| 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 | A | 60.8 | Low | 87.9 | Confident | 139 Ų | 139 | 86.1 Ų | 86.1 | 100% | 1.149 | 49% | 0.485 | S | S | * | . | 0 | 145 | 0 | 0 | 0 | 0 | 0 | 0 | 109.2 | K3 | A1-K3 PolarHBondContact O-N 3.47Š| |||
| 2 | A | 76.3 | Confident | 88.7 | Confident | 92 Ų | 92 | 79 Ų | 79 | 76% | 0.76 | 45% | 0.445 | S | S | * | . | trans | -60.2 | 133.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | P4 | A2-P4 WeakPolarHBondContact O-CD 3.17Š| ||
| 3 | K | 89.6 | Confident | 89.3 | Confident | 134 Ų | 134 | 78.8 Ų | 78.8 | 58% | 0.583 | 44% | 0.437 | S | S | * | . | trans | -102.2 | 72.7 | -179.8 | -62.7 | -175.9 | 178.3 | -175.3 | 0 | 108.9 | A1 W5 T6 | A1-K3 PolarHBondContact O-N 3.47Å; K3-W5 HydrophobicContact CB-CD2 4.39Å; K3-W5 HydrophobicContact CB-CH2 4.4Å; K3-W5 HydrophobicContact CB-CZ2 3.81Å; K3-W5 HydrophobicContact CD-CZ2 4.34Å; K3-W5 HydrophobicContact CG-CH2 4.36Å; K3-W5 HydrophobicContact CG-CZ2 3.76Å; K3-W5 PolarHBondContact O-N 3.26Å; K3-T6 HydrophobicContact CB-CG2 3.81Å; K3-T6 PolarHBondContact O-N 3.4Å; K3-T6 VanDerWaalsContact O-N 3.08Å; K3-T6 PolarHBondContact O-OG1 3.09Å | ||
| 4 | P | 92.5 | Very high | 90 | Very high | 43 Ų | 43 | 79.6 Ų | 79.6 | 28% | 0.279 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -60.3 | -30.8 | -169.4 | 25 | -36.3 | 0 | 0 | 0 | 113.5 | A2 T6 K7 Y11 | A2-P4 WeakPolarHBondContact O-CD 3.17Å; P4-T6 PolarHBondContact O-N 3.23Å; P4-T6 VanDerWaalsContact O-N 3.09Å; P4-K7 WeakPolarHBondContact O-CB 3.37Å; P4-K7 PolarHBondContact O-N 3.41Å; P4-Y11 HydrophobicContact CB-CD2 4.38Å; P4-Y11 HydrophobicContact CB-CE1 4.43Å; P4-Y11 HydrophobicContact CB-CE2 3.86Å; P4-Y11 HydrophobicContact CG-CE1 3.88Å; P4-Y11 HydrophobicContact CG-CE2 4.12Å |
| 5 | W | 92.3 | Very high | 90.5 | Very high | 35 Ų | 35 | 74.3 Ų | 74.3 | 13% | 0.133 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -61 | -14.1 | 176 | 56.2 | 85.5 | 0 | 0 | 0 | 114.4 | K3 K7 D8 Y11 F12 E123 P124 | K3-W5 HydrophobicContact CB-CD2 4.39Å; K3-W5 HydrophobicContact CB-CH2 4.4Å; K3-W5 HydrophobicContact CB-CZ2 3.81Å; K3-W5 HydrophobicContact CD-CZ2 4.34Å; K3-W5 HydrophobicContact CG-CH2 4.36Å; K3-W5 HydrophobicContact CG-CZ2 3.76Å; K3-W5 PolarHBondContact O-N 3.26Å; W5-K7 PolarHBondContact O-N 3.46Å; W5-D8 VanDerWaalsContact O-O 3.09Å; W5-Y11 HydrophobicContact CB-CD1 4.03Å; W5-Y11 HydrophobicContact CB-CG 4.34Å; W5-F12 HydrophobicContact CB-CD2 4.47Å; W5-F12 HydrophobicContact CB-CE2 3.83Å; W5-F12 HydrophobicContact CB-CZ 4.43Å; W5-F12 HydrophobicContact CD2-CE2 4.33Å; W5-F12 HydrophobicContact CD2-CZ 4.33Å; W5-F12 HydrophobicContact CE3-CE2 4.27Å; W5-F12 AromaticContact CE3-CZ 3.83Å; W5-F12 HydrophobicContact CE3-CZ 3.83Å; W5-F12 HydrophobicContact CG-CE2 4.17Å; W5-F12 HydrophobicContact CZ3-CZ 4.47Å; W5-E123 HydrophobicContact CG-CG 4.47Å; W5-P124 HydrophobicContact CH2-CG 4.33Å; W5-P124 HydrophobicContact CZ2-CG 4.49Å |
| 6 | T | 90.9 | Very high | 91 | Very high | 91 Ų | 91 | 75.3 Ų | 75.3 | 56% | 0.558 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -75.9 | -12.2 | 173.8 | 67.7 | 0 | 0 | 0 | 0 | 113 | K3 P4 | K3-T6 HydrophobicContact CB-CG2 3.81Å; K3-T6 PolarHBondContact O-N 3.4Å; K3-T6 VanDerWaalsContact O-N 3.08Å; K3-T6 PolarHBondContact O-OG1 3.09Å; P4-T6 PolarHBondContact O-N 3.23Å; P4-T6 VanDerWaalsContact O-N 3.09Å |
| 7 | K | 91.9 | Very high | 91.5 | Very high | 187 Ų | 187 | 70.8 Ų | 70.8 | 81% | 0.813 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -23.4 | 179.8 | -60.9 | -175.6 | 179.3 | -177 | 0 | 112.9 | P4 W5 | P4-K7 WeakPolarHBondContact O-CB 3.37Å; P4-K7 PolarHBondContact O-N 3.41Å; W5-K7 PolarHBondContact O-N 3.46Å |
| 8 | D | 92.1 | Very high | 91.8 | Very high | 69 Ų | 69 | 67.5 Ų | 67.5 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | trans | -145 | 116.5 | -177.6 | -179.2 | 4.3 | 0 | 0 | 0 | 109.6 | W5 H10 Y11 | W5-D8 VanDerWaalsContact O-O 3.09Å; D8-H10 PolarHBondContact O-N 2.95Å; D8-H10 PolarHBondContact OD1-N 3.17Å; D8-Y11 WeakPolarHBondContact O-CB 3.46Å; D8-Y11 PolarHBondContact O-N 3.39Å | ||
| 9 | H | 90.9 | Very high | 92 | Very high | 67 Ų | 67 | 65.2 Ų | 65.2 | 31% | 0.31 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -14.8 | 179.7 | -58.7 | 154 | 0 | 0 | 0 | 113 | P150 Y153 Y182 | H9-P150 HydrophobicContact CB-CG 4.49Å; H9-Y153 HydrophobicContact CB-CE2 4.49Å; H9-Y153 AromaticContact ND1-CD2 3.24Å; H9-Y153 WeakPolarHBondContact ND1-CD2 3.42Å; H9-Y153 AromaticContact ND1-CE2 3.73Å; H9-Y153 AromaticContact ND1-CG 3.64Å; H9-Y182 PolarHBondContact O-OH 3.37Å |
| 10 | H | 92.9 | Very high | 92.1 | Very high | 46 Ų | 46 | 66.6 Ų | 66.6 | 21% | 0.213 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 22.1 | 175.5 | -147.5 | 87.2 | 0 | 0 | 0 | 112.1 | D8 F12 Y149 Y182 | D8-H10 PolarHBondContact O-N 2.95Å; D8-H10 PolarHBondContact OD1-N 3.17Å; H10-F12 PolarHBondContact O-N 3.37Å; H10-Y149 PolarHBondContact ND1-OH 3.33Å; H10-Y182 AromaticContact CE1-CD2 3.56Å; H10-Y182 AromaticContact CE1-CG 3.63Å; H10-Y182 AromaticContact ND1-CD1 3.89Å; H10-Y182 AromaticContact ND1-CD2 3.94Å; H10-Y182 AromaticContact ND1-CG 3.82Å |
| 11 | Y | 96.3 | Very high | 92.4 | Very high | 44 Ų | 44 | 63.4 Ų | 63.4 | 17% | 0.173 | 34% | 0.342 | C | S | . | . | trans | -59.2 | -42.5 | 178.7 | 178 | -101.6 | 0 | 0 | 0 | 113.4 | P4 W5 D8 G47 E48 | P4-Y11 HydrophobicContact CB-CD2 4.38Å; P4-Y11 HydrophobicContact CB-CE1 4.43Å; P4-Y11 HydrophobicContact CB-CE2 3.86Å; P4-Y11 HydrophobicContact CG-CE1 3.88Å; P4-Y11 HydrophobicContact CG-CE2 4.12Å; W5-Y11 HydrophobicContact CB-CD1 4.03Å; W5-Y11 HydrophobicContact CB-CG 4.34Å; D8-Y11 WeakPolarHBondContact O-CB 3.46Å; D8-Y11 PolarHBondContact O-N 3.39Å; Y11-G47 VanDerWaalsContact CE1-O 3.24Å; Y11-G47 WeakPolarHBondContact CE1-O 3.21Å; Y11-G47 VanDerWaalsContact OH-C 3.28Å; Y11-G47 PolarHBondContact OH-O 3.38Å; Y11-E48 HydrophobicContact CD2-CG 4.39Å; Y11-E48 HydrophobicContact CE2-CG 4.06Å; Y11-E48 VanDerWaalsContact O-CB 3.25Å; Y11-E48 WeakPolarHBondContact O-CB 3.43Å; Y11-E48 VanDerWaalsContact O-CG 3.31Å; Y11-E48 WeakPolarHBondContact O-CG 3.4Å | ||
| 12 | F | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | trans | -86.2 | 118.5 | 179.6 | -68 | -66.9 | 0 | 0 | 0 | 110 | W5 H10 V45 E48 M50 P124 Y182 L184 | W5-F12 HydrophobicContact CB-CD2 4.47Å; W5-F12 HydrophobicContact CB-CE2 3.83Å; W5-F12 HydrophobicContact CB-CZ 4.43Å; W5-F12 HydrophobicContact CD2-CE2 4.33Å; W5-F12 HydrophobicContact CD2-CZ 4.33Å; W5-F12 HydrophobicContact CE3-CE2 4.27Å; W5-F12 AromaticContact CE3-CZ 3.83Å; W5-F12 HydrophobicContact CE3-CZ 3.83Å; W5-F12 HydrophobicContact CG-CE2 4.17Å; W5-F12 HydrophobicContact CZ3-CZ 4.47Å; H10-F12 PolarHBondContact O-N 3.37Å; F12-V45 HydrophobicContact CE1-CB 4.29Å; F12-V45 HydrophobicContact CE1-CG1 3.85Å; F12-V45 HydrophobicContact CZ-CG1 3.94Å; F12-E48 WeakPolarHBondContact CA-O 3.38Å; F12-M50 HydrophobicContact CB-CG 4.33Å; F12-M50 HydrophobicContact CB-SD 4.37Å; F12-M50 HydrophobicContact CD1-CG 3.48Å; F12-M50 VanDerWaalsContact CD1-CG 3.48Å; F12-M50 HydrophobicContact CD1-SD 4.2Å; F12-M50 HydrophobicContact CD2-CG 4.46Å; F12-M50 HydrophobicContact CD2-SD 4.13Å; F12-M50 HydrophobicContact CE1-CG 3.81Å; F12-M50 HydrophobicContact CE2-SD 4.47Å; F12-M50 HydrophobicContact CG-CG 3.85Å; F12-M50 HydrophobicContact CG-SD 3.98Å; F12-M50 HydrophobicContact CZ-CG 4.42Å; F12-P124 HydrophobicContact CE2-CB 3.85Å; F12-P124 HydrophobicContact CZ-CB 3.8Å; F12-Y182 VanDerWaalsContact O-CE2 3.29Å; F12-Y182 WeakPolarHBondContact O-CE2 3.38Å; F12-L184 HydrophobicContact CB-CD2 4.08Å | ||
| 13 | K | 96.8 | Very high | 94.9 | Very high | 77 Ų | 77 | 58.7 Ų | 58.7 | 34% | 0.335 | 28% | 0.284 | S | S | . | . | trans | -112.2 | -25.4 | -178.8 | -61.4 | 173.9 | -167.7 | 147 | 0 | 112.5 | E48 E185 | K13-E48 WeakPolarHBondContact CD-OE2 3.31Å; K13-E48 PolarHBondContact N-O 3.46Å; K13-E48 VanDerWaalsContact N-O 3.07Å; K13-E48 IonicContact NZ-OE1 3.35Å; K13-E48 PolarHBondContact NZ-OE1 2.87Å; K13-E48 IonicContact NZ-OE2 3.91Å; K13-E48 PolarHBondContact NZ-OE2 3.3Å; K13-E185 PolarHBondContact O-N 2.99Å | ||
| 14 | Y | 98.4 | Very high | 95.2 | Very high | 90 Ų | 90 | 55.5 Ų | 55.5 | 35% | 0.353 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 142.7 | -169.9 | -51.4 | -73.8 | 0 | 0 | 0 | 111.6 | E48 T49 M50 E185 | Y14-E48 HydrophobicContact CD2-CB 4.47Å; Y14-E48 PolarHBondContact N-O 3.24Å; Y14-T49 WeakPolarHBondContact O-CA 3.24Å; Y14-M50 PolarHBondContact O-N 2.83Å; Y14-E185 WeakPolarHBondContact CA-O 3.47Å; Y14-E185 HydrophobicContact CD1-CB 3.96Å; Y14-E185 HydrophobicContact CD1-CG 4.48Å; Y14-E185 HydrophobicContact CE1-CB 4.39Å; Y14-E185 WeakPolarHBondContact CE1-OE2 3.13Å |
| 15 | C | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 114.7 | 173.8 | -171 | 0 | 0 | 0 | 0 | 109.7 | M50 A145 L184 E185 V186 S187 | C15-M50 CarbonylContact C-O 3.55Å; C15-M50 WeakPolarHBondContact CA-O 3.46Å; C15-A145 HydrophobicContact CB-CB 3.84Å; C15-L184 HydrophobicContact CB-CB 4.07Å; C15-L184 HydrophobicContact CB-CD2 4.23Å; C15-E185 PolarHBondContact N-O 3.16Å; C15-V186 HydrophobicContact CB-CG2 4.45Å; C15-V186 CarbonylContact O-C 3.58Å; C15-V186 WeakPolarHBondContact O-CA 3.47Å; C15-S187 PolarHBondContact O-N 3.16Å |
| 16 | K | 98.6 | Very high | 95.7 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 39% | 0.387 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 120.6 | 176.8 | -84.7 | -179.8 | -175 | 174.1 | 0 | 110.1 | T49 M50 I51 I52 S187 F189 | K16-T49 HydrophobicContact CB-CG2 4.12Å; K16-T49 HydrophobicContact CD-CG2 3.9Å; K16-T49 HydrophobicContact CG-CG2 3.86Å; K16-M50 PolarHBondContact N-O 3.44Å; K16-I51 HydrophobicContact CB-CG1 4.31Å; K16-I51 HydrophobicContact CB-CG2 4.45Å; K16-I51 CarbonylContact O-C 3.57Å; K16-I51 WeakPolarHBondContact O-CA 3.31Å; K16-I52 PolarHBondContact O-N 3.33Å; K16-S187 CarbonylContact C-O 3.56Å; K16-S187 WeakPolarHBondContact CA-O 2.94Å; K16-S187 WeakPolarHBondContact CG-OG 3.34Å; K16-F189 HydrophobicContact CB-CD1 3.94Å; K16-F189 HydrophobicContact CB-CE1 4.07Å |
