C-N 3.33Å; G151-N153 PolarHBondContact O-N 3.11Å |
| 152 | S | 71.3 | Confident | 84.8 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | trans | -77.6 | 105.9 | -179.7 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | L147 T150 Q154 S205 | L147-S152 WeakPolarHBondContact O-CB 3.46Å; L147-S152 PolarHBondContact O-N 3.28Å; T150-S152 PolarHBondContact O-N 3.46Å; T150-S152 PolarHBondContact OG1-OG 3.13Å; S152-Q154 PolarHBondContact O-N 2.81Å; S152-S205 WeakPolarHBondContact OG-CB 3.23Å; S152-S205 PolarHBondContact OG-OG 3.29Å | ||
| 153 | N | 66 | Low | 84.8 | Confident | 99 Ų | 99 | 48.6 Ų | 48.6 | 53% | 0.529 | 24% | 0.243 | S | C | . | . | trans | -56.2 | 131.5 | 173 | -75.8 | -19.7 | 0 | 0 | 0 | 111.1 | G151 H155 H156 | G151-N153 PolarHBondContact O-N 3.11Å; N153-H155 PolarHBondContact O-N 2.93Å; N153-H156 PolarHBondContact O-N 3.41Å | ||
| 154 | Q | 64.1 | Low | 84.8 | Confident | 99 Ų | 99 | 54.5 Ų | 54.5 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -9.5 | 177.7 | -62.6 | 177.4 | 38.8 | 0 | 0 | 112.9 | S152 H156 | S152-Q154 PolarHBondContact O-N 2.81Å; Q154-H156 VanDerWaalsContact C-N 3.32Å |
| 155 | H | 76.3 | Confident | 84.7 | Confident | 140 Ų | 140 | 56.9 Ų | 56.9 | 65% | 0.648 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -12.4 | 172.4 | -53.3 | -63.2 | 0 | 0 | 0 | 113.8 | N153 L180 F239 | N153-H155 PolarHBondContact O-N 2.93Å; H155-L180 WeakPolarHBondContact O-CD2 3.15Å; H155-F239 WeakPolarHBondContact O-CD1 3.26Å; H155-F239 WeakPolarHBondContact O-CE1 3.37Å |
| 156 | H | 88.8 | Confident | 84.5 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 22% | 0.222 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -28.2 | -179.1 | -62.7 | -152.5 | 0 | 0 | 0 | 111.7 | N153 Q154 L180 F239 | N153-H156 PolarHBondContact O-N 3.41Å; Q154-H156 VanDerWaalsContact C-N 3.32Å; H156-L180 PolarHBondContact O-N 2.96Å; H156-F239 HydrophobicContact CB-CB 3.77Å; H156-F239 HydrophobicContact CB-CD1 4.36Å; H156-F239 HydrophobicContact CB-CG 4.16Å; H156-F239 PolarHBondContact CE1-O 2.81Å; H156-F239 PolarHBondContact ND1-O 3.49Å |
| 157 | W | 92.7 | Very high | 84.4 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 6% | 0.057 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 131.7 | -167.9 | -59.1 | 101.5 | 0 | 0 | 0 | 111 | L147 V177 P179 W202 S205 A211 L213 | L147-W157 HydrophobicContact CD1-CB 4.48Å; L147-W157 HydrophobicContact CD2-CB 3.76Å; L147-W157 HydrophobicContact CD2-CG 4.11Å; W157-V177 HydrophobicContact CB-CG1 3.77Å; W157-V177 HydrophobicContact CE3-CG1 4.18Å; W157-V177 HydrophobicContact CG-CG1 4.36Å; W157-P179 HydrophobicContact CE3-CG 4.49Å; W157-P179 HydrophobicContact CH2-CG 4.4Å; W157-P179 HydrophobicContact CZ3-CB 4.26Å; W157-P179 HydrophobicContact CZ3-CG 3.77Å; W157-W202 AromaticContact CD2-CD1 3.53Å; W157-W202 HydrophobicContact CD2-CG 4.22Å; W157-W202 AromaticContact CD2-NE1 3.99Å; W157-W202 AromaticContact CE2-CD1 3.65Å; W157-W202 AromaticContact CE2-NE1 3.94Å; W157-W202 HydrophobicContact CE3-CB 3.89Å; W157-W202 AromaticContact CE3-CD1 3.56Å; W157-W202 AromaticContact CE3-CG 3.95Å; W157-W202 HydrophobicContact CE3-CG 3.95Å; W157-W202 AromaticContact CH2-CD1 3.92Å; W157-W202 AromaticContact CZ2-CD1 3.88Å; W157-W202 HydrophobicContact CZ3-CB 3.98Å; W157-W202 AromaticContact CZ3-CD1 3.74Å; W157-W202 HydrophobicContact CZ3-CG 4.23Å; W157-S205 PolarHBondContact NE1-OG 3.09Å; W157-A211 HydrophobicContact CH2-CB 3.76Å; W157-A211 HydrophobicContact CZ2-CB 3.34Å; W157-L213 HydrophobicContact CH2-CD1 4.39Å; W157-L213 HydrophobicContact CH2-CD2 3.89Å; W157-L213 HydrophobicContact CH2-CG 4.44Å; W157-L213 HydrophobicContact CZ3-CD2 3.79Å |
| 158 | R | 93.5 | Very high | 84.1 | Confident | 51 Ų | 51 | 65.8 Ų | 65.8 | 19% | 0.192 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 152.1 | 176.8 | 70.6 | 178.6 | -171.5 | 82.7 | 12.4 | 112 | V177 V178 L180 W182 D184 | R158-V177 WeakPolarHBondContact O-CA 3.41Å; R158-V178 HydrophobicContact CG-CG2 3.72Å; R158-V178 PolarHBondContact N-O 3.36Å; R158-V178 PolarHBondContact O-N 3.12Å; R158-L180 HydrophobicContact CB-CD1 3.97Å; R158-L180 WeakPolarHBondContact CD-O 3.31Å; R158-W182 VanDerWaalsContact CZ-O 3.22Å; R158-W182 PolarHBondContact NE-O 3.01Å; R158-W182 PolarHBondContact NH2-O 2.84Å; R158-D184 IonicContact CZ-OD1 2.64Å; R158-D184 IonicContact CZ-OD2 3.53Å; R158-D184 VanDerWaalsContact NH1-CG 3.35Å; R158-D184 IonicContact NH1-OD1 3.68Å; R158-D184 PolarHBondContact NH1-OD1 2.93Å; R158-D184 IonicContact NH1-OD2 3.4Å; R158-D184 PolarHBondContact NH1-OD2 3.29Å; R158-D184 IonicContact NH2-OD1 3.38Å; R158-D184 PolarHBondContact NH2-OD1 3.44Å; R158-D184 IonicContact NH2-OD2 2.76Å; R158-D184 PolarHBondContact NH2-OD2 3.2Å |
| 159 | I | 94.4 | Very high | 83.7 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 99.6 | 179 | -52.6 | 160.3 | 0 | 0 | 0 | 109.1 | R140 W143 R144 L147 F175 F176 V177 | R140-I159 HydrophobicContact CB-CG2 4.38Å; R140-I159 HydrophobicContact CG-CB 4.24Å; R140-I159 HydrophobicContact CG-CD1 3.93Å; R140-I159 HydrophobicContact CG-CG2 3.97Å; R140-I159 PolarHBondContact NH2-O 3.36Å; R140-I159 WeakPolarHBondContact O-CD1 3.46Å; W143-I159 HydrophobicContact CB-CD1 4.03Å; W143-I159 HydrophobicContact CB-CG1 4.08Å; W143-I159 HydrophobicContact CB-CG2 4.07Å; W143-I159 HydrophobicContact CG-CG2 4.39Å; R144-I159 HydrophobicContact CB-CD1 3.88Å; R144-I159 HydrophobicContact CG-CD1 4.47Å; L147-I159 HydrophobicContact CD1-CD1 4.24Å; L147-I159 HydrophobicContact CD1-CG1 3.97Å; I159-F175 HydrophobicContact CG2-CB 3.97Å; I159-F176 CarbonylContact C-O 3.6Å; I159-F176 WeakPolarHBondContact CA-O 3.35Å; I159-V177 HydrophobicContact CG1-CG2 4.05Å |
| 160 | T | 93.9 | Very high | 83.4 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 155.3 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | C162 F175 F176 V178 D184 | T160-C162 WeakPolarHBondContact OG1-CB 3.5Å; T160-C162 PolarHBondContact OG1-N 3.1Å; T160-C162 PolarHBondContact OG1-SG 3.37Å; T160-C162 VanDerWaalsContact OG1-SG 3.41Å; T160-F175 VanDerWaalsContact O-CA 3.3Å; T160-F175 WeakPolarHBondContact O-CA 3.44Å; T160-F176 HydrophobicContact CG2-CD1 4.13Å; T160-F176 HydrophobicContact CG2-CD2 3.55Å; T160-F176 HydrophobicContact CG2-CE1 4Å; T160-F176 HydrophobicContact CG2-CE2 3.41Å; T160-F176 VanDerWaalsContact CG2-CE2 3.41Å; T160-F176 HydrophobicContact CG2-CG 3.93Å; T160-F176 HydrophobicContact CG2-CZ 3.64Å; T160-F176 WeakPolarHBondContact CG2-O 3.48Å; T160-F176 PolarHBondContact N-O 2.75Å; T160-F176 PolarHBondContact O-N 3.11Å; T160-V178 HydrophobicContact CG2-CG1 3.92Å; T160-V178 HydrophobicContact CG2-CG2 4Å; T160-D184 VanDerWaalsContact CB-OD1 3.26Å; T160-D184 WeakPolarHBondContact CB-OD1 3.49Å; T160-D184 VanDerWaalsContact OG1-CG 3.32Å; T160-D184 PolarHBondContact OG1-OD1 3.33Å |
| 161 | A | 94 | Very high | 83.4 | Confident | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | trans | -108 | 11.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G163 K164 E165 F175 | A161-G163 PolarHBondContact O-N 3.3Å; A161-G163 VanDerWaalsContact O-N 3.08Å; A161-K164 WeakPolarHBondContact O-CA 3.43Å; A161-K164 WeakPolarHBondContact O-CB 3.08Å; A161-K164 PolarHBondContact O-N 3.03Å; A161-E165 VanDerWaalsContact CB-CD 3.45Å; A161-E165 HydrophobicContact CB-CG 4.27Å; A161-E165 VanDerWaalsContact CB-OE1 3.27Å; A161-E165 WeakPolarHBondContact CB-OE1 3.47Å; A161-E165 PolarHBondContact O-N 3.02Å; A161-F175 HydrophobicContact CB-CD1 3.88Å; A161-F175 HydrophobicContact CB-CE1 3.76Å | ||
| 162 | C | 90.8 | Very high | 83.7 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.5 | -33.3 | -178.9 | -85.2 | 0 | 0 | 0 | 0 | 114.6 | T160 K164 E165 N166 V169 F176 D184 F187 | T160-C162 WeakPolarHBondContact OG1-CB 3.5Å; T160-C162 PolarHBondContact OG1-N 3.1Å; T160-C162 PolarHBondContact OG1-SG 3.37Å; T160-C162 VanDerWaalsContact OG1-SG 3.41Å; C162-K164 PolarHBondContact O-N 3.22Å; C162-E165 PolarHBondContact O-N 2.84Å; C162-N166 WeakPolarHBondContact O-CB 3.33Å; C162-N166 PolarHBondContact O-N 2.98Å; C162-V169 HydrophobicContact CB-CG1 4.36Å; C162-V169 HydrophobicContact CB-CG2 4.38Å; C162-F176 HydrophobicContact CB-CE1 4.09Å; C162-F176 HydrophobicContact CB-CZ 4.01Å; C162-D184 VanDerWaalsContact SG-CB 3.56Å; C162-D184 VanDerWaalsContact SG-CG 3.55Å; C162-D184 PolarHBondContact SG-OD1 2.83Å; C162-F187 HydrophobicContact CB-CD2 4.33Å |
| 163 | G | 87.7 | Confident | 84.3 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.8 | -23.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A161 | A161-G163 PolarHBondContact O-N 3.3Å; A161-G163 VanDerWaalsContact O-N 3.08Å |
| 164 | K | 89.4 | Confident | 85.5 | Confident | 147 Ų | 147 | 59.8 Ų | 59.8 | 64% | 0.639 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -92 | -38.2 | 173.1 | -173.2 | -168.2 | 173.9 | -161.5 | 0 | 112.4 | A161 C162 P174 | A161-K164 WeakPolarHBondContact O-CA 3.43Å; A161-K164 WeakPolarHBondContact O-CB 3.08Å; A161-K164 PolarHBondContact O-N 3.03Å; C162-K164 PolarHBondContact O-N 3.22Å; K164-P174 HydrophobicContact CB-CB 4.16Å; K164-P174 WeakPolarHBondContact CB-O 3.19Å; K164-P174 PolarHBondContact N-O 3.06Å |
| 165 | E | 88.1 | Confident | 86.8 | Confident | 138 Ų | 138 | 56.8 Ų | 56.8 | 65% | 0.645 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -95.8 | -29.1 | -166.4 | -70.6 | 164.5 | -174.9 | 0 | 0 | 113.8 | A161 C162 | A161-E165 VanDerWaalsContact CB-CD 3.45Å; A161-E165 HydrophobicContact CB-CG 4.27Å; A161-E165 VanDerWaalsContact CB-OE1 3.27Å; A161-E165 WeakPolarHBondContact CB-OE1 3.47Å; A161-E165 PolarHBondContact O-N 3.02Å; C162-E165 PolarHBondContact O-N 2.84Å |
| 166 | N | 83 | Confident | 87.5 | Confident | 35 Ų | 35 | 50.1 Ų | 50.1 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | trans | -112.1 | 112.1 | 179.7 | -178.9 | -6.7 | 0 | 0 | 0 | 110.2 | C162 L168 V169 | C162-N166 WeakPolarHBondContact O-CB 3.33Å; C162-N166 PolarHBondContact O-N 2.98Å; N166-L168 PolarHBondContact O-N 2.87Å; N166-L168 VanDerWaalsContact O-N 3.11Å; N166-L168 VanDerWaalsContact OD1-CB 3.31Å; N166-L168 WeakPolarHBondContact OD1-CB 3.05Å; N166-L168 PolarHBondContact OD1-N 2.85Å; N166-V169 HydrophobicContact CB-CG2 3.91Å; N166-V169 PolarHBondContact O-N 2.85Å | ||
| 167 | Q | 82.5 | Confident | 87.7 | Confident | 171 Ų | 171 | 47.9 Ų | 47.9 | 80% | 0.799 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -60.5 | -23.3 | -179.7 | -62.8 | -173.4 | 12.6 | 0 | 0 | 113.3 | V169 N170 | Q167-V169 PolarHBondContact O-N 2.91Å; Q167-N170 WeakPolarHBondContact O-CB 3.31Å; Q167-N170 PolarHBondContact O-N 3.34Å; Q167-N170 PolarHBondContact O-ND2 2.95Å |
| 168 | L | 80.8 | Confident | 87.8 | Confident | 72 Ų | 72 | 47.1 Ų | 47.1 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -70.7 | -11 | 174 | -56.6 | 176.4 | 0 | 0 | 0 | 113.3 | N166 A191 Q197 | N166-L168 PolarHBondContact O-N 2.87Å; N166-L168 VanDerWaalsContact O-N 3.11Å; N166-L168 VanDerWaalsContact OD1-CB 3.31Å; N166-L168 WeakPolarHBondContact OD1-CB 3.05Å; N166-L168 PolarHBondContact OD1-N 2.85Å; L168-A191 HydrophobicContact CB-CB 3.72Å; L168-Q197 WeakPolarHBondContact O-CB 3.39Å |
| 169 | V | 80 | Confident | 87.8 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -110.1 | 14.1 | -177.5 | -162.6 | 0 | 0 | 0 | 0 | 111.5 | C162 N166 Q167 K171 Y172 F176 F187 | C162-V169 HydrophobicContact CB-CG1 4.36Å; C162-V169 HydrophobicContact CB-CG2 4.38Å; N166-V169 HydrophobicContact CB-CG2 3.91Å; N166-V169 PolarHBondContact O-N 2.85Å; Q167-V169 PolarHBondContact O-N 2.91Å; V169-K171 PolarHBondContact O-N 3.25Å; V169-Y172 HydrophobicContact CG1-CD2 3.95Å; V169-Y172 PolarHBondContact O-N 3.3Å; V169-Y172 VanDerWaalsContact O-N 3.08Å; V169-F176 HydrophobicContact CG1-CE1 3.8Å; V169-F176 HydrophobicContact CG1-CZ 3.86Å; V169-F187 HydrophobicContact CG2-CB 3.83Å; V169-F187 HydrophobicContact CG2-CG 4.42Å |
| 170 | N | 78.4 | Confident | 87.7 | Confident | 85 Ų | 85 | 46.9 Ų | 46.9 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 2.2 | -178.2 | 74.9 | 55.8 | 0 | 0 | 0 | 115.5 | Q167 | Q167-N170 WeakPolarHBondContact O-CB 3.31Å; Q167-N170 PolarHBondContact O-N 3.34Å; Q167-N170 PolarHBondContact O-ND2 2.95Å |
| 171 | K | 81.3 | Confident | 87.6 | Confident | 96 Ų | 96 | 48.8 Ų | 48.8 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 2.1 | 174.4 | -50.9 | -53.2 | 177.3 | -149.4 | 0 | 113.4 | V169 S196 Q197 R198 | V169-K171 PolarHBondContact O-N 3.25Å; K171-S196 WeakPolarHBondContact CG-O 3.37Å; K171-Q197 HydrophobicContact CG-CB 4.48Å; K171-R198 HydrophobicContact CB-CG 4.05Å; K171-R198 PolarHBondContact O-NE 3.38Å; K171-R198 VanDerWaalsContact O-NE 3.12Å; K171-R198 PolarHBondContact O-NH2 3.04Å |
| 172 | Y | 82 | Confident | 87.5 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -114.5 | 163.6 | 169.5 | -74.5 | -46.2 | 0 | 0 | 0 | 112.1 | V169 F176 R198 G199 F201 | V169-Y172 HydrophobicContact CG1-CD2 3.95Å; V169-Y172 PolarHBondContact O-N 3.3Å; V169-Y172 VanDerWaalsContact O-N 3.08Å; Y172-F176 HydrophobicContact CD2-CE1 4.18Å; Y172-F176 HydrophobicContact CD2-CZ 4.18Å; Y172-F176 HydrophobicContact CG-CD1 4.41Å; Y172-F176 HydrophobicContact CG-CE1 4.41Å; Y172-R198 HydrophobicContact CE1-CG 3.98Å; Y172-R198 HydrophobicContact CE2-CB 4.35Å; Y172-R198 HydrophobicContact CE2-CG 4.2Å; Y172-R198 VanDerWaalsContact OH-C 3.23Å; Y172-R198 WeakPolarHBondContact OH-CA 3.44Å; Y172-R198 VanDerWaalsContact OH-CB 3.27Å; Y172-R198 WeakPolarHBondContact OH-CB 3.36Å; Y172-R198 PolarHBondContact OH-O 3.49Å; Y172-G199 WeakPolarHBondContact CE2-O 3.5Å; Y172-G199 PolarHBondContact OH-O 3.01Å; Y172-F201 HydrophobicContact CD1-CD1 4.19Å; Y172-F201 AromaticContact CD1-CE1 3.89Å; Y172-F201 HydrophobicContact CD1-CE1 3.89Å; Y172-F201 HydrophobicContact CD1-CZ 4.4Å; Y172-F201 AromaticContact CE1-CD1 3.52Å; Y172-F201 HydrophobicContact CE1-CD1 3.52Å; Y172-F201 AromaticContact CE1-CE1 3.22Å; Y172-F201 HydrophobicContact CE1-CE1 3.22Å; Y172-F201 HydrophobicContact CE1-CZ 4.09Å; Y172-F201 HydrophobicContact CE2-CD1 4.22Å; Y172-F201 AromaticContact CZ-CD1 3.52Å; Y172-F201 AromaticContact CZ-CE1 3.71Å |
| 173 | P | 83.5 | Confident | 87.4 | Confident | 43 Ų | 43 | 51.7 Ų | 51.7 | 28% | 0.279 | 27% | 0.266 | S | S | . | . | trans | -60.1 | 159.1 | 173 | -18.7 | 32.3 | 0 | 0 | 0 | 111.1 | W143 F175 | W143-P173 HydrophobicContact CZ2-CG 4.4Å; P173-F175 PolarHBondContact O-N 2.94Å | ||
| 174 | P | 90 | Very high | 87.5 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -50.8 | -31.2 | -177.9 | -29.6 | 34.9 | 0 | 0 | 0 | 114.7 | D138 K164 | D138-P174 HydrophobicContact CB-CG 4.39Å; D138-P174 WeakPolarHBondContact OD1-CD 3.48Å; K164-P174 HydrophobicContact CB-CB 4.16Å; K164-P174 WeakPolarHBondContact CB-O 3.19Å; K164-P174 PolarHBondContact N-O 3.06Å |
| 175 | F | 92.5 | Very high | 87.5 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 16% | 0.158 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -126 | 150.3 | 170.1 | -56.6 | -86.8 | 0 | 0 | 0 | 109.7 | D138 R140 W143 I159 T160 A161 P173 | D138-F175 WeakPolarHBondContact O-CD2 3.38Å; D138-F175 WeakPolarHBondContact O-CE2 3.49Å; R140-F175 HydrophobicContact CB-CD1 4.05Å; R140-F175 HydrophobicContact CB-CE1 4.17Å; R140-F175 HydrophobicContact CB-CG 4.26Å; R140-F175 HydrophobicContact CB-CZ 4.49Å; W143-F175 PolarHBondContact NE1-O 2.9Å; I159-F175 HydrophobicContact CG2-CB 3.97Å; T160-F175 VanDerWaalsContact O-CA 3.3Å; T160-F175 WeakPolarHBondContact O-CA 3.44Å; A161-F175 HydrophobicContact CB-CD1 3.88Å; A161-F175 HydrophobicContact CB-CE1 3.76Å; P173-F175 PolarHBondContact O-N 2.94Å |
| 176 | F | 91.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 173 | 170.2 | 58.1 | -89.9 | 0 | 0 | 0 | 110.6 | W143 I159 T160 C162 V169 Y172 V178 F187 F201 | W143-F176 HydrophobicContact CH2-CB 4.46Å; W143-F176 HydrophobicContact CZ2-CB 4.15Å; I159-F176 CarbonylContact C-O 3.6Å; I159-F176 WeakPolarHBondContact CA-O 3.35Å; T160-F176 HydrophobicContact CG2-CD1 4.13Å; T160-F176 HydrophobicContact CG2-CD2 3.55Å; T160-F176 HydrophobicContact CG2-CE1 4Å; T160-F176 HydrophobicContact CG2-CE2 3.41Å; T160-F176 VanDerWaalsContact CG2-CE2 3.41Å; T160-F176 HydrophobicContact CG2-CG 3.93Å; T160-F176 HydrophobicContact CG2-CZ 3.64Å; T160-F176 WeakPolarHBondContact CG2-O 3.48Å; T160-F176 PolarHBondContact N-O 2.75Å; T160-F176 PolarHBondContact O-N 3.11Å; C162-F176 HydrophobicContact CB-CE1 4.09Å; C162-F176 HydrophobicContact CB-CZ 4.01Å; V169-F176 HydrophobicContact CG1-CE1 3.8Å; V169-F176 HydrophobicContact CG1-CZ 3.86Å; Y172-F176 HydrophobicContact CD2-CE1 4.18Å; Y172-F176 HydrophobicContact CD2-CZ 4.18Å; Y172-F176 HydrophobicContact CG-CD1 4.41Å; Y172-F176 HydrophobicContact CG-CE1 4.41Å; F176-V178 HydrophobicContact CD2-CG1 3.79Å; F176-V178 HydrophobicContact CE2-CG1 3.57Å; F176-F187 HydrophobicContact CE2-CE1 4.32Å; F176-F187 HydrophobicContact CE2-CE2 4.25Å; F176-F187 AromaticContact CE2-CZ 3.84Å; F176-F187 HydrophobicContact CE2-CZ 3.84Å; F176-F187 HydrophobicContact CZ-CE1 4.32Å; F176-F187 HydrophobicContact CZ-CE2 4.34Å; F176-F187 HydrophobicContact CZ-CZ 4.12Å; F176-F201 HydrophobicContact CB-CD2 4.33Å; F176-F201 HydrophobicContact CD2-CB 3.74Å; F176-F201 HydrophobicContact CD2-CG 4.41Å; F176-F201 HydrophobicContact CE2-CB 4.25Å |
| 177 | V | 92.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.8 | -173.4 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | W143 L147 W157 R158 I159 F201 W202 | W143-V177 HydrophobicContact CB-CG2 4.03Å; W143-V177 HydrophobicContact CD2-CG2 4.05Å; W143-V177 HydrophobicContact CE3-CB 4.37Å; W143-V177 HydrophobicContact CE3-CG2 3.56Å; W143-V177 HydrophobicContact CG-CG2 4.28Å; W143-V177 HydrophobicContact CZ3-CG2 4.33Å; L147-V177 HydrophobicContact CD1-CG1 4.23Å; L147-V177 HydrophobicContact CD1-CG2 3.89Å; L147-V177 HydrophobicContact CD2-CG1 4.14Å; L147-V177 HydrophobicContact CG-CG2 4.28Å; W157-V177 HydrophobicContact CB-CG1 3.77Å; W157-V177 HydrophobicContact CE3-CG1 4.18Å; W157-V177 HydrophobicContact CG-CG1 4.36Å; R158-V177 WeakPolarHBondContact O-CA 3.41Å; I159-V177 HydrophobicContact CG1-CG2 4.05Å; V177-F201 WeakPolarHBondContact O-CB 3.44Å; V177-W202 HydrophobicContact CB-CB 3.9Å; V177-W202 HydrophobicContact CB-CD2 4.16Å; V177-W202 HydrophobicContact CB-CE3 3.76Å; V177-W202 HydrophobicContact CB-CG 4.28Å; V177-W202 HydrophobicContact CG1-CB 3.64Å; V177-W202 HydrophobicContact CG1-CD2 3.83Å; V177-W202 HydrophobicContact CG1-CE3 3.9Å; V177-W202 HydrophobicContact CG1-CG 3.77Å; V177-W202 HydrophobicContact CG2-CE3 4.05Å; V177-W202 HydrophobicContact CG2-CZ3 4.41Å; V177-W202 WeakPolarHBondContact O-CB 3.41Å; V177-W202 PolarHBondContact O-N 3.01Å |
| 178 | V | 93.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 163 | 179.5 | -63.4 | 0 | 0 | 0 | 0 | 110.1 | R158 T160 F176 F187 | R158-V178 HydrophobicContact CG-CG2 3.72Å; R158-V178 PolarHBondContact N-O 3.36Å; R158-V178 PolarHBondContact O-N 3.12Å; T160-V178 HydrophobicContact CG2-CG1 3.92Å; T160-V178 HydrophobicContact CG2-CG2 4Å; F176-V178 HydrophobicContact CD2-CG1 3.79Å; F176-V178 HydrophobicContact CE2-CG1 3.57Å; V178-F187 HydrophobicContact CG1-CE2 4.12Å; V178-F187 HydrophobicContact CG1-CZ 3.91Å |
| 179 | P | 94 | Very high | 87.6 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 147.3 | 174.3 | -22.2 | 32.6 | 0 | 0 | 0 | 111.9 | W157 S181 W182 F232 S235 V236 | W157-P179 HydrophobicContact CE3-CG 4.49Å; W157-P179 HydrophobicContact CH2-CG 4.4Å; W157-P179 HydrophobicContact CZ3-CB 4.26Å; W157-P179 HydrophobicContact CZ3-CG 3.77Å; P179-S181 PolarHBondContact O-N 3.41Å; P179-W182 HydrophobicContact CB-CB 4.29Å; P179-W182 HydrophobicContact CG-CB 4.48Å; P179-W182 WeakPolarHBondContact O-CB 3.32Å; P179-W182 PolarHBondContact O-N 3.14Å; P179-F232 HydrophobicContact CG-CE2 4.44Å; P179-S235 WeakPolarHBondContact CB-O 3.18Å; P179-V236 HydrophobicContact CG-CG2 3.77Å |
| 180 | L | 92.7 | Very high | 87.8 | Confident | 73 Ų | 73 | 36.9 Ų | 36.9 | 38% | 0.382 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -44.3 | -175.3 | 178.3 | 61.9 | 0 | 0 | 0 | 112.7 | H155 H156 R158 W182 F239 | H155-L180 WeakPolarHBondContact O-CD2 3.15Å; H156-L180 PolarHBondContact O-N 2.96Å; R158-L180 HydrophobicContact CB-CD1 3.97Å; R158-L180 WeakPolarHBondContact CD-O 3.31Å; L180-W182 VanDerWaalsContact C-N 3.33Å; L180-W182 PolarHBondContact O-N 2.82Å; L180-F239 HydrophobicContact CB-CE1 4.44Å; L180-F239 HydrophobicContact CB-CE2 3.97Å; L180-F239 HydrophobicContact CB-CZ 3.88Å; L180-F239 HydrophobicContact CD2-CE1 4.27Å; L180-F239 HydrophobicContact CD2-CZ 4.18Å; L180-F239 HydrophobicContact CG-CZ 4.34Å |
| 181 | S | 92 | Very high | 88 | Confident | 41 Ų | 41 | 32.9 Ų | 32.9 | 29% | 0.287 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -7.2 | -179 | 64.8 | 0 | 0 | 0 | 0 | 114.8 | P179 P183 S235 E238 | P179-S181 PolarHBondContact O-N 3.41Å; S181-P183 VanDerWaalsContact O-CD 3.23Å; S181-P183 WeakPolarHBondContact O-CD 3.12Å; S181-S235 WeakPolarHBondContact OG-CA 3.4Å; S181-S235 VanDerWaalsContact OG-CB 3.24Å; S181-S235 WeakPolarHBondContact OG-CB 3.23Å; S181-S235 PolarHBondContact OG-OG 2.9Å; S181-E238 WeakPolarHBondContact CB-OE2 3.2Å; S181-E238 PolarHBondContact OG-OE2 2.74Å |
| 182 | W | 91.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | trans | -69 | 119.7 | 173.8 | -177.6 | -58.3 | 0 | 0 | 0 | 109.3 | R158 P179 L180 I186 F187 W194 P200 F232 | R158-W182 VanDerWaalsContact CZ-O 3.22Å; R158-W182 PolarHBondContact NE-O 3.01Å; R158-W182 PolarHBondContact NH2-O 2.84Å; P179-W182 HydrophobicContact CB-CB 4.29Å; P179-W182 HydrophobicContact CG-CB 4.48Å; P179-W182 WeakPolarHBondContact O-CB 3.32Å; P179-W182 PolarHBondContact O-N 3.14Å; L180-W182 VanDerWaalsContact C-N 3.33Å; L180-W182 PolarHBondContact O-N 2.82Å; W182-I186 HydrophobicContact CZ2-CB 4.13Å; W182-I186 HydrophobicContact CZ2-CG2 3.59Å; W182-F187 AromaticContact CD1-CE2 3.87Å; W182-F187 HydrophobicContact CZ2-CZ 4.3Å; W182-F187 AromaticContact NE1-CD2 3.91Å; W182-F187 AromaticContact NE1-CE2 3.44Å; W182-F187 AromaticContact NE1-CZ 3.83Å; W182-W194 HydrophobicContact CH2-CH2 4.11Å; W182-W194 HydrophobicContact CH2-CZ2 4.02Å; W182-W194 AromaticContact CZ2-CH2 3.86Å; W182-W194 HydrophobicContact CZ2-CH2 3.86Å; W182-W194 HydrophobicContact CZ2-CZ2 4.23Å; W182-P200 HydrophobicContact CE3-CG 4.41Å; W182-P200 HydrophobicContact CH2-CG 3.32Å; W182-P200 HydrophobicContact CZ2-CG 4.38Å; W182-P200 HydrophobicContact CZ3-CB 4.44Å; W182-P200 HydrophobicContact CZ3-CG 3.3Å; W182-F232 HydrophobicContact CE3-CB 4.12Å; W182-F232 AromaticContact CE3-CD2 3.73Å; W182-F232 HydrophobicContact CE3-CD2 3.73Å; W182-F232 HydrophobicContact CE3-CG 4.23Å; W182-F232 HydrophobicContact CH2-CB 4.03Å; W182-F232 HydrophobicContact CH2-CG 4.4Å; W182-F232 HydrophobicContact CZ3-CB 3.33Å; W182-F232 HydrophobicContact CZ3-CD1 4.43Å; W182-F232 AromaticContact CZ3-CD2 3.38Å; W182-F232 HydrophobicContact CZ3-CD2 3.38Å; W182-F232 HydrophobicContact CZ3-CE2 4.25Å; W182-F232 AromaticContact CZ3-CG 3.48Å; W182-F232 HydrophobicContact CZ3-CG 3.48Å; W182-F232 VanDerWaalsContact CZ3-CG 3.48Å | ||
| 183 | P | 89 | Confident | 88.6 | Confident | 68 Ų | 68 | 33.1 Ų | 33.1 | 44% | 0.442 | 22% | 0.222 | S | C | . | . | trans | -86.7 | 139.7 | 178.2 | 33.5 | -32.7 | 0 | 0 | 0 | 112.9 | S181 G185 I186 | S181-P183 VanDerWaalsContact O-CD 3.23Å; S181-P183 WeakPolarHBondContact O-CD 3.12Å; P183-G185 PolarHBondContact O-N 3.41Å; P183-G185 VanDerWaalsContact O-N 3.13Å; P183-I186 HydrophobicContact CG-CD1 3.83Å; P183-I186 HydrophobicContact CG-CG1 4.02Å; P183-I186 PolarHBondContact O-N 2.99Å; P183-I186 VanDerWaalsContact O-N 3.16Å | ||
| 184 | D | 90 | Very high | 88.8 | Confident | 55 Ų | 55 | 31.3 Ų | 31.3 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -27.2 | -176.8 | -75.1 | -41.7 | 0 | 0 | 0 | 114 | R158 T160 C162 I186 F187 | R158-D184 IonicContact CZ-OD1 2.64Å; R158-D184 IonicContact CZ-OD2 3.53Å; R158-D184 VanDerWaalsContact NH1-CG 3.35Å; R158-D184 IonicContact NH1-OD1 3.68Å; R158-D184 PolarHBondContact NH1-OD1 2.93Å; R158-D184 IonicContact NH1-OD2 3.4Å; R158-D184 PolarHBondContact NH1-OD2 3.29Å; R158-D184 IonicContact NH2-OD1 3.38Å; R158-D184 PolarHBondContact NH2-OD1 3.44Å; R158-D184 IonicContact NH2-OD2 2.76Å; R158-D184 PolarHBondContact NH2-OD2 3.2Å; T160-D184 VanDerWaalsContact CB-OD1 3.26Å; T160-D184 WeakPolarHBondContact CB-OD1 3.49Å; T160-D184 VanDerWaalsContact OG1-CG 3.32Å; T160-D184 PolarHBondContact OG1-OD1 3.33Å; C162-D184 VanDerWaalsContact SG-CB 3.56Å; C162-D184 VanDerWaalsContact SG-CG 3.55Å; C162-D184 PolarHBondContact SG-OD1 2.83Å; D184-I186 PolarHBondContact O-N 3.22Å; D184-I186 VanDerWaalsContact O-N 3.15Å; D184-F187 WeakPolarHBondContact O-CB 3.28Å; D184-F187 PolarHBondContact O-N 3Å |
| 185 | G | 87.8 | Confident | 88.6 | Confident | 54 Ų | 54 | 29.3 Ų | 29.3 | 56% | 0.557 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -58 | -25.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P183 F187 G188 T189 | P183-G185 PolarHBondContact O-N 3.41Å; P183-G185 VanDerWaalsContact O-N 3.13Å; G185-F187 VanDerWaalsContact C-N 3.29Å; G185-F187 PolarHBondContact O-N 2.78Å; G185-G188 PolarHBondContact O-N 3.42Å; G185-G188 VanDerWaalsContact O-N 3.07Å; G185-T189 PolarHBondContact O-N 2.91Å |
| 186 | I | 86.9 | Confident | 88 | Confident | 23 Ų | 23 | 30.1 Ų | 30.1 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.9 | -32.9 | 174.6 | -63.8 | 173.6 | 0 | 0 | 0 | 110.8 | W182 P183 D184 G188 T189 A190 W194 V231 | W182-I186 HydrophobicContact CZ2-CB 4.13Å; W182-I186 HydrophobicContact CZ2-CG2 3.59Å; P183-I186 HydrophobicContact CG-CD1 3.83Å; P183-I186 HydrophobicContact CG-CG1 4.02Å; P183-I186 PolarHBondContact O-N 2.99Å; P183-I186 VanDerWaalsContact O-N 3.16Å; D184-I186 PolarHBondContact O-N 3.22Å; D184-I186 VanDerWaalsContact O-N 3.15Å; I186-G188 PolarHBondContact O-N 2.98Å; I186-T189 PolarHBondContact O-N 3.43Å; I186-T189 VanDerWaalsContact O-N 3.13Å; I186-T189 PolarHBondContact O-OG1 2.86Å; I186-A190 HydrophobicContact CG2-CB 3.87Å; I186-A190 WeakPolarHBondContact O-CB 3.23Å; I186-A190 PolarHBondContact O-N 2.98Å; I186-W194 HydrophobicContact CG2-CH2 4.35Å; I186-V231 HydrophobicContact CD1-CB 4.43Å; I186-V231 HydrophobicContact CD1-CG1 3.69Å |
| 187 | F | 85 | Confident | 87.8 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.1 | -27.3 | 174 | -66.8 | -72 | 0 | 0 | 0 | 112 | C162 V169 F176 V178 W182 D184 G185 A191 W194 | C162-F187 HydrophobicContact CB-CD2 4.33Å; V169-F187 HydrophobicContact CG2-CB 3.83Å; V169-F187 HydrophobicContact CG2-CG 4.42Å; F176-F187 HydrophobicContact CE2-CE1 4.32Å; F176-F187 HydrophobicContact CE2-CE2 4.25Å; F176-F187 AromaticContact CE2-CZ 3.84Å; F176-F187 HydrophobicContact CE2-CZ 3.84Å; F176-F187 HydrophobicContact CZ-CE1 4.32Å; F176-F187 HydrophobicContact CZ-CE2 4.34Å; F176-F187 HydrophobicContact CZ-CZ 4.12Å; V178-F187 HydrophobicContact CG1-CE2 4.12Å; V178-F187 HydrophobicContact CG1-CZ 3.91Å; W182-F187 AromaticContact CD1-CE2 3.87Å; W182-F187 HydrophobicContact CZ2-CZ 4.3Å; W182-F187 AromaticContact NE1-CD2 3.91Å; W182-F187 AromaticContact NE1-CE2 3.44Å; W182-F187 AromaticContact NE1-CZ 3.83Å; D184-F187 WeakPolarHBondContact O-CB 3.28Å; D184-F187 PolarHBondContact O-N 3Å; G185-F187 VanDerWaalsContact C-N 3.29Å; G185-F187 PolarHBondContact O-N 2.78Å; F187-A191 WeakPolarHBondContact O-CB 3.31Å; F187-A191 PolarHBondContact O-N 2.7Å; F187-W194 HydrophobicContact CD1-CH2 4.28Å; F187-W194 AromaticContact CD1-CZ3 3.83Å; F187-W194 HydrophobicContact CD1-CZ3 3.83Å; F187-W194 HydrophobicContact CE1-CH2 4.34Å; F187-W194 HydrophobicContact CE1-CZ3 4.17Å |
| 188 | G | 81.3 | Confident | 87.3 | Confident | 37 Ų | 37 | 35.7 Ų | 35.7 | 38% | 0.381 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G185 I186 | G185-G188 PolarHBondContact O-N 3.42Å; G185-G188 VanDerWaalsContact O-N 3.07Å; I186-G188 PolarHBondContact O-N 2.98Å |
| 189 | T | 84.1 | Confident | 87.1 | Confident | 96 Ų | 96 | 35.7 Ų | 35.7 | 59% | 0.589 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -101.9 | -13.2 | -173.7 | 59.4 | 0 | 0 | 0 | 0 | 114.9 | G185 I186 Q228 | G185-T189 PolarHBondContact O-N 2.91Å; I186-T189 PolarHBondContact O-N 3.43Å; I186-T189 VanDerWaalsContact O-N 3.13Å; I186-T189 PolarHBondContact O-OG1 2.86Å; T189-Q228 PolarHBondContact O-NE2 3.33Å; T189-Q228 VanDerWaalsContact O-NE2 3.13Å |
| 190 | A | 84.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -116.1 | -16.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I186 A192 N193 W194 Q228 | I186-A190 HydrophobicContact CG2-CB 3.87Å; I186-A190 WeakPolarHBondContact O-CB 3.23Å; I186-A190 PolarHBondContact O-N 2.98Å; A190-A192 VanDerWaalsContact C-N 3.25Å; A190-A192 PolarHBondContact O-N 3.49Å; A190-N193 WeakPolarHBondContact O-CB 3.41Å; A190-N193 PolarHBondContact O-N 3.34Å; A190-W194 HydrophobicContact CB-CE3 4.13Å; A190-W194 HydrophobicContact CB-CH2 3.34Å; A190-W194 HydrophobicContact CB-CZ2 3.86Å; A190-W194 HydrophobicContact CB-CZ3 3.5Å; A190-W194 VanDerWaalsContact O-CE3 3.23Å; A190-W194 PolarHBondContact O-N 3.29Å; A190-Q228 VanDerWaalsContact CB-CD 3.46Å; A190-Q228 HydrophobicContact CB-CG 4.22Å |
| 191 | A | 83.7 | Confident | 86.7 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -39.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L168 F187 N193 Q197 | L168-A191 HydrophobicContact CB-CB 3.72Å; F187-A191 WeakPolarHBondContact O-CB 3.31Å; F187-A191 PolarHBondContact O-N 2.7Å; A191-N193 PolarHBondContact O-N 3.3Å; A191-Q197 WeakPolarHBondContact O-CA 3.06Å; A191-Q197 WeakPolarHBondContact O-CG 3.39Å |
| 192 | A | 85.7 | Confident | 86.6 | Confident | 75 Ų | 75 | 31.1 Ų | 31.1 | 62% | 0.62 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A190 | A190-A192 VanDerWaalsContact C-N 3.25Å; A190-A192 PolarHBondContact O-N 3.49Å |
| 193 | N | 88.9 | Confident | 86.5 | Confident | 46 Ų | 46 | 32.7 Ų | 32.7 | 25% | 0.246 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -26 | -176 | -60.5 | -19 | 0 | 0 | 0 | 112.9 | A190 A191 F218 D219 T225 Q228 | A190-N193 WeakPolarHBondContact O-CB 3.41Å; A190-N193 PolarHBondContact O-N 3.34Å; A191-N193 PolarHBondContact O-N 3.3Å; N193-F218 HydrophobicContact CB-CD1 3.78Å; N193-F218 HydrophobicContact CB-CE1 4.28Å; N193-F218 CarbonylContact O-C 3.38Å; N193-F218 WeakPolarHBondContact O-CA 3.42Å; N193-D219 PolarHBondContact O-N 2.84Å; N193-T225 HydrophobicContact CB-CG2 3.63Å; N193-Q228 PolarHBondContact ND2-NE2 3.02Å; N193-Q228 PolarHBondContact ND2-OE1 2.94Å |
| 194 | W | 87.7 | Confident | 86.5 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -82.7 | 137.4 | 178 | -69 | -61.1 | 0 | 0 | 0 | 111.9 | W182 I186 F187 A190 S196 Q197 P200 A216 P217 F218 | W182-W194 HydrophobicContact CH2-CH2 4.11Å; W182-W194 HydrophobicContact CH2-CZ2 4.02Å; W182-W194 AromaticContact CZ2-CH2 3.86Å; W182-W194 HydrophobicContact CZ2-CH2 3.86Å; W182-W194 HydrophobicContact CZ2-CZ2 4.23Å; I186-W194 HydrophobicContact CG2-CH2 4.35Å; F187-W194 HydrophobicContact CD1-CH2 4.28Å; F187-W194 AromaticContact CD1-CZ3 3.83Å; F187-W194 HydrophobicContact CD1-CZ3 3.83Å; F187-W194 HydrophobicContact CE1-CH2 4.34Å; F187-W194 HydrophobicContact CE1-CZ3 4.17Å; A190-W194 HydrophobicContact CB-CE3 4.13Å; A190-W194 HydrophobicContact CB-CH2 3.34Å; A190-W194 HydrophobicContact CB-CZ2 3.86Å; A190-W194 HydrophobicContact CB-CZ3 3.5Å; A190-W194 VanDerWaalsContact O-CE3 3.23Å; A190-W194 PolarHBondContact O-N 3.29Å; W194-S196 PolarHBondContact O-N 2.93Å; W194-Q197 WeakPolarHBondContact O-CA 3.44Å; W194-Q197 PolarHBondContact O-N 3.12Å; W194-P200 VanDerWaalsContact CZ2-CD 3.5Å; W194-P200 HydrophobicContact CZ2-CG 4.46Å; W194-A216 HydrophobicContact CB-CB 4.45Å; W194-P217 WeakPolarHBondContact CA-O 3.25Å; W194-F218 AromaticContact CD1-CD1 3.58Å; W194-F218 AromaticContact CD1-CE1 3.49Å; W194-F218 VanDerWaalsContact CD1-CE1 3.49Å; W194-F218 AromaticContact CD1-CZ 4Å; W194-F218 HydrophobicContact CD2-CE1 4.36Å; W194-F218 AromaticContact CE2-CE1 3.72Å; W194-F218 HydrophobicContact CG-CD1 4.25Å; W194-F218 HydrophobicContact CG-CE1 4.21Å; W194-F218 HydrophobicContact CZ2-CE1 4.36Å; W194-F218 AromaticContact NE1-CD1 3.74Å; W194-F218 AromaticContact NE1-CE1 3.11Å; W194-F218 AromaticContact NE1-CZ 3.34Å; W194-F218 VanDerWaalsContact NE1-CZ 3.34Å |
| 195 | S | 85.5 | Confident | 86.2 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -54.5 | 125.3 | 176.9 | -48.8 | 0 | 0 | 0 | 0 | 111.3 | Q197 A216 P217 D219 A324 | S195-Q197 PolarHBondContact O-N 3.25Å; S195-A216 WeakPolarHBondContact O-CB 3.48Å; S195-P217 PolarHBondContact N-O 3.37Å; S195-P217 PolarHBondContact OG-O 2.9Å; S195-D219 WeakPolarHBondContact CA-OD1 3.3Å; S195-D219 WeakPolarHBondContact CA-OD2 3.16Å; S195-D219 WeakPolarHBondContact CB-OD1 3.21Å; S195-D219 PolarHBondContact OG-OD1 3.32Å; S195-A324 VanDerWaalsContact CB-O 3.22Å; S195-A324 WeakPolarHBondContact CB-O 3.47Å; S195-A324 WeakPolarHBondContact OG-CA 3.44Å; S195-A324 PolarHBondContact OG-O 3.17Å |
| 196 | S | 80.6 | Confident | 86.1 | Confident | 53 Ų | 53 | 28.9 Ų | 28.9 | 37% | 0.371 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | 59 | 25.5 | -175.1 | -42 | 0 | 0 | 0 | 0 | 115.1 | K171 W194 R198 P326 | K171-S196 WeakPolarHBondContact CG-O 3.37Å; W194-S196 PolarHBondContact O-N 2.93Å; S196-R198 VanDerWaalsContact C-N 3.28Å; S196-R198 PolarHBondContact O-N 3.35Å; S196-P326 WeakPolarHBondContact OG-CB 3.44Å |
| 197 | Q | 86 | Confident | 86 | Confident | 62 Ų | 62 | 34 Ų | 34 | 29% | 0.29 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | 59.9 | 32.3 | 178.8 | -60.6 | 163.5 | -20.4 | 0 | 0 | 114.1 | L168 K171 A191 W194 S195 | L168-Q197 WeakPolarHBondContact O-CB 3.39Å; K171-Q197 HydrophobicContact CG-CB 4.48Å; A191-Q197 WeakPolarHBondContact O-CA 3.06Å; A191-Q197 WeakPolarHBondContact O-CG 3.39Å; W194-Q197 WeakPolarHBondContact O-CA 3.44Å; W194-Q197 PolarHBondContact O-N 3.12Å; S195-Q197 PolarHBondContact O-N 3.25Å |
| 198 | R | 83.7 | Confident | 86.1 | Confident | 54 Ų | 54 | 35.8 Ų | 35.8 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | trans | -112.8 | 71.1 | -170 | -84.9 | -179.2 | 161.7 | -160.6 | -9 | 113.5 | K171 Y172 S196 A216 Y331 | K171-R198 HydrophobicContact CB-CG 4.05Å; K171-R198 PolarHBondContact O-NE 3.38Å; K171-R198 VanDerWaalsContact O-NE 3.12Å; K171-R198 PolarHBondContact O-NH2 3.04Å; Y172-R198 HydrophobicContact CE1-CG 3.98Å; Y172-R198 HydrophobicContact CE2-CB 4.35Å; Y172-R198 HydrophobicContact CE2-CG 4.2Å; Y172-R198 VanDerWaalsContact OH-C 3.23Å; Y172-R198 WeakPolarHBondContact OH-CA 3.44Å; Y172-R198 VanDerWaalsContact OH-CB 3.27Å; Y172-R198 WeakPolarHBondContact OH-CB 3.36Å; Y172-R198 PolarHBondContact OH-O 3.49Å; S196-R198 VanDerWaalsContact C-N 3.28Å; S196-R198 PolarHBondContact O-N 3.35Å; R198-A216 HydrophobicContact CB-CB 3.82Å; R198-A216 WeakPolarHBondContact O-CB 3.34Å; R198-A216 PolarHBondContact O-N 3.21Å; R198-Y331 PolarHBondContact NH2-OH 3.47Å | ||