| 17 | I | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.8 | -179.1 | -50.5 | -176.9 | 0 | 0 | 0 | 109.8 | A21 L22 M25 I52 L143 V186 S187 Y188 F189 | I17-A21 HydrophobicContact CG2-CB 4.27Å; I17-L22 HydrophobicContact CG2-CB 4.18Å; I17-M25 HydrophobicContact CG2-CE 3.8Å; I17-I52 HydrophobicContact CD1-CD1 4.27Å; I17-I52 HydrophobicContact CG1-CD1 3.9Å; I17-I52 HydrophobicContact CG2-CB 4.49Å; I17-I52 HydrophobicContact CG2-CG2 4.38Å; I17-L143 HydrophobicContact CD1-CD1 4.08Å; I17-L143 HydrophobicContact CD1-CD2 3.63Å; I17-V186 HydrophobicContact CD1-CG1 3.83Å; I17-V186 HydrophobicContact CG1-CG1 4.23Å; I17-S187 PolarHBondContact N-O 3.45Å; I17-Y188 HydrophobicContact CB-CD1 4.09Å; I17-Y188 HydrophobicContact CB-CE1 4.32Å; I17-Y188 WeakPolarHBondContact O-CA 3.38Å; I17-F189 PolarHBondContact O-N 3.09Å; I17-F189 VanDerWaalsContact O-N 3.1Å |
| 18 | S | 97.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 8% | 0.077 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 145.4 | 174.6 | 83.3 | 0 | 0 | 0 | 0 | 110.7 | L20 A21 L22 I52 M53 F189 | S18-L20 PolarHBondContact O-N 3.45Å; S18-A21 PolarHBondContact O-N 2.95Å; S18-A21 VanDerWaalsContact OG-CB 3.31Å; S18-A21 WeakPolarHBondContact OG-CB 3.42Å; S18-A21 PolarHBondContact OG-N 3.44Å; S18-L22 WeakPolarHBondContact O-CB 3.23Å; S18-L22 PolarHBondContact O-N 3.01Å; S18-I52 WeakPolarHBondContact CB-O 3.44Å; S18-I52 PolarHBondContact N-O 2.89Å; S18-M53 WeakPolarHBondContact CB-O 3.5Å; S18-M53 PolarHBondContact OG-O 3.36Å; S18-F189 CarbonylContact C-O 3.59Å; S18-F189 WeakPolarHBondContact CA-O 3.37Å; S18-F189 VanDerWaalsContact N-CE1 3.28Å |
| 19 | A | 95.8 | Very high | 96 | Very high | 23 Ų | 23 | 44.9 Ų | 44.9 | 19% | 0.19 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58 | -32.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L23 F189 K190 | A19-L23 WeakPolarHBondContact O-CG 3.44Å; A19-L23 PolarHBondContact O-N 3.01Å; A19-L23 VanDerWaalsContact O-N 3.08Å; A19-F189 PolarHBondContact N-O 2.79Å; A19-K190 HydrophobicContact CB-CB 3.96Å |
| 20 | L | 93.6 | Very high | 96.1 | Very high | 94 Ų | 94 | 46.2 Ų | 46.2 | 49% | 0.492 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65 | -51.5 | 175 | 174.9 | 63.3 | 0 | 0 | 0 | 111.7 | S18 L22 L23 K24 | S18-L20 PolarHBondContact O-N 3.45Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 2.83Å; L20-L23 PolarHBondContact O-N 3.45Å; L20-K24 PolarHBondContact O-N 3.46Å; L20-K24 VanDerWaalsContact O-N 3.09Å |
| 21 | A | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I17 S18 L23 K24 M25 I52 S55 | I17-A21 HydrophobicContact CG2-CB 4.27Å; S18-A21 PolarHBondContact O-N 2.95Å; S18-A21 VanDerWaalsContact OG-CB 3.31Å; S18-A21 WeakPolarHBondContact OG-CB 3.42Å; S18-A21 PolarHBondContact OG-N 3.44Å; A21-L23 PolarHBondContact O-N 3.45Å; A21-K24 PolarHBondContact O-N 2.84Å; A21-M25 HydrophobicContact CB-CE 4.49Å; A21-M25 VanDerWaalsContact O-CG 3.24Å; A21-M25 WeakPolarHBondContact O-CG 3.31Å; A21-M25 PolarHBondContact O-N 2.98Å; A21-I52 HydrophobicContact CB-CG2 3.74Å; A21-S55 PolarHBondContact O-OG 3.33Å |
| 22 | L | 97.3 | Very high | 95.7 | Very high | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.141 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.9 | -52.9 | 176.6 | -178.3 | 63.9 | 0 | 0 | 0 | 111.8 | I17 S18 L20 K24 M25 V26 V141 L143 Y188 | I17-L22 HydrophobicContact CG2-CB 4.18Å; S18-L22 WeakPolarHBondContact O-CB 3.23Å; S18-L22 PolarHBondContact O-N 3.01Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 2.83Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 3.44Å; L22-M25 PolarHBondContact O-N 3.44Å; L22-V26 HydrophobicContact CD1-CG2 4.03Å; L22-V26 HydrophobicContact CG-CG2 4.43Å; L22-V26 WeakPolarHBondContact O-CB 3.28Å; L22-V26 VanDerWaalsContact O-CG2 3.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.46Å; L22-V26 PolarHBondContact O-N 3.38Å; L22-V141 HydrophobicContact CD1-CG1 4.17Å; L22-L143 HydrophobicContact CD1-CD1 3.58Å; L22-Y188 HydrophobicContact CD1-CE1 3.91Å; L22-Y188 HydrophobicContact CD2-CD1 3.83Å; L22-Y188 HydrophobicContact CD2-CE1 3.69Å; L22-Y188 HydrophobicContact CG-CE1 4.34Å |
| 23 | L | 93.9 | Very high | 95.4 | Very high | 105 Ų | 105 | 48.3 Ų | 48.3 | 55% | 0.55 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 179.9 | -78.5 | 173.3 | 0 | 0 | 0 | 111.8 | A19 L20 A21 M27 | A19-L23 WeakPolarHBondContact O-CG 3.44Å; A19-L23 PolarHBondContact O-N 3.01Å; A19-L23 VanDerWaalsContact O-N 3.08Å; L20-L23 PolarHBondContact O-N 3.45Å; A21-L23 PolarHBondContact O-N 3.45Å; L23-M27 VanDerWaalsContact O-CB 3.26Å; L23-M27 WeakPolarHBondContact O-CB 2.98Å; L23-M27 WeakPolarHBondContact O-CG 3.34Å; L23-M27 PolarHBondContact O-N 3.46Å |
| 24 | K | 95.8 | Very high | 94.9 | Very high | 67 Ų | 67 | 51.2 Ų | 51.2 | 29% | 0.291 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 178.5 | -75.1 | -162.4 | -70.4 | 176.2 | 0 | 112.6 | L20 A21 L22 H28 D54 S55 | L20-K24 PolarHBondContact O-N 3.46Å; L20-K24 VanDerWaalsContact O-N 3.09Å; A21-K24 PolarHBondContact O-N 2.84Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 3.44Å; K24-H28 VanDerWaalsContact O-CB 3.3Å; K24-H28 WeakPolarHBondContact O-CB 3.45Å; K24-H28 PolarHBondContact O-N 3.04Å; K24-D54 WeakPolarHBondContact CE-OD1 3.18Å; K24-D54 IonicContact NZ-OD1 3.41Å; K24-D54 PolarHBondContact NZ-OD1 3.16Å; K24-D54 IonicContact NZ-OD2 3.94Å; K24-D54 PolarHBondContact NZ-OD2 3.26Å; K24-S55 WeakPolarHBondContact CE-O 3.49Å; K24-S55 PolarHBondContact NZ-O 3.08Å |
| 25 | M | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.6 | -43.4 | -179.3 | -62.3 | -176.9 | -63.1 | 0 | 0 | 111.6 | I17 A21 L22 H28 A29 M41 S55 Y97 I130 L143 | I17-M25 HydrophobicContact CG2-CE 3.8Å; A21-M25 HydrophobicContact CB-CE 4.49Å; A21-M25 VanDerWaalsContact O-CG 3.24Å; A21-M25 WeakPolarHBondContact O-CG 3.31Å; A21-M25 PolarHBondContact O-N 2.98Å; L22-M25 PolarHBondContact O-N 3.44Å; M25-H28 PolarHBondContact O-N 2.7Å; M25-A29 VanDerWaalsContact O-CB 3.31Å; M25-A29 WeakPolarHBondContact O-CB 3.42Å; M25-A29 PolarHBondContact O-N 2.95Å; M25-M41 HydrophobicContact CE-SD 4.45Å; M25-M41 HydrophobicContact SD-CG 4.03Å; M25-M41 HydrophobicContact SD-SD 3.64Å; M25-M41 VanDerWaalsContact SD-SD 3.64Å; M25-S55 WeakPolarHBondContact CG-OG 3.34Å; M25-Y97 HydrophobicContact CB-CD2 3.85Å; M25-Y97 HydrophobicContact CB-CE2 3.79Å; M25-Y97 HydrophobicContact CB-CG 4.27Å; M25-Y97 HydrophobicContact CG-CD1 3.71Å; M25-Y97 HydrophobicContact CG-CD2 3.84Å; M25-Y97 HydrophobicContact CG-CE1 3.7Å; M25-Y97 HydrophobicContact CG-CE2 3.84Å; M25-Y97 HydrophobicContact CG-CG 3.77Å; M25-Y97 HydrophobicContact SD-CD1 3.64Å; M25-Y97 HydrophobicContact SD-CD2 4.12Å; M25-Y97 HydrophobicContact SD-CE1 4.24Å; M25-Y97 HydrophobicContact SD-CG 3.56Å; M25-Y97 VanDerWaalsContact SD-CG 3.56Å; M25-I130 HydrophobicContact CB-CD1 3.34Å; M25-I130 HydrophobicContact CG-CD1 4.42Å; M25-I130 HydrophobicContact SD-CD1 4.48Å; M25-L143 HydrophobicContact CE-CD1 4.49Å |
| 26 | V | 96.3 | Very high | 94.1 | Very high | 30 Ų | 30 | 53.3 Ų | 53.3 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 178.5 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | L22 A29 R30 I130 V141 | L22-V26 HydrophobicContact CD1-CG2 4.03Å; L22-V26 HydrophobicContact CG-CG2 4.43Å; L22-V26 WeakPolarHBondContact O-CB 3.28Å; L22-V26 VanDerWaalsContact O-CG2 3.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.46Å; L22-V26 PolarHBondContact O-N 3.38Å; V26-A29 PolarHBondContact O-N 3.37Å; V26-R30 WeakPolarHBondContact O-CB 2.96Å; V26-R30 PolarHBondContact O-N 3.44Å; V26-I130 HydrophobicContact CG2-CD1 4.45Å; V26-I130 HydrophobicContact CG2-CG2 4.26Å; V26-V141 HydrophobicContact CG2-CG1 4.26Å |
| 27 | M | 92.6 | Very high | 93.8 | Very high | 134 Ų | 134 | 49.9 Ų | 49.9 | 66% | 0.66 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.4 | -41.6 | 176.6 | -73.9 | -61.6 | -67.5 | 0 | 0 | 111.8 | L23 R30 S31 | L23-M27 VanDerWaalsContact O-CB 3.26Å; L23-M27 WeakPolarHBondContact O-CB 2.98Å; L23-M27 WeakPolarHBondContact O-CG 3.34Å; L23-M27 PolarHBondContact O-N 3.46Å; M27-R30 PolarHBondContact O-N 2.83Å; M27-S31 PolarHBondContact O-N 2.6Å |
| 28 | H | 95.1 | Very high | 93.6 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 17% | 0.167 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -48.9 | 175.7 | -177.9 | -140.4 | 0 | 0 | 0 | 111.5 | K24 M25 R30 S31 G32 M38 A57 Y97 | K24-H28 VanDerWaalsContact O-CB 3.3Å; K24-H28 WeakPolarHBondContact O-CB 3.45Å; K24-H28 PolarHBondContact O-N 3.04Å; M25-H28 PolarHBondContact O-N 2.7Å; H28-R30 VanDerWaalsContact C-N 3.26Å; H28-R30 PolarHBondContact O-N 3.29Å; H28-S31 WeakPolarHBondContact O-CB 3.41Å; H28-S31 PolarHBondContact O-N 3.41Å; H28-S31 PolarHBondContact O-OG 3Å; H28-G32 PolarHBondContact O-N 3.44Å; H28-M38 PolarHBondContact CE1-O 2.83Å; H28-A57 WeakPolarHBondContact CE1-CB 3.17Å; H28-A57 WeakPolarHBondContact NE2-CB 3.45Å; H28-Y97 AromaticContact ND1-CE2 3.79Å; H28-Y97 AromaticContact ND1-CZ 3.69Å; H28-Y97 PolarHBondContact ND1-OH 3.46Å |
| 29 | A | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.9 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M25 V26 S31 G32 I130 P132 | M25-A29 VanDerWaalsContact O-CB 3.31Å; M25-A29 WeakPolarHBondContact O-CB 3.42Å; M25-A29 PolarHBondContact O-N 2.95Å; V26-A29 PolarHBondContact O-N 3.37Å; A29-S31 VanDerWaalsContact C-N 3.33Å; A29-S31 PolarHBondContact O-N 2.93Å; A29-G32 PolarHBondContact O-N 2.99Å; A29-I130 HydrophobicContact CB-CB 4.37Å; A29-I130 HydrophobicContact CB-CG2 4.06Å; A29-P132 HydrophobicContact CB-CB 4.05Å; A29-P132 HydrophobicContact CB-CG 4.05Å |
| 30 | R | 92.8 | Very high | 93.4 | Very high | 96 Ų | 96 | 48.7 Ų | 48.7 | 36% | 0.362 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.1 | -35.2 | 176.3 | -178.2 | 55.3 | 178.5 | 177.6 | 0.4 | 112.8 | V26 M27 H28 G32 G33 P132 I136 | V26-R30 WeakPolarHBondContact O-CB 2.96Å; V26-R30 PolarHBondContact O-N 3.44Å; M27-R30 PolarHBondContact O-N 2.83Å; H28-R30 VanDerWaalsContact C-N 3.26Å; H28-R30 PolarHBondContact O-N 3.29Å; R30-G32 PolarHBondContact O-N 3.23Å; R30-G33 PolarHBondContact O-N 3Å; R30-G33 VanDerWaalsContact O-N 3.14Å; R30-P132 HydrophobicContact CB-CB 4.34Å; R30-I136 VanDerWaalsContact NE-CD1 3.33Å |