| 199 | G | 87.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | trans | -62.1 | 168.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y172 | Y172-G199 WeakPolarHBondContact CE2-O 3.5Å; Y172-G199 PolarHBondContact OH-O 3.01Å | ||
| 200 | P | 89.9 | Confident | 86.6 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | trans | -63.5 | 140.3 | -174.1 | 26.5 | -35.3 | 0 | 0 | 0 | 113.2 | W182 W194 R214 A215 F232 | W182-P200 HydrophobicContact CE3-CG 4.41Å; W182-P200 HydrophobicContact CH2-CG 3.32Å; W182-P200 HydrophobicContact CZ2-CG 4.38Å; W182-P200 HydrophobicContact CZ3-CB 4.44Å; W182-P200 HydrophobicContact CZ3-CG 3.3Å; W194-P200 VanDerWaalsContact CZ2-CD 3.5Å; W194-P200 HydrophobicContact CZ2-CG 4.46Å; P200-R214 VanDerWaalsContact CA-O 3.3Å; P200-R214 WeakPolarHBondContact CA-O 3.19Å; P200-A215 HydrophobicContact CB-CB 4.02Å; P200-F232 HydrophobicContact CB-CD1 3.97Å; P200-F232 HydrophobicContact CB-CD2 4.32Å; P200-F232 HydrophobicContact CB-CE1 3.44Å; P200-F232 VanDerWaalsContact CB-CE1 3.44Å; P200-F232 HydrophobicContact CB-CE2 3.83Å; P200-F232 HydrophobicContact CB-CG 4.38Å; P200-F232 HydrophobicContact CB-CZ 3.37Å; P200-F232 HydrophobicContact CG-CD1 3.86Å; P200-F232 HydrophobicContact CG-CD2 4.15Å; P200-F232 HydrophobicContact CG-CE1 3.88Å; P200-F232 HydrophobicContact CG-CE2 4.16Å; P200-F232 HydrophobicContact CG-CG 3.99Å; P200-F232 HydrophobicContact CG-CZ 4.05Å | ||
| 201 | F | 88.9 | Confident | 86.9 | Confident | 18 Ų | 18 | 30.4 Ų | 30.4 | 8% | 0.079 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 163.1 | 167.9 | 81.3 | -79.5 | 0 | 0 | 0 | 112.3 | W143 Y172 F176 V177 L213 R214 | W143-F201 HydrophobicContact CH2-CE2 4.16Å; Y172-F201 HydrophobicContact CD1-CD1 4.19Å; Y172-F201 AromaticContact CD1-CE1 3.89Å; Y172-F201 HydrophobicContact CD1-CE1 3.89Å; Y172-F201 HydrophobicContact CD1-CZ 4.4Å; Y172-F201 AromaticContact CE1-CD1 3.52Å; Y172-F201 HydrophobicContact CE1-CD1 3.52Å; Y172-F201 AromaticContact CE1-CE1 3.22Å; Y172-F201 HydrophobicContact CE1-CE1 3.22Å; Y172-F201 HydrophobicContact CE1-CZ 4.09Å; Y172-F201 HydrophobicContact CE2-CD1 4.22Å; Y172-F201 AromaticContact CZ-CD1 3.52Å; Y172-F201 AromaticContact CZ-CE1 3.71Å; F176-F201 HydrophobicContact CB-CD2 4.33Å; F176-F201 HydrophobicContact CD2-CB 3.74Å; F176-F201 HydrophobicContact CD2-CG 4.41Å; F176-F201 HydrophobicContact CE2-CB 4.25Å; V177-F201 WeakPolarHBondContact O-CB 3.44Å; F201-L213 CarbonylContact O-C 3.53Å; F201-L213 VanDerWaalsContact O-CA 3.3Å; F201-L213 WeakPolarHBondContact O-CA 3.33Å; F201-L213 WeakPolarHBondContact O-CB 3.49Å; F201-R214 HydrophobicContact CD1-CG 3.75Å; F201-R214 VanDerWaalsContact CE1-CD 3.4Å; F201-R214 HydrophobicContact CE1-CG 3.35Å; F201-R214 HydrophobicContact CZ-CG 3.87Å; F201-R214 PolarHBondContact N-O 2.9Å; F201-R214 PolarHBondContact O-N 3.21Å |
| 202 | W | 90.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 139.1 | -177.4 | 173 | 97.5 | 0 | 0 | 0 | 112.7 | W143 E146 L147 T150 W157 V177 W204 S205 L213 | W143-W202 HydrophobicContact CE3-CE3 4.5Å; W143-W202 HydrophobicContact CE3-CZ3 4.32Å; W143-W202 HydrophobicContact CZ3-CE3 4.33Å; W143-W202 HydrophobicContact CZ3-CZ3 4.38Å; E146-W202 HydrophobicContact CG-CH2 3.97Å; E146-W202 HydrophobicContact CG-CZ3 4.1Å; L147-W202 HydrophobicContact CD2-CD2 4.39Å; L147-W202 HydrophobicContact CD2-CH2 3.83Å; L147-W202 HydrophobicContact CD2-CZ2 3.66Å; L147-W202 HydrophobicContact CD2-CZ3 4.28Å; L147-W202 HydrophobicContact CG-CH2 4.12Å; L147-W202 HydrophobicContact CG-CZ2 4.45Å; L147-W202 HydrophobicContact CG-CZ3 4.38Å; T150-W202 HydrophobicContact CG2-CH2 4.22Å; T150-W202 HydrophobicContact CG2-CZ2 4.26Å; T150-W202 WeakPolarHBondContact OG1-CZ2 3.49Å; W157-W202 AromaticContact CD2-CD1 3.53Å; W157-W202 HydrophobicContact CD2-CG 4.22Å; W157-W202 AromaticContact CD2-NE1 3.99Å; W157-W202 AromaticContact CE2-CD1 3.65Å; W157-W202 AromaticContact CE2-NE1 3.94Å; W157-W202 HydrophobicContact CE3-CB 3.89Å; W157-W202 AromaticContact CE3-CD1 3.56Å; W157-W202 AromaticContact CE3-CG 3.95Å; W157-W202 HydrophobicContact CE3-CG 3.95Å; W157-W202 AromaticContact CH2-CD1 3.92Å; W157-W202 AromaticContact CZ2-CD1 3.88Å; W157-W202 HydrophobicContact CZ3-CB 3.98Å; W157-W202 AromaticContact CZ3-CD1 3.74Å; W157-W202 HydrophobicContact CZ3-CG 4.23Å; V177-W202 HydrophobicContact CB-CB 3.9Å; V177-W202 HydrophobicContact CB-CD2 4.16Å; V177-W202 HydrophobicContact CB-CE3 3.76Å; V177-W202 HydrophobicContact CB-CG 4.28Å; V177-W202 HydrophobicContact CG1-CB 3.64Å; V177-W202 HydrophobicContact CG1-CD2 3.83Å; V177-W202 HydrophobicContact CG1-CE3 3.9Å; V177-W202 HydrophobicContact CG1-CG 3.77Å; V177-W202 HydrophobicContact CG2-CE3 4.05Å; V177-W202 HydrophobicContact CG2-CZ3 4.41Å; V177-W202 WeakPolarHBondContact O-CB 3.41Å; V177-W202 PolarHBondContact O-N 3.01Å; W202-W204 VanDerWaalsContact NE1-C 3.26Å; W202-W204 PolarHBondContact NE1-O 2.77Å; W202-S205 PolarHBondContact NE1-OG 2.82Å; W202-L213 HydrophobicContact CB-CD2 4.42Å |
| 203 | C | 88.4 | Confident | 87.5 | Confident | 34 Ų | 34 | 28.1 Ų | 28.1 | 23% | 0.23 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -37 | 173.5 | -64.7 | 0 | 0 | 0 | 0 | 113 | L212 R214 | C203-L212 WeakPolarHBondContact CA-O 3.44Å; C203-L212 HydrophobicContact CB-CG 4.34Å; C203-L212 WeakPolarHBondContact CB-O 3.29Å; C203-L212 PolarHBondContact N-O 3.47Å; C203-R214 VanDerWaalsContact SG-CD 3.53Å; C203-R214 WeakPolarHBondContact SG-CG 3.35Å |
| 204 | W | 88.3 | Confident | 87.5 | Confident | 48 Ų | 48 | 28.4 Ų | 28.4 | 18% | 0.182 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169 | 159.2 | -170.6 | -168.2 | 69.4 | 0 | 0 | 0 | 111.8 | T150 W202 H206 A211 L212 | T150-W204 HydrophobicContact CG2-CG 4.29Å; W202-W204 VanDerWaalsContact NE1-C 3.26Å; W202-W204 PolarHBondContact NE1-O 2.77Å; W204-H206 HydrophobicContact CH2-CB 4.16Å; W204-H206 AromaticContact CH2-CD2 3.51Å; W204-H206 HydrophobicContact CZ3-CB 3.79Å; W204-H206 AromaticContact CZ3-CD2 3.78Å; W204-A211 CarbonylContact O-C 3.59Å; W204-A211 WeakPolarHBondContact O-CA 3.21Å; W204-L212 HydrophobicContact CB-CB 4.21Å; W204-L212 PolarHBondContact N-O 3.08Å; W204-L212 VanDerWaalsContact N-O 3.16Å; W204-L212 PolarHBondContact O-N 2.97Å |
| 205 | S | 85.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 147.4 | 165.1 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | S152 W157 W202 C210 | S152-S205 WeakPolarHBondContact OG-CB 3.23Å; S152-S205 PolarHBondContact OG-OG 3.29Å; W157-S205 PolarHBondContact NE1-OG 3.09Å; W202-S205 PolarHBondContact NE1-OG 2.82Å; S205-C210 CarbonylContact C-O 3.51Å; S205-C210 WeakPolarHBondContact CA-O 3.4Å |
| 206 | H | 85 | Confident | 87.6 | Confident | 44 Ų | 44 | 29 Ų | 29 | 20% | 0.204 | 15% | 0.153 | C | C | . | . | trans | -87.7 | 154.4 | 168 | -164.8 | -96.6 | 0 | 0 | 0 | 110.5 | W204 N208 G209 C210 E312 | W204-H206 HydrophobicContact CH2-CB 4.16Å; W204-H206 AromaticContact CH2-CD2 3.51Å; W204-H206 HydrophobicContact CZ3-CB 3.79Å; W204-H206 AromaticContact CZ3-CD2 3.78Å; H206-N208 WeakPolarHBondContact CB-OD1 3.35Å; H206-N208 PolarHBondContact ND1-N 2.75Å; H206-N208 PolarHBondContact ND1-ND2 2.89Å; H206-N208 VanDerWaalsContact ND1-ND2 3.18Å; H206-N208 PolarHBondContact ND1-OD1 3.34Å; H206-N208 PolarHBondContact O-N 2.67Å; H206-N208 VanDerWaalsContact O-N 3.11Å; H206-G209 PolarHBondContact O-N 3.13Å; H206-C210 PolarHBondContact N-O 3.25Å; H206-E312 IonicContact CE1-OE2 3.52Å; H206-E312 PolarHBondContact CE1-OE2 2.84Å; H206-E312 IonicContact ND1-OE2 3.19Å; H206-E312 PolarHBondContact ND1-OE2 2.9Å; H206-E312 IonicContact NE2-OE2 3.88Å; H206-E312 PolarHBondContact NE2-OE2 2.77Å | ||
| 207 | L | 83.8 | Confident | 87.9 | Confident | 130 Ų | 130 | 27.3 Ų | 27.3 | 68% | 0.681 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.7 | 179.5 | -62 | 177.4 | 0 | 0 | 0 | 113.6 | G209 | L207-G209 VanDerWaalsContact C-N 3.28Š|
| 208 | N | 86.9 | Confident | 88.1 | Confident | 40 Ų | 40 | 25.9 Ų | 25.9 | 21% | 0.214 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 2.1 | 173.2 | 70.7 | 9.1 | 0 | 0 | 0 | 113.5 | H206 C210 L311 E312 | H206-N208 WeakPolarHBondContact CB-OD1 3.35Å; H206-N208 PolarHBondContact ND1-N 2.75Å; H206-N208 PolarHBondContact ND1-ND2 2.89Å; H206-N208 VanDerWaalsContact ND1-ND2 3.18Å; H206-N208 PolarHBondContact ND1-OD1 3.34Å; H206-N208 PolarHBondContact O-N 2.67Å; H206-N208 VanDerWaalsContact O-N 3.11Å; N208-C210 VanDerWaalsContact OD1-CB 3.25Å; N208-C210 WeakPolarHBondContact OD1-CB 2.99Å; N208-C210 PolarHBondContact OD1-N 2.9Å; N208-C210 PolarHBondContact OD1-SG 2.88Å; N208-L311 PolarHBondContact ND2-O 2.93Å; N208-E312 PolarHBondContact ND2-OE2 2.78Å |
| 209 | G | 87.3 | Confident | 88.2 | Confident | 19 Ų | 19 | 27.7 Ų | 27.7 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 89.4 | -7.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | H206 L207 | H206-G209 PolarHBondContact O-N 3.13Å; L207-G209 VanDerWaalsContact C-N 3.28Å |
| 210 | C | 90 | Very high | 88.2 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -70.6 | 153.6 | 171.4 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | S205 H206 N208 H240 L311 K315 M316 | S205-C210 CarbonylContact C-O 3.51Å; S205-C210 WeakPolarHBondContact CA-O 3.4Å; H206-C210 PolarHBondContact N-O 3.25Å; N208-C210 VanDerWaalsContact OD1-CB 3.25Å; N208-C210 WeakPolarHBondContact OD1-CB 2.99Å; N208-C210 PolarHBondContact OD1-N 2.9Å; N208-C210 PolarHBondContact OD1-SG 2.88Å; C210-H240 PolarHBondContact SG-NE2 2.9Å; C210-L311 HydrophobicContact CB-CD2 3.86Å; C210-K315 VanDerWaalsContact SG-CA 3.55Å; C210-M316 PolarHBondContact SG-N 2.56Å | ||
| 211 | A | 89.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | W157 W204 L213 S317 V318 | W157-A211 HydrophobicContact CH2-CB 3.76Å; W157-A211 HydrophobicContact CZ2-CB 3.34Å; W204-A211 CarbonylContact O-C 3.59Å; W204-A211 WeakPolarHBondContact O-CA 3.21Å; A211-L213 HydrophobicContact CB-CD1 4.1Å; A211-S317 PolarHBondContact N-OG 3.34Å; A211-S317 CarbonylContact O-C 3.32Å; A211-S317 WeakPolarHBondContact O-CA 3.46Å; A211-S317 WeakPolarHBondContact O-CB 3.21Å; A211-V318 PolarHBondContact O-N 2.9Å |
| 212 | L | 91.2 | Very high | 88.4 | Confident | 29 Ų | 29 | 39.1 Ų | 39.1 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 123.4 | 167.2 | -175.7 | 64 | 0 | 0 | 0 | 108.6 | C203 W204 L311 V318 I320 | C203-L212 WeakPolarHBondContact CA-O 3.44Å; C203-L212 HydrophobicContact CB-CG 4.34Å; C203-L212 WeakPolarHBondContact CB-O 3.29Å; C203-L212 PolarHBondContact N-O 3.47Å; W204-L212 HydrophobicContact CB-CB 4.21Å; W204-L212 PolarHBondContact N-O 3.08Å; W204-L212 VanDerWaalsContact N-O 3.16Å; W204-L212 PolarHBondContact O-N 2.97Å; L212-L311 HydrophobicContact CB-CD1 4.45Å; L212-V318 WeakPolarHBondContact CA-O 3.41Å; L212-V318 HydrophobicContact CD1-CB 4.05Å; L212-V318 HydrophobicContact CD1-CG1 4.12Å; L212-I320 HydrophobicContact CD1-CD1 3.88Å; L212-I320 HydrophobicContact CD1-CG1 3.97Å; L212-I320 HydrophobicContact CD2-CD1 4.5Å |
| 213 | L | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 169.4 | 177.4 | -57.6 | 109.5 | 0 | 0 | 0 | 109.8 | W157 F201 W202 A211 F232 V236 V318 V319 I320 | W157-L213 HydrophobicContact CH2-CD1 4.39Å; W157-L213 HydrophobicContact CH2-CD2 3.89Å; W157-L213 HydrophobicContact CH2-CG 4.44Å; W157-L213 HydrophobicContact CZ3-CD2 3.79Å; F201-L213 CarbonylContact O-C 3.53Å; F201-L213 VanDerWaalsContact O-CA 3.3Å; F201-L213 WeakPolarHBondContact O-CA 3.33Å; F201-L213 WeakPolarHBondContact O-CB 3.49Å; W202-L213 HydrophobicContact CB-CD2 4.42Å; A211-L213 HydrophobicContact CB-CD1 4.1Å; L213-F232 HydrophobicContact CB-CZ 4.39Å; L213-F232 HydrophobicContact CD2-CE2 3.9Å; L213-F232 HydrophobicContact CD2-CZ 3.95Å; L213-V236 HydrophobicContact CD1-CG1 4.43Å; L213-V236 HydrophobicContact CD1-CG2 4.44Å; L213-V236 HydrophobicContact CD2-CG2 4.39Å; L213-V318 PolarHBondContact N-O 3.33Å; L213-V319 HydrophobicContact CB-CG1 4.39Å; L213-V319 HydrophobicContact CB-CG2 4.26Å; L213-V319 HydrophobicContact CD1-CG2 4.43Å; L213-V319 WeakPolarHBondContact O-CA 3.22Å; L213-I320 PolarHBondContact O-N 3.01Å |
| 214 | R | 89.5 | Confident | 88.7 | Confident | 52 Ų | 52 | 47.1 Ų | 47.1 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 146.2 | 172.2 | 63.8 | -178.8 | -75 | -165.1 | 3 | 111.9 | P200 F201 C203 I320 Y331 | P200-R214 VanDerWaalsContact CA-O 3.3Å; P200-R214 WeakPolarHBondContact CA-O 3.19Å; F201-R214 HydrophobicContact CD1-CG 3.75Å; F201-R214 VanDerWaalsContact CE1-CD 3.4Å; F201-R214 HydrophobicContact CE1-CG 3.35Å; F201-R214 HydrophobicContact CZ-CG 3.87Å; F201-R214 PolarHBondContact N-O 2.9Å; F201-R214 PolarHBondContact O-N 3.21Å; C203-R214 VanDerWaalsContact SG-CD 3.53Å; C203-R214 WeakPolarHBondContact SG-CG 3.35Å; R214-I320 VanDerWaalsContact CA-O 3.27Å; R214-I320 WeakPolarHBondContact CA-O 3.17Å; R214-Y331 VanDerWaalsContact NH1-CD1 3.25Å |
| 215 | A | 87.4 | Confident | 88.9 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 156.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P200 W229 V319 I320 R321 G322 | P200-A215 HydrophobicContact CB-CB 4.02Å; A215-W229 HydrophobicContact CB-CH2 4.27Å; A215-W229 HydrophobicContact CB-CZ3 4.17Å; A215-V319 HydrophobicContact CB-CG1 3.86Å; A215-I320 PolarHBondContact N-O 3.14Å; A215-R321 WeakPolarHBondContact O-CA 3.32Å; A215-G322 PolarHBondContact O-N 3.25Å |
| 216 | A | 86.7 | Confident | 89.3 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 10% | 0.099 | 27% | 0.271 | C | S | . | . | trans | -78.9 | 157.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | W194 S195 R198 | W194-A216 HydrophobicContact CB-CB 4.45Å; S195-A216 WeakPolarHBondContact O-CB 3.48Å; R198-A216 HydrophobicContact CB-CB 3.82Å; R198-A216 WeakPolarHBondContact O-CB 3.34Å; R198-A216 PolarHBondContact O-N 3.21Å | ||
| 217 | P | 87.8 | Confident | 89.6 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | trans | -74.2 | 179.8 | 168 | 35 | -31.9 | 0 | 0 | 0 | 109.4 | W194 S195 R321 G322 A324 | W194-P217 WeakPolarHBondContact CA-O 3.25Å; S195-P217 PolarHBondContact N-O 3.37Å; S195-P217 PolarHBondContact OG-O 2.9Å; P217-R321 HydrophobicContact CB-CG 4.1Å; P217-G322 WeakPolarHBondContact CD-O 3.5Å; P217-G322 WeakPolarHBondContact CG-O 3.47Å; P217-A324 HydrophobicContact CG-CB 3.7Å | ||
| 218 | F | 89.2 | Confident | 89.9 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -85.6 | 145.9 | 167.5 | -58.9 | -81.6 | 0 | 0 | 0 | 110.2 | N193 W194 V220 T225 Q228 W229 | N193-F218 HydrophobicContact CB-CD1 3.78Å; N193-F218 HydrophobicContact CB-CE1 4.28Å; N193-F218 CarbonylContact O-C 3.38Å; N193-F218 WeakPolarHBondContact O-CA 3.42Å; W194-F218 AromaticContact CD1-CD1 3.58Å; W194-F218 AromaticContact CD1-CE1 3.49Å; W194-F218 VanDerWaalsContact CD1-CE1 3.49Å; W194-F218 AromaticContact CD1-CZ 4Å; W194-F218 HydrophobicContact CD2-CE1 4.36Å; W194-F218 AromaticContact CE2-CE1 3.72Å; W194-F218 HydrophobicContact CG-CD1 4.25Å; W194-F218 HydrophobicContact CG-CE1 4.21Å; W194-F218 HydrophobicContact CZ2-CE1 4.36Å; W194-F218 AromaticContact NE1-CD1 3.74Å; W194-F218 AromaticContact NE1-CE1 3.11Å; W194-F218 AromaticContact NE1-CZ 3.34Å; W194-F218 VanDerWaalsContact NE1-CZ 3.34Å; F218-V220 WeakPolarHBondContact CB-O 3.45Å; F218-T225 HydrophobicContact CB-CG2 4.08Å; F218-T225 HydrophobicContact CD1-CG2 3.37Å; F218-T225 HydrophobicContact CD2-CG2 4.48Å; F218-T225 HydrophobicContact CE1-CG2 3.79Å; F218-T225 WeakPolarHBondContact CE2-O 3.42Å; F218-T225 HydrophobicContact CG-CG2 3.74Å; F218-T225 VanDerWaalsContact CZ-O 3.32Å; F218-T225 WeakPolarHBondContact CZ-O 3.32Å; F218-Q228 HydrophobicContact CZ-CB 4.4Å; F218-W229 HydrophobicContact CE2-CB 3.93Å; F218-W229 HydrophobicContact CE2-CD2 4.39Å; F218-W229 AromaticContact CE2-CE3 3.84Å; F218-W229 HydrophobicContact CE2-CE3 3.84Å; F218-W229 HydrophobicContact CE2-CG 4.45Å; F218-W229 HydrophobicContact CZ-CB 4.18Å; F218-W229 HydrophobicContact CZ-CE3 4.19Å |
| 219 | D | 86.8 | Confident | 90.2 | Very high | 93 Ų | 93 | 49.5 Ų | 49.5 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -72.8 | -21.6 | 173.3 | -71.9 | -32.5 | 0 | 0 | 0 | 112 | N193 S195 | N193-D219 PolarHBondContact O-N 2.84Å; S195-D219 WeakPolarHBondContact CA-OD1 3.3Å; S195-D219 WeakPolarHBondContact CA-OD2 3.16Å; S195-D219 WeakPolarHBondContact CB-OD1 3.21Å; S195-D219 PolarHBondContact OG-OD1 3.32Å |
| 220 | V | 87.9 | Confident | 90.5 | Very high | 100 Ų | 100 | 52.9 Ų | 52.9 | 61% | 0.606 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -136.7 | 127.7 | 175.9 | -178.2 | 0 | 0 | 0 | 0 | 110 | F218 T225 | F218-V220 WeakPolarHBondContact CB-O 3.45Å; V220-T225 PolarHBondContact O-OG1 3.4Å |
| 221 | D | 89.7 | Confident | 90.6 | Very high | 121 Ų | 121 | 55.8 Ų | 55.8 | 65% | 0.647 | 28% | 0.282 | S | S | * | . | trans | -79.8 | 130.7 | 166 | -171.8 | 23 | 0 | 0 | 0 | 110.1 | R226 | D221-R226 VanDerWaalsContact OD1-CD 3.28Å; D221-R226 WeakPolarHBondContact OD1-CD 3.39Å; D221-R226 VanDerWaalsContact OD1-CG 3.23Å; D221-R226 WeakPolarHBondContact OD1-CG 3.46Å; D221-R226 IonicContact OD1-NE 3.83Å | ||