| 31 | S | 90.9 | Very high | 93.6 | Very high | 90 Ų | 90 | 44.2 Ų | 44.2 | 63% | 0.629 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -66.3 | -24.2 | 178.3 | 75.5 | 0 | 0 | 0 | 0 | 113.5 | M27 H28 A29 G33 | M27-S31 PolarHBondContact O-N 2.6Å; H28-S31 WeakPolarHBondContact O-CB 3.41Å; H28-S31 PolarHBondContact O-N 3.41Å; H28-S31 PolarHBondContact O-OG 3Å; A29-S31 VanDerWaalsContact C-N 3.33Å; A29-S31 PolarHBondContact O-N 2.93Å; S31-G33 VanDerWaalsContact C-N 3.25Å; S31-G33 PolarHBondContact O-N 2.91Å |
| 32 | G | 90.2 | Very high | 93.5 | Very high | 16 Ų | 16 | 44.3 Ų | 44.3 | 17% | 0.165 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -15.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H28 A29 R30 N34 L35 | H28-G32 PolarHBondContact O-N 3.44Å; A29-G32 PolarHBondContact O-N 2.99Å; R30-G32 PolarHBondContact O-N 3.23Å; G32-N34 PolarHBondContact O-N 2.95Å; G32-N34 VanDerWaalsContact O-N 3.16Å; G32-L35 WeakPolarHBondContact O-CB 3.28Å; G32-L35 PolarHBondContact O-N 3.08Å |
| 33 | G | 90 | Very high | 93.4 | Very high | 29 Ų | 29 | 43.3 Ų | 43.3 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | -114.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R30 S31 | R30-G33 PolarHBondContact O-N 3Å; R30-G33 VanDerWaalsContact O-N 3.14Å; S31-G33 VanDerWaalsContact C-N 3.25Å; S31-G33 PolarHBondContact O-N 2.91Å |
| 34 | N | 88.1 | Confident | 93.5 | Very high | 138 Ų | 138 | 43.8 Ų | 43.8 | 74% | 0.738 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -1.8 | 176.1 | -64.9 | -26.9 | 0 | 0 | 0 | 113 | G32 | G32-N34 PolarHBondContact O-N 2.95Å; G32-N34 VanDerWaalsContact O-N 3.16Å |
| 35 | L | 88.5 | Confident | 93.6 | Very high | 112 Ų | 112 | 43.2 Ų | 43.2 | 59% | 0.586 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -93.3 | 144.9 | 176.1 | -58.6 | 177.3 | 0 | 0 | 0 | 109.7 | G32 | G32-L35 WeakPolarHBondContact O-CB 3.28Å; G32-L35 PolarHBondContact O-N 3.08Å |
| 36 | E | 91.1 | Very high | 93.5 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 140.4 | 175.2 | -49.8 | 169.6 | -172.3 | 0 | 0 | 109.8 | G62 E64 S99 Y103 | E36-G62 WeakPolarHBondContact CB-O 3.33Å; E36-G62 CarbonylContact O-C 3.57Å; E36-G62 VanDerWaalsContact O-CA 3.28Å; E36-G62 WeakPolarHBondContact O-CA 3.48Å; E36-G62 PolarHBondContact O-N 3.32Å; E36-G62 VanDerWaalsContact O-O 3.07Å; E36-E64 WeakPolarHBondContact OE1-CG 3.34Å; E36-E64 WeakPolarHBondContact OE2-CG 3.48Å; E36-S99 WeakPolarHBondContact CA-OG 3.49Å; E36-S99 VanDerWaalsContact CB-O 3.3Å; E36-S99 WeakPolarHBondContact CB-O 3.42Å; E36-S99 VanDerWaalsContact CG-O 3.23Å; E36-S99 WeakPolarHBondContact CG-O 3.18Å; E36-Y103 PolarHBondContact OE1-OH 2.94Å |
| 37 | V | 92.6 | Very high | 93.5 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 10% | 0.097 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 157.2 | 174.3 | -62.5 | 0 | 0 | 0 | 0 | 108.4 | H98 S99 | V37-H98 CarbonylContact O-C 3.48Å; V37-H98 WeakPolarHBondContact O-CA 3.18Å; V37-H98 WeakPolarHBondContact O-CB 3.26Å; V37-S99 PolarHBondContact N-OG 2.94Å; V37-S99 PolarHBondContact O-N 3.33Å |
| 38 | M | 94.2 | Very high | 93.8 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 3% | 0.034 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 161.3 | 178.5 | 67.8 | 178.7 | -56.5 | 0 | 0 | 112.6 | H28 L58 V60 A69 Q70 W96 Y97 H98 | H28-M38 PolarHBondContact CE1-O 2.83Å; M38-L58 HydrophobicContact CE-CD1 4.4Å; M38-L58 PolarHBondContact O-N 3.02Å; M38-V60 HydrophobicContact CG-CG2 3.4Å; M38-V60 VanDerWaalsContact CG-CG2 3.4Å; M38-V60 HydrophobicContact SD-CG2 3.57Å; M38-V60 VanDerWaalsContact SD-CG2 3.57Å; M38-A69 HydrophobicContact SD-CB 3.78Å; M38-Q70 HydrophobicContact CE-CB 3.82Å; M38-W96 HydrophobicContact CE-CE3 3.67Å; M38-W96 HydrophobicContact CE-CZ3 4.04Å; M38-Y97 CarbonylContact C-O 3.57Å; M38-Y97 WeakPolarHBondContact CA-O 3.45Å; M38-Y97 WeakPolarHBondContact CB-O 3.29Å; M38-H98 HydrophobicContact CB-CB 3.84Å |
| 39 | G | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 176.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F56 W96 Y97 | G39-F56 CarbonylContact C-O 3.48Å; G39-F56 WeakPolarHBondContact CA-O 3.39Å; G39-W96 WeakPolarHBondContact O-CA 3.39Å; G39-Y97 VanDerWaalsContact C-CE1 3.45Å; G39-Y97 PolarHBondContact N-O 3.08Å; G39-Y97 WeakPolarHBondContact O-CD1 3.22Å; G39-Y97 PolarHBondContact O-N 2.83Å |
| 40 | L | 94.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 149.5 | 178.6 | -153.8 | 73.4 | 0 | 0 | 0 | 110.6 | S55 F56 M77 I81 A93 G95 W96 F125 | L40-S55 CarbonylContact O-C 3.52Å; L40-S55 VanDerWaalsContact O-CA 3.3Å; L40-S55 WeakPolarHBondContact O-CA 3.3Å; L40-F56 HydrophobicContact CB-CD1 4.34Å; L40-F56 HydrophobicContact CB-CE1 3.74Å; L40-F56 HydrophobicContact CB-CE2 4.02Å; L40-F56 HydrophobicContact CB-CZ 3.58Å; L40-F56 HydrophobicContact CD2-CE1 4.01Å; L40-F56 HydrophobicContact CD2-CZ 3.66Å; L40-F56 HydrophobicContact CG-CE1 4.38Å; L40-F56 HydrophobicContact CG-CZ 4.24Å; L40-F56 PolarHBondContact N-O 2.89Å; L40-F56 PolarHBondContact O-N 2.89Å; L40-M77 HydrophobicContact CD1-SD 3.9Å; L40-M77 HydrophobicContact CD2-CG 4.15Å; L40-M77 HydrophobicContact CD2-SD 3.82Å; L40-M77 HydrophobicContact CG-SD 4.33Å; L40-I81 HydrophobicContact CD2-CD1 4.4Å; L40-A93 HydrophobicContact CD2-CB 3.98Å; L40-A93 HydrophobicContact CG-CB 4.47Å; L40-G95 WeakPolarHBondContact CD1-O 3.46Å; L40-W96 HydrophobicContact CD1-CB 4.37Å; L40-F125 HydrophobicContact CD1-CZ 3.91Å |
| 41 | M | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137.6 | 177.7 | -59.5 | -176.4 | -61.6 | 0 | 0 | 110.2 | M25 I52 D54 A93 I94 G95 W96 Y97 V126 V128 | M25-M41 HydrophobicContact CE-SD 4.45Å; M25-M41 HydrophobicContact SD-CG 4.03Å; M25-M41 HydrophobicContact SD-SD 3.64Å; M25-M41 VanDerWaalsContact SD-SD 3.64Å; M41-I52 HydrophobicContact CB-CG1 4.36Å; M41-I52 HydrophobicContact CB-CG2 4.09Å; M41-I52 HydrophobicContact CE-CD1 3.74Å; M41-I52 HydrophobicContact CE-CG1 4.23Å; M41-I52 HydrophobicContact CG-CG2 4.3Å; M41-I52 HydrophobicContact SD-CD1 3.42Å; M41-I52 WeakPolarHBondContact SD-CD1 3.43Å; M41-I52 HydrophobicContact SD-CG1 3.93Å; M41-I52 HydrophobicContact SD-CG2 4.07Å; M41-D54 WeakPolarHBondContact CA-O 3.37Å; M41-A93 WeakPolarHBondContact O-CA 3.34Å; M41-I94 HydrophobicContact CB-CG2 4.04Å; M41-I94 PolarHBondContact O-N 2.84Å; M41-G95 PolarHBondContact N-O 2.81Å; M41-W96 WeakPolarHBondContact CE-O 3.36Å; M41-Y97 HydrophobicContact CG-CD1 3.86Å; M41-V126 HydrophobicContact CE-CG1 3.71Å; M41-V128 HydrophobicContact CE-CB 4.04Å; M41-V128 HydrophobicContact CE-CG2 3.68Å; M41-V128 HydrophobicContact SD-CB 4.04Å; M41-V128 HydrophobicContact SD-CG2 3.89Å |
| 42 | L | 95.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.1 | 175.9 | -58.3 | -177.8 | 0 | 0 | 0 | 109.8 | M53 D54 F56 Y80 I81 E91 N92 | L42-M53 PolarHBondContact O-N 3.02Å; L42-D54 HydrophobicContact CB-CB 4.41Å; L42-D54 PolarHBondContact N-O 3.01Å; L42-D54 PolarHBondContact O-N 3.44Å; L42-F56 HydrophobicContact CD1-CD1 4.48Å; L42-F56 HydrophobicContact CD1-CE1 4.32Å; L42-F56 HydrophobicContact CD2-CE1 4.09Å; L42-F56 HydrophobicContact CG-CD1 4.4Å; L42-F56 HydrophobicContact CG-CE1 4.11Å; L42-Y80 HydrophobicContact CD1-CE1 4.08Å; L42-I81 HydrophobicContact CD2-CG1 4.28Å; L42-E91 HydrophobicContact CB-CB 4.11Å; L42-N92 WeakPolarHBondContact CA-O 3.34Å |
| 43 | G | 96.3 | Very high | 95 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 7% | 0.072 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | -154.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I51 N92 | G43-I51 CarbonylContact C-O 3.5Å; G43-I51 WeakPolarHBondContact CA-O 3.15Å; G43-N92 PolarHBondContact N-O 2.8Å |
| 44 | K | 95.9 | Very high | 95.3 | Very high | 114 Ų | 114 | 37.8 Ų | 37.8 | 50% | 0.496 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 172.5 | -177.5 | 63.3 | -174.6 | 178.3 | -174.6 | 0 | 111 | I51 | K44-I51 HydrophobicContact CG-CB 4.21Å; K44-I51 HydrophobicContact CG-CD1 4.46Å; K44-I51 PolarHBondContact N-O 3.5Å; K44-I51 PolarHBondContact O-N 3.14Å |
| 45 | V | 96.6 | Very high | 95.7 | Very high | 55 Ų | 55 | 31.2 Ų | 31.2 | 33% | 0.333 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 145.6 | 172.5 | -63.9 | 0 | 0 | 0 | 0 | 110.4 | F12 I94 P124 | F12-V45 HydrophobicContact CE1-CB 4.29Å; F12-V45 HydrophobicContact CE1-CG1 3.85Å; F12-V45 HydrophobicContact CZ-CG1 3.94Å; V45-I94 HydrophobicContact CG1-CD1 3.76Å; V45-P124 HydrophobicContact CG1-CB 4.21Å; V45-P124 HydrophobicContact CG1-CG 3.63Å |
| 46 | D | 96.5 | Very high | 96 | Very high | 112 Ų | 112 | 26.5 Ų | 26.5 | 60% | 0.599 | 15% | 0.145 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 100.9 | 171.3 | -174.3 | 20.3 | 0 | 0 | 0 | 108.8 | E48 T49 I51 | D46-E48 PolarHBondContact O-N 3.37Å; D46-T49 PolarHBondContact N-O 3.34Å; D46-T49 WeakPolarHBondContact O-CB 3.5Å; D46-T49 PolarHBondContact O-N 3.27Å; D46-I51 HydrophobicContact CB-CD1 3.68Å |
| 47 | G | 96.1 | Very high | 96.1 | Very high | 38 Ų | 38 | 27.2 Ų | 27.2 | 39% | 0.392 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | -128.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y11 T49 | Y11-G47 VanDerWaalsContact CE1-O 3.24Å; Y11-G47 WeakPolarHBondContact CE1-O 3.21Å; Y11-G47 VanDerWaalsContact OH-C 3.28Å; Y11-G47 PolarHBondContact OH-O 3.38Å; G47-T49 PolarHBondContact O-N 3.46Å |
| 48 | E | 97.8 | Very high | 96 | Very high | 65 Ų | 65 | 26.8 Ų | 26.8 | 30% | 0.304 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 6.7 | 178.7 | -58.1 | -173.3 | 149.2 | 0 | 0 | 113.6 | Y11 F12 K13 Y14 D46 | Y11-E48 HydrophobicContact CD2-CG 4.39Å; Y11-E48 HydrophobicContact CE2-CG 4.06Å; Y11-E48 VanDerWaalsContact O-CB 3.25Å; Y11-E48 WeakPolarHBondContact O-CB 3.43Å; Y11-E48 VanDerWaalsContact O-CG 3.31Å; Y11-E48 WeakPolarHBondContact O-CG 3.4Å; F12-E48 WeakPolarHBondContact CA-O 3.38Å; K13-E48 WeakPolarHBondContact CD-OE2 3.31Å; K13-E48 PolarHBondContact N-O 3.46Å; K13-E48 VanDerWaalsContact N-O 3.07Å; K13-E48 IonicContact NZ-OE1 3.35Å; K13-E48 PolarHBondContact NZ-OE1 2.87Å; K13-E48 IonicContact NZ-OE2 3.91Å; K13-E48 PolarHBondContact NZ-OE2 3.3Å; Y14-E48 HydrophobicContact CD2-CB 4.47Å; Y14-E48 PolarHBondContact N-O 3.24Å; D46-E48 PolarHBondContact O-N 3.37Å |
| 49 | T | 98.5 | Very high | 95.6 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 13% | 0.129 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 126.2 | -176.7 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | Y14 K16 D46 G47 I51 | Y14-T49 WeakPolarHBondContact O-CA 3.24Å; K16-T49 HydrophobicContact CB-CG2 4.12Å; K16-T49 HydrophobicContact CD-CG2 3.9Å; K16-T49 HydrophobicContact CG-CG2 3.86Å; D46-T49 PolarHBondContact N-O 3.34Å; D46-T49 WeakPolarHBondContact O-CB 3.5Å; D46-T49 PolarHBondContact O-N 3.27Å; G47-T49 PolarHBondContact O-N 3.46Å; T49-I51 HydrophobicContact CG2-CG1 4.12Å |
| 50 | M | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 128.5 | 167.4 | -58.7 | -170 | 69.5 | 0 | 0 | 109.3 | F12 Y14 C15 K16 I94 P124 V126 L184 | F12-M50 HydrophobicContact CB-CG 4.33Å; F12-M50 HydrophobicContact CB-SD 4.37Å; F12-M50 HydrophobicContact CD1-CG 3.48Å; F12-M50 VanDerWaalsContact CD1-CG 3.48Å; F12-M50 HydrophobicContact CD1-SD 4.2Å; F12-M50 HydrophobicContact CD2-CG 4.46Å; F12-M50 HydrophobicContact CD2-SD 4.13Å; F12-M50 HydrophobicContact CE1-CG 3.81Å; F12-M50 HydrophobicContact CE2-SD 4.47Å; F12-M50 HydrophobicContact CG-CG 3.85Å; F12-M50 HydrophobicContact CG-SD 3.98Å; F12-M50 HydrophobicContact CZ-CG 4.42Å; Y14-M50 PolarHBondContact O-N 2.83Å; C15-M50 CarbonylContact C-O 3.55Å; C15-M50 WeakPolarHBondContact CA-O 3.46Å; K16-M50 PolarHBondContact N-O 3.44Å; M50-I94 HydrophobicContact CE-CD1 3.72Å; M50-I94 HydrophobicContact CE-CG1 3.83Å; M50-I94 WeakPolarHBondContact CE-O 3.35Å; M50-P124 HydrophobicContact CE-CB 4.18Å; M50-V126 HydrophobicContact CE-CB 3.76Å; M50-V126 HydrophobicContact CE-CG1 3.92Å; M50-V126 HydrophobicContact SD-CB 3.77Å; M50-V126 HydrophobicContact SD-CG1 4.32Å; M50-V126 HydrophobicContact SD-CG2 4.44Å; M50-L184 HydrophobicContact SD-CD2 4.5Å |
| 51 | I | 98.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 38.9 Ų | 38.9 | 9% | 0.087 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 111.3 | -175.3 | -54.1 | 176.2 | 0 | 0 | 0 | 109.1 | K16 G43 K44 D46 T49 M53 F189 | K16-I51 HydrophobicContact CB-CG1 4.31Å; K16-I51 HydrophobicContact CB-CG2 4.45Å; K16-I51 CarbonylContact O-C 3.57Å; K16-I51 WeakPolarHBondContact O-CA 3.31Å; G43-I51 CarbonylContact C-O 3.5Å; G43-I51 WeakPolarHBondContact CA-O 3.15Å; K44-I51 HydrophobicContact CG-CB 4.21Å; K44-I51 HydrophobicContact CG-CD1 4.46Å; K44-I51 PolarHBondContact N-O 3.5Å; K44-I51 PolarHBondContact O-N 3.14Å; D46-I51 HydrophobicContact CB-CD1 3.68Å; T49-I51 HydrophobicContact CG2-CG1 4.12Å; I51-M53 HydrophobicContact CG2-CG 4.3Å; I51-M53 HydrophobicContact CG2-SD 3.76Å; I51-F189 HydrophobicContact CG2-CE1 3.77Å; I51-F189 HydrophobicContact CG2-CZ 3.75Å |
| 52 | I | 98.5 | Very high | 92 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 112.7 | 173.6 | -65.5 | 155.3 | 0 | 0 | 0 | 108.4 | K16 I17 S18 A21 M41 I94 V126 V128 | K16-I52 PolarHBondContact O-N 3.33Å; I17-I52 HydrophobicContact CD1-CD1 4.27Å; I17-I52 HydrophobicContact CG1-CD1 3.9Å; I17-I52 HydrophobicContact CG2-CB 4.49Å; I17-I52 HydrophobicContact CG2-CG2 4.38Å; S18-I52 WeakPolarHBondContact CB-O 3.44Å; S18-I52 PolarHBondContact N-O 2.89Å; A21-I52 HydrophobicContact CB-CG2 3.74Å; M41-I52 HydrophobicContact CB-CG1 4.36Å; M41-I52 HydrophobicContact CB-CG2 4.09Å; M41-I52 HydrophobicContact CE-CD1 3.74Å; M41-I52 HydrophobicContact CE-CG1 4.23Å; M41-I52 HydrophobicContact CG-CG2 4.3Å; M41-I52 HydrophobicContact SD-CD1 3.42Å; M41-I52 WeakPolarHBondContact SD-CD1 3.43Å; M41-I52 HydrophobicContact SD-CG1 3.93Å; M41-I52 HydrophobicContact SD-CG2 4.07Å; I52-I94 HydrophobicContact CG1-CG2 3.93Å; I52-V126 HydrophobicContact CD1-CG1 4.33Å; I52-V128 HydrophobicContact CD1-CG2 4.03Å |
| 53 | M | 96.3 | Very high | 90.2 | Very high | 54 Ų | 54 | 41.5 Ų | 41.5 | 27% | 0.266 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -42.7 | -178.2 | -65.3 | -66.1 | -64.1 | 0 | 0 | 111 | S18 L42 I51 E91 F189 | S18-M53 WeakPolarHBondContact CB-O 3.5Å; S18-M53 PolarHBondContact OG-O 3.36Å; L42-M53 PolarHBondContact O-N 3.02Å; I51-M53 HydrophobicContact CG2-CG 4.3Å; I51-M53 HydrophobicContact CG2-SD 3.76Å; M53-E91 HydrophobicContact CB-CG 4.11Å; M53-E91 HydrophobicContact CG-CG 3.97Å; M53-F189 HydrophobicContact SD-CE2 4.11Å; M53-F189 HydrophobicContact SD-CZ 3.68Å |
| 54 | D | 95.9 | Very high | 88.5 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.064 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 167 | -177.2 | -154.9 | 30.7 | 0 | 0 | 0 | 112.4 | K24 M41 L42 R89 | K24-D54 WeakPolarHBondContact CE-OD1 3.18Å; K24-D54 IonicContact NZ-OD1 3.41Å; K24-D54 PolarHBondContact NZ-OD1 3.16Å; K24-D54 IonicContact NZ-OD2 3.94Å; K24-D54 PolarHBondContact NZ-OD2 3.26Å; M41-D54 WeakPolarHBondContact CA-O 3.37Å; L42-D54 HydrophobicContact CB-CB 4.41Å; L42-D54 PolarHBondContact N-O 3.01Å; L42-D54 PolarHBondContact O-N 3.44Å; D54-R89 IonicContact OD2-CZ 3.54Å; D54-R89 IonicContact OD2-NE 3.94Å; D54-R89 IonicContact OD2-NH1 3.29Å; D54-R89 PolarHBondContact OD2-NH1 3.1Å |
| 55 | S | 96.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 157.2 | 177.3 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | A21 K24 M25 L40 | A21-S55 PolarHBondContact O-OG 3.33Å; K24-S55 WeakPolarHBondContact CE-O 3.49Å; K24-S55 PolarHBondContact NZ-O 3.08Å; M25-S55 WeakPolarHBondContact CG-OG 3.34Å; L40-S55 CarbonylContact O-C 3.52Å; L40-S55 VanDerWaalsContact O-CA 3.3Å; L40-S55 WeakPolarHBondContact O-CA 3.3Å |
| 56 | F | 94.4 | Very high | 85.1 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 148.4 | 172.9 | 62.6 | -86.4 | 0 | 0 | 0 | 111.6 | G39 L40 L42 L58 Y76 M77 Y80 | G39-F56 CarbonylContact C-O 3.48Å; G39-F56 WeakPolarHBondContact CA-O 3.39Å; L40-F56 HydrophobicContact CB-CD1 4.34Å; L40-F56 HydrophobicContact CB-CE1 3.74Å; L40-F56 HydrophobicContact CB-CE2 4.02Å; L40-F56 HydrophobicContact CB-CZ 3.58Å; L40-F56 HydrophobicContact CD2-CE1 4.01Å; L40-F56 HydrophobicContact CD2-CZ 3.66Å; L40-F56 HydrophobicContact CG-CE1 4.38Å; L40-F56 HydrophobicContact CG-CZ 4.24Å; L40-F56 PolarHBondContact N-O 2.89Å; L40-F56 PolarHBondContact O-N 2.89Å; L42-F56 HydrophobicContact CD1-CD1 4.48Å; L42-F56 HydrophobicContact CD1-CE1 4.32Å; L42-F56 HydrophobicContact CD2-CE1 4.09Å; L42-F56 HydrophobicContact CG-CD1 4.4Å; L42-F56 HydrophobicContact CG-CE1 4.11Å; F56-L58 HydrophobicContact CD2-CD2 4.24Å; F56-L58 HydrophobicContact CE2-CD2 3.71Å; F56-Y76 AromaticContact CD2-CE1 3.85Å; F56-Y76 HydrophobicContact CD2-CE1 3.85Å; F56-Y76 HydrophobicContact CE2-CD1 4.16Å; F56-Y76 AromaticContact CE2-CE1 3.91Å; F56-Y76 HydrophobicContact CE2-CE1 3.91Å; F56-M77 HydrophobicContact CE2-CG 4.39Å; F56-M77 HydrophobicContact CZ-CG 4.43Å; F56-Y80 HydrophobicContact CB-CD2 4.48Å; F56-Y80 HydrophobicContact CB-CE1 3.99Å; F56-Y80 HydrophobicContact CB-CE2 3.86Å; F56-Y80 AromaticContact CD1-CD1 3.42Å; F56-Y80 HydrophobicContact CD1-CD1 3.42Å; F56-Y80 VanDerWaalsContact CD1-CD1 3.42Å; F56-Y80 AromaticContact CD1-CE1 3.11Å; F56-Y80 HydrophobicContact CD1-CE1 3.11Å; F56-Y80 HydrophobicContact CD1-CE2 4.41Å; F56-Y80 HydrophobicContact CD1-CG 4.2Å; F56-Y80 AromaticContact CD1-CZ 3.67Å; F56-Y80 AromaticContact CD2-CD1 4Å; F56-Y80 HydrophobicContact CD2-CD1 4Å; F56-Y80 HydrophobicContact CD2-CD2 4.11Å; F56-Y80 HydrophobicContact CD2-CE1 4.22Å; F56-Y80 HydrophobicContact CD2-CE2 4.33Å; F56-Y80 AromaticContact CD2-CG 3.94Å; F56-Y80 HydrophobicContact CD2-CG 3.94Å; F56-Y80 AromaticContact CE1-CD1 3.28Å; F56-Y80 HydrophobicContact CE1-CD1 3.28Å; F56-Y80 AromaticContact CE1-CE1 3.46Å; F56-Y80 HydrophobicContact CE1-CE1 3.46Å; F56-Y80 VanDerWaalsContact CE1-CE1 3.46Å; F56-Y80 HydrophobicContact CE1-CG 4.12Å; F56-Y80 AromaticContact CE2-CD1 3.88Å; F56-Y80 HydrophobicContact CE2-CD1 3.88Å; F56-Y80 HydrophobicContact CE2-CD2 4.45Å; F56-Y80 HydrophobicContact CE2-CE1 4.49Å; F56-Y80 AromaticContact CE2-CG 3.86Å; F56-Y80 HydrophobicContact CE2-CG 3.86Å; F56-Y80 AromaticContact CG-CD1 3.76Å; F56-Y80 HydrophobicContact CG-CD1 3.76Å; F56-Y80 HydrophobicContact CG-CD2 4.18Å; F56-Y80 AromaticContact CG-CE1 3.53Å; F56-Y80 HydrophobicContact CG-CE1 3.53Å; F56-Y80 AromaticContact CG-CE2 3.97Å; F56-Y80 HydrophobicContact CG-CE2 3.97Å; F56-Y80 HydrophobicContact CG-CG 4.08Å; F56-Y80 AromaticContact CG-CZ 3.63Å; F56-Y80 AromaticContact CZ-CD1 3.51Å; F56-Y80 HydrophobicContact CZ-CD1 3.51Å; F56-Y80 HydrophobicContact CZ-CE1 4.14Å; F56-Y80 AromaticContact CZ-CG 3.94Å; F56-Y80 HydrophobicContact CZ-CG 3.94Å |
| 57 | A | 94 | Very high | 83.2 | Confident | 38 Ų | 38 | 48 Ų | 48 | 31% | 0.314 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 142.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | H28 | H28-A57 WeakPolarHBondContact CE1-CB 3.17Å; H28-A57 WeakPolarHBondContact NE2-CB 3.45Å |
| 58 | L | 91.1 | Very high | 81.9 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 141.6 | 166.9 | -65.5 | 177.4 | 0 | 0 | 0 | 108.8 | M38 F56 V60 Q70 A73 Y76 M77 | M38-L58 HydrophobicContact CE-CD1 4.4Å; M38-L58 PolarHBondContact O-N 3.02Å; F56-L58 HydrophobicContact CD2-CD2 4.24Å; F56-L58 HydrophobicContact CE2-CD2 3.71Å; L58-V60 HydrophobicContact CB-CG2 3.83Å; L58-V60 PolarHBondContact O-N 3.35Å; L58-Q70 HydrophobicContact CD1-CB 4.2Å; L58-A73 HydrophobicContact CB-CB 4.17Å; L58-A73 HydrophobicContact CD1-CB 4.19Å; L58-A73 HydrophobicContact CD2-CB 3.91Å; L58-A73 HydrophobicContact CG-CB 4.29Å; L58-Y76 HydrophobicContact CD2-CD1 4.01Å; L58-Y76 HydrophobicContact CD2-CE1 4.49Å; L58-M77 HydrophobicContact CD1-SD 4.05Å; L58-M77 HydrophobicContact CD2-CG 3.49Å; L58-M77 VanDerWaalsContact CD2-CG 3.49Å; L58-M77 HydrophobicContact CD2-SD 4.09Å |
| 59 | P | 84.6 | Confident | 80.2 | Confident | 98 Ų | 98 | 45.9 Ų | 45.9 | 64% | 0.636 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 52.1 | 178.2 | 34.9 | -36.9 | 0 | 0 | 0 | 110.8 | Y76 | P59-Y76 HydrophobicContact CG-CD2 4.13Å; P59-Y76 HydrophobicContact CG-CG 4.21Å |
| 60 | V | 77.9 | Confident | 78.6 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 135 | 178.4 | -59.5 | 0 | 0 | 0 | 0 | 108.2 | M38 L58 G62 A72 A73 | M38-V60 HydrophobicContact CG-CG2 3.4Å; M38-V60 VanDerWaalsContact CG-CG2 3.4Å; M38-V60 HydrophobicContact SD-CG2 3.57Å; M38-V60 VanDerWaalsContact SD-CG2 3.57Å; L58-V60 HydrophobicContact CB-CG2 3.83Å; L58-V60 PolarHBondContact O-N 3.35Å; V60-G62 PolarHBondContact O-N 3.27Å; V60-A72 HydrophobicContact CG1-CB 4.1Å; V60-A73 HydrophobicContact CG1-CB 3.98Å |