| 222 | S | 93.1 | Very high | 90.8 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 27% | 0.266 | 28% | 0.282 | S | S | . | . | trans | -156.2 | 170.4 | -173.6 | 70.2 | 0 | 0 | 0 | 0 | 109.8 | V224 T225 R226 | S222-V224 VanDerWaalsContact C-N 3.28Å; S222-V224 PolarHBondContact O-N 2.83Å; S222-V224 PolarHBondContact OG-N 3.45Å; S222-T225 PolarHBondContact N-OG1 3.48Å; S222-T225 PolarHBondContact O-OG1 3.09Å; S222-T225 PolarHBondContact OG-N 3.26Å; S222-T225 PolarHBondContact OG-OG1 2.76Å; S222-R226 WeakPolarHBondContact O-CB 3.2Å; S222-R226 VanDerWaalsContact O-CG 3.31Å; S222-R226 WeakPolarHBondContact O-CG 3.37Å; S222-R226 PolarHBondContact O-N 3.41Å; S222-R226 VanDerWaalsContact O-N 3.14Å; S222-R226 PolarHBondContact O-NE 3.28Å | ||
| 223 | E | 94.4 | Very high | 91 | Very high | 116 Ų | 116 | 56.1 Ų | 56.1 | 54% | 0.542 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.7 | -34.8 | 170.5 | -162.8 | -174.5 | 154.6 | 0 | 0 | 112.2 | K227 | E223-K227 HydrophobicContact CG-CD 4.4Å; E223-K227 WeakPolarHBondContact O-CB 3.25Å; E223-K227 WeakPolarHBondContact O-CG 3.34Å; E223-K227 PolarHBondContact O-N 2.98Å; E223-K227 WeakPolarHBondContact OE1-CE 3.37Å; E223-K227 IonicContact OE1-NZ 2.74Å; E223-K227 PolarHBondContact OE1-NZ 3.33Å |
| 224 | V | 91.6 | Very high | 91.2 | Very high | 86 Ų | 86 | 59.4 Ų | 59.4 | 52% | 0.521 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.2 | -48.8 | 179.4 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | S222 K227 Q228 | S222-V224 VanDerWaalsContact C-N 3.28Å; S222-V224 PolarHBondContact O-N 2.83Å; S222-V224 PolarHBondContact OG-N 3.45Å; V224-K227 PolarHBondContact O-N 2.86Å; V224-Q228 HydrophobicContact CG1-CG 4.49Å; V224-Q228 WeakPolarHBondContact O-CB 3.21Å; V224-Q228 VanDerWaalsContact O-CG 3.31Å; V224-Q228 WeakPolarHBondContact O-CG 3.31Å; V224-Q228 PolarHBondContact O-N 2.88Å |
| 225 | T | 92 | Very high | 91.4 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.3 | -35.7 | -179.7 | 47.2 | 0 | 0 | 0 | 0 | 112.2 | N193 F218 V220 S222 Q228 W229 | N193-T225 HydrophobicContact CB-CG2 3.63Å; F218-T225 HydrophobicContact CB-CG2 4.08Å; F218-T225 HydrophobicContact CD1-CG2 3.37Å; F218-T225 HydrophobicContact CD2-CG2 4.48Å; F218-T225 HydrophobicContact CE1-CG2 3.79Å; F218-T225 WeakPolarHBondContact CE2-O 3.42Å; F218-T225 HydrophobicContact CG-CG2 3.74Å; F218-T225 VanDerWaalsContact CZ-O 3.32Å; F218-T225 WeakPolarHBondContact CZ-O 3.32Å; V220-T225 PolarHBondContact O-OG1 3.4Å; S222-T225 PolarHBondContact N-OG1 3.48Å; S222-T225 PolarHBondContact O-OG1 3.09Å; S222-T225 PolarHBondContact OG-N 3.26Å; S222-T225 PolarHBondContact OG-OG1 2.76Å; T225-Q228 PolarHBondContact O-N 2.96Å; T225-W229 WeakPolarHBondContact O-CB 3.47Å; T225-W229 PolarHBondContact O-N 2.91Å |
| 226 | R | 93.3 | Very high | 91.7 | Very high | 148 Ų | 148 | 57.1 Ų | 57.1 | 56% | 0.558 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.5 | -37.7 | 171.4 | -70.5 | 177.9 | -64.3 | 158.6 | 1.2 | 113 | D221 S222 W229 H230 | D221-R226 VanDerWaalsContact OD1-CD 3.28Å; D221-R226 WeakPolarHBondContact OD1-CD 3.39Å; D221-R226 VanDerWaalsContact OD1-CG 3.23Å; D221-R226 WeakPolarHBondContact OD1-CG 3.46Å; D221-R226 IonicContact OD1-NE 3.83Å; S222-R226 WeakPolarHBondContact O-CB 3.2Å; S222-R226 VanDerWaalsContact O-CG 3.31Å; S222-R226 WeakPolarHBondContact O-CG 3.37Å; S222-R226 PolarHBondContact O-N 3.41Å; S222-R226 VanDerWaalsContact O-N 3.14Å; S222-R226 PolarHBondContact O-NE 3.28Å; R226-W229 PolarHBondContact O-N 3.41Å; R226-H230 WeakPolarHBondContact O-CB 3.47Å; R226-H230 PolarHBondContact O-N 3.21Å |
| 227 | K | 92.3 | Very high | 92.1 | Very high | 125 Ų | 125 | 57.1 Ų | 57.1 | 54% | 0.543 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 171.6 | -76.1 | 175.4 | -177.4 | 172.4 | 0 | 112.1 | E223 V224 W229 H230 V231 | E223-K227 HydrophobicContact CG-CD 4.4Å; E223-K227 WeakPolarHBondContact O-CB 3.25Å; E223-K227 WeakPolarHBondContact O-CG 3.34Å; E223-K227 PolarHBondContact O-N 2.98Å; E223-K227 WeakPolarHBondContact OE1-CE 3.37Å; E223-K227 IonicContact OE1-NZ 2.74Å; E223-K227 PolarHBondContact OE1-NZ 3.33Å; V224-K227 PolarHBondContact O-N 2.86Å; K227-W229 VanDerWaalsContact C-N 3.29Å; K227-W229 PolarHBondContact O-N 2.8Å; K227-H230 PolarHBondContact O-N 2.71Å; K227-H230 VanDerWaalsContact O-N 3.16Å; K227-V231 PolarHBondContact O-N 2.96Å; K227-V231 VanDerWaalsContact O-N 3.13Å |
| 228 | Q | 90.6 | Very high | 92.4 | Very high | 21 Ų | 21 | 61.7 Ų | 61.7 | 10% | 0.098 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.9 | -40 | 174.8 | -73.4 | 171.3 | -17.2 | 0 | 0 | 111.7 | T189 A190 N193 F218 V224 T225 | T189-Q228 PolarHBondContact O-NE2 3.33Å; T189-Q228 VanDerWaalsContact O-NE2 3.13Å; A190-Q228 VanDerWaalsContact CB-CD 3.46Å; A190-Q228 HydrophobicContact CB-CG 4.22Å; N193-Q228 PolarHBondContact ND2-NE2 3.02Å; N193-Q228 PolarHBondContact ND2-OE1 2.94Å; F218-Q228 HydrophobicContact CZ-CB 4.4Å; V224-Q228 HydrophobicContact CG1-CG 4.49Å; V224-Q228 WeakPolarHBondContact O-CB 3.21Å; V224-Q228 VanDerWaalsContact O-CG 3.31Å; V224-Q228 WeakPolarHBondContact O-CG 3.31Å; V224-Q228 PolarHBondContact O-N 2.88Å; T225-Q228 PolarHBondContact O-N 2.96Å |
| 229 | W | 92.4 | Very high | 92.2 | Very high | 23 Ų | 23 | 62.1 Ų | 62.1 | 9% | 0.087 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.4 | -39 | 173.2 | -168.5 | -95.6 | 0 | 0 | 0 | 113.2 | A215 F218 T225 R226 K227 V231 F232 E233 I248 V319 | A215-W229 HydrophobicContact CB-CH2 4.27Å; A215-W229 HydrophobicContact CB-CZ3 4.17Å; F218-W229 HydrophobicContact CE2-CB 3.93Å; F218-W229 HydrophobicContact CE2-CD2 4.39Å; F218-W229 AromaticContact CE2-CE3 3.84Å; F218-W229 HydrophobicContact CE2-CE3 3.84Å; F218-W229 HydrophobicContact CE2-CG 4.45Å; F218-W229 HydrophobicContact CZ-CB 4.18Å; F218-W229 HydrophobicContact CZ-CE3 4.19Å; T225-W229 WeakPolarHBondContact O-CB 3.47Å; T225-W229 PolarHBondContact O-N 2.91Å; R226-W229 PolarHBondContact O-N 3.41Å; K227-W229 VanDerWaalsContact C-N 3.29Å; K227-W229 PolarHBondContact O-N 2.8Å; W229-V231 VanDerWaalsContact C-N 3.29Å; W229-V231 PolarHBondContact O-N 3.13Å; W229-F232 HydrophobicContact CD2-CD1 4.17Å; W229-F232 HydrophobicContact CE3-CD1 4.03Å; W229-F232 AromaticContact CH2-CD1 3.73Å; W229-F232 HydrophobicContact CH2-CD1 3.73Å; W229-F232 AromaticContact CH2-CE1 3.63Å; W229-F232 HydrophobicContact CH2-CE1 3.63Å; W229-F232 AromaticContact CZ2-CD1 3.83Å; W229-F232 HydrophobicContact CZ2-CD1 3.83Å; W229-F232 AromaticContact CZ2-CE1 3.92Å; W229-F232 HydrophobicContact CZ2-CE1 3.92Å; W229-F232 AromaticContact CZ3-CD1 3.82Å; W229-F232 HydrophobicContact CZ3-CD1 3.82Å; W229-F232 HydrophobicContact CZ3-CE1 4.03Å; W229-F232 VanDerWaalsContact O-CB 3.23Å; W229-F232 WeakPolarHBondContact O-CB 3.05Å; W229-F232 PolarHBondContact O-N 2.76Å; W229-F232 VanDerWaalsContact O-N 3.09Å; W229-E233 PolarHBondContact NE1-OE1 2.9Å; W229-E233 PolarHBondContact O-N 3.04Å; W229-E233 VanDerWaalsContact O-N 3.12Å; W229-I248 HydrophobicContact CH2-CD1 4.32Å; W229-I248 HydrophobicContact CZ2-CD1 3.5Å; W229-I248 VanDerWaalsContact CZ2-CD1 3.5Å; W229-I248 HydrophobicContact CZ2-CG1 3.87Å; W229-V319 HydrophobicContact CH2-CG1 4.14Å |
| 230 | H | 93.5 | Very high | 92.4 | Very high | 89 Ų | 89 | 58.1 Ų | 58.1 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | 179.5 | -175.4 | 31.2 | 0 | 0 | 0 | 112.1 | R226 K227 F232 E233 V234 K245 | R226-H230 WeakPolarHBondContact O-CB 3.47Å; R226-H230 PolarHBondContact O-N 3.21Å; K227-H230 PolarHBondContact O-N 2.71Å; K227-H230 VanDerWaalsContact O-N 3.16Å; H230-F232 VanDerWaalsContact C-N 3.3Å; H230-F232 PolarHBondContact O-N 2.98Å; H230-E233 IonicContact ND1-OE2 3.67Å; H230-E233 PolarHBondContact O-N 2.91Å; H230-V234 VanDerWaalsContact CE1-CG2 3.45Å; H230-V234 WeakPolarHBondContact CE1-CG2 3.4Å; H230-V234 WeakPolarHBondContact O-CG2 3.49Å; H230-V234 PolarHBondContact O-N 3.3Å; H230-V234 VanDerWaalsContact O-N 3.07Å; H230-K245 PolarHBondContact ND1-NZ 3.41Å |
| 231 | V | 93 | Very high | 92.4 | Very high | 61 Ų | 61 | 57.5 Ų | 57.5 | 37% | 0.37 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 173.5 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | I186 K227 W229 V234 S235 | I186-V231 HydrophobicContact CD1-CB 4.43Å; I186-V231 HydrophobicContact CD1-CG1 3.69Å; K227-V231 PolarHBondContact O-N 2.96Å; K227-V231 VanDerWaalsContact O-N 3.13Å; W229-V231 VanDerWaalsContact C-N 3.29Å; W229-V231 PolarHBondContact O-N 3.13Å; V231-V234 PolarHBondContact O-N 3.49Å; V231-S235 PolarHBondContact O-N 3.11Å; V231-S235 PolarHBondContact O-OG 2.87Å |
| 232 | F | 93.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.1 | -50.9 | 172.7 | 176.8 | -151.4 | 0 | 0 | 0 | 112.3 | P179 W182 P200 L213 W229 H230 V234 S235 V236 V319 | P179-F232 HydrophobicContact CG-CE2 4.44Å; W182-F232 HydrophobicContact CE3-CB 4.12Å; W182-F232 AromaticContact CE3-CD2 3.73Å; W182-F232 HydrophobicContact CE3-CD2 3.73Å; W182-F232 HydrophobicContact CE3-CG 4.23Å; W182-F232 HydrophobicContact CH2-CB 4.03Å; W182-F232 HydrophobicContact CH2-CG 4.4Å; W182-F232 HydrophobicContact CZ3-CB 3.33Å; W182-F232 HydrophobicContact CZ3-CD1 4.43Å; W182-F232 AromaticContact CZ3-CD2 3.38Å; W182-F232 HydrophobicContact CZ3-CD2 3.38Å; W182-F232 HydrophobicContact CZ3-CE2 4.25Å; W182-F232 AromaticContact CZ3-CG 3.48Å; W182-F232 HydrophobicContact CZ3-CG 3.48Å; W182-F232 VanDerWaalsContact CZ3-CG 3.48Å; P200-F232 HydrophobicContact CB-CD1 3.97Å; P200-F232 HydrophobicContact CB-CD2 4.32Å; P200-F232 HydrophobicContact CB-CE1 3.44Å; P200-F232 VanDerWaalsContact CB-CE1 3.44Å; P200-F232 HydrophobicContact CB-CE2 3.83Å; P200-F232 HydrophobicContact CB-CG 4.38Å; P200-F232 HydrophobicContact CB-CZ 3.37Å; P200-F232 HydrophobicContact CG-CD1 3.86Å; P200-F232 HydrophobicContact CG-CD2 4.15Å; P200-F232 HydrophobicContact CG-CE1 3.88Å; P200-F232 HydrophobicContact CG-CE2 4.16Å; P200-F232 HydrophobicContact CG-CG 3.99Å; P200-F232 HydrophobicContact CG-CZ 4.05Å; L213-F232 HydrophobicContact CB-CZ 4.39Å; L213-F232 HydrophobicContact CD2-CE2 3.9Å; L213-F232 HydrophobicContact CD2-CZ 3.95Å; W229-F232 HydrophobicContact CD2-CD1 4.17Å; W229-F232 HydrophobicContact CE3-CD1 4.03Å; W229-F232 AromaticContact CH2-CD1 3.73Å; W229-F232 HydrophobicContact CH2-CD1 3.73Å; W229-F232 AromaticContact CH2-CE1 3.63Å; W229-F232 HydrophobicContact CH2-CE1 3.63Å; W229-F232 AromaticContact CZ2-CD1 3.83Å; W229-F232 HydrophobicContact CZ2-CD1 3.83Å; W229-F232 AromaticContact CZ2-CE1 3.92Å; W229-F232 HydrophobicContact CZ2-CE1 3.92Å; W229-F232 AromaticContact CZ3-CD1 3.82Å; W229-F232 HydrophobicContact CZ3-CD1 3.82Å; W229-F232 HydrophobicContact CZ3-CE1 4.03Å; W229-F232 VanDerWaalsContact O-CB 3.23Å; W229-F232 WeakPolarHBondContact O-CB 3.05Å; W229-F232 PolarHBondContact O-N 2.76Å; W229-F232 VanDerWaalsContact O-N 3.09Å; H230-F232 VanDerWaalsContact C-N 3.3Å; H230-F232 PolarHBondContact O-N 2.98Å; F232-V234 VanDerWaalsContact C-N 3.26Å; F232-V234 PolarHBondContact O-N 2.9Å; F232-S235 PolarHBondContact O-N 3.12Å; F232-V236 HydrophobicContact CD2-CG2 3.61Å; F232-V236 HydrophobicContact CE2-CG2 3.27Å; F232-V236 HydrophobicContact CZ-CG2 4.11Å; F232-V236 PolarHBondContact O-N 2.92Å; F232-V319 HydrophobicContact CE1-CG1 4.18Å; F232-V319 HydrophobicContact CE1-CG2 3.63Å; F232-V319 HydrophobicContact CZ-CG1 4.47Å; F232-V319 HydrophobicContact CZ-CG2 3.75Å |
| 233 | E | 95.2 | Very high | 92.5 | Very high | 36 Ų | 36 | 58.7 Ų | 58.7 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.7 | -39.6 | -177.6 | -66 | 176.6 | 162.4 | 0 | 0 | 111.8 | W229 H230 A237 K245 P246 | W229-E233 PolarHBondContact NE1-OE1 2.9Å; W229-E233 PolarHBondContact O-N 3.04Å; W229-E233 VanDerWaalsContact O-N 3.12Å; H230-E233 IonicContact ND1-OE2 3.67Å; H230-E233 PolarHBondContact O-N 2.91Å; E233-A237 WeakPolarHBondContact O-CB 3.4Å; E233-A237 PolarHBondContact O-N 3.16Å; E233-K245 HydrophobicContact CB-CD 4.07Å; E233-K245 HydrophobicContact CB-CG 4.13Å; E233-K245 WeakPolarHBondContact OE2-CD 3.43Å; E233-K245 WeakPolarHBondContact OE2-CE 3.45Å; E233-K245 IonicContact OE2-NZ 2.8Å; E233-K245 PolarHBondContact OE2-NZ 3.21Å; E233-P246 HydrophobicContact CG-CG 4.45Å |
| 234 | V | 95.3 | Very high | 92.5 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 42% | 0.418 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.8 | -51 | 175.7 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | H230 V231 F232 V236 A237 E238 | H230-V234 VanDerWaalsContact CE1-CG2 3.45Å; H230-V234 WeakPolarHBondContact CE1-CG2 3.4Å; H230-V234 WeakPolarHBondContact O-CG2 3.49Å; H230-V234 PolarHBondContact O-N 3.3Å; H230-V234 VanDerWaalsContact O-N 3.07Å; V231-V234 PolarHBondContact O-N 3.49Å; F232-V234 VanDerWaalsContact C-N 3.26Å; F232-V234 PolarHBondContact O-N 2.9Å; V234-V236 PolarHBondContact O-N 2.92Å; V234-A237 PolarHBondContact O-N 2.91Å; V234-E238 WeakPolarHBondContact O-CB 3.39Å; V234-E238 PolarHBondContact O-N 3.31Å |
| 235 | S | 94.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 57 Ų | 57 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -23.1 | 178.7 | -71 | 0 | 0 | 0 | 0 | 114.2 | P179 S181 V231 F232 F239 | P179-S235 WeakPolarHBondContact CB-O 3.18Å; S181-S235 WeakPolarHBondContact OG-CA 3.4Å; S181-S235 VanDerWaalsContact OG-CB 3.24Å; S181-S235 WeakPolarHBondContact OG-CB 3.23Å; S181-S235 PolarHBondContact OG-OG 2.9Å; V231-S235 PolarHBondContact O-N 3.11Å; V231-S235 PolarHBondContact O-OG 2.87Å; F232-S235 PolarHBondContact O-N 3.12Å; S235-F239 WeakPolarHBondContact O-CD2 3.42Å |
| 236 | V | 94.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -83.5 | -38.3 | 170.3 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | P179 L213 F232 V234 H240 P246 | P179-V236 HydrophobicContact CG-CG2 3.77Å; L213-V236 HydrophobicContact CD1-CG1 4.43Å; L213-V236 HydrophobicContact CD1-CG2 4.44Å; L213-V236 HydrophobicContact CD2-CG2 4.39Å; F232-V236 HydrophobicContact CD2-CG2 3.61Å; F232-V236 HydrophobicContact CE2-CG2 3.27Å; F232-V236 HydrophobicContact CZ-CG2 4.11Å; F232-V236 PolarHBondContact O-N 2.92Å; V234-V236 PolarHBondContact O-N 2.92Å; V236-H240 PolarHBondContact O-N 2.96Å; V236-P246 HydrophobicContact CB-CG 4.09Å; V236-P246 HydrophobicContact CG1-CB 4.04Å; V236-P246 HydrophobicContact CG1-CG 3.98Å |
| 237 | A | 94.4 | Very high | 92.9 | Very high | 12 Ų | 12 | 51.8 Ų | 51.8 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.7 | -38 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E233 V234 F239 H240 A243 K244 | E233-A237 WeakPolarHBondContact O-CB 3.4Å; E233-A237 PolarHBondContact O-N 3.16Å; V234-A237 PolarHBondContact O-N 2.91Å; A237-F239 PolarHBondContact O-N 2.74Å; A237-H240 WeakPolarHBondContact O-CB 3.43Å; A237-H240 PolarHBondContact O-N 3.05Å; A237-A243 WeakPolarHBondContact O-CA 3.16Å; A237-K244 WeakPolarHBondContact CA-O 3.47Å |
| 238 | E | 92.7 | Very high | 93 | Very high | 113 Ų | 113 | 48.4 Ų | 48.4 | 53% | 0.528 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -37.4 | 179.8 | -175.6 | -178.7 | 170.2 | 0 | 0 | 113.3 | S181 V234 | S181-E238 WeakPolarHBondContact CB-OE2 3.2Å; S181-E238 PolarHBondContact OG-OE2 2.74Å; V234-E238 WeakPolarHBondContact O-CB 3.39Å; V234-E238 PolarHBondContact O-N 3.31Å |
| 239 | F | 85.6 | Confident | 93 | Very high | 40 Ų | 40 | 48.1 Ų | 48.1 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 11.1 | -180 | -56.9 | -76 | 0 | 0 | 0 | 113.4 | H155 H156 L180 S235 A237 | H155-F239 WeakPolarHBondContact O-CD1 3.26Å; H155-F239 WeakPolarHBondContact O-CE1 3.37Å; H156-F239 HydrophobicContact CB-CB 3.77Å; H156-F239 HydrophobicContact CB-CD1 4.36Å; H156-F239 HydrophobicContact CB-CG 4.16Å; H156-F239 PolarHBondContact CE1-O 2.81Å; H156-F239 PolarHBondContact ND1-O 3.49Å; L180-F239 HydrophobicContact CB-CE1 4.44Å; L180-F239 HydrophobicContact CB-CE2 3.97Å; L180-F239 HydrophobicContact CB-CZ 3.88Å; L180-F239 HydrophobicContact CD2-CE1 4.27Å; L180-F239 HydrophobicContact CD2-CZ 4.18Å; L180-F239 HydrophobicContact CG-CZ 4.34Å; S235-F239 WeakPolarHBondContact O-CD2 3.42Å; A237-F239 PolarHBondContact O-N 2.74Å |
| 240 | H | 90.4 | Very high | 92.8 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -88.5 | 129 | 172.9 | -169.3 | -89.1 | 0 | 0 | 0 | 109.7 | C210 V236 A237 L242 A243 K315 | C210-H240 PolarHBondContact SG-NE2 2.9Å; V236-H240 PolarHBondContact O-N 2.96Å; A237-H240 WeakPolarHBondContact O-CB 3.43Å; A237-H240 PolarHBondContact O-N 3.05Å; H240-L242 PolarHBondContact ND1-N 3.37Å; H240-L242 PolarHBondContact O-N 2.76Å; H240-A243 PolarHBondContact O-N 2.87Å; H240-K315 PolarHBondContact CE1-O 3.5Å; H240-K315 PolarHBondContact NE2-O 3.29Å |
| 241 | P | 88.8 | Confident | 92.4 | Very high | 87 Ų | 87 | 48.1 Ų | 48.1 | 57% | 0.565 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -14 | -174.7 | -28.9 | 37.5 | 0 | 0 | 0 | 116.5 | ||
| 242 | L | 91.7 | Very high | 92 | Very high | 107 Ų | 107 | 47 Ų | 47 | 56% | 0.56 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | 17.6 | 176.5 | -59.6 | 176.8 | 0 | 0 | 0 | 113.3 | H240 K244 | H240-L242 PolarHBondContact ND1-N 3.37Å; H240-L242 PolarHBondContact O-N 2.76Å; L242-K244 HydrophobicContact CB-CG 4.07Å; L242-K244 PolarHBondContact O-N 3.32Å |
| 243 | A | 93.2 | Very high | 91.6 | Very high | 76 Ų | 76 | 47.8 Ų | 47.8 | 63% | 0.628 | 26% | 0.263 | S | S | * | . | trans | 50.6 | 25.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A237 H240 | A237-A243 WeakPolarHBondContact O-CA 3.16Å; H240-A243 PolarHBondContact O-N 2.87Å | ||