| 61 | E | 70.1 | Confident | 77.3 | Confident | 142 Ų | 142 | 46.8 Ų | 46.8 | 66% | 0.664 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 122 | 165.7 | -69.3 | 178.7 | 178.7 | 0 | 0 | 107.3 | T63 | E61-T63 HydrophobicContact CB-CG2 4.28Å; E61-T63 PolarHBondContact O-N 3.33Å; E61-T63 VanDerWaalsContact O-N 3.1Å |
| 62 | G | 61.9 | Low | 76.2 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 110.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | E36 V60 | E36-G62 WeakPolarHBondContact CB-O 3.33Å; E36-G62 CarbonylContact O-C 3.57Å; E36-G62 VanDerWaalsContact O-CA 3.28Å; E36-G62 WeakPolarHBondContact O-CA 3.48Å; E36-G62 PolarHBondContact O-N 3.32Å; E36-G62 VanDerWaalsContact O-O 3.07Å; V60-G62 PolarHBondContact O-N 3.27Å |
| 63 | T | 58 | Low | 75.3 | Confident | 44 Ų | 44 | 50.2 Ų | 50.2 | 27% | 0.27 | 29% | 0.291 | S | S | . | . | trans | -119 | 127.1 | 170.6 | 57 | 0 | 0 | 0 | 0 | 107.6 | E61 T65 R66 | E61-T63 HydrophobicContact CB-CG2 4.28Å; E61-T63 PolarHBondContact O-N 3.33Å; E61-T63 VanDerWaalsContact O-N 3.1Å; T63-T65 WeakPolarHBondContact CB-OG1 3.09Å; T63-T65 PolarHBondContact O-N 3.18Å; T63-T65 PolarHBondContact OG1-OG1 3.38Å; T63-R66 PolarHBondContact O-N 3.01Å; T63-R66 VanDerWaalsContact O-N 3.08Å | ||
| 64 | E | 60.8 | Low | 74.6 | Confident | 57 Ų | 57 | 52.5 Ų | 52.5 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 18.2 | 166.5 | -50.5 | 175.2 | 121.3 | 0 | 0 | 112.8 | E36 Y103 I110 K170 | E36-E64 WeakPolarHBondContact OE1-CG 3.34Å; E36-E64 WeakPolarHBondContact OE2-CG 3.48Å; E64-Y103 PolarHBondContact OE1-OH 3.36Å; E64-I110 VanDerWaalsContact C-CD1 3.5Å; E64-I110 WeakPolarHBondContact O-CD1 3.25Å; E64-K170 IonicContact OE1-NZ 3.22Å; E64-K170 PolarHBondContact OE1-NZ 3.46Å; E64-K170 IonicContact OE2-NZ 2.56Å; E64-K170 PolarHBondContact OE2-NZ 3.09Å |
| 65 | T | 58.8 | Low | 74 | Confident | 115 Ų | 115 | 60.3 Ų | 60.3 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | -12.1 | 177 | 58 | 0 | 0 | 0 | 0 | 111.6 | T63 | T63-T65 WeakPolarHBondContact CB-OG1 3.09Å; T63-T65 PolarHBondContact O-N 3.18Å; T63-T65 PolarHBondContact OG1-OG1 3.38Å |
| 66 | R | 62.1 | Low | 73.5 | Confident | 170 Ų | 170 | 65.2 Ų | 65.2 | 64% | 0.642 | 35% | 0.353 | S | S | * | . | trans | -117.3 | 105.1 | -176.4 | -68.4 | -175.2 | -177.9 | -176.2 | 3.6 | 111.2 | T63 N68 A69 | T63-R66 PolarHBondContact O-N 3.01Å; T63-R66 VanDerWaalsContact O-N 3.08Å; R66-N68 PolarHBondContact O-N 3.21Å; R66-A69 HydrophobicContact CB-CB 4.3Å | ||
| 67 | V | 58.1 | Low | 73.1 | Confident | 84 Ų | 84 | 65.2 Ų | 65.2 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 128.5 | 165.4 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | I110 | V67-I110 HydrophobicContact CG2-CG1 4.31Å; V67-I110 HydrophobicContact CG2-CG2 4.28Å |
| 68 | N | 67 | Low | 72.7 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 22% | 0.219 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 42.6 | 176.4 | -163.9 | 27.2 | 0 | 0 | 0 | 114.5 | R66 Q70 A71 T114 | R66-N68 PolarHBondContact O-N 3.21Å; N68-Q70 PolarHBondContact O-N 2.88Å; N68-Q70 VanDerWaalsContact O-N 3.08Å; N68-Q70 WeakPolarHBondContact OD1-CG 3.31Å; N68-Q70 PolarHBondContact OD1-NE2 2.79Å; N68-A71 VanDerWaalsContact O-CB 3.25Å; N68-A71 WeakPolarHBondContact O-CB 3.35Å; N68-A71 PolarHBondContact O-N 3.03Å; N68-T114 PolarHBondContact N-OG1 3.06Å |
| 69 | A | 64 | Low | 72.6 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 13% | 0.132 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -53.1 | -29.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | M38 R66 A71 A72 | M38-A69 HydrophobicContact SD-CB 3.78Å; R66-A69 HydrophobicContact CB-CB 4.3Å; A69-A71 PolarHBondContact O-N 3.09Å; A69-A71 VanDerWaalsContact O-N 3.13Å; A69-A72 PolarHBondContact O-N 2.71Å |
| 70 | Q | 63.7 | Low | 72.8 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -57.1 | -22.7 | 171.7 | 61.6 | -179.5 | 11.3 | 0 | 0 | 114.1 | M38 L58 N68 A72 A73 Y74 M77 N118 | M38-Q70 HydrophobicContact CE-CB 3.82Å; L58-Q70 HydrophobicContact CD1-CB 4.2Å; N68-Q70 PolarHBondContact O-N 2.88Å; N68-Q70 VanDerWaalsContact O-N 3.08Å; N68-Q70 WeakPolarHBondContact OD1-CG 3.31Å; N68-Q70 PolarHBondContact OD1-NE2 2.79Å; Q70-A72 PolarHBondContact O-N 2.96Å; Q70-A73 CarbonylContact O-C 3.57Å; Q70-A73 WeakPolarHBondContact O-CA 3.4Å; Q70-A73 PolarHBondContact O-N 3.31Å; Q70-Y74 PolarHBondContact O-N 2.81Å; Q70-M77 HydrophobicContact CB-CE 4.21Å; Q70-M77 VanDerWaalsContact O-CE 3.23Å; Q70-M77 WeakPolarHBondContact O-CE 3.33Å; Q70-N118 PolarHBondContact NE2-ND2 2.94Å; Q70-N118 PolarHBondContact NE2-OD1 3.23Å; Q70-N118 PolarHBondContact OE1-ND2 3.19Å |
| 71 | A | 72.2 | Confident | 73.3 | Confident | 39 Ų | 39 | 66.2 Ų | 66.2 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -63.9 | -32.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | N68 A69 A73 Y74 | N68-A71 VanDerWaalsContact O-CB 3.25Å; N68-A71 WeakPolarHBondContact O-CB 3.35Å; N68-A71 PolarHBondContact O-N 3.03Å; A69-A71 PolarHBondContact O-N 3.09Å; A69-A71 VanDerWaalsContact O-N 3.13Å; A71-A73 PolarHBondContact O-N 2.68Å; A71-Y74 VanDerWaalsContact CA-CD2 3.45Å; A71-Y74 VanDerWaalsContact CA-CE2 3.48Å; A71-Y74 HydrophobicContact CB-CD2 3.89Å; A71-Y74 HydrophobicContact CB-CE2 3.58Å; A71-Y74 WeakPolarHBondContact O-CD2 3.47Å; A71-Y74 PolarHBondContact O-N 3.09Å |
| 72 | A | 74.1 | Confident | 74.3 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 73% | 0.727 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -65.3 | -15.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V60 A69 Q70 | V60-A72 HydrophobicContact CG1-CB 4.1Å; A69-A72 PolarHBondContact O-N 2.71Å; Q70-A72 PolarHBondContact O-N 2.96Å |
| 73 | A | 79.7 | Confident | 75.6 | Confident | 2 Ų | 2 | 69 Ų | 69 | 2% | 0.017 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -110.5 | 12.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L58 V60 Q70 A71 E75 Y76 M77 | L58-A73 HydrophobicContact CB-CB 4.17Å; L58-A73 HydrophobicContact CD1-CB 4.19Å; L58-A73 HydrophobicContact CD2-CB 3.91Å; L58-A73 HydrophobicContact CG-CB 4.29Å; V60-A73 HydrophobicContact CG1-CB 3.98Å; Q70-A73 CarbonylContact O-C 3.57Å; Q70-A73 WeakPolarHBondContact O-CA 3.4Å; Q70-A73 PolarHBondContact O-N 3.31Å; A71-A73 PolarHBondContact O-N 2.68Å; A73-E75 VanDerWaalsContact C-N 3.31Å; A73-E75 PolarHBondContact O-N 2.69Å; A73-Y76 WeakPolarHBondContact O-CB 3.38Å; A73-Y76 PolarHBondContact O-N 3.31Å; A73-Y76 VanDerWaalsContact O-N 3.14Å; A73-M77 WeakPolarHBondContact O-CG 3.49Å; A73-M77 PolarHBondContact O-N 2.94Å |
| 74 | Y | 81.3 | Confident | 77.1 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57 | -43 | 180 | -84 | -47.9 | 0 | 0 | 0 | 113 | Q70 A71 Y76 M77 A78 | Q70-Y74 PolarHBondContact O-N 2.81Å; A71-Y74 VanDerWaalsContact CA-CD2 3.45Å; A71-Y74 VanDerWaalsContact CA-CE2 3.48Å; A71-Y74 HydrophobicContact CB-CD2 3.89Å; A71-Y74 HydrophobicContact CB-CE2 3.58Å; A71-Y74 WeakPolarHBondContact O-CD2 3.47Å; A71-Y74 PolarHBondContact O-N 3.09Å; Y74-Y76 PolarHBondContact O-N 3.42Å; Y74-M77 HydrophobicContact CD1-CE 3.28Å; Y74-M77 HydrophobicContact CE1-CE 3.68Å; Y74-M77 HydrophobicContact CG-CE 4.04Å; Y74-M77 PolarHBondContact O-N 2.94Å; Y74-A78 PolarHBondContact O-N 2.87Å |
| 75 | E | 83.9 | Confident | 78.6 | Confident | 176 Ų | 176 | 69.3 Ų | 69.3 | 82% | 0.822 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | 176.6 | -64.5 | -179.1 | 173.9 | 0 | 0 | 111.4 | A73 A78 A79 | A73-E75 VanDerWaalsContact C-N 3.31Å; A73-E75 PolarHBondContact O-N 2.69Å; E75-A78 PolarHBondContact O-N 3.19Å; E75-A79 WeakPolarHBondContact O-CB 3.23Å; E75-A79 PolarHBondContact O-N 3.06Å |
| 76 | Y | 86.7 | Confident | 80.2 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 41% | 0.408 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 176.7 | -175.7 | -85.1 | 0 | 0 | 0 | 111.7 | F56 L58 P59 A73 Y74 A79 Y80 | F56-Y76 AromaticContact CD2-CE1 3.85Å; F56-Y76 HydrophobicContact CD2-CE1 3.85Å; F56-Y76 HydrophobicContact CE2-CD1 4.16Å; F56-Y76 AromaticContact CE2-CE1 3.91Å; F56-Y76 HydrophobicContact CE2-CE1 3.91Å; L58-Y76 HydrophobicContact CD2-CD1 4.01Å; L58-Y76 HydrophobicContact CD2-CE1 4.49Å; P59-Y76 HydrophobicContact CG-CD2 4.13Å; P59-Y76 HydrophobicContact CG-CG 4.21Å; A73-Y76 WeakPolarHBondContact O-CB 3.38Å; A73-Y76 PolarHBondContact O-N 3.31Å; A73-Y76 VanDerWaalsContact O-N 3.14Å; Y74-Y76 PolarHBondContact O-N 3.42Å; Y76-A79 PolarHBondContact O-N 3.22Å; Y76-Y80 HydrophobicContact CE1-CD2 4.34Å; Y76-Y80 VanDerWaalsContact O-CB 3.28Å; Y76-Y80 WeakPolarHBondContact O-CB 3.45Å; Y76-Y80 PolarHBondContact O-N 3.31Å |
| 77 | M | 86.2 | Confident | 81.5 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 5% | 0.054 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 179 | -73.1 | -173.5 | -70.2 | 0 | 0 | 111.8 | L40 F56 L58 Q70 A73 Y74 Y80 I81 | L40-M77 HydrophobicContact CD1-SD 3.9Å; L40-M77 HydrophobicContact CD2-CG 4.15Å; L40-M77 HydrophobicContact CD2-SD 3.82Å; L40-M77 HydrophobicContact CG-SD 4.33Å; F56-M77 HydrophobicContact CE2-CG 4.39Å; F56-M77 HydrophobicContact CZ-CG 4.43Å; L58-M77 HydrophobicContact CD1-SD 4.05Å; L58-M77 HydrophobicContact CD2-CG 3.49Å; L58-M77 VanDerWaalsContact CD2-CG 3.49Å; L58-M77 HydrophobicContact CD2-SD 4.09Å; Q70-M77 HydrophobicContact CB-CE 4.21Å; Q70-M77 VanDerWaalsContact O-CE 3.23Å; Q70-M77 WeakPolarHBondContact O-CE 3.33Å; A73-M77 WeakPolarHBondContact O-CG 3.49Å; A73-M77 PolarHBondContact O-N 2.94Å; Y74-M77 HydrophobicContact CD1-CE 3.28Å; Y74-M77 HydrophobicContact CE1-CE 3.68Å; Y74-M77 HydrophobicContact CG-CE 4.04Å; Y74-M77 PolarHBondContact O-N 2.94Å; M77-Y80 PolarHBondContact O-N 2.82Å; M77-I81 WeakPolarHBondContact O-CB 3.4Å; M77-I81 VanDerWaalsContact O-CG1 3.28Å; M77-I81 WeakPolarHBondContact O-CG1 3.23Å; M77-I81 PolarHBondContact O-N 3.26Å |
| 78 | A | 85.5 | Confident | 83 | Confident | 61 Ų | 61 | 66.3 Ų | 66.3 | 50% | 0.504 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.4 | -50.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y74 E75 Y80 I81 E82 | Y74-A78 PolarHBondContact O-N 2.87Å; E75-A78 PolarHBondContact O-N 3.19Å; A78-Y80 PolarHBondContact O-N 3.35Å; A78-I81 PolarHBondContact O-N 3.11Å; A78-E82 WeakPolarHBondContact O-CB 3.06Å; A78-E82 PolarHBondContact O-N 3.02Å |
| 79 | A | 88.7 | Confident | 84.1 | Confident | 44 Ų | 44 | 69 Ų | 69 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E75 Y76 E82 N83 | E75-A79 WeakPolarHBondContact O-CB 3.23Å; E75-A79 PolarHBondContact O-N 3.06Å; Y76-A79 PolarHBondContact O-N 3.22Å; A79-E82 PolarHBondContact O-N 2.7Å; A79-N83 WeakPolarHBondContact O-CB 3.49Å; A79-N83 VanDerWaalsContact O-CG 3.3Å; A79-N83 PolarHBondContact O-N 2.88Å; A79-N83 PolarHBondContact O-ND2 3.19Å |
| 80 | Y | 88.9 | Confident | 85.2 | Confident | 48 Ų | 48 | 74.4 Ų | 74.4 | 19% | 0.188 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 178.6 | -175.7 | -84.3 | 0 | 0 | 0 | 111.5 | L42 F56 Y76 M77 A78 E82 N83 A84 R89 | L42-Y80 HydrophobicContact CD1-CE1 4.08Å; F56-Y80 HydrophobicContact CB-CD2 4.48Å; F56-Y80 HydrophobicContact CB-CE1 3.99Å; F56-Y80 HydrophobicContact CB-CE2 3.86Å; F56-Y80 AromaticContact CD1-CD1 3.42Å; F56-Y80 HydrophobicContact CD1-CD1 3.42Å; F56-Y80 VanDerWaalsContact CD1-CD1 3.42Å; F56-Y80 AromaticContact CD1-CE1 3.11Å; F56-Y80 HydrophobicContact CD1-CE1 3.11Å; F56-Y80 HydrophobicContact CD1-CE2 4.41Å; F56-Y80 HydrophobicContact CD1-CG 4.2Å; F56-Y80 AromaticContact CD1-CZ 3.67Å; F56-Y80 AromaticContact CD2-CD1 4Å; F56-Y80 HydrophobicContact CD2-CD1 4Å; F56-Y80 HydrophobicContact CD2-CD2 4.11Å; F56-Y80 HydrophobicContact CD2-CE1 4.22Å; F56-Y80 HydrophobicContact CD2-CE2 4.33Å; F56-Y80 AromaticContact CD2-CG 3.94Å; F56-Y80 HydrophobicContact CD2-CG 3.94Å; F56-Y80 AromaticContact CE1-CD1 3.28Å; F56-Y80 HydrophobicContact CE1-CD1 3.28Å; F56-Y80 AromaticContact CE1-CE1 3.46Å; F56-Y80 HydrophobicContact CE1-CE1 3.46Å; F56-Y80 VanDerWaalsContact CE1-CE1 3.46Å; F56-Y80 HydrophobicContact CE1-CG 4.12Å; F56-Y80 AromaticContact CE2-CD1 3.88Å; F56-Y80 HydrophobicContact CE2-CD1 3.88Å; F56-Y80 HydrophobicContact CE2-CD2 4.45Å; F56-Y80 HydrophobicContact CE2-CE1 4.49Å; F56-Y80 AromaticContact CE2-CG 3.86Å; F56-Y80 HydrophobicContact CE2-CG 3.86Å; F56-Y80 AromaticContact CG-CD1 3.76Å; F56-Y80 HydrophobicContact CG-CD1 3.76Å; F56-Y80 HydrophobicContact CG-CD2 4.18Å; F56-Y80 AromaticContact CG-CE1 3.53Å; F56-Y80 HydrophobicContact CG-CE1 3.53Å; F56-Y80 AromaticContact CG-CE2 3.97Å; F56-Y80 HydrophobicContact CG-CE2 3.97Å; F56-Y80 HydrophobicContact CG-CG 4.08Å; F56-Y80 AromaticContact CG-CZ 3.63Å; F56-Y80 AromaticContact CZ-CD1 3.51Å; F56-Y80 HydrophobicContact CZ-CD1 3.51Å; F56-Y80 HydrophobicContact CZ-CE1 4.14Å; F56-Y80 AromaticContact CZ-CG 3.94Å; F56-Y80 HydrophobicContact CZ-CG 3.94Å; Y76-Y80 HydrophobicContact CE1-CD2 4.34Å; Y76-Y80 VanDerWaalsContact O-CB 3.28Å; Y76-Y80 WeakPolarHBondContact O-CB 3.45Å; Y76-Y80 PolarHBondContact O-N 3.31Å; M77-Y80 PolarHBondContact O-N 2.82Å; A78-Y80 PolarHBondContact O-N 3.35Å; Y80-E82 VanDerWaalsContact C-N 3.32Å; Y80-E82 PolarHBondContact O-N 3.1Å; Y80-N83 PolarHBondContact O-N 3.32Å; Y80-A84 HydrophobicContact CE1-CB 4.36Å; Y80-A84 VanDerWaalsContact O-CB 3.23Å; Y80-A84 WeakPolarHBondContact O-CB 3.45Å; Y80-A84 PolarHBondContact O-N 2.89Å; Y80-R89 PolarHBondContact OH-NH1 2.87Å |
| 81 | I | 88 | Confident | 86.5 | Confident | 34 Ų | 34 | 77 Ų | 77 | 17% | 0.174 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 179.3 | -69.5 | 167.7 | 0 | 0 | 0 | 110.8 | L40 L42 M77 A78 A84 K85 | L40-I81 HydrophobicContact CD2-CD1 4.4Å; L42-I81 HydrophobicContact CD2-CG1 4.28Å; M77-I81 WeakPolarHBondContact O-CB 3.4Å; M77-I81 VanDerWaalsContact O-CG1 3.28Å; M77-I81 WeakPolarHBondContact O-CG1 3.23Å; M77-I81 PolarHBondContact O-N 3.26Å; A78-I81 PolarHBondContact O-N 3.11Å; I81-A84 PolarHBondContact O-N 2.87Å; I81-K85 WeakPolarHBondContact O-CG 3.34Å; I81-K85 PolarHBondContact O-N 3.41Å; I81-K85 VanDerWaalsContact O-N 3.16Å |
| 82 | E | 90.1 | Very high | 87.3 | Confident | 124 Ų | 124 | 79.7 Ų | 79.7 | 58% | 0.579 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.7 | -48.7 | 175.7 | -174.3 | 174.6 | 178.2 | 0 | 0 | 111.8 | A78 A79 Y80 A84 K85 Q86 | A78-E82 WeakPolarHBondContact O-CB 3.06Å; A78-E82 PolarHBondContact O-N 3.02Å; A79-E82 PolarHBondContact O-N 2.7Å; Y80-E82 VanDerWaalsContact C-N 3.32Å; Y80-E82 PolarHBondContact O-N 3.1Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 3.42Å; E82-K85 WeakPolarHBondContact O-CB 3.41Å; E82-K85 PolarHBondContact O-N 3.04Å; E82-Q86 PolarHBondContact O-N 2.98Å |
| 83 | N | 90.8 | Very high | 88.2 | Confident | 88 Ų | 88 | 76.9 Ų | 76.9 | 47% | 0.471 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 177.6 | -71.5 | -41.6 | 0 | 0 | 0 | 112.4 | A79 Y80 K85 Q86 V87 | A79-N83 WeakPolarHBondContact O-CB 3.49Å; A79-N83 VanDerWaalsContact O-CG 3.3Å; A79-N83 PolarHBondContact O-N 2.88Å; A79-N83 PolarHBondContact O-ND2 3.19Å; Y80-N83 PolarHBondContact O-N 3.32Å; N83-K85 VanDerWaalsContact C-N 3.28Å; N83-K85 PolarHBondContact O-N 3.01Å; N83-Q86 WeakPolarHBondContact O-CB 3.15Å; N83-Q86 PolarHBondContact O-N 3.37Å; N83-V87 PolarHBondContact O-N 3.25Å |
| 84 | A | 89.4 | Confident | 89 | Confident | 6 Ų | 6 | 77 Ų | 77 | 5% | 0.05 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y80 I81 E82 Q86 V87 G88 R89 | Y80-A84 HydrophobicContact CE1-CB 4.36Å; Y80-A84 VanDerWaalsContact O-CB 3.23Å; Y80-A84 WeakPolarHBondContact O-CB 3.45Å; Y80-A84 PolarHBondContact O-N 2.89Å; I81-A84 PolarHBondContact O-N 2.87Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 3.42Å; A84-Q86 VanDerWaalsContact C-N 3.34Å; A84-Q86 PolarHBondContact O-N 3.13Å; A84-V87 WeakPolarHBondContact O-CG2 3.48Å; A84-V87 PolarHBondContact O-N 3.49Å; A84-G88 PolarHBondContact O-N 3.32Å; A84-R89 CarbonylContact C-O 3.5Å; A84-R89 HydrophobicContact CB-CB 4.02Å; A84-R89 WeakPolarHBondContact O-CB 3.43Å; A84-R89 PolarHBondContact O-N 3.32Å |
| 85 | K | 90.6 | Very high | 89.8 | Confident | 103 Ų | 103 | 72.2 Ų | 72.2 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 175.9 | -71.3 | 170.9 | -177.7 | 177 | 0 | 112.5 | I81 E82 N83 V87 G88 R89 | I81-K85 WeakPolarHBondContact O-CG 3.34Å; I81-K85 PolarHBondContact O-N 3.41Å; I81-K85 VanDerWaalsContact O-N 3.16Å; E82-K85 WeakPolarHBondContact O-CB 3.41Å; E82-K85 PolarHBondContact O-N 3.04Å; N83-K85 VanDerWaalsContact C-N 3.28Å; N83-K85 PolarHBondContact O-N 3.01Å; K85-V87 PolarHBondContact O-N 3.4Å; K85-G88 PolarHBondContact O-N 2.98Å; K85-G88 VanDerWaalsContact O-N 3.09Å; K85-R89 WeakPolarHBondContact CA-O 3.42Å |
| 86 | Q | 92.6 | Very high | 90.4 | Very high | 140 Ų | 140 | 64.1 Ų | 64.1 | 65% | 0.654 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.8 | -27.1 | 177.7 | -63 | 178.4 | 25.4 | 0 | 0 | 112.8 | E82 N83 A84 | E82-Q86 PolarHBondContact O-N 2.98Å; N83-Q86 WeakPolarHBondContact O-CB 3.15Å; N83-Q86 PolarHBondContact O-N 3.37Å; A84-Q86 VanDerWaalsContact C-N 3.34Å; A84-Q86 PolarHBondContact O-N 3.13Å |
| 87 | V | 91.3 | Very high | 90.9 | Very high | 111 Ų | 111 | 59.3 Ų | 59.3 | 67% | 0.673 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 16 | 176.7 | -58.6 | 0 | 0 | 0 | 0 | 113.5 | N83 A84 K85 R89 | N83-V87 PolarHBondContact O-N 3.25Å; A84-V87 WeakPolarHBondContact O-CG2 3.48Å; A84-V87 PolarHBondContact O-N 3.49Å; K85-V87 PolarHBondContact O-N 3.4Å; V87-R89 HydrophobicContact CG2-CG 4.41Å |
| 88 | G | 88.9 | Confident | 91.3 | Very high | 55 Ų | 55 | 59 Ų | 59 | 57% | 0.567 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | 13.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A84 K85 L90 | A84-G88 PolarHBondContact O-N 3.32Å; K85-G88 PolarHBondContact O-N 2.98Å; K85-G88 VanDerWaalsContact O-N 3.09Å; G88-L90 PolarHBondContact O-N 2.9Å |
| 89 | R | 89.1 | Confident | 91.8 | Very high | 97 Ų | 97 | 56.1 Ų | 56.1 | 37% | 0.366 | 30% | 0.3 | S | S | . | . | trans | -86.7 | 104.4 | 168.2 | -64.7 | 178.9 | 178.5 | 169.4 | 0.2 | 108.8 | D54 Y80 A84 K85 V87 | D54-R89 IonicContact OD2-CZ 3.54Å; D54-R89 IonicContact OD2-NE 3.94Å; D54-R89 IonicContact OD2-NH1 3.29Å; D54-R89 PolarHBondContact OD2-NH1 3.1Å; Y80-R89 PolarHBondContact OH-NH1 2.87Å; A84-R89 CarbonylContact C-O 3.5Å; A84-R89 HydrophobicContact CB-CB 4.02Å; A84-R89 WeakPolarHBondContact O-CB 3.43Å; A84-R89 PolarHBondContact O-N 3.32Å; K85-R89 WeakPolarHBondContact CA-O 3.42Å; V87-R89 HydrophobicContact CG2-CG 4.41Å | ||
| 90 | L | 88.8 | Confident | 92.1 | Very high | 129 Ų | 129 | 54 Ų | 54 | 68% | 0.675 | 28% | 0.283 | S | S | * | . | trans | -97 | -9.2 | -170.6 | -58.4 | 179.2 | 0 | 0 | 0 | 112.8 | G88 | G88-L90 PolarHBondContact O-N 2.9Š| ||
| 91 | E | 89.9 | Confident | 92.3 | Very high | 57 Ų | 57 | 52.6 Ų | 52.6 | 27% | 0.266 | 28% | 0.279 | S | S | . | . | trans | -65 | 135.3 | 178.5 | -67.1 | 82.9 | 177 | 0 | 0 | 111.8 | L42 M53 | L42-E91 HydrophobicContact CB-CB 4.11Å; M53-E91 HydrophobicContact CB-CG 4.11Å; M53-E91 HydrophobicContact CG-CG 3.97Å | ||
| 92 | N | 89.4 | Confident | 92.5 | Very high | 95 Ų | 95 | 51.4 Ų | 51.4 | 51% | 0.508 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 174.2 | 173.4 | -62.4 | -56 | 0 | 0 | 0 | 110.2 | L42 G43 I94 | L42-N92 WeakPolarHBondContact CA-O 3.34Å; G43-N92 PolarHBondContact N-O 2.8Å; N92-I94 PolarHBondContact O-N 3.38Å |
| 93 | A | 93.1 | Very high | 92.6 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 133.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L40 M41 F125 | L40-A93 HydrophobicContact CD2-CB 3.98Å; L40-A93 HydrophobicContact CG-CB 4.47Å; M41-A93 WeakPolarHBondContact O-CA 3.34Å; A93-F125 HydrophobicContact CB-CE2 4.21Å |
| 94 | I | 96.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | -10.8 | 178.5 | -163.8 | 56.1 | 0 | 0 | 0 | 112.3 | M41 V45 M50 I52 N92 P124 F125 V126 | M41-I94 HydrophobicContact CB-CG2 4.04Å; M41-I94 PolarHBondContact O-N 2.84Å; V45-I94 HydrophobicContact CG1-CD1 3.76Å; M50-I94 HydrophobicContact CE-CD1 3.72Å; M50-I94 HydrophobicContact CE-CG1 3.83Å; M50-I94 WeakPolarHBondContact CE-O 3.35Å; I52-I94 HydrophobicContact CG1-CG2 3.93Å; N92-I94 PolarHBondContact O-N 3.38Å; I94-P124 HydrophobicContact CD1-CG 4.04Å; I94-F125 WeakPolarHBondContact O-CA 3.49Å; I94-V126 PolarHBondContact O-N 2.87Å; I94-V126 VanDerWaalsContact O-N 3.09Å |