| 244 | K | 93.8 | Very high | 91.1 | Very high | 72 Ų | 72 | 52.5 Ų | 52.5 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -81 | 132.5 | -176.9 | -64.6 | -169.2 | -172.1 | -179.4 | 0 | 110.5 | A237 L242 A314 K315 M316 | A237-K244 WeakPolarHBondContact CA-O 3.47Å; L242-K244 HydrophobicContact CB-CG 4.07Å; L242-K244 PolarHBondContact O-N 3.32Å; K244-A314 PolarHBondContact NZ-O 3.28Å; K244-K315 WeakPolarHBondContact CD-O 3.47Å; K244-M316 HydrophobicContact CD-CG 3.58Å; K244-M316 HydrophobicContact CD-SD 4.34Å |
| 245 | K | 95.1 | Very high | 90.4 | Very high | 96 Ų | 96 | 50.2 Ų | 50.2 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 148.2 | 164.1 | -70.2 | -172 | 168.9 | -164.1 | 0 | 110.6 | H230 E233 M316 | H230-K245 PolarHBondContact ND1-NZ 3.41Å; E233-K245 HydrophobicContact CB-CD 4.07Å; E233-K245 HydrophobicContact CB-CG 4.13Å; E233-K245 WeakPolarHBondContact OE2-CD 3.43Å; E233-K245 WeakPolarHBondContact OE2-CE 3.45Å; E233-K245 IonicContact OE2-NZ 2.8Å; E233-K245 PolarHBondContact OE2-NZ 3.21Å; K245-M316 WeakPolarHBondContact O-CE 3.49Å |
| 246 | P | 95.7 | Very high | 90 | Very high | 11 Ų | 11 | 57.9 Ų | 57.9 | 7% | 0.071 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 150.2 | 172.3 | 29.9 | -34.4 | 0 | 0 | 0 | 111.5 | E233 V236 S317 V319 | E233-P246 HydrophobicContact CG-CG 4.45Å; V236-P246 HydrophobicContact CB-CG 4.09Å; V236-P246 HydrophobicContact CG1-CB 4.04Å; V236-P246 HydrophobicContact CG1-CG 3.98Å; P246-S317 CarbonylContact C-O 3.59Å; P246-S317 WeakPolarHBondContact CA-O 3.4Å; P246-V319 HydrophobicContact CB-CG2 3.95Å; P246-V319 HydrophobicContact CG-CG2 4.28Å |
| 247 | T | 96.1 | Very high | 89.8 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 157.6 | 168 | -170.8 | 0 | 0 | 0 | 0 | 111.1 | Y310 S317 V318 V319 | T247-Y310 HydrophobicContact CG2-CD1 3.95Å; T247-Y310 HydrophobicContact CG2-CD2 3.65Å; T247-Y310 HydrophobicContact CG2-CE1 4.37Å; T247-Y310 HydrophobicContact CG2-CE2 4.09Å; T247-Y310 HydrophobicContact CG2-CG 3.6Å; T247-S317 PolarHBondContact N-O 2.88Å; T247-V318 HydrophobicContact CG2-CB 4.49Å; T247-V318 HydrophobicContact CG2-CG2 3.89Å; T247-V318 CarbonylContact O-C 3.54Å; T247-V318 WeakPolarHBondContact O-CA 3.34Å; T247-V319 PolarHBondContact O-N 2.78Å |
| 248 | I | 94.1 | Very high | 89.5 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 27% | 0.272 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131 | 177.9 | -57.8 | 177.4 | 0 | 0 | 0 | 109.1 | W229 E250 R321 | W229-I248 HydrophobicContact CH2-CD1 4.32Å; W229-I248 HydrophobicContact CZ2-CD1 3.5Å; W229-I248 VanDerWaalsContact CZ2-CD1 3.5Å; W229-I248 HydrophobicContact CZ2-CG1 3.87Å; I248-E250 WeakPolarHBondContact CG2-OE1 3.22Å; I248-R321 HydrophobicContact CG2-CB 3.77Å |
| 249 | V | 90.6 | Very high | 89.3 | Confident | 16 Ų | 16 | 56.8 Ų | 56.8 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 116.2 | 167.4 | 178.2 | 0 | 0 | 0 | 0 | 108 | A303 Y310 V318 V319 I320 R321 | V249-A303 HydrophobicContact CG1-CB 4.14Å; V249-Y310 HydrophobicContact CG2-CD2 3.95Å; V249-Y310 HydrophobicContact CG2-CE2 3.94Å; V249-V318 HydrophobicContact CB-CG1 4.22Å; V249-V318 HydrophobicContact CG2-CG1 3.8Å; V249-V319 PolarHBondContact N-O 3.25Å; V249-I320 WeakPolarHBondContact O-CA 3.48Å; V249-R321 PolarHBondContact O-N 3.1Å |
| 250 | E | 88.7 | Confident | 89.7 | Confident | 85 Ų | 85 | 58.2 Ų | 58.2 | 40% | 0.397 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 142.9 | 175.7 | -61 | -57.8 | 152.5 | 0 | 0 | 111 | I248 P252 R321 | I248-E250 WeakPolarHBondContact CG2-OE1 3.22Å; E250-P252 WeakPolarHBondContact O-CD 3.35Å; E250-R321 IonicContact OE1-CZ 3.68Å; E250-R321 IonicContact OE1-NE 2.7Å; E250-R321 PolarHBondContact OE1-NE 3.47Å; E250-R321 IonicContact OE1-NH2 2.59Å; E250-R321 PolarHBondContact OE1-NH2 3.17Å; E250-R321 IonicContact OE2-NE 3.26Å |
| 251 | V | 84.3 | Confident | 89.9 | Confident | 27 Ų | 27 | 58 Ų | 58 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | trans | -64.2 | 116.7 | 168.3 | 171.7 | 0 | 0 | 0 | 0 | 108.4 | V253 I320 R321 F332 | V251-V253 HydrophobicContact CG1-CG2 4.33Å; V251-V253 PolarHBondContact O-N 3.28Å; V251-V253 VanDerWaalsContact O-N 3.09Å; V251-I320 HydrophobicContact CG2-CG2 3.59Å; V251-R321 WeakPolarHBondContact CG2-O 3.35Å; V251-R321 PolarHBondContact N-O 3.01Å; V251-F332 HydrophobicContact CB-CE2 4.29Å; V251-F332 HydrophobicContact CG1-CE2 3.73Å; V251-F332 HydrophobicContact CG1-CZ 4.07Å; V251-F332 HydrophobicContact CG2-CD2 4.28Å; V251-F332 HydrophobicContact CG2-CE2 3.58Å; V251-F332 HydrophobicContact CG2-CZ 4.35Å | ||
| 252 | P | 85 | Confident | 90.1 | Very high | 36 Ų | 36 | 56.5 Ų | 56.5 | 23% | 0.234 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -80.2 | 3.5 | -163.3 | 33.4 | -39.2 | 0 | 0 | 0 | 114 | E250 R299 A303 | E250-P252 WeakPolarHBondContact O-CD 3.35Å; P252-R299 HydrophobicContact CB-CB 4.29Å; P252-R299 HydrophobicContact CG-CB 4.47Å; P252-R299 VanDerWaalsContact CG-O 3.29Å; P252-R299 WeakPolarHBondContact CG-O 3.48Å; P252-R299 PolarHBondContact O-NE 2.66Å; P252-R299 PolarHBondContact O-NH2 2.89Å; P252-A303 HydrophobicContact CB-CB 4.37Å; P252-A303 HydrophobicContact CG-CB 3.72Å |
| 253 | V | 85.2 | Confident | 90.1 | Very high | 19 Ų | 19 | 54.7 Ų | 54.7 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | trans | -138.3 | 148.3 | -174.1 | -61 | 0 | 0 | 0 | 0 | 111.5 | V251 V258 L296 R299 | V251-V253 HydrophobicContact CG1-CG2 4.33Å; V251-V253 PolarHBondContact O-N 3.28Å; V251-V253 VanDerWaalsContact O-N 3.09Å; V253-V258 HydrophobicContact CB-CG2 4.18Å; V253-V258 HydrophobicContact CG2-CG2 4.03Å; V253-L296 HydrophobicContact CB-CD2 4.16Å; V253-L296 HydrophobicContact CG1-CB 4.22Å; V253-L296 HydrophobicContact CG1-CD2 3.58Å; V253-L296 HydrophobicContact CG1-CG 4.49Å; V253-R299 HydrophobicContact CG1-CB 4.26Å | ||
| 254 | K | 83.7 | Confident | 90.2 | Very high | 134 Ų | 134 | 53 Ų | 53 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | trans | -103.3 | 145.9 | 176.3 | -54.2 | -174.6 | -161.8 | 83.9 | 0 | 110.7 | K256 E257 V258 | K254-K256 PolarHBondContact O-N 2.98Å; K254-K256 VanDerWaalsContact O-N 3.12Å; K254-E257 HydrophobicContact CB-CG 4.18Å; K254-E257 VanDerWaalsContact CD-OE1 3.26Å; K254-E257 WeakPolarHBondContact CD-OE1 3.35Å; K254-E257 WeakPolarHBondContact CE-OE1 3.32Å; K254-E257 WeakPolarHBondContact CG-OE1 3.3Å; K254-E257 IonicContact NZ-OE1 3.63Å; K254-E257 PolarHBondContact NZ-OE1 3.49Å; K254-E257 WeakPolarHBondContact O-CB 3.14Å; K254-E257 PolarHBondContact O-N 3.42Å; K254-V258 PolarHBondContact O-N 3.01Å; K254-V258 VanDerWaalsContact O-N 3.11Å | ||
| 255 | A | 80.2 | Confident | 90.2 | Very high | 21 Ų | 21 | 50.5 Ų | 50.5 | 17% | 0.174 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.4 | -35 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A259 C327 V330 L357 | A255-A259 WeakPolarHBondContact O-CB 3.22Å; A255-A259 PolarHBondContact O-N 3Å; A255-C327 HydrophobicContact CB-CB 4.1Å; A255-V330 HydrophobicContact CB-CG2 4.36Å; A255-L357 HydrophobicContact CB-CD2 3.8Å |
| 256 | K | 86.5 | Confident | 90 | Very high | 168 Ų | 168 | 46.6 Ų | 46.6 | 73% | 0.73 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -66.8 | -39.5 | 174 | -173.3 | 179.8 | 177.5 | -175.9 | 0 | 112.8 | K254 A259 S260 | K254-K256 PolarHBondContact O-N 2.98Å; K254-K256 VanDerWaalsContact O-N 3.12Å; K256-A259 PolarHBondContact O-N 3.19Å; K256-S260 PolarHBondContact O-N 2.76Å; K256-S260 PolarHBondContact O-OG 2.86Å |
| 257 | E | 89.7 | Confident | 89.8 | Confident | 51 Ų | 51 | 49.8 Ų | 49.8 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 177.2 | -67.8 | 165.3 | -143.7 | 0 | 0 | 110 | K254 A259 S260 A261 L296 R299 | K254-E257 HydrophobicContact CB-CG 4.18Å; K254-E257 VanDerWaalsContact CD-OE1 3.26Å; K254-E257 WeakPolarHBondContact CD-OE1 3.35Å; K254-E257 WeakPolarHBondContact CE-OE1 3.32Å; K254-E257 WeakPolarHBondContact CG-OE1 3.3Å; K254-E257 IonicContact NZ-OE1 3.63Å; K254-E257 PolarHBondContact NZ-OE1 3.49Å; K254-E257 WeakPolarHBondContact O-CB 3.14Å; K254-E257 PolarHBondContact O-N 3.42Å; E257-A259 PolarHBondContact O-N 3.4Å; E257-S260 PolarHBondContact O-N 2.9Å; E257-A261 WeakPolarHBondContact O-CB 3.26Å; E257-A261 PolarHBondContact O-N 2.87Å; E257-L296 HydrophobicContact CB-CD1 4.34Å; E257-L296 HydrophobicContact CB-CD2 4.12Å; E257-R299 IonicContact OE2-CZ 2.72Å; E257-R299 IonicContact OE2-NH1 2.69Å; E257-R299 PolarHBondContact OE2-NH1 2.99Å; E257-R299 IonicContact OE2-NH2 3.56Å; E257-R299 PolarHBondContact OE2-NH2 3.44Å |
| 258 | V | 89.2 | Confident | 89.6 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | V253 K254 F262 W293 L296 A355 L357 | V253-V258 HydrophobicContact CB-CG2 4.18Å; V253-V258 HydrophobicContact CG2-CG2 4.03Å; K254-V258 PolarHBondContact O-N 3.01Å; K254-V258 VanDerWaalsContact O-N 3.11Å; V258-F262 VanDerWaalsContact O-CB 3.22Å; V258-F262 WeakPolarHBondContact O-CB 3.38Å; V258-F262 PolarHBondContact O-N 3.44Å; V258-W293 HydrophobicContact CG1-CH2 4.4Å; V258-W293 HydrophobicContact CG1-CZ3 3.87Å; V258-L296 HydrophobicContact CG2-CD1 4.27Å; V258-A355 HydrophobicContact CG1-CB 4.05Å; V258-L357 HydrophobicContact CB-CD1 4.1Å; V258-L357 HydrophobicContact CG1-CD1 3.82Å |
| 259 | A | 88.1 | Confident | 89.3 | Confident | 42 Ų | 42 | 49.5 Ų | 49.5 | 35% | 0.347 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | A255 K256 E257 E263 L357 | A255-A259 WeakPolarHBondContact O-CB 3.22Å; A255-A259 PolarHBondContact O-N 3Å; K256-A259 PolarHBondContact O-N 3.19Å; E257-A259 PolarHBondContact O-N 3.4Å; A259-E263 WeakPolarHBondContact O-CB 3.37Å; A259-E263 PolarHBondContact O-N 2.93Å; A259-L357 HydrophobicContact CB-CD1 3.83Å |
| 260 | S | 94.3 | Very high | 89.1 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 178.9 | -67.6 | 0 | 0 | 0 | 0 | 112.5 | K256 E257 E263 A264 | K256-S260 PolarHBondContact O-N 2.76Å; K256-S260 PolarHBondContact O-OG 2.86Å; E257-S260 PolarHBondContact O-N 2.9Å; S260-E263 PolarHBondContact O-N 2.99Å; S260-A264 WeakPolarHBondContact O-CB 3.34Å; S260-A264 PolarHBondContact O-N 3.48Å |
| 261 | A | 95 | Very high | 88.8 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E257 A264 L265 T291 W293 L296 | E257-A261 WeakPolarHBondContact O-CB 3.26Å; E257-A261 PolarHBondContact O-N 2.87Å; A261-A264 PolarHBondContact O-N 2.78Å; A261-L265 WeakPolarHBondContact O-CB 3.42Å; A261-L265 PolarHBondContact O-N 3.02Å; A261-T291 WeakPolarHBondContact CA-O 3.49Å; A261-T291 WeakPolarHBondContact CB-O 3.2Å; A261-W293 HydrophobicContact CB-CB 4.41Å; A261-W293 HydrophobicContact CB-CE3 4.08Å; A261-L296 HydrophobicContact CB-CD1 3.48Å; A261-L296 VanDerWaalsContact CB-CD1 3.48Å |
| 262 | F | 92 | Very high | 88.5 | Confident | 55 Ų | 55 | 53.1 Ų | 53.1 | 24% | 0.241 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 173.5 | 178.8 | -94.7 | 0 | 0 | 0 | 111.5 | F82 V258 L265 R266 W293 | F82-F262 HydrophobicContact CE1-CE2 4.37Å; F82-F262 HydrophobicContact CE2-CE2 4.18Å; F82-F262 HydrophobicContact CZ-CD2 4.22Å; F82-F262 AromaticContact CZ-CE2 3.64Å; F82-F262 HydrophobicContact CZ-CE2 3.64Å; F82-F262 HydrophobicContact CZ-CZ 4.24Å; V258-F262 VanDerWaalsContact O-CB 3.22Å; V258-F262 WeakPolarHBondContact O-CB 3.38Å; V258-F262 PolarHBondContact O-N 3.44Å; F262-L265 PolarHBondContact O-N 3.37Å; F262-R266 HydrophobicContact CE1-CB 4.47Å; F262-R266 VanDerWaalsContact O-CB 3.32Å; F262-R266 WeakPolarHBondContact O-CB 3.42Å; F262-R266 PolarHBondContact O-N 2.95Å; F262-W293 HydrophobicContact CB-CE3 4.24Å; F262-W293 HydrophobicContact CB-CH2 4.48Å; F262-W293 HydrophobicContact CB-CZ3 3.76Å; F262-W293 HydrophobicContact CD2-CH2 4.1Å; F262-W293 HydrophobicContact CD2-CZ3 4.17Å; F262-W293 HydrophobicContact CG-CZ3 4.48Å |
| 263 | E | 92.6 | Very high | 88.3 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 32% | 0.318 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.7 | -37.8 | -179 | -176.8 | 56.9 | -161.2 | 0 | 0 | 112.3 | H46 A259 S260 R266 S267 | H46-E263 IonicContact CE1-OE2 3.16Å; H46-E263 PolarHBondContact CE1-OE2 3.44Å; H46-E263 VanDerWaalsContact CE1-OE2 3.26Å; H46-E263 IonicContact NE2-OE1 3.76Å; H46-E263 IonicContact NE2-OE2 3.28Å; H46-E263 PolarHBondContact NE2-OE2 2.99Å; A259-E263 WeakPolarHBondContact O-CB 3.37Å; A259-E263 PolarHBondContact O-N 2.93Å; S260-E263 PolarHBondContact O-N 2.99Å; E263-R266 PolarHBondContact O-N 2.64Å; E263-R266 IonicContact OE1-CZ 3.01Å; E263-R266 IonicContact OE1-NE 3.53Å; E263-R266 PolarHBondContact OE1-NE 3.11Å; E263-R266 IonicContact OE1-NH2 2.77Å; E263-R266 PolarHBondContact OE1-NH2 2.63Å; E263-R266 IonicContact OE2-CZ 2.6Å; E263-R266 IonicContact OE2-NE 3.71Å; E263-R266 PolarHBondContact OE2-NE 3.39Å; E263-R266 IonicContact OE2-NH2 3.62Å; E263-S267 WeakPolarHBondContact O-CB 3.46Å; E263-S267 PolarHBondContact O-N 3.02Å |
| 264 | A | 94.5 | Very high | 88.2 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 35% | 0.347 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S260 A261 R266 S267 L268 T291 | S260-A264 WeakPolarHBondContact O-CB 3.34Å; S260-A264 PolarHBondContact O-N 3.48Å; A261-A264 PolarHBondContact O-N 2.78Å; A264-R266 PolarHBondContact O-N 2.8Å; A264-S267 PolarHBondContact O-N 3.34Å; A264-L268 WeakPolarHBondContact O-CB 3.35Å; A264-L268 PolarHBondContact O-N 3.02Å; A264-T291 HydrophobicContact CB-CG2 4.05Å |
| 265 | L | 94.2 | Very high | 88.4 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 10% | 0.099 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 175.7 | -175.1 | 65.6 | 0 | 0 | 0 | 112.3 | F82 A261 F262 L268 C269 V288 T291 W293 | F82-L265 HydrophobicContact CE1-CB 4.39Å; F82-L265 HydrophobicContact CE1-CD2 4.09Å; F82-L265 HydrophobicContact CE1-CG 3.89Å; F82-L265 HydrophobicContact CZ-CD2 4.14Å; F82-L265 HydrophobicContact CZ-CG 4.44Å; A261-L265 WeakPolarHBondContact O-CB 3.42Å; A261-L265 PolarHBondContact O-N 3.02Å; F262-L265 PolarHBondContact O-N 3.37Å; L265-L268 PolarHBondContact O-N 3.36Å; L265-C269 PolarHBondContact O-N 3.02Å; L265-C269 PolarHBondContact O-SG 2.94Å; L265-V288 HydrophobicContact CD1-CG2 4.48Å; L265-T291 HydrophobicContact CB-CG2 4.18Å; L265-T291 HydrophobicContact CD1-CG2 4.37Å; L265-W293 HydrophobicContact CD2-CB 4.22Å; L265-W293 HydrophobicContact CD2-CD2 4.17Å; L265-W293 HydrophobicContact CD2-CG 3.74Å |
| 266 | R | 91.1 | Very high | 88.7 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 5% | 0.053 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 176.6 | -166.5 | -159.5 | 62.8 | 68.8 | -7.8 | 111.4 | H46 F82 F262 E263 A264 S270 | H46-R266 PolarHBondContact CD2-NE 3.01Å; H46-R266 VanDerWaalsContact CD2-NE 3.3Å; H46-R266 PolarHBondContact CD2-NH2 3.22Å; H46-R266 PolarHBondContact NE2-NE 2.79Å; H46-R266 PolarHBondContact NE2-NH2 2.92Å; F82-R266 HydrophobicContact CD1-CB 4.34Å; F82-R266 HydrophobicContact CD1-CG 4.39Å; F82-R266 HydrophobicContact CE1-CB 4.2Å; F262-R266 HydrophobicContact CE1-CB 4.47Å; F262-R266 VanDerWaalsContact O-CB 3.32Å; F262-R266 WeakPolarHBondContact O-CB 3.42Å; F262-R266 PolarHBondContact O-N 2.95Å; E263-R266 PolarHBondContact O-N 2.64Å; E263-R266 IonicContact OE1-CZ 3.01Å; E263-R266 IonicContact OE1-NE 3.53Å; E263-R266 PolarHBondContact OE1-NE 3.11Å; E263-R266 IonicContact OE1-NH2 2.77Å; E263-R266 PolarHBondContact OE1-NH2 2.63Å; E263-R266 IonicContact OE2-CZ 2.6Å; E263-R266 IonicContact OE2-NE 3.71Å; E263-R266 PolarHBondContact OE2-NE 3.39Å; E263-R266 IonicContact OE2-NH2 3.62Å; A264-R266 PolarHBondContact O-N 2.8Å; R266-S270 PolarHBondContact NH1-OG 2.93Å; R266-S270 PolarHBondContact O-N 3.05Å; R266-S270 PolarHBondContact O-OG 3.41Å |
| 267 | S | 90.2 | Very high | 88.9 | Confident | 77 Ų | 77 | 51.4 Ų | 51.4 | 54% | 0.538 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 173.2 | -169.1 | 0 | 0 | 0 | 0 | 111 | E263 A264 C269 S270 | E263-S267 WeakPolarHBondContact O-CB 3.46Å; E263-S267 PolarHBondContact O-N 3.02Å; A264-S267 PolarHBondContact O-N 3.34Å; S267-C269 VanDerWaalsContact C-N 3.33Å; S267-C269 PolarHBondContact O-N 3.27Å; S267-S270 WeakPolarHBondContact O-CB 3.49Å; S267-S270 PolarHBondContact O-N 3.26Å |
| 268 | L | 91.7 | Very high | 89 | Confident | 32 Ų | 32 | 57 Ų | 57 | 17% | 0.168 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.1 | -40.4 | -179.4 | -167.5 | 64.9 | 0 | 0 | 0 | 113.2 | A264 L265 S270 L280 W284 E287 V288 T291 | A264-L268 WeakPolarHBondContact O-CB 3.35Å; A264-L268 PolarHBondContact O-N 3.02Å; L265-L268 PolarHBondContact O-N 3.36Å; L268-S270 VanDerWaalsContact C-N 3.29Å; L268-S270 PolarHBondContact O-N 3.44Å; L268-L280 HydrophobicContact CD1-CD1 3.55Å; L268-L280 HydrophobicContact CD1-CD2 4.11Å; L268-L280 HydrophobicContact CG-CD1 4.2Å; L268-L280 HydrophobicContact CG-CD2 4.27Å; L268-L280 WeakPolarHBondContact O-CD2 3.36Å; L268-W284 HydrophobicContact CD2-CZ3 4.17Å; L268-W284 HydrophobicContact CG-CZ3 4.21Å; L268-E287 HydrophobicContact CD1-CB 3.81Å; L268-E287 HydrophobicContact CD2-CB 3.92Å; L268-V288 HydrophobicContact CD2-CB 4.44Å; L268-V288 HydrophobicContact CD2-CG2 3.74Å; L268-T291 HydrophobicContact CD2-CG2 4.09Å |
| 269 | C | 89.1 | Confident | 89.1 | Confident | 45 Ų | 45 | 62.6 Ų | 62.6 | 30% | 0.304 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -74 | -13.9 | 175.7 | -65.1 | 0 | 0 | 0 | 0 | 114.2 | F82 L265 S267 V271 | F82-C269 HydrophobicContact CB-CB 4.12Å; F82-C269 HydrophobicContact CD1-CB 3.9Å; F82-C269 HydrophobicContact CG-CB 4.43Å; L265-C269 PolarHBondContact O-N 3.02Å; L265-C269 PolarHBondContact O-SG 2.94Å; S267-C269 VanDerWaalsContact C-N 3.33Å; S267-C269 PolarHBondContact O-N 3.27Å; C269-V271 PolarHBondContact O-N 3.45Å |