| 95 | G | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.6 | -176.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L40 M41 V126 | L40-G95 WeakPolarHBondContact CD1-O 3.46Å; M41-G95 PolarHBondContact N-O 2.81Å; G95-V126 CarbonylContact C-O 3.54Å; G95-V126 WeakPolarHBondContact CA-O 3.5Å |
| 96 | W | 96.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 156.1 | 173.3 | 67.7 | -61 | 0 | 0 | 0 | 109.7 | M38 G39 L40 M41 H98 D111 T114 F125 V126 A127 V128 | M38-W96 HydrophobicContact CE-CE3 3.67Å; M38-W96 HydrophobicContact CE-CZ3 4.04Å; G39-W96 WeakPolarHBondContact O-CA 3.39Å; L40-W96 HydrophobicContact CD1-CB 4.37Å; M41-W96 WeakPolarHBondContact CE-O 3.36Å; W96-H98 HydrophobicContact CE3-CB 4.27Å; W96-H98 AromaticContact CE3-ND1 3.89Å; W96-H98 AromaticContact CH2-CE1 3.55Å; W96-H98 AromaticContact CH2-ND1 3.5Å; W96-H98 WeakPolarHBondContact CH2-ND1 3.3Å; W96-H98 HydrophobicContact CZ3-CB 3.86Å; W96-H98 AromaticContact CZ3-CE1 3.83Å; W96-H98 AromaticContact CZ3-CG 3.62Å; W96-H98 AromaticContact CZ3-ND1 3.29Å; W96-H98 VanDerWaalsContact CZ3-ND1 3.29Å; W96-H98 WeakPolarHBondContact CZ3-ND1 3.32Å; W96-D111 HydrophobicContact CH2-CB 4.3Å; W96-D111 HydrophobicContact CZ2-CB 4.49Å; W96-T114 HydrophobicContact CH2-CG2 4.32Å; W96-T114 HydrophobicContact CZ2-CG2 4.12Å; W96-F125 HydrophobicContact CB-CE1 3.88Å; W96-F125 HydrophobicContact CB-CZ 4.43Å; W96-F125 AromaticContact CD1-CD1 3.66Å; W96-F125 AromaticContact CD1-CE1 3.37Å; W96-F125 AromaticContact CG-CE1 3.91Å; W96-F125 HydrophobicContact CG-CE1 3.91Å; W96-V126 PolarHBondContact N-O 3.42Å; W96-A127 HydrophobicContact CZ2-CB 4.13Å; W96-A127 WeakPolarHBondContact O-CA 3.29Å; W96-V128 PolarHBondContact O-N 3.07Å |
| 97 | Y | 97.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 153 | 171.6 | 75.6 | -83.5 | 0 | 0 | 0 | 110.5 | M25 H28 M38 G39 M41 V128 I130 | M25-Y97 HydrophobicContact CB-CD2 3.85Å; M25-Y97 HydrophobicContact CB-CE2 3.79Å; M25-Y97 HydrophobicContact CB-CG 4.27Å; M25-Y97 HydrophobicContact CG-CD1 3.71Å; M25-Y97 HydrophobicContact CG-CD2 3.84Å; M25-Y97 HydrophobicContact CG-CE1 3.7Å; M25-Y97 HydrophobicContact CG-CE2 3.84Å; M25-Y97 HydrophobicContact CG-CG 3.77Å; M25-Y97 HydrophobicContact SD-CD1 3.64Å; M25-Y97 HydrophobicContact SD-CD2 4.12Å; M25-Y97 HydrophobicContact SD-CE1 4.24Å; M25-Y97 HydrophobicContact SD-CG 3.56Å; M25-Y97 VanDerWaalsContact SD-CG 3.56Å; H28-Y97 AromaticContact ND1-CE2 3.79Å; H28-Y97 AromaticContact ND1-CZ 3.69Å; H28-Y97 PolarHBondContact ND1-OH 3.46Å; M38-Y97 CarbonylContact C-O 3.57Å; M38-Y97 WeakPolarHBondContact CA-O 3.45Å; M38-Y97 WeakPolarHBondContact CB-O 3.29Å; G39-Y97 VanDerWaalsContact C-CE1 3.45Å; G39-Y97 PolarHBondContact N-O 3.08Å; G39-Y97 WeakPolarHBondContact O-CD1 3.22Å; G39-Y97 PolarHBondContact O-N 2.83Å; M41-Y97 HydrophobicContact CG-CD1 3.86Å; Y97-V128 CarbonylContact C-O 3.59Å; Y97-V128 WeakPolarHBondContact CA-O 3.25Å; Y97-V128 WeakPolarHBondContact CB-O 3.42Å; Y97-I130 HydrophobicContact CD2-CD1 4.32Å |
| 98 | H | 95.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 2% | 0.023 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 169.7 | 170.4 | 68.5 | -68.4 | 0 | 0 | 0 | 111.4 | V37 M38 W96 H100 D111 V128 V129 I130 | V37-H98 CarbonylContact O-C 3.48Å; V37-H98 WeakPolarHBondContact O-CA 3.18Å; V37-H98 WeakPolarHBondContact O-CB 3.26Å; M38-H98 HydrophobicContact CB-CB 3.84Å; W96-H98 HydrophobicContact CE3-CB 4.27Å; W96-H98 AromaticContact CE3-ND1 3.89Å; W96-H98 AromaticContact CH2-CE1 3.55Å; W96-H98 AromaticContact CH2-ND1 3.5Å; W96-H98 WeakPolarHBondContact CH2-ND1 3.3Å; W96-H98 HydrophobicContact CZ3-CB 3.86Å; W96-H98 AromaticContact CZ3-CE1 3.83Å; W96-H98 AromaticContact CZ3-CG 3.62Å; W96-H98 AromaticContact CZ3-ND1 3.29Å; W96-H98 VanDerWaalsContact CZ3-ND1 3.29Å; W96-H98 WeakPolarHBondContact CZ3-ND1 3.32Å; H98-H100 AromaticContact CD2-CD2 3.45Å; H98-H100 PolarHBondContact CD2-CD2 3.45Å; H98-H100 VanDerWaalsContact CD2-CD2 3.45Å; H98-H100 AromaticContact CD2-NE2 3.35Å; H98-H100 PolarHBondContact CD2-NE2 3.2Å; H98-H100 AromaticContact NE2-CD2 3.46Å; H98-H100 PolarHBondContact NE2-CD2 3.29Å; H98-H100 AromaticContact NE2-CE1 3.75Å; H98-H100 AromaticContact NE2-NE2 2.9Å; H98-H100 PolarHBondContact NE2-NE2 2.86Å; H98-D111 IonicContact CD2-OD1 3.45Å; H98-D111 IonicContact CE1-OD1 2.69Å; H98-D111 IonicContact CE1-OD2 3.47Å; H98-D111 IonicContact NE2-OD1 3.31Å; H98-D111 PolarHBondContact NE2-OD1 3.38Å; H98-D111 IonicContact NE2-OD2 3.31Å; H98-D111 PolarHBondContact NE2-OD2 2.94Å; H98-V128 PolarHBondContact N-O 2.93Å; H98-V129 WeakPolarHBondContact O-CA 3.24Å; H98-I130 PolarHBondContact O-N 2.85Å |
| 99 | S | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139.7 | -178.6 | 62.6 | 0 | 0 | 0 | 0 | 112.2 | E36 V37 P101 I130 | E36-S99 WeakPolarHBondContact CA-OG 3.49Å; E36-S99 VanDerWaalsContact CB-O 3.3Å; E36-S99 WeakPolarHBondContact CB-O 3.42Å; E36-S99 VanDerWaalsContact CG-O 3.23Å; E36-S99 WeakPolarHBondContact CG-O 3.18Å; V37-S99 PolarHBondContact N-OG 2.94Å; V37-S99 PolarHBondContact O-N 3.33Å; S99-P101 WeakPolarHBondContact O-CD 3.1Å; S99-I130 CarbonylContact C-O 3.5Å; S99-I130 WeakPolarHBondContact CA-O 3.45Å |
| 100 | H | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -116.6 | 88.3 | 169.4 | -77.7 | -168 | 0 | 0 | 0 | 109.5 | H98 G102 Y103 G104 W106 D111 V129 I130 D131 | H98-H100 AromaticContact CD2-CD2 3.45Å; H98-H100 PolarHBondContact CD2-CD2 3.45Å; H98-H100 VanDerWaalsContact CD2-CD2 3.45Å; H98-H100 AromaticContact CD2-NE2 3.35Å; H98-H100 PolarHBondContact CD2-NE2 3.2Å; H98-H100 AromaticContact NE2-CD2 3.46Å; H98-H100 PolarHBondContact NE2-CD2 3.29Å; H98-H100 AromaticContact NE2-CE1 3.75Å; H98-H100 AromaticContact NE2-NE2 2.9Å; H98-H100 PolarHBondContact NE2-NE2 2.86Å; H100-G102 PolarHBondContact O-N 2.97Å; H100-G102 VanDerWaalsContact O-N 3.11Å; H100-Y103 WeakPolarHBondContact CA-OH 3.24Å; H100-Y103 HydrophobicContact CB-CD2 4.02Å; H100-Y103 HydrophobicContact CB-CE1 4.04Å; H100-Y103 HydrophobicContact CB-CE2 3.44Å; H100-Y103 VanDerWaalsContact CB-CE2 3.44Å; H100-Y103 VanDerWaalsContact CB-CZ 3.43Å; H100-Y103 WeakPolarHBondContact CB-OH 3.49Å; H100-Y103 AromaticContact CD2-CE2 3.84Å; H100-Y103 AromaticContact CD2-CZ 3.71Å; H100-Y103 PolarHBondContact CD2-OH 3.03Å; H100-Y103 AromaticContact CE1-CE2 3.78Å; H100-Y103 AromaticContact CG-CE2 3.26Å; H100-Y103 AromaticContact CG-CZ 3.43Å; H100-Y103 VanDerWaalsContact CG-CZ 3.43Å; H100-Y103 AromaticContact ND1-CE2 3.24Å; H100-Y103 WeakPolarHBondContact ND1-CE2 3.21Å; H100-Y103 AromaticContact ND1-CZ 3.91Å; H100-Y103 PolarHBondContact NE2-OH 3.41Å; H100-G104 VanDerWaalsContact CB-O 3.24Å; H100-G104 WeakPolarHBondContact CB-O 3.39Å; H100-G104 PolarHBondContact ND1-O 3.41Å; H100-W106 PolarHBondContact CE1-O 2.83Å; H100-W106 PolarHBondContact ND1-O 2.84Å; H100-D111 IonicContact CE1-OD2 3.19Å; H100-D111 PolarHBondContact CE1-OD2 3.46Å; H100-D111 IonicContact NE2-OD2 2.65Å; H100-D111 PolarHBondContact NE2-OD2 2.8Å; H100-V129 HydrophobicContact CB-CG1 3.82Å; H100-V129 VanDerWaalsContact CG-CG1 3.49Å; H100-I130 PolarHBondContact N-O 2.97Å; H100-D131 WeakPolarHBondContact O-CB 3.35Å; H100-D131 VanDerWaalsContact O-OD2 3.13Å | ||
| 101 | P | 94.1 | Very high | 93.7 | Very high | 19 Ų | 19 | 15.2 Ų | 15.2 | 12% | 0.123 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 107.6 | -172.6 | -19.1 | 33.2 | 0 | 0 | 0 | 112.7 | S99 Y103 P132 | S99-P101 WeakPolarHBondContact O-CD 3.1Å; P101-Y103 WeakPolarHBondContact O-CD1 3.41Å; P101-P132 HydrophobicContact CB-CG 4.4Å; P101-P132 HydrophobicContact CG-CG 4.43Å |
| 102 | G | 91.8 | Very high | 93.8 | Very high | 9 Ų | 9 | 12.6 Ų | 12.6 | 9% | 0.093 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -5.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116 | H100 D131 R134 | H100-G102 PolarHBondContact O-N 2.97Å; H100-G102 VanDerWaalsContact O-N 3.11Å; G102-D131 WeakPolarHBondContact CA-OD2 3.37Å; G102-D131 VanDerWaalsContact N-CG 3.26Å; G102-D131 PolarHBondContact N-OD1 2.87Å; G102-D131 PolarHBondContact N-OD2 3.27Å; G102-D131 VanDerWaalsContact N-OD2 3.09Å; G102-R134 PolarHBondContact O-NE 3.46Å; G102-R134 PolarHBondContact O-NH2 2.89Å |
| 103 | Y | 91.6 | Very high | 94 | Very high | 20 Ų | 20 | 10.7 Ų | 10.7 | 8% | 0.078 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 15 | -176.8 | 62.4 | -93 | 0 | 0 | 0 | 114.4 | E36 E64 H100 P101 W106 D131 I166 K170 | E36-Y103 PolarHBondContact OE1-OH 2.94Å; E64-Y103 PolarHBondContact OE1-OH 3.36Å; H100-Y103 WeakPolarHBondContact CA-OH 3.24Å; H100-Y103 HydrophobicContact CB-CD2 4.02Å; H100-Y103 HydrophobicContact CB-CE1 4.04Å; H100-Y103 HydrophobicContact CB-CE2 3.44Å; H100-Y103 VanDerWaalsContact CB-CE2 3.44Å; H100-Y103 VanDerWaalsContact CB-CZ 3.43Å; H100-Y103 WeakPolarHBondContact CB-OH 3.49Å; H100-Y103 AromaticContact CD2-CE2 3.84Å; H100-Y103 AromaticContact CD2-CZ 3.71Å; H100-Y103 PolarHBondContact CD2-OH 3.03Å; H100-Y103 AromaticContact CE1-CE2 3.78Å; H100-Y103 AromaticContact CG-CE2 3.26Å; H100-Y103 AromaticContact CG-CZ 3.43Å; H100-Y103 VanDerWaalsContact CG-CZ 3.43Å; H100-Y103 AromaticContact ND1-CE2 3.24Å; H100-Y103 WeakPolarHBondContact ND1-CE2 3.21Å; H100-Y103 AromaticContact ND1-CZ 3.91Å; H100-Y103 PolarHBondContact NE2-OH 3.41Å; P101-Y103 WeakPolarHBondContact O-CD1 3.41Å; Y103-W106 AromaticContact CD2-CZ2 3.91Å; Y103-W106 HydrophobicContact CD2-CZ2 3.91Å; Y103-W106 AromaticContact CD2-NE1 3.59Å; Y103-W106 HydrophobicContact CE2-CZ2 4.1Å; Y103-W106 PolarHBondContact O-NE1 2.92Å; Y103-D131 PolarHBondContact N-OD2 3.03Å; Y103-I166 WeakPolarHBondContact O-CD1 3.48Å; Y103-K170 HydrophobicContact CD2-CG 4.43Å |
| 104 | G | 93.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | trans | 88.2 | 168.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115 | H100 D131 R134 | H100-G104 VanDerWaalsContact CB-O 3.24Å; H100-G104 WeakPolarHBondContact CB-O 3.39Å; H100-G104 PolarHBondContact ND1-O 3.41Å; G104-D131 PolarHBondContact N-OD2 3.24Å; G104-R134 VanDerWaalsContact N-CZ 3.33Å | ||