| 270 | S | 86 | Confident | 89.3 | Confident | 21 Ų | 21 | 62 Ų | 62 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | trans | -83.5 | 48.2 | -173.3 | -62.9 | 0 | 0 | 0 | 0 | 113 | R266 S267 L268 E272 | R266-S270 PolarHBondContact NH1-OG 2.93Å; R266-S270 PolarHBondContact O-N 3.05Å; R266-S270 PolarHBondContact O-OG 3.41Å; S267-S270 WeakPolarHBondContact O-CB 3.49Å; S267-S270 PolarHBondContact O-N 3.26Å; L268-S270 VanDerWaalsContact C-N 3.29Å; L268-S270 PolarHBondContact O-N 3.44Å; S270-E272 PolarHBondContact O-N 2.88Å | ||
| 271 | V | 83.1 | Confident | 89.2 | Confident | 51 Ų | 51 | 62.5 Ų | 62.5 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | trans | -73.2 | 124.9 | -170.6 | -171.4 | 0 | 0 | 0 | 0 | 112.6 | C269 A276 F277 L280 | C269-V271 PolarHBondContact O-N 3.45Å; V271-A276 HydrophobicContact CG1-CB 3.84Å; V271-F277 HydrophobicContact CG1-CB 3.9Å; V271-L280 HydrophobicContact CG2-CD2 3.63Å | ||
| 272 | E | 76.3 | Confident | 89.2 | Confident | 131 Ų | 131 | 66.7 Ų | 66.7 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | trans | -86.4 | -26.1 | -171.1 | -54.5 | -167.9 | 148.9 | 0 | 0 | 115.6 | K76 S270 | K76-E272 WeakPolarHBondContact CE-OE1 3.5Å; K76-E272 IonicContact NZ-OE1 2.77Å; K76-E272 PolarHBondContact NZ-OE1 3Å; S270-E272 PolarHBondContact O-N 2.88Å | ||
| 273 | T | 81.3 | Confident | 89.3 | Confident | 73 Ų | 73 | 70 Ų | 70 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -141 | 152.3 | -173.8 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | G275 A276 F277 | T273-G275 PolarHBondContact O-N 2.87Å; T273-A276 PolarHBondContact O-N 3.42Å; T273-A276 VanDerWaalsContact O-N 3.15Å; T273-A276 WeakPolarHBondContact OG1-CB 3.08Å; T273-A276 PolarHBondContact OG1-N 3.44Å; T273-A276 VanDerWaalsContact OG1-N 3.1Å; T273-F277 PolarHBondContact O-N 3.12Å |
| 274 | P | 83.2 | Confident | 89.4 | Confident | 100 Ų | 100 | 71.6 Ų | 71.6 | 65% | 0.649 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -58.4 | -32.2 | 173.8 | -25.6 | 35.1 | 0 | 0 | 0 | 113.6 | F277 W278 | P274-F277 WeakPolarHBondContact O-CB 3.4Å; P274-F277 PolarHBondContact O-N 3.06Å; P274-W278 PolarHBondContact O-N 3.33Å |
| 275 | G | 87.4 | Confident | 89.4 | Confident | 44 Ų | 44 | 75.4 Ų | 75.4 | 45% | 0.454 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T273 F277 W278 M279 | T273-G275 PolarHBondContact O-N 2.87Å; G275-F277 VanDerWaalsContact C-N 3.28Å; G275-F277 PolarHBondContact O-N 3.14Å; G275-W278 PolarHBondContact O-N 2.65Å; G275-M279 WeakPolarHBondContact O-CG 3.48Å; G275-M279 PolarHBondContact O-N 3.25Å; G275-M279 VanDerWaalsContact O-N 3.14Å |
| 276 | A | 87.6 | Confident | 89.5 | Confident | 35 Ų | 35 | 77.6 Ų | 77.6 | 29% | 0.289 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | V271 T273 M279 L280 | V271-A276 HydrophobicContact CG1-CB 3.84Å; T273-A276 PolarHBondContact O-N 3.42Å; T273-A276 VanDerWaalsContact O-N 3.15Å; T273-A276 WeakPolarHBondContact OG1-CB 3.08Å; T273-A276 PolarHBondContact OG1-N 3.44Å; T273-A276 VanDerWaalsContact OG1-N 3.1Å; A276-M279 PolarHBondContact O-N 2.62Å; A276-L280 WeakPolarHBondContact O-CB 3.41Å; A276-L280 PolarHBondContact O-N 3.22Å |
| 277 | F | 89.7 | Confident | 89.7 | Confident | 91 Ų | 91 | 80.3 Ų | 80.3 | 40% | 0.399 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.8 | -53.5 | 175.5 | 178.3 | -94.4 | 0 | 0 | 0 | 111.9 | V271 T273 P274 G275 M279 L280 D281 | V271-F277 HydrophobicContact CG1-CB 3.9Å; T273-F277 PolarHBondContact O-N 3.12Å; P274-F277 WeakPolarHBondContact O-CB 3.4Å; P274-F277 PolarHBondContact O-N 3.06Å; G275-F277 VanDerWaalsContact C-N 3.28Å; G275-F277 PolarHBondContact O-N 3.14Å; F277-M279 VanDerWaalsContact C-N 3.3Å; F277-M279 PolarHBondContact O-N 3.38Å; F277-L280 PolarHBondContact O-N 2.96Å; F277-L280 VanDerWaalsContact O-N 3.12Å; F277-D281 HydrophobicContact CE1-CB 4.39Å; F277-D281 WeakPolarHBondContact O-CB 3.4Å; F277-D281 PolarHBondContact O-N 3.48Å |
| 278 | W | 92.6 | Very high | 90 | Very high | 168 Ų | 168 | 77.3 Ų | 77.3 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.1 | -30.6 | -179.7 | -65.1 | 121.1 | 0 | 0 | 0 | 113.4 | P274 G275 D281 S282 | P274-W278 PolarHBondContact O-N 3.33Å; G275-W278 PolarHBondContact O-N 2.65Å; W278-D281 HydrophobicContact CE3-CB 4.32Å; W278-S282 PolarHBondContact O-N 3.38Å |
| 279 | M | 91 | Very high | 90.2 | Very high | 131 Ų | 131 | 80.2 Ų | 80.2 | 65% | 0.645 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.8 | -41.3 | 171.3 | -71.3 | -171.2 | -62.9 | 0 | 0 | 112.2 | G275 A276 F277 S282 | G275-M279 WeakPolarHBondContact O-CG 3.48Å; G275-M279 PolarHBondContact O-N 3.25Å; G275-M279 VanDerWaalsContact O-N 3.14Å; A276-M279 PolarHBondContact O-N 2.62Å; F277-M279 VanDerWaalsContact C-N 3.3Å; F277-M279 PolarHBondContact O-N 3.38Å; M279-S282 PolarHBondContact O-OG 3.33Å |
| 280 | L | 92.2 | Very high | 90.6 | Very high | 28 Ų | 28 | 82.4 Ų | 82.4 | 15% | 0.147 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -68.2 | -46.3 | 175.7 | 171.8 | 57.9 | 0 | 0 | 0 | 112 | L268 V271 A276 F277 S282 K283 W284 E287 | L268-L280 HydrophobicContact CD1-CD1 3.55Å; L268-L280 HydrophobicContact CD1-CD2 4.11Å; L268-L280 HydrophobicContact CG-CD1 4.2Å; L268-L280 HydrophobicContact CG-CD2 4.27Å; L268-L280 WeakPolarHBondContact O-CD2 3.36Å; V271-L280 HydrophobicContact CG2-CD2 3.63Å; A276-L280 WeakPolarHBondContact O-CB 3.41Å; A276-L280 PolarHBondContact O-N 3.22Å; F277-L280 PolarHBondContact O-N 2.96Å; F277-L280 VanDerWaalsContact O-N 3.12Å; L280-S282 VanDerWaalsContact C-N 3.26Å; L280-S282 PolarHBondContact O-N 2.96Å; L280-K283 CarbonylContact O-C 3.59Å; L280-K283 WeakPolarHBondContact O-CA 3.41Å; L280-K283 PolarHBondContact O-N 2.98Å; L280-W284 HydrophobicContact CD1-CE3 4.19Å; L280-W284 HydrophobicContact CD2-CE3 4.14Å; L280-W284 HydrophobicContact CD2-CZ3 4.17Å; L280-W284 HydrophobicContact CG-CE3 4.06Å; L280-W284 WeakPolarHBondContact O-CA 3.35Å; L280-W284 PolarHBondContact O-N 3.33Å; L280-E287 HydrophobicContact CD1-CB 3.95Å; L280-E287 HydrophobicContact CD1-CG 3.85Å |
| 281 | D | 93 | Very high | 91.1 | Very high | 82 Ų | 82 | 82 Ų | 82 | 44% | 0.439 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -51.9 | -45.1 | -179.6 | -173.8 | 71.1 | 0 | 0 | 0 | 111.4 | F277 W278 K283 W284 | F277-D281 HydrophobicContact CE1-CB 4.39Å; F277-D281 WeakPolarHBondContact O-CB 3.4Å; F277-D281 PolarHBondContact O-N 3.48Å; W278-D281 HydrophobicContact CE3-CB 4.32Å; D281-K283 PolarHBondContact O-N 3.01Å; D281-W284 WeakPolarHBondContact O-CB 3.31Å; D281-W284 PolarHBondContact O-N 2.67Å; D281-W284 VanDerWaalsContact O-N 3.13Å |
| 282 | S | 93.6 | Very high | 91.7 | Very high | 93 Ų | 93 | 80.6 Ų | 80.6 | 65% | 0.65 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -14.1 | 176 | 76.9 | 0 | 0 | 0 | 0 | 115.7 | W278 M279 L280 | W278-S282 PolarHBondContact O-N 3.38Å; M279-S282 PolarHBondContact O-OG 3.33Å; L280-S282 VanDerWaalsContact C-N 3.26Å; L280-S282 PolarHBondContact O-N 2.96Å |
| 283 | K | 94.9 | Very high | 92.5 | Very high | 126 Ų | 126 | 77.7 Ų | 77.7 | 55% | 0.548 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | 3.6 | 179.3 | -61.6 | -177.2 | -178.6 | -180 | 0 | 113.8 | L280 D281 N285 A286 E287 | L280-K283 CarbonylContact O-C 3.59Å; L280-K283 WeakPolarHBondContact O-CA 3.41Å; L280-K283 PolarHBondContact O-N 2.98Å; D281-K283 PolarHBondContact O-N 3.01Å; K283-N285 VanDerWaalsContact C-N 3.32Å; K283-N285 PolarHBondContact O-N 3.37Å; K283-A286 PolarHBondContact O-N 3.32Å; K283-E287 HydrophobicContact CB-CG 3.92Å; K283-E287 PolarHBondContact O-N 3.27Å |
| 284 | W | 94.5 | Very high | 93.2 | Very high | 101 Ų | 101 | 78.4 Ų | 78.4 | 38% | 0.383 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -46.9 | -49.3 | -160.6 | 169.5 | -106.5 | 0 | 0 | 0 | 114 | L268 L280 D281 A286 E287 V288 | L268-W284 HydrophobicContact CD2-CZ3 4.17Å; L268-W284 HydrophobicContact CG-CZ3 4.21Å; L280-W284 HydrophobicContact CD1-CE3 4.19Å; L280-W284 HydrophobicContact CD2-CE3 4.14Å; L280-W284 HydrophobicContact CD2-CZ3 4.17Å; L280-W284 HydrophobicContact CG-CE3 4.06Å; L280-W284 WeakPolarHBondContact O-CA 3.35Å; L280-W284 PolarHBondContact O-N 3.33Å; D281-W284 WeakPolarHBondContact O-CB 3.31Å; D281-W284 PolarHBondContact O-N 2.67Å; D281-W284 VanDerWaalsContact O-N 3.13Å; W284-A286 PolarHBondContact O-N 2.8Å; W284-E287 PolarHBondContact O-N 3.31Å; W284-V288 HydrophobicContact CD2-CG2 3.69Å; W284-V288 VanDerWaalsContact CE2-CG2 3.46Å; W284-V288 HydrophobicContact CE3-CG2 3.91Å; W284-V288 HydrophobicContact CG-CG2 4.37Å; W284-V288 HydrophobicContact CH2-CG2 3.74Å; W284-V288 HydrophobicContact CZ2-CG2 3.5Å; W284-V288 HydrophobicContact CZ3-CG2 3.94Å; W284-V288 WeakPolarHBondContact O-CB 3.43Å; W284-V288 VanDerWaalsContact O-CG2 3.31Å; W284-V288 WeakPolarHBondContact O-CG2 3.34Å; W284-V288 PolarHBondContact O-N 2.94Å |
| 285 | N | 95 | Very high | 93.8 | Very high | 121 Ų | 121 | 76.5 Ų | 76.5 | 65% | 0.647 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.4 | -45.2 | -178.8 | -60.9 | -26.2 | 0 | 0 | 0 | 112.5 | K283 V288 D289 | K283-N285 VanDerWaalsContact C-N 3.32Å; K283-N285 PolarHBondContact O-N 3.37Å; N285-V288 PolarHBondContact O-N 2.9Å; N285-D289 WeakPolarHBondContact O-CB 3.49Å; N285-D289 PolarHBondContact O-N 3.49Å |
| 286 | A | 96.2 | Very high | 94 | Very high | 66 Ų | 66 | 75 Ų | 75 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.6 | -38.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | K283 W284 S290 | K283-A286 PolarHBondContact O-N 3.32Å; W284-A286 PolarHBondContact O-N 2.8Å; A286-S290 WeakPolarHBondContact O-CB 3.37Å; A286-S290 PolarHBondContact O-N 3.35Å |
| 287 | E | 96.1 | Very high | 94.1 | Very high | 71 Ų | 71 | 76.3 Ų | 76.3 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.8 | -40.7 | 176.2 | -57.4 | -67.4 | 164.7 | 0 | 0 | 111 | L268 L280 K283 W284 S290 T291 | L268-E287 HydrophobicContact CD1-CB 3.81Å; L268-E287 HydrophobicContact CD2-CB 3.92Å; L280-E287 HydrophobicContact CD1-CB 3.95Å; L280-E287 HydrophobicContact CD1-CG 3.85Å; K283-E287 HydrophobicContact CB-CG 3.92Å; K283-E287 PolarHBondContact O-N 3.27Å; W284-E287 PolarHBondContact O-N 3.31Å; E287-S290 WeakPolarHBondContact O-CB 3.41Å; E287-S290 PolarHBondContact O-N 2.81Å; E287-S290 PolarHBondContact O-OG 2.81Å; E287-T291 PolarHBondContact O-N 2.93Å |
| 288 | V | 95.5 | Very high | 94.3 | Very high | 13 Ų | 13 | 77 Ų | 77 | 8% | 0.079 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 174.4 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | L265 L268 W284 N285 S290 T291 L294 | L265-V288 HydrophobicContact CD1-CG2 4.48Å; L268-V288 HydrophobicContact CD2-CB 4.44Å; L268-V288 HydrophobicContact CD2-CG2 3.74Å; W284-V288 HydrophobicContact CD2-CG2 3.69Å; W284-V288 VanDerWaalsContact CE2-CG2 3.46Å; W284-V288 HydrophobicContact CE3-CG2 3.91Å; W284-V288 HydrophobicContact CG-CG2 4.37Å; W284-V288 HydrophobicContact CH2-CG2 3.74Å; W284-V288 HydrophobicContact CZ2-CG2 3.5Å; W284-V288 HydrophobicContact CZ3-CG2 3.94Å; W284-V288 WeakPolarHBondContact O-CB 3.43Å; W284-V288 VanDerWaalsContact O-CG2 3.31Å; W284-V288 WeakPolarHBondContact O-CG2 3.34Å; W284-V288 PolarHBondContact O-N 2.94Å; N285-V288 PolarHBondContact O-N 2.9Å; V288-S290 VanDerWaalsContact C-N 3.26Å; V288-S290 PolarHBondContact O-N 2.95Å; V288-T291 WeakPolarHBondContact O-CB 3.37Å; V288-T291 WeakPolarHBondContact O-CG2 3.4Å; V288-T291 PolarHBondContact O-N 2.66Å; V288-T291 VanDerWaalsContact O-N 3.14Å; V288-T291 PolarHBondContact O-OG1 2.85Å; V288-L294 HydrophobicContact CG1-CD1 3.78Å; V288-L294 HydrophobicContact CG1-CG 4.09Å |
| 289 | D | 95.9 | Very high | 94.2 | Very high | 93 Ų | 93 | 73 Ų | 73 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.6 | -36.3 | 175.6 | -76 | -25.8 | 0 | 0 | 0 | 111.3 | N285 T291 G292 | N285-D289 WeakPolarHBondContact O-CB 3.49Å; N285-D289 PolarHBondContact O-N 3.49Å; D289-T291 PolarHBondContact O-N 3.49Å; D289-G292 PolarHBondContact O-N 3.27Å |
| 290 | S | 96.7 | Very high | 94 | Very high | 91 Ų | 91 | 67.8 Ų | 67.8 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.4 | -26.1 | 175.9 | 88.8 | 0 | 0 | 0 | 0 | 113.9 | A286 E287 V288 G292 | A286-S290 WeakPolarHBondContact O-CB 3.37Å; A286-S290 PolarHBondContact O-N 3.35Å; E287-S290 WeakPolarHBondContact O-CB 3.41Å; E287-S290 PolarHBondContact O-N 2.81Å; E287-S290 PolarHBondContact O-OG 2.81Å; V288-S290 VanDerWaalsContact C-N 3.26Å; V288-S290 PolarHBondContact O-N 2.95Å; S290-G292 PolarHBondContact O-N 3.25Å |
| 291 | T | 96.4 | Very high | 93.8 | Very high | 14 Ų | 14 | 70.7 Ų | 70.7 | 9% | 0.086 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.9 | 173.8 | 73.9 | 0 | 0 | 0 | 0 | 112.7 | A261 A264 L265 L268 E287 V288 D289 W293 | A261-T291 WeakPolarHBondContact CA-O 3.49Å; A261-T291 WeakPolarHBondContact CB-O 3.2Å; A264-T291 HydrophobicContact CB-CG2 4.05Å; L265-T291 HydrophobicContact CB-CG2 4.18Å; L265-T291 HydrophobicContact CD1-CG2 4.37Å; L268-T291 HydrophobicContact CD2-CG2 4.09Å; E287-T291 PolarHBondContact O-N 2.93Å; V288-T291 WeakPolarHBondContact O-CB 3.37Å; V288-T291 WeakPolarHBondContact O-CG2 3.4Å; V288-T291 PolarHBondContact O-N 2.66Å; V288-T291 VanDerWaalsContact O-N 3.14Å; V288-T291 PolarHBondContact O-OG1 2.85Å; D289-T291 PolarHBondContact O-N 3.49Å; T291-W293 PolarHBondContact O-N 3.3Å; T291-W293 WeakPolarHBondContact OG1-CB 3.42Å; T291-W293 PolarHBondContact OG1-N 3.37Å; T291-W293 VanDerWaalsContact OG1-N 3.12Å |
| 292 | G | 96.2 | Very high | 93.6 | Very high | 21 Ų | 21 | 71.8 Ų | 71.8 | 22% | 0.216 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D289 S290 L294 T295 L296 | D289-G292 PolarHBondContact O-N 3.27Å; S290-G292 PolarHBondContact O-N 3.25Å; G292-L294 PolarHBondContact O-N 2.95Å; G292-T295 WeakPolarHBondContact O-CB 3.39Å; G292-T295 PolarHBondContact O-N 3.28Å; G292-L296 WeakPolarHBondContact O-CG 3.33Å; G292-L296 PolarHBondContact O-N 3.22Å |
| 293 | W | 94.6 | Very high | 93.3 | Very high | 69 Ų | 69 | 68.1 Ų | 68.1 | 26% | 0.261 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | -176.2 | -179.7 | -103.4 | 0 | 0 | 0 | 112.1 | V258 A261 F262 L265 T291 T295 L296 V297 | V258-W293 HydrophobicContact CG1-CH2 4.4Å; V258-W293 HydrophobicContact CG1-CZ3 3.87Å; A261-W293 HydrophobicContact CB-CB 4.41Å; A261-W293 HydrophobicContact CB-CE3 4.08Å; F262-W293 HydrophobicContact CB-CE3 4.24Å; F262-W293 HydrophobicContact CB-CH2 4.48Å; F262-W293 HydrophobicContact CB-CZ3 3.76Å; F262-W293 HydrophobicContact CD2-CH2 4.1Å; F262-W293 HydrophobicContact CD2-CZ3 4.17Å; F262-W293 HydrophobicContact CG-CZ3 4.48Å; L265-W293 HydrophobicContact CD2-CB 4.22Å; L265-W293 HydrophobicContact CD2-CD2 4.17Å; L265-W293 HydrophobicContact CD2-CG 3.74Å; T291-W293 PolarHBondContact O-N 3.3Å; T291-W293 WeakPolarHBondContact OG1-CB 3.42Å; T291-W293 PolarHBondContact OG1-N 3.37Å; T291-W293 VanDerWaalsContact OG1-N 3.12Å; W293-T295 VanDerWaalsContact C-N 3.31Å; W293-T295 PolarHBondContact O-N 2.91Å; W293-L296 PolarHBondContact O-N 3.44Å; W293-V297 WeakPolarHBondContact O-CG2 3.26Å; W293-V297 PolarHBondContact O-N 3.26Å |
| 294 | L | 94.6 | Very high | 92.9 | Very high | 88 Ų | 88 | 62.5 Ų | 62.5 | 46% | 0.461 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 177.5 | -61.3 | -176.6 | 0 | 0 | 0 | 111.8 | V288 G292 L296 V297 Q298 | V288-L294 HydrophobicContact CG1-CD1 3.78Å; V288-L294 HydrophobicContact CG1-CG 4.09Å; G292-L294 PolarHBondContact O-N 2.95Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 3.35Å; L294-V297 PolarHBondContact O-N 2.92Å; L294-Q298 WeakPolarHBondContact O-CB 3.39Å; L294-Q298 PolarHBondContact O-N 3.45Å |
| 295 | T | 95.3 | Very high | 92.5 | Very high | 61 Ų | 61 | 62 Ų | 62 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | 174.7 | -41.1 | 0 | 0 | 0 | 0 | 112.3 | G292 W293 R299 | G292-T295 WeakPolarHBondContact O-CB 3.39Å; G292-T295 PolarHBondContact O-N 3.28Å; W293-T295 VanDerWaalsContact C-N 3.31Å; W293-T295 PolarHBondContact O-N 2.91Å; T295-R299 WeakPolarHBondContact O-CB 3.23Å; T295-R299 WeakPolarHBondContact O-CD 3.31Å; T295-R299 VanDerWaalsContact O-CG 3.25Å; T295-R299 WeakPolarHBondContact O-CG 3.43Å; T295-R299 PolarHBondContact O-N 3.35Å |
| 296 | L | 91.8 | Very high | 92.3 | Very high | 13 Ų | 13 | 57.8 Ų | 57.8 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70 | -39.2 | 174.2 | -66.2 | 174.9 | 0 | 0 | 0 | 112 | V253 E257 V258 A261 G292 W293 L294 C300 | V253-L296 HydrophobicContact CB-CD2 4.16Å; V253-L296 HydrophobicContact CG1-CB 4.22Å; V253-L296 HydrophobicContact CG1-CD2 3.58Å; V253-L296 HydrophobicContact CG1-CG 4.49Å; E257-L296 HydrophobicContact CB-CD1 4.34Å; E257-L296 HydrophobicContact CB-CD2 4.12Å; V258-L296 HydrophobicContact CG2-CD1 4.27Å; A261-L296 HydrophobicContact CB-CD1 3.48Å; A261-L296 VanDerWaalsContact CB-CD1 3.48Å; G292-L296 WeakPolarHBondContact O-CG 3.33Å; G292-L296 PolarHBondContact O-N 3.22Å; W293-L296 PolarHBondContact O-N 3.44Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-L296 PolarHBondContact O-N 3.35Å; L296-C300 WeakPolarHBondContact O-CB 3.41Å; L296-C300 PolarHBondContact O-N 2.88Å; L296-C300 PolarHBondContact O-SG 3.4Å; L296-C300 VanDerWaalsContact O-SG 3.38Å |
| 297 | V | 90.7 | Very high | 91.9 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 173.6 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | W293 L294 C300 L301 | W293-V297 WeakPolarHBondContact O-CG2 3.26Å; W293-V297 PolarHBondContact O-N 3.26Å; L294-V297 PolarHBondContact O-N 2.92Å; V297-C300 WeakPolarHBondContact O-CB 3.34Å; V297-C300 PolarHBondContact O-N 3.42Å; V297-L301 HydrophobicContact CG1-CD1 3.95Å; V297-L301 HydrophobicContact CG1-CG 4.44Å; V297-L301 WeakPolarHBondContact O-CG 3.46Å; V297-L301 PolarHBondContact O-N 3.1Å |
| 298 | Q | 92.5 | Very high | 91.4 | Very high | 106 Ų | 106 | 55.4 Ų | 55.4 | 50% | 0.495 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 176.3 | -173.5 | -169.8 | 34.6 | 0 | 0 | 111.6 | L294 C300 L301 Q302 | L294-Q298 WeakPolarHBondContact O-CB 3.39Å; L294-Q298 PolarHBondContact O-N 3.45Å; Q298-C300 VanDerWaalsContact C-N 3.29Å; Q298-C300 PolarHBondContact O-N 3.29Å; Q298-L301 PolarHBondContact O-N 2.94Å; Q298-L301 VanDerWaalsContact O-N 3.17Å; Q298-Q302 HydrophobicContact CG-CG 4.48Å; Q298-Q302 WeakPolarHBondContact O-CB 3.35Å; Q298-Q302 WeakPolarHBondContact O-CG 3.45Å; Q298-Q302 PolarHBondContact O-N 2.82Å |
| 299 | R | 91.2 | Very high | 91.2 | Very high | 84 Ų | 84 | 59 Ų | 59 | 32% | 0.317 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -54.5 | -44.8 | 176 | -81 | 162.4 | 62 | -171.5 | -3.1 | 111.7 | P252 V253 E257 T295 A303 | P252-R299 HydrophobicContact CB-CB 4.29Å; P252-R299 HydrophobicContact CG-CB 4.47Å; P252-R299 VanDerWaalsContact CG-O 3.29Å; P252-R299 WeakPolarHBondContact CG-O 3.48Å; P252-R299 PolarHBondContact O-NE 2.66Å; P252-R299 PolarHBondContact O-NH2 2.89Å; V253-R299 HydrophobicContact CG1-CB 4.26Å; E257-R299 IonicContact OE2-CZ 2.72Å; E257-R299 IonicContact OE2-NH1 2.69Å; E257-R299 PolarHBondContact OE2-NH1 2.99Å; E257-R299 IonicContact OE2-NH2 3.56Å; E257-R299 PolarHBondContact OE2-NH2 3.44Å; T295-R299 WeakPolarHBondContact O-CB 3.23Å; T295-R299 WeakPolarHBondContact O-CD 3.31Å; T295-R299 VanDerWaalsContact O-CG 3.25Å; T295-R299 WeakPolarHBondContact O-CG 3.43Å; T295-R299 PolarHBondContact O-N 3.35Å; R299-A303 PolarHBondContact O-N 3.35Å |
| 300 | C | 87.5 | Confident | 91 | Very high | 22 Ų | 22 | 58.9 Ų | 58.9 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.8 | -55.1 | 174.1 | -76.8 | 0 | 0 | 0 | 0 | 111.7 | L296 V297 Q298 Q302 A303 C304 | L296-C300 WeakPolarHBondContact O-CB 3.41Å; L296-C300 PolarHBondContact O-N 2.88Å; L296-C300 PolarHBondContact O-SG 3.4Å; L296-C300 VanDerWaalsContact O-SG 3.38Å; V297-C300 WeakPolarHBondContact O-CB 3.34Å; V297-C300 PolarHBondContact O-N 3.42Å; Q298-C300 VanDerWaalsContact C-N 3.29Å; Q298-C300 PolarHBondContact O-N 3.29Å; C300-Q302 VanDerWaalsContact C-N 3.31Å; C300-Q302 PolarHBondContact O-N 3.09Å; C300-A303 PolarHBondContact O-N 2.98Å; C300-A303 VanDerWaalsContact O-N 3.12Å; C300-C304 PolarHBondContact O-N 2.88Å; C300-C304 VanDerWaalsContact O-N 3.1Å; C300-C304 PolarHBondContact O-SG 3.37Å |
| 301 | L | 87.5 | Confident | 90.5 | Very high | 89 Ų | 89 | 55.2 Ų | 55.2 | 47% | 0.466 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59 | -38.8 | -178 | -69.7 | 171.7 | 0 | 0 | 0 | 112.8 | V297 Q298 C304 L305 | V297-L301 HydrophobicContact CG1-CD1 3.95Å; V297-L301 HydrophobicContact CG1-CG 4.44Å; V297-L301 WeakPolarHBondContact O-CG 3.46Å; V297-L301 PolarHBondContact O-N 3.1Å; Q298-L301 PolarHBondContact O-N 2.94Å; Q298-L301 VanDerWaalsContact O-N 3.17Å; L301-C304 WeakPolarHBondContact O-CB 3.47Å; L301-C304 PolarHBondContact O-N 3.25Å; L301-C304 VanDerWaalsContact O-N 3.11Å; L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 2.8Å |
| 302 | Q | 89.6 | Confident | 90.1 | Very high | 105 Ų | 105 | 58.9 Ų | 58.9 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 174.6 | -74.6 | 169.1 | -27 | 0 | 0 | 112.4 | Q298 C300 C304 L305 A306 | Q298-Q302 HydrophobicContact CG-CG 4.48Å; Q298-Q302 WeakPolarHBondContact O-CB 3.35Å; Q298-Q302 WeakPolarHBondContact O-CG 3.45Å; Q298-Q302 PolarHBondContact O-N 2.82Å; C300-Q302 VanDerWaalsContact C-N 3.31Å; C300-Q302 PolarHBondContact O-N 3.09Å; Q302-C304 PolarHBondContact O-N 3.13Å; Q302-L305 PolarHBondContact O-N 3.12Å; Q302-A306 PolarHBondContact O-N 2.96Å |
| 303 | A | 86.7 | Confident | 89.8 | Confident | 16 Ų | 16 | 62.1 Ų | 62.1 | 13% | 0.132 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.7 | -28.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V249 P252 R299 C300 C307 | V249-A303 HydrophobicContact CG1-CB 4.14Å; P252-A303 HydrophobicContact CB-CB 4.37Å; P252-A303 HydrophobicContact CG-CB 3.72Å; R299-A303 PolarHBondContact O-N 3.35Å; C300-A303 PolarHBondContact O-N 2.98Å; C300-A303 VanDerWaalsContact O-N 3.12Å; A303-C307 PolarHBondContact O-N 3.34Å; A303-C307 PolarHBondContact O-SG 3.47Å |
| 304 | C | 85.3 | Confident | 89.8 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 5% | 0.054 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.1 | -40.1 | 176.8 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | C300 L301 Q302 C307 I308 I335 I337 | C300-C304 PolarHBondContact O-N 2.88Å; C300-C304 VanDerWaalsContact O-N 3.1Å; C300-C304 PolarHBondContact O-SG 3.37Å; L301-C304 WeakPolarHBondContact O-CB 3.47Å; L301-C304 PolarHBondContact O-N 3.25Å; L301-C304 VanDerWaalsContact O-N 3.11Å; Q302-C304 PolarHBondContact O-N 3.13Å; C304-C307 WeakPolarHBondContact O-CB 3.43Å; C304-C307 PolarHBondContact O-N 3.07Å; C304-I308 PolarHBondContact O-N 2.88Å; C304-I308 VanDerWaalsContact O-N 3.13Å; C304-I335 HydrophobicContact CB-CD1 4.02Å; C304-I335 HydrophobicContact CB-CG2 4.47Å; C304-I335 WeakPolarHBondContact SG-CD1 3Å; C304-I337 HydrophobicContact CB-CD1 4.14Å |
| 305 | L | 87.4 | Confident | 89.7 | Confident | 89 Ų | 89 | 61.3 Ų | 61.3 | 47% | 0.466 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 171.8 | -69.8 | 169.6 | 0 | 0 | 0 | 110.5 | L301 Q302 C307 I308 D309 I337 | L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 2.8Å; Q302-L305 PolarHBondContact O-N 3.12Å; L305-C307 VanDerWaalsContact C-N 3.31Å; L305-C307 PolarHBondContact O-N 3.45Å; L305-I308 CarbonylContact O-C 3.31Å; L305-I308 WeakPolarHBondContact O-CA 3.31Å; L305-I308 WeakPolarHBondContact O-CB 3.47Å; L305-I308 PolarHBondContact O-N 3.2Å; L305-D309 PolarHBondContact O-N 2.7Å; L305-I337 HydrophobicContact CD2-CD1 4.39Å |
| 306 | A | 89.5 | Confident | 89.7 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 28% | 0.281 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.3 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q302 I308 D309 Y310 | Q302-A306 PolarHBondContact O-N 2.96Å; A306-I308 VanDerWaalsContact C-N 3.31Å; A306-I308 PolarHBondContact O-N 3Å; A306-D309 PolarHBondContact O-N 2.59Å; A306-Y310 HydrophobicContact CB-CE2 4.49Å; A306-Y310 WeakPolarHBondContact O-CD2 3.39Å; A306-Y310 PolarHBondContact O-N 3.48Å |
| 307 | C | 88.4 | Confident | 89.7 | Confident | 12 Ų | 12 | 60 Ų | 60 | 8% | 0.081 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.8 | -39.7 | 172.2 | -73 | 0 | 0 | 0 | 0 | 112.9 | A303 C304 L305 L311 V318 | A303-C307 PolarHBondContact O-N 3.34Å; A303-C307 PolarHBondContact O-SG 3.47Å; C304-C307 WeakPolarHBondContact O-CB 3.43Å; C304-C307 PolarHBondContact O-N 3.07Å; L305-C307 VanDerWaalsContact C-N 3.31Å; L305-C307 PolarHBondContact O-N 3.45Å; C307-L311 WeakPolarHBondContact O-CB 3.3Å; C307-L311 WeakPolarHBondContact O-CD1 3.44Å; C307-L311 VanDerWaalsContact O-CG 3.23Å; C307-L311 WeakPolarHBondContact O-CG 3.47Å; C307-L311 PolarHBondContact O-N 2.92Å; C307-L311 VanDerWaalsContact O-N 3.1Å; C307-V318 HydrophobicContact CB-CG1 4.42Å |
| 308 | I | 86.8 | Confident | 89.9 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 38% | 0.379 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.7 | -45.7 | 177.9 | -69.9 | 174.2 | 0 | 0 | 0 | 110.8 | C304 L305 A306 Y310 L311 E312 I337 | C304-I308 PolarHBondContact O-N 2.88Å; C304-I308 VanDerWaalsContact O-N 3.13Å; L305-I308 CarbonylContact O-C 3.31Å; L305-I308 WeakPolarHBondContact O-CA 3.31Å; L305-I308 WeakPolarHBondContact O-CB 3.47Å; L305-I308 PolarHBondContact O-N 3.2Å; A306-I308 VanDerWaalsContact C-N 3.31Å; A306-I308 PolarHBondContact O-N 3Å; I308-Y310 VanDerWaalsContact C-N 3.25Å; I308-Y310 PolarHBondContact O-N 3.15Å; I308-L311 PolarHBondContact O-N 3.47Å; I308-L311 VanDerWaalsContact O-N 3.13Å; I308-E312 PolarHBondContact O-N 2.98Å; I308-I337 HydrophobicContact CD1-CB 4.14Å; I308-I337 HydrophobicContact CD1-CD1 3.62Å; I308-I337 HydrophobicContact CD1-CG1 4.38Å; I308-I337 HydrophobicContact CD1-CG2 4.39Å |
| 309 | D | 89.8 | Confident | 89.9 | Confident | 90 Ų | 90 | 52.1 Ų | 52.1 | 48% | 0.481 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.4 | -36.7 | 177.4 | -73.4 | -42.7 | 0 | 0 | 0 | 112 | L305 A306 S313 A314 | L305-D309 PolarHBondContact O-N 2.7Å; A306-D309 PolarHBondContact O-N 2.59Å; D309-S313 WeakPolarHBondContact O-CA 3.4Å; D309-S313 VanDerWaalsContact O-CB 3.3Å; D309-S313 WeakPolarHBondContact O-CB 3.14Å; D309-S313 PolarHBondContact O-N 2.93Å; D309-S313 VanDerWaalsContact O-N 3.14Å; D309-A314 PolarHBondContact O-N 2.93Å |
| 310 | Y | 92.6 | Very high | 89.8 | Confident | 90 Ų | 90 | 49.4 Ų | 49.4 | 35% | 0.353 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 173.1 | -72.5 | -52 | 0 | 0 | 0 | 113.1 | T247 V249 A306 I308 A314 K315 M316 V318 | T247-Y310 HydrophobicContact CG2-CD1 3.95Å; T247-Y310 HydrophobicContact CG2-CD2 3.65Å; T247-Y310 HydrophobicContact CG2-CE1 4.37Å; T247-Y310 HydrophobicContact CG2-CE2 4.09Å; T247-Y310 HydrophobicContact CG2-CG 3.6Å; V249-Y310 HydrophobicContact CG2-CD2 3.95Å; V249-Y310 HydrophobicContact CG2-CE2 3.94Å; A306-Y310 HydrophobicContact CB-CE2 4.49Å; A306-Y310 WeakPolarHBondContact O-CD2 3.39Å; A306-Y310 PolarHBondContact O-N 3.48Å; I308-Y310 VanDerWaalsContact C-N 3.25Å; I308-Y310 PolarHBondContact O-N 3.15Å; Y310-A314 HydrophobicContact CD1-CB 4.29Å; Y310-K315 PolarHBondContact O-N 3.33Å; Y310-K315 VanDerWaalsContact O-N 3.13Å; Y310-M316 CarbonylContact C-O 3.52Å; Y310-M316 PolarHBondContact O-N 2.94Å; Y310-V318 VanDerWaalsContact CB-CG2 3.47Å; Y310-V318 HydrophobicContact CD2-CG2 4.43Å; Y310-V318 HydrophobicContact CG-CG2 4.36Å |
| 311 | L | 86.9 | Confident | 89.8 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.3 | -41.4 | -178.4 | -73.9 | 167.6 | 0 | 0 | 0 | 112.8 | N208 C210 L212 C307 I308 V318 | N208-L311 PolarHBondContact ND2-O 2.93Å; C210-L311 HydrophobicContact CB-CD2 3.86Å; L212-L311 HydrophobicContact CB-CD1 4.45Å; C307-L311 WeakPolarHBondContact O-CB 3.3Å; C307-L311 WeakPolarHBondContact O-CD1 3.44Å; C307-L311 VanDerWaalsContact O-CG 3.23Å; C307-L311 WeakPolarHBondContact O-CG 3.47Å; C307-L311 PolarHBondContact O-N 2.92Å; C307-L311 VanDerWaalsContact O-N 3.1Å; I308-L311 PolarHBondContact O-N 3.47Å; I308-L311 VanDerWaalsContact O-N 3.13Å; L311-V318 HydrophobicContact CD2-CG2 4.16Å; L311-V318 HydrophobicContact CG-CG2 3.9Å |
| 312 | E | 86.8 | Confident | 89 | Confident | 90 Ų | 90 | 48.2 Ų | 48.2 | 42% | 0.421 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -60.2 | -171.5 | -172.4 | 56.6 | -162.4 | 0 | 0 | 112.5 | H206 N208 I308 K315 | H206-E312 IonicContact CE1-OE2 3.52Å; H206-E312 PolarHBondContact CE1-OE2 2.84Å; H206-E312 IonicContact ND1-OE2 3.19Å; H206-E312 PolarHBondContact ND1-OE2 2.9Å; H206-E312 IonicContact NE2-OE2 3.88Å; H206-E312 PolarHBondContact NE2-OE2 2.77Å; N208-E312 PolarHBondContact ND2-OE2 2.78Å; I308-E312 PolarHBondContact O-N 2.98Å; E312-K315 VanDerWaalsContact O-CG 3.24Å; E312-K315 WeakPolarHBondContact O-CG 3.39Å |
| 313 | S | 90.9 | Very high | 87.7 | Confident | 90 Ų | 90 | 45.5 Ų | 45.5 | 63% | 0.629 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -50 | -174.7 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | D309 | D309-S313 WeakPolarHBondContact O-CA 3.4Å; D309-S313 VanDerWaalsContact O-CB 3.3Å; D309-S313 WeakPolarHBondContact O-CB 3.14Å; D309-S313 PolarHBondContact O-N 2.93Å; D309-S313 VanDerWaalsContact O-N 3.14Å |
| 314 | A | 94.3 | Very high | 86 | Confident | 36 Ų | 36 | 47 Ų | 47 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -81.3 | -16.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K244 D309 Y310 M316 | K244-A314 PolarHBondContact NZ-O 3.28Å; D309-A314 PolarHBondContact O-N 2.93Å; Y310-A314 HydrophobicContact CD1-CB 4.29Å; A314-M316 HydrophobicContact CB-CG 4.33Å; A314-M316 HydrophobicContact CB-SD 4.42Å |
| 315 | K | 93 | Very high | 84.3 | Confident | 104 Ų | 104 | 55.2 Ų | 55.2 | 45% | 0.452 | 31% | 0.306 | S | S | . | . | trans | 49.5 | 66.7 | -173.5 | -57.1 | -178.4 | -175.1 | 179.4 | 0 | 111.1 | C210 H240 K244 Y310 E312 | C210-K315 VanDerWaalsContact SG-CA 3.55Å; H240-K315 PolarHBondContact CE1-O 3.5Å; H240-K315 PolarHBondContact NE2-O 3.29Å; K244-K315 WeakPolarHBondContact CD-O 3.47Å; Y310-K315 PolarHBondContact O-N 3.33Å; Y310-K315 VanDerWaalsContact O-N 3.13Å; E312-K315 VanDerWaalsContact O-CG 3.24Å; E312-K315 WeakPolarHBondContact O-CG 3.39Å | ||
| 316 | M | 94.4 | Very high | 82 | Confident | 46 Ų | 46 | 55.2 Ų | 55.2 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | trans | -135.8 | 137.9 | 177.7 | -68.9 | -176.3 | 67.4 | 0 | 0 | 110.8 | C210 K244 K245 Y310 A314 | C210-M316 PolarHBondContact SG-N 2.56Å; K244-M316 HydrophobicContact CD-CG 3.58Å; K244-M316 HydrophobicContact CD-SD 4.34Å; K245-M316 WeakPolarHBondContact O-CE 3.49Å; Y310-M316 CarbonylContact C-O 3.52Å; Y310-M316 PolarHBondContact O-N 2.94Å; A314-M316 HydrophobicContact CB-CG 4.33Å; A314-M316 HydrophobicContact CB-SD 4.42Å | ||
| 317 | S | 93 | Very high | 79.4 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | trans | -61.9 | 146.1 | 165.9 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | A211 P246 T247 | A211-S317 PolarHBondContact N-OG 3.34Å; A211-S317 CarbonylContact O-C 3.32Å; A211-S317 WeakPolarHBondContact O-CA 3.46Å; A211-S317 WeakPolarHBondContact O-CB 3.21Å; P246-S317 CarbonylContact C-O 3.59Å; P246-S317 WeakPolarHBondContact CA-O 3.4Å; T247-S317 PolarHBondContact N-O 2.88Å | ||
| 318 | V | 93.2 | Very high | 77 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.5 | -176.3 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | A211 L212 L213 T247 V249 C307 Y310 L311 | A211-V318 PolarHBondContact O-N 2.9Å; L212-V318 WeakPolarHBondContact CA-O 3.41Å; L212-V318 HydrophobicContact CD1-CB 4.05Å; L212-V318 HydrophobicContact CD1-CG1 4.12Å; L213-V318 PolarHBondContact N-O 3.33Å; T247-V318 HydrophobicContact CG2-CB 4.49Å; T247-V318 HydrophobicContact CG2-CG2 3.89Å; T247-V318 CarbonylContact O-C 3.54Å; T247-V318 WeakPolarHBondContact O-CA 3.34Å; V249-V318 HydrophobicContact CB-CG1 4.22Å; V249-V318 HydrophobicContact CG2-CG1 3.8Å; C307-V318 HydrophobicContact CB-CG1 4.42Å; Y310-V318 VanDerWaalsContact CB-CG2 3.47Å; Y310-V318 HydrophobicContact CD2-CG2 4.43Å; Y310-V318 HydrophobicContact CG-CG2 4.36Å; L311-V318 HydrophobicContact CD2-CG2 4.16Å; L311-V318 HydrophobicContact CG-CG2 3.9Å |
| 319 | V | 92.7 | Very high | 74.5 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 113.4 | 169.7 | -167.3 | 0 | 0 | 0 | 0 | 109.2 | L213 A215 W229 F232 P246 T247 V249 R321 | L213-V319 HydrophobicContact CB-CG1 4.39Å; L213-V319 HydrophobicContact CB-CG2 4.26Å; L213-V319 HydrophobicContact CD1-CG2 4.43Å; L213-V319 WeakPolarHBondContact O-CA 3.22Å; A215-V319 HydrophobicContact CB-CG1 3.86Å; W229-V319 HydrophobicContact CH2-CG1 4.14Å; F232-V319 HydrophobicContact CE1-CG1 4.18Å; F232-V319 HydrophobicContact CE1-CG2 3.63Å; F232-V319 HydrophobicContact CZ-CG1 4.47Å; F232-V319 HydrophobicContact CZ-CG2 3.75Å; P246-V319 HydrophobicContact CB-CG2 3.95Å; P246-V319 HydrophobicContact CG-CG2 4.28Å; T247-V319 PolarHBondContact O-N 2.78Å; V249-V319 PolarHBondContact N-O 3.25Å; V319-R321 PolarHBondContact O-N 3.16Å |
| 320 | I | 90.3 | Very high | 71.7 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 14% | 0.138 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 114.4 | 169.2 | -64.5 | 176.2 | 0 | 0 | 0 | 108.2 | L212 L213 R214 A215 V249 V251 | L212-I320 HydrophobicContact CD1-CD1 3.88Å; L212-I320 HydrophobicContact CD1-CG1 3.97Å; L212-I320 HydrophobicContact CD2-CD1 4.5Å; L213-I320 PolarHBondContact O-N 3.01Å; R214-I320 VanDerWaalsContact CA-O 3.27Å; R214-I320 WeakPolarHBondContact CA-O 3.17Å; A215-I320 PolarHBondContact N-O 3.14Å; V249-I320 WeakPolarHBondContact O-CA 3.48Å; V251-I320 HydrophobicContact CG2-CG2 3.59Å |
| 321 | R | 85.9 | Confident | 68.9 | Low | 64 Ų | 64 | 59.8 Ų | 59.8 | 24% | 0.242 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126.3 | -179 | -169.6 | 160.2 | 71.6 | 171.3 | -0.2 | 111.3 | A215 P217 I248 V249 E250 V251 V319 | A215-R321 WeakPolarHBondContact O-CA 3.32Å; P217-R321 HydrophobicContact CB-CG 4.1Å; I248-R321 HydrophobicContact CG2-CB 3.77Å; V249-R321 PolarHBondContact O-N 3.1Å; E250-R321 IonicContact OE1-CZ 3.68Å; E250-R321 IonicContact OE1-NE 2.7Å; E250-R321 PolarHBondContact OE1-NE 3.47Å; E250-R321 IonicContact OE1-NH2 2.59Å; E250-R321 PolarHBondContact OE1-NH2 3.17Å; E250-R321 IonicContact OE2-NE 3.26Å; V251-R321 WeakPolarHBondContact CG2-O 3.35Å; V251-R321 PolarHBondContact N-O 3.01Å; V319-R321 PolarHBondContact O-N 3.16Å |
| 322 | G | 72 | Confident | 66.4 | Low | 22 Ų | 22 | 61.3 Ų | 61.3 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 165.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A215 P217 | A215-G322 PolarHBondContact O-N 3.25Å; P217-G322 WeakPolarHBondContact CD-O 3.5Å; P217-G322 WeakPolarHBondContact CG-O 3.47Å |
| 323 | G | 62.6 | Low | 63.6 | Low | 49 Ų | 49 | 64.3 Ų | 64.3 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 144.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K325 | G323-K325 VanDerWaalsContact C-N 3.25Å; G323-K325 PolarHBondContact O-N 2.98Å; G323-K325 VanDerWaalsContact O-N 3.13Å |
| 324 | A | 50.1 | Low | 61 | Low | 48 Ų | 48 | 63.5 Ų | 63.5 | 40% | 0.397 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -63.1 | -18.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S195 P217 | S195-A324 VanDerWaalsContact CB-O 3.22Å; S195-A324 WeakPolarHBondContact CB-O 3.47Å; S195-A324 WeakPolarHBondContact OG-CA 3.44Å; S195-A324 PolarHBondContact OG-O 3.17Å; P217-A324 HydrophobicContact CG-CB 3.7Å |
| 325 | K | 50.7 | Low | 58.6 | Low | 179 Ų | 179 | 63.2 Ų | 63.2 | 78% | 0.778 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -90 | 138.5 | 175.3 | -67.1 | -164.7 | 176.2 | -172.4 | 0 | 110.8 | G323 C327 | G323-K325 VanDerWaalsContact C-N 3.25Å; G323-K325 PolarHBondContact O-N 2.98Å; G323-K325 VanDerWaalsContact O-N 3.13Å; K325-C327 PolarHBondContact O-N 2.78Å; K325-C327 PolarHBondContact O-SG 3.5Å |
| 326 | P | 39.4 | Very low | 55.8 | Low | 89 Ų | 89 | 61.5 Ų | 61.5 | 58% | 0.578 | 32% | 0.322 | S | S | * | . | trans | -60.2 | 90.4 | -172.1 | 22.9 | -34.8 | 0 | 0 | 0 | 112.7 | S196 R328 | S196-P326 WeakPolarHBondContact OG-CB 3.44Å; P326-R328 PolarHBondContact O-N 3.49Å | ||
| 327 | C | 34.4 | Very low | 52.8 | Low | 46 Ų | 46 | 62.6 Ų | 62.6 | 31% | 0.311 | 33% | 0.328 | S | S | . | . | trans | -71.2 | 83.2 | 165 | -64.4 | 0 | 0 | 0 | 0 | 107.8 | A255 K325 V329 V330 | A255-C327 HydrophobicContact CB-CB 4.1Å; K325-C327 PolarHBondContact O-N 2.78Å; K325-C327 PolarHBondContact O-SG 3.5Å; C327-V329 PolarHBondContact O-N 2.98Å; C327-V330 HydrophobicContact CB-CB 4.16Å; C327-V330 HydrophobicContact CB-CG2 3.94Å; C327-V330 PolarHBondContact O-N 3.46Å | ||
| 328 | R | 37.8 | Very low | 49.5 | Very low | 178 Ų | 178 | 71.5 Ų | 71.5 | 67% | 0.672 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 106.2 | 171.2 | -70.5 | -173.9 | 179.6 | -172.5 | 1.1 | 107.7 | P326 | P326-R328 PolarHBondContact O-N 3.49Š|
| 329 | V | 33.3 | Very low | 46.3 | Very low | 58 Ų | 58 | 76.1 Ų | 76.1 | 35% | 0.352 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 45.3 | 176.6 | -155.1 | 0 | 0 | 0 | 0 | 115.6 | C327 Y331 A356 | C327-V329 PolarHBondContact O-N 2.98Å; V329-Y331 HydrophobicContact CB-CD2 4.27Å; V329-Y331 HydrophobicContact CB-CE2 4.37Å; V329-Y331 HydrophobicContact CG1-CD2 3.62Å; V329-Y331 HydrophobicContact CG1-CE2 3.94Å; V329-Y331 HydrophobicContact CG2-CE2 4.46Å; V329-Y331 PolarHBondContact O-N 3.28Å; V329-A356 HydrophobicContact CG1-CB 3.94Å |
| 330 | V | 31.3 | Very low | 43.1 | Very low | 34 Ų | 34 | 85.6 Ų | 85.6 | 21% | 0.206 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 92.4 | 143 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | A255 C327 F332 | A255-V330 HydrophobicContact CB-CG2 4.36Å; C327-V330 HydrophobicContact CB-CB 4.16Å; C327-V330 HydrophobicContact CB-CG2 3.94Å; C327-V330 PolarHBondContact O-N 3.46Å; V330-F332 HydrophobicContact CG1-CE2 4.15Å |
| 331 | Y | 34.3 | Very low | 39.9 | Very low | 80 Ų | 80 | 87.9 Ų | 87.9 | 31% | 0.314 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 123.9 | 164.6 | -74.3 | -107 | 0 | 0 | 0 | 108.3 | R198 R214 V329 Q333 | R198-Y331 PolarHBondContact NH2-OH 3.47Å; R214-Y331 VanDerWaalsContact NH1-CD1 3.25Å; V329-Y331 HydrophobicContact CB-CD2 4.27Å; V329-Y331 HydrophobicContact CB-CE2 4.37Å; V329-Y331 HydrophobicContact CG1-CD2 3.62Å; V329-Y331 HydrophobicContact CG1-CE2 3.94Å; V329-Y331 HydrophobicContact CG2-CE2 4.46Å; V329-Y331 PolarHBondContact O-N 3.28Å; Y331-Q333 PolarHBondContact O-N 2.89Å |
| 332 | F | 33.7 | Very low | 37 | Very low | 46 Ų | 46 | 93.6 Ų | 93.6 | 20% | 0.202 | 50% | 0.496 | C | S | . | . | trans | -69.4 | 70.3 | 149.6 | -70.4 | -92 | 0 | 0 | 0 | 107.3 | V251 V330 K334 I335 V353 | V251-F332 HydrophobicContact CB-CE2 4.29Å; V251-F332 HydrophobicContact CG1-CE2 3.73Å; V251-F332 HydrophobicContact CG1-CZ 4.07Å; V251-F332 HydrophobicContact CG2-CD2 4.28Å; V251-F332 HydrophobicContact CG2-CE2 3.58Å; V251-F332 HydrophobicContact CG2-CZ 4.35Å; V330-F332 HydrophobicContact CG1-CE2 4.15Å; F332-K334 PolarHBondContact O-N 2.82Å; F332-I335 HydrophobicContact CD1-CD1 3.69Å; F332-I335 HydrophobicContact CD1-CG1 4.22Å; F332-I335 HydrophobicContact CE1-CD1 4.21Å; F332-V353 HydrophobicContact CD1-CG2 4.01Å; F332-V353 HydrophobicContact CE1-CG2 4.21Å | ||
| 333 | Q | 29.7 | Very low | 34.8 | Very low | 153 Ų | 153 | 100.8 Ų | 100.8 | 72% | 0.715 | 53% | 0.528 | S | S | * | . | trans | -79.6 | 52.6 | 177.9 | -161.3 | 174.3 | 21.8 | 0 | 0 | 109.8 | Y331 L352 | Y331-Q333 PolarHBondContact O-N 2.89Å; Q333-L352 CarbonylContact C-O 3.46Å | ||
| 334 | K | 35.8 | Very low | 33.1 | Very low | 73 Ų | 73 | 101.9 Ų | 101.9 | 32% | 0.317 | 54% | 0.539 | S | S | . | . | trans | 125.7 | 173.8 | -176.9 | -47 | 162.2 | 155.6 | 167.9 | 0 | 112.2 | E146 F332 L351 L352 | E146-K334 IonicContact OE1-NZ 2.76Å; E146-K334 PolarHBondContact OE1-NZ 2.9Å; F332-K334 PolarHBondContact O-N 2.82Å; K334-L351 VanDerWaalsContact CB-CA 3.46Å; K334-L351 HydrophobicContact CB-CB 3.58Å; K334-L351 HydrophobicContact CB-CD1 3.61Å; K334-L351 HydrophobicContact CB-CG 3.27Å; K334-L351 HydrophobicContact CD-CD1 3.7Å; K334-L351 HydrophobicContact CD-CG 4.37Å; K334-L351 HydrophobicContact CG-CB 4.45Å; K334-L351 HydrophobicContact CG-CD1 3.43Å; K334-L351 VanDerWaalsContact CG-CD1 3.43Å; K334-L351 HydrophobicContact CG-CG 3.65Å; K334-L352 CarbonylContact C-O 3.59Å; K334-L352 VanDerWaalsContact C-O 3.29Å; K334-L352 WeakPolarHBondContact CA-O 3.38Å; K334-L352 PolarHBondContact N-O 2.67Å; K334-L352 CarbonylContact O-C 3.57Å; K334-L352 VanDerWaalsContact O-C 3.31Å | ||
| 335 | I | 44.5 | Very low | 31.9 | Very low | 31 Ų | 31 | 111.5 Ų | 111.5 | 16% | 0.159 | 57% | 0.566 | C | S | . | * | trans | -168.2 | 96.3 | 150.4 | -33.9 | -179.5 | 0 | 0 | 0 | 115.4 | C304 F332 L351 V353 | C304-I335 HydrophobicContact CB-CD1 4.02Å; C304-I335 HydrophobicContact CB-CG2 4.47Å; C304-I335 WeakPolarHBondContact SG-CD1 3Å; F332-I335 HydrophobicContact CD1-CD1 3.69Å; F332-I335 HydrophobicContact CD1-CG1 4.22Å; F332-I335 HydrophobicContact CE1-CD1 4.21Å; I335-L351 CarbonylContact C-O 3.48Å; I335-L351 HydrophobicContact CB-CD2 4.16Å; I335-L351 WeakPolarHBondContact O-CB 3.13Å; I335-L351 WeakPolarHBondContact O-CD2 3.19Å; I335-V353 HydrophobicContact CB-CG2 4.31Å; I335-V353 HydrophobicContact CD1-CG2 4.08Å; I335-V353 HydrophobicContact CG1-CG2 3.74Å; I335-V353 HydrophobicContact CG2-CG2 3.98Å | ||
| 336 | T | 32.4 | Very low | 30.7 | Very low | 68 Ų | 68 | 107.2 Ų | 107.2 | 42% | 0.417 | 56% | 0.557 | S | S | . | * | trans | -76.9 | 132.9 | 179.8 | -50.9 | 0 | 0 | 0 | 0 | 108.6 | L351 | T336-L351 WeakPolarHBondContact CA-O 3.3Å; T336-L351 WeakPolarHBondContact CB-O 3.42Å; T336-L351 PolarHBondContact N-O 2.76Å; T336-L351 PolarHBondContact OG1-N 2.86Å; T336-L351 PolarHBondContact OG1-O 3.45Å | ||
| 337 | I | 31.1 | Very low | 30.2 | Very low | 68 Ų | 68 | 110.7 Ų | 110.7 | 35% | 0.349 | 57% | 0.565 | S | S | . | * | trans | -122.5 | 125.2 | 167.2 | -73.4 | 172.8 | 0 | 0 | 0 | 108.7 | C304 L305 I308 S339 | C304-I337 HydrophobicContact CB-CD1 4.14Å; L305-I337 HydrophobicContact CD2-CD1 4.39Å; I308-I337 HydrophobicContact CD1-CB 4.14Å; I308-I337 HydrophobicContact CD1-CD1 3.62Å; I308-I337 HydrophobicContact CD1-CG1 4.38Å; I308-I337 HydrophobicContact CD1-CG2 4.39Å; I337-S339 PolarHBondContact O-N 3.42Å | ||
| 338 | F | 24.6 | Very low | 29.8 | Very low | 189 Ų | 189 | 114.2 Ų | 114.2 | 83% | 0.829 | 58% | 0.581 | S | S | * | * | trans | -70.6 | 119.6 | 174.7 | -90.8 | -93.7 | 0 | 0 | 0 | 109.7 | ||||
| 339 | S | 27 | Very low | 29.3 | Very low | 97 Ų | 97 | 110.6 Ų | 110.6 | 68% | 0.678 | 57% | 0.571 | S | S | * | * | trans | -107.1 | 106 | 156.7 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | I337 A341 | I337-S339 PolarHBondContact O-N 3.42Å; S339-A341 PolarHBondContact O-N 3.3Å; S339-A341 VanDerWaalsContact O-N 3.17Å; S339-A341 WeakPolarHBondContact OG-CB 3.2Å; S339-A341 PolarHBondContact OG-N 2.57Å | ||
| 340 | Q | 23.7 | Very low | 29.2 | Very low | 198 Ų | 198 | 116 Ų | 116 | 93% | 0.925 | 59% | 0.587 | S | S | * | * | trans | -82.7 | 66.2 | 159 | -82.3 | -161.1 | -22 | 0 | 0 | 109.2 | ||||
| 341 | A | 25 | Very low | 29.6 | Very low | 75 Ų | 75 | 117 Ų | 117 | 62% | 0.62 | 59% | 0.59 | S | S | * | * | trans | -107.7 | 144 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | S339 | S339-A341 PolarHBondContact O-N 3.3Å; S339-A341 VanDerWaalsContact O-N 3.17Å; S339-A341 WeakPolarHBondContact OG-CB 3.2Å; S339-A341 PolarHBondContact OG-N 2.57Å | ||
| 342 | Q | 24.9 | Very low | 29.5 | Very low | 185 Ų | 185 | 118.7 Ų | 118.7 | 86% | 0.864 | 60% | 0.604 | S | S | * | * | trans | -75.7 | 170.4 | -169.6 | -63.1 | -178.4 | -58.4 | 0 | 0 | 113.4 | ||||
| 343 | L | 25.8 | Very low | 29.4 | Very low | 172 Ų | 172 | 119.3 Ų | 119.3 | 90% | 0.901 | 61% | 0.612 | S | S | * | * | trans | 79.3 | 97 | 165.8 | -56.8 | 167.4 | 0 | 0 | 0 | 117.3 | ||||
| 344 | G | 25.5 | Very low | 29.3 | Very low | 72 Ų | 72 | 116.3 Ų | 116.3 | 74% | 0.742 | 60% | 0.603 | S | S | * | * | S | Bend | 77.9 | 104.5 | 128.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||
| 345 | R | 25.4 | Very low | 28.9 | Very low | 251 Ų | 251 | 114.8 Ų | 114.8 | 95% | 0.947 | 61% | 0.605 | S | S | * | * | trans | 61.9 | 62.3 | 156.7 | -55.5 | -177.3 | 178.4 | -170.8 | 0.7 | 117.1 | ||||
| 346 | C | 26.3 | Very low | 27.9 | Very low | 89 Ų | 89 | 114.9 Ų | 114.9 | 60% | 0.601 | 61% | 0.61 | S | S | * | * | trans | -144.9 | 112.9 | 148.3 | -104.1 | 0 | 0 | 0 | 0 | 110.3 | L348 | C346-L348 PolarHBondContact O-N 2.77Š| ||
| 347 | E | 27.5 | Very low | 27.6 | Very low | 161 Ų | 161 | 114.7 Ų | 114.7 | 75% | 0.752 | 61% | 0.606 | S | S | * | * | trans | -74.1 | 82.8 | 158.6 | -79.4 | -163.5 | -163.5 | 0 | 0 | 108.4 | H349 | E347-H349 HydrophobicContact CB-CB 4.33Å; E347-H349 PolarHBondContact O-N 3.28Å; E347-H349 IonicContact OE2-CE1 2.8Å; E347-H349 PolarHBondContact OE2-CE1 2.87Å; E347-H349 IonicContact OE2-CG 2.74Å; E347-H349 IonicContact OE2-ND1 3.49Å; E347-H349 PolarHBondContact OE2-ND1 3.25Å | ||
| 348 | L | 25.9 | Very low | 27.3 | Very low | 121 Ų | 121 | 119.9 Ų | 119.9 | 63% | 0.634 | 62% | 0.623 | S | S | * | * | trans | -74.7 | 63.6 | 169.9 | -111.5 | 158.4 | 0 | 0 | 0 | 109.1 | C346 | C346-L348 PolarHBondContact O-N 2.77Š| ||
| 349 | H | 27.6 | Very low | 27.2 | Very low | 102 Ų | 102 | 113.9 Ų | 113.9 | 47% | 0.472 | 61% | 0.613 | S | S | . | * | trans | -91 | 137.2 | -164.2 | -123.9 | 143.8 | 0 | 0 | 0 | 111.6 | E347 | E347-H349 HydrophobicContact CB-CB 4.33Å; E347-H349 PolarHBondContact O-N 3.28Å; E347-H349 IonicContact OE2-CE1 2.8Å; E347-H349 PolarHBondContact OE2-CE1 2.87Å; E347-H349 IonicContact OE2-CG 2.74Å; E347-H349 IonicContact OE2-ND1 3.49Å; E347-H349 PolarHBondContact OE2-ND1 3.25Å | ||
| 350 | Y | 30.5 | Very low | 27.1 | Very low | 172 Ų | 172 | 113.8 Ų | 113.8 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | trans | 61.1 | 160.4 | -171.2 | -44.7 | -71.5 | 0 | 0 | 0 | 112.9 | ||||
| 351 | L | 41.4 | Very low | 27.1 | Very low | 53 Ų | 53 | 108.6 Ų | 108.6 | 28% | 0.277 | 59% | 0.588 | S | S | . | * | 178.7 | 153 | 124.4 | -157.1 | 95.9 | 0 | 0 | 0 | 99.5 | K334 I335 T336 | K334-L351 VanDerWaalsContact CB-CA 3.46Å; K334-L351 HydrophobicContact CB-CB 3.58Å; K334-L351 HydrophobicContact CB-CD1 3.61Å; K334-L351 HydrophobicContact CB-CG 3.27Å; K334-L351 HydrophobicContact CD-CD1 3.7Å; K334-L351 HydrophobicContact CD-CG 4.37Å; K334-L351 HydrophobicContact CG-CB 4.45Å; K334-L351 HydrophobicContact CG-CD1 3.43Å; K334-L351 VanDerWaalsContact CG-CD1 3.43Å; K334-L351 HydrophobicContact CG-CG 3.65Å; I335-L351 CarbonylContact C-O 3.48Å; I335-L351 HydrophobicContact CB-CD2 4.16Å; I335-L351 WeakPolarHBondContact O-CB 3.13Å; I335-L351 WeakPolarHBondContact O-CD2 3.19Å; T336-L351 WeakPolarHBondContact CA-O 3.3Å; T336-L351 WeakPolarHBondContact CB-O 3.42Å; T336-L351 PolarHBondContact N-O 2.76Å; T336-L351 PolarHBondContact OG1-N 2.86Å; T336-L351 PolarHBondContact OG1-O 3.45Å | |||
| 352 | L | 30.9 | Very low | 27 | Very low | 116 Ų | 116 | 112.9 Ų | 112.9 | 61% | 0.607 | 60% | 0.596 | S | S | * | * | trans | -150.2 | 146.8 | 170.4 | -159.3 | 129.5 | 0 | 0 | 0 | 115.5 | Q333 K334 V354 | Q333-L352 CarbonylContact C-O 3.46Å; K334-L352 CarbonylContact C-O 3.59Å; K334-L352 VanDerWaalsContact C-O 3.29Å; K334-L352 WeakPolarHBondContact CA-O 3.38Å; K334-L352 PolarHBondContact N-O 2.67Å; K334-L352 CarbonylContact O-C 3.57Å; K334-L352 VanDerWaalsContact O-C 3.31Å; L352-V354 HydrophobicContact CD2-CG2 3.69Å | ||
| 353 | V | 31.2 | Very low | 26.9 | Very low | 60 Ų | 60 | 109.1 Ų | 109.1 | 36% | 0.364 | 59% | 0.59 | S | S | . | * | trans | -91.2 | 124.6 | 176 | 178.6 | 0 | 0 | 0 | 0 | 112 | F332 I335 | F332-V353 HydrophobicContact CD1-CG2 4.01Å; F332-V353 HydrophobicContact CE1-CG2 4.21Å; I335-V353 HydrophobicContact CB-CG2 4.31Å; I335-V353 HydrophobicContact CD1-CG2 4.08Å; I335-V353 HydrophobicContact CG1-CG2 3.74Å; I335-V353 HydrophobicContact CG2-CG2 3.98Å | ||
| 354 | V | 27.5 | Very low | 26.6 | Very low | 89 Ų | 89 | 107.1 Ų | 107.1 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.6 | 112.3 | 167 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | L352 A356 | L352-V354 HydrophobicContact CD2-CG2 3.69Å; V354-A356 VanDerWaalsContact C-N 3.34Å; V354-A356 HydrophobicContact CG1-CB 4.4Å; V354-A356 PolarHBondContact O-N 3.12Å; V354-A356 VanDerWaalsContact O-N 3.08Å |
| 355 | A | 27.4 | Very low | 26.7 | Very low | 42 Ų | 42 | 115 Ų | 115 | 35% | 0.347 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.9 | 79.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V258 L357 | V258-A355 HydrophobicContact CG1-CB 4.05Å; A355-L357 VanDerWaalsContact C-N 3.3Å; A355-L357 PolarHBondContact O-N 3.14Å |
| 356 | A | 24.4 | Very low | 26.7 | Very low | 32 Ų | 32 | 108.2 Ų | 108.2 | 26% | 0.264 | 59% | 0.588 | S | S | . | * | trans | -76.1 | 75.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V329 V354 Y358 | V329-A356 HydrophobicContact CG1-CB 3.94Å; V354-A356 VanDerWaalsContact C-N 3.34Å; V354-A356 HydrophobicContact CG1-CB 4.4Å; V354-A356 PolarHBondContact O-N 3.12Å; V354-A356 VanDerWaalsContact O-N 3.08Å; A356-Y358 PolarHBondContact O-N 3.31Å | ||
| 357 | L | 25.6 | Very low | 26.8 | Very low | 64 Ų | 64 | 109.2 Ų | 109.2 | 34% | 0.335 | 59% | 0.587 | S | S | . | * | trans | -68.8 | 86.7 | 179.3 | -69.5 | 170.7 | 0 | 0 | 0 | 112.7 | A255 V258 A259 A355 | A255-L357 HydrophobicContact CB-CD2 3.8Å; V258-L357 HydrophobicContact CB-CD1 4.1Å; V258-L357 HydrophobicContact CG1-CD1 3.82Å; A259-L357 HydrophobicContact CB-CD1 3.83Å; A355-L357 VanDerWaalsContact C-N 3.3Å; A355-L357 PolarHBondContact O-N 3.14Å | ||
| 358 | Y | 24.8 | Very low | 26.7 | Very low | 178 Ų | 178 | 106.3 Ų | 106.3 | 70% | 0.698 | 58% | 0.578 | S | S | * | * | trans | -89.5 | 101.3 | 163.8 | -81.8 | -90.1 | 0 | 0 | 0 | 110.4 | A356 | A356-Y358 PolarHBondContact O-N 3.31Š| ||
| 359 | G | 23.3 | Very low | 26.8 | Very low | 62 Ų | 62 | 105.4 Ų | 105.4 | 64% | 0.639 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 153.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 360 | P | 23.8 | Very low | 26.7 | Very low | 96 Ų | 96 | 105.6 Ų | 105.6 | 62% | 0.623 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 139.7 | 172.6 | 30.4 | -33.5 | 0 | 0 | 0 | 110.4 | Q362 | P360-Q362 PolarHBondContact O-N 3.14Š|
| 361 | I | 24.8 | Very low | 26.5 | Very low | 88 Ų | 88 | 101.2 Ų | 101.2 | 45% | 0.451 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 131.9 | 154 | -64.2 | 158.8 | 0 | 0 | 0 | 106.5 | P108 S363 | P108-I361 VanDerWaalsContact O-CD1 3.26Å; P108-I361 WeakPolarHBondContact O-CD1 3.44Å; I361-S363 VanDerWaalsContact C-N 3.3Å; I361-S363 PolarHBondContact O-N 3.01Å |
| 362 | Q | 22 | Very low | 25.4 | Very low | 166 Ų | 166 | 104.6 Ų | 104.6 | 78% | 0.776 | 60% | 0.596 | S | S | * | * | trans | -72.3 | 88.1 | 171.5 | -79.6 | -173.7 | -42.6 | 0 | 0 | 109.8 | P360 N364 | P360-Q362 PolarHBondContact O-N 3.14Å; Q362-N364 PolarHBondContact O-N 3.14Å | ||
| 363 | S | 22.6 | Very low | 25 | Very low | 106 Ų | 106 | 103.8 Ų | 103.8 | 74% | 0.741 | 60% | 0.595 | S | S | * | * | trans | -71.7 | 86.1 | 155 | 58.6 | 0 | 0 | 0 | 0 | 108.1 | I361 N365 | I361-S363 VanDerWaalsContact C-N 3.3Å; I361-S363 PolarHBondContact O-N 3.01Å; S363-N365 PolarHBondContact O-N 2.9Å | ||
| 364 | N | 20.4 | Very low | 24.4 | Very low | 129 Ų | 129 | 107.4 Ų | 107.4 | 69% | 0.69 | 61% | 0.614 | S | S | * | * | trans | -67.3 | 114.4 | 167.5 | -77.2 | -8.7 | 0 | 0 | 0 | 108.6 | Q362 | Q362-N364 PolarHBondContact O-N 3.14Š| ||
| 365 | N | 27 | Very low | 24.2 | Very low | 237 Ų | 237 | 109.1 Ų | 109.1 | 100% | 1.267 | 62% | 0.621 | S | S | * | * | trans | -154.8 | 0 | 161.5 | -90.2 | -23.8 | 0 | 0 | 0 | 106.5 | S363 | S363-N365 PolarHBondContact O-N 2.9Š|
Retrieved 365 of 365 residues in 316 ms
(Link to these results)