| 105 | C | 94.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 9.4 Ų | 9.4 | 2% | 0.02 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -95.5 | 105.1 | -177.5 | -63.5 | 0 | 0 | 0 | 0 | 110.4 | V129 N142 F146 Q164 | C105-V129 HydrophobicContact CB-CB 4.06Å; C105-V129 HydrophobicContact CB-CG1 4.19Å; C105-V129 PolarHBondContact SG-O 3.28Å; C105-V129 VanDerWaalsContact SG-O 3.38Å; C105-N142 PolarHBondContact SG-O 2.88Å; C105-N142 PolarHBondContact SG-OD1 3.38Å; C105-F146 HydrophobicContact CB-CE2 4.33Å; C105-F146 HydrophobicContact CB-CZ 4.34Å; C105-F146 VanDerWaalsContact O-CZ 3.31Å; C105-F146 WeakPolarHBondContact O-CZ 3.37Å; C105-Q164 PolarHBondContact O-NE2 2.69Å |
| 106 | W | 94.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.008 | 7% | 0.072 | C | C | . | . | trans | -159.4 | 169.6 | 178.1 | 57.7 | -80.9 | 0 | 0 | 0 | 109 | H100 Y103 K170 D173 F174 Y181 | H100-W106 PolarHBondContact CE1-O 2.83Å; H100-W106 PolarHBondContact ND1-O 2.84Å; Y103-W106 AromaticContact CD2-CZ2 3.91Å; Y103-W106 HydrophobicContact CD2-CZ2 3.91Å; Y103-W106 AromaticContact CD2-NE1 3.59Å; Y103-W106 HydrophobicContact CE2-CZ2 4.1Å; Y103-W106 PolarHBondContact O-NE1 2.92Å; W106-K170 HydrophobicContact CH2-CB 4.36Å; W106-K170 HydrophobicContact CH2-CD 4.45Å; W106-K170 HydrophobicContact CZ2-CB 3.9Å; W106-K170 HydrophobicContact CZ2-CD 4.24Å; W106-K170 HydrophobicContact CZ2-CG 4.34Å; W106-D173 HydrophobicContact CH2-CB 4.25Å; W106-D173 WeakPolarHBondContact CH2-OD2 3.41Å; W106-D173 HydrophobicContact CZ3-CB 4.41Å; W106-D173 WeakPolarHBondContact CZ3-OD2 3.24Å; W106-F174 HydrophobicContact CB-CD2 3.88Å; W106-F174 HydrophobicContact CB-CE2 3.95Å; W106-F174 HydrophobicContact CD2-CB 4.31Å; W106-F174 AromaticContact CD2-CD2 3.76Å; W106-F174 HydrophobicContact CD2-CD2 3.76Å; W106-F174 HydrophobicContact CE3-CB 3.96Å; W106-F174 AromaticContact CE3-CD2 3.76Å; W106-F174 HydrophobicContact CE3-CD2 3.76Å; W106-F174 HydrophobicContact CE3-CG 4.37Å; W106-F174 AromaticContact CG-CD2 3.8Å; W106-F174 HydrophobicContact CG-CD2 3.8Å; W106-F174 HydrophobicContact CG-CE2 4.29Å; W106-F174 HydrophobicContact CH2-CB 4.28Å; W106-F174 HydrophobicContact CZ3-CB 3.91Å; W106-Y181 WeakPolarHBondContact CB-OH 3.5Å | ||
| 107 | L | 93.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -104.6 | 123.9 | 177 | -56.6 | -176 | 0 | 0 | 0 | 110.9 | D111 V112 A127 V129 F146 T148 Y181 | L107-D111 HydrophobicContact CB-CB 3.82Å; L107-D111 HydrophobicContact CD2-CB 3.96Å; L107-D111 HydrophobicContact CG-CB 4.4Å; L107-V112 HydrophobicContact CB-CG2 3.88Å; L107-V112 HydrophobicContact CD1-CG2 4.48Å; L107-A127 HydrophobicContact CD1-CB 4.4Å; L107-A127 HydrophobicContact CD2-CB 3.99Å; L107-V129 HydrophobicContact CD2-CG2 3.69Å; L107-F146 HydrophobicContact CD1-CB 3.69Å; L107-F146 HydrophobicContact CD1-CG 4.43Å; L107-F146 HydrophobicContact CD2-CB 4.27Å; L107-F146 HydrophobicContact CD2-CD2 4.07Å; L107-F146 HydrophobicContact CD2-CG 4.4Å; L107-F146 HydrophobicContact CG-CB 3.93Å; L107-F146 HydrophobicContact CG-CD2 4.25Å; L107-F146 HydrophobicContact CG-CG 4.13Å; L107-T148 HydrophobicContact CD1-CG2 4.15Å; L107-Y181 HydrophobicContact CB-CD1 3.81Å; L107-Y181 HydrophobicContact CB-CE1 3.68Å; L107-Y181 HydrophobicContact CB-CG 4.35Å; L107-Y181 HydrophobicContact CD1-CD1 4.09Å; L107-Y181 HydrophobicContact CD1-CD2 4.48Å; L107-Y181 HydrophobicContact CD1-CG 3.95Å; L107-Y181 HydrophobicContact CG-CD1 4.23Å; L107-Y181 HydrophobicContact CG-CD2 4.48Å; L107-Y181 HydrophobicContact CG-CE1 4.39Å; L107-Y181 HydrophobicContact CG-CG 4.28Å; L107-Y181 PolarHBondContact N-OH 3.46Å; L107-Y181 WeakPolarHBondContact O-CE1 3.32Å | ||
| 108 | S | 92.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 15 Ų | 15 | 3% | 0.028 | 9% | 0.087 | C | C | . | . | trans | -68.8 | 171.5 | 169.6 | 68.6 | 0 | 0 | 0 | 0 | 112.2 | I110 D111 V112 D173 | S108-I110 PolarHBondContact O-N 2.95Å; S108-I110 PolarHBondContact OG-N 2.93Å; S108-D111 WeakPolarHBondContact CB-OD2 3.39Å; S108-D111 PolarHBondContact N-OD2 3.34Å; S108-D111 PolarHBondContact O-N 2.84Å; S108-D111 PolarHBondContact OG-N 3.48Å; S108-D111 PolarHBondContact OG-OD2 3.32Å; S108-V112 WeakPolarHBondContact O-CG2 3.4Å; S108-V112 PolarHBondContact O-N 3.15Å; S108-D173 VanDerWaalsContact CA-OD2 3.28Å; S108-D173 WeakPolarHBondContact CA-OD2 3.47Å; S108-D173 WeakPolarHBondContact CB-OD2 3.21Å | ||
| 109 | G | 91.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 16 Ų | 16 | 10% | 0.103 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.4 | -32 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | S113 D173 H177 | G109-S113 WeakPolarHBondContact O-CB 3.41Å; G109-S113 PolarHBondContact O-N 3.33Å; G109-S113 VanDerWaalsContact O-N 3.11Å; G109-S113 PolarHBondContact O-OG 3.08Å; G109-D173 PolarHBondContact N-OD2 2.92Å; G109-H177 WeakPolarHBondContact CA-NE2 3.4Å |
| 110 | I | 90.9 | Very high | 92.9 | Very high | 45 Ų | 45 | 22.6 Ų | 22.6 | 23% | 0.231 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -76.2 | -39.6 | 177.7 | -70 | 165.3 | 0 | 0 | 0 | 111 | E64 V67 S108 S113 T114 | E64-I110 VanDerWaalsContact C-CD1 3.5Å; E64-I110 WeakPolarHBondContact O-CD1 3.25Å; V67-I110 HydrophobicContact CG2-CG1 4.31Å; V67-I110 HydrophobicContact CG2-CG2 4.28Å; S108-I110 PolarHBondContact O-N 2.95Å; S108-I110 PolarHBondContact OG-N 2.93Å; I110-S113 PolarHBondContact O-N 3.28Å; I110-T114 WeakPolarHBondContact O-CB 3.42Å; I110-T114 PolarHBondContact O-N 3.4Å; I110-T114 PolarHBondContact O-OG1 3.12Å |
| 111 | D | 93.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 5% | 0.048 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 175.6 | -59.5 | -38.8 | 0 | 0 | 0 | 111.1 | W96 H98 H100 L107 S108 S113 T114 Q115 | W96-D111 HydrophobicContact CH2-CB 4.3Å; W96-D111 HydrophobicContact CZ2-CB 4.49Å; H98-D111 IonicContact CD2-OD1 3.45Å; H98-D111 IonicContact CE1-OD1 2.69Å; H98-D111 IonicContact CE1-OD2 3.47Å; H98-D111 IonicContact NE2-OD1 3.31Å; H98-D111 PolarHBondContact NE2-OD1 3.38Å; H98-D111 IonicContact NE2-OD2 3.31Å; H98-D111 PolarHBondContact NE2-OD2 2.94Å; H100-D111 IonicContact CE1-OD2 3.19Å; H100-D111 PolarHBondContact CE1-OD2 3.46Å; H100-D111 IonicContact NE2-OD2 2.65Å; H100-D111 PolarHBondContact NE2-OD2 2.8Å; L107-D111 HydrophobicContact CB-CB 3.82Å; L107-D111 HydrophobicContact CD2-CB 3.96Å; L107-D111 HydrophobicContact CG-CB 4.4Å; S108-D111 WeakPolarHBondContact CB-OD2 3.39Å; S108-D111 PolarHBondContact N-OD2 3.34Å; S108-D111 PolarHBondContact O-N 2.84Å; S108-D111 PolarHBondContact OG-N 3.48Å; S108-D111 PolarHBondContact OG-OD2 3.32Å; D111-S113 VanDerWaalsContact C-N 3.34Å; D111-S113 PolarHBondContact O-N 3.04Å; D111-T114 PolarHBondContact O-N 2.82Å; D111-Q115 WeakPolarHBondContact O-CB 3.49Å; D111-Q115 PolarHBondContact O-N 3.19Å |
| 112 | V | 93.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 175.3 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | L107 S108 T114 Q115 M116 T148 H177 Q180 Y181 | L107-V112 HydrophobicContact CB-CG2 3.88Å; L107-V112 HydrophobicContact CD1-CG2 4.48Å; S108-V112 WeakPolarHBondContact O-CG2 3.4Å; S108-V112 PolarHBondContact O-N 3.15Å; V112-T114 VanDerWaalsContact C-N 3.34Å; V112-T114 PolarHBondContact O-N 2.85Å; V112-Q115 PolarHBondContact O-N 2.98Å; V112-M116 HydrophobicContact CG1-CG 4.25Å; V112-M116 HydrophobicContact CG1-SD 3.91Å; V112-M116 WeakPolarHBondContact O-CB 3.28Å; V112-M116 VanDerWaalsContact O-CG 3.22Å; V112-M116 WeakPolarHBondContact O-CG 3.16Å; V112-M116 PolarHBondContact O-N 3.09Å; V112-T148 HydrophobicContact CB-CG2 4.26Å; V112-T148 HydrophobicContact CG1-CG2 3.88Å; V112-T148 HydrophobicContact CG2-CG2 4.28Å; V112-H177 HydrophobicContact CG2-CB 4.36Å; V112-Q180 HydrophobicContact CG1-CB 4.06Å; V112-Q180 HydrophobicContact CG2-CB 4.38Å; V112-Y181 HydrophobicContact CG2-CD1 3.81Å; V112-Y181 HydrophobicContact CG2-CE1 4.27Å |
| 113 | S | 92.2 | Very high | 92.5 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 39% | 0.385 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61 | -43.2 | 178.6 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | G109 I110 D111 L117 | G109-S113 WeakPolarHBondContact O-CB 3.41Å; G109-S113 PolarHBondContact O-N 3.33Å; G109-S113 VanDerWaalsContact O-N 3.11Å; G109-S113 PolarHBondContact O-OG 3.08Å; I110-S113 PolarHBondContact O-N 3.28Å; D111-S113 VanDerWaalsContact C-N 3.34Å; D111-S113 PolarHBondContact O-N 3.04Å; S113-L117 WeakPolarHBondContact O-CG 3.45Å; S113-L117 PolarHBondContact O-N 3.15Å; S113-L117 VanDerWaalsContact O-N 3.15Å |
| 114 | T | 91.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -45.5 | 177.8 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | N68 W96 I110 D111 V112 L117 N118 | N68-T114 PolarHBondContact N-OG1 3.06Å; W96-T114 HydrophobicContact CH2-CG2 4.32Å; W96-T114 HydrophobicContact CZ2-CG2 4.12Å; I110-T114 WeakPolarHBondContact O-CB 3.42Å; I110-T114 PolarHBondContact O-N 3.4Å; I110-T114 PolarHBondContact O-OG1 3.12Å; D111-T114 PolarHBondContact O-N 2.82Å; V112-T114 VanDerWaalsContact C-N 3.34Å; V112-T114 PolarHBondContact O-N 2.85Å; T114-L117 PolarHBondContact O-N 3.33Å; T114-N118 PolarHBondContact O-N 2.88Å; T114-N118 PolarHBondContact O-ND2 2.84Å |
| 115 | Q | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.1 | -37.3 | 179.4 | 178.3 | 58.7 | 12.6 | 0 | 0 | 112.2 | D111 V112 N118 Q119 F125 A127 T148 | D111-Q115 WeakPolarHBondContact O-CB 3.49Å; D111-Q115 PolarHBondContact O-N 3.19Å; V112-Q115 PolarHBondContact O-N 2.98Å; Q115-N118 PolarHBondContact O-N 2.93Å; Q115-Q119 WeakPolarHBondContact O-CB 3.34Å; Q115-Q119 WeakPolarHBondContact O-CG 3.32Å; Q115-Q119 PolarHBondContact O-N 2.91Å; Q115-F125 PolarHBondContact NE2-O 3.29Å; Q115-A127 HydrophobicContact CG-CB 4.17Å; Q115-T148 HydrophobicContact CB-CG2 3.81Å; Q115-T148 HydrophobicContact CG-CG2 3.61Å |
| 116 | M | 93.3 | Very high | 93 | Very high | 61 Ų | 61 | 34.1 Ų | 34.1 | 30% | 0.3 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 173.6 | -75.4 | 179 | 73 | 0 | 0 | 111.8 | V112 N118 Q119 Q120 T148 K151 | V112-M116 HydrophobicContact CG1-CG 4.25Å; V112-M116 HydrophobicContact CG1-SD 3.91Å; V112-M116 WeakPolarHBondContact O-CB 3.28Å; V112-M116 VanDerWaalsContact O-CG 3.22Å; V112-M116 WeakPolarHBondContact O-CG 3.16Å; V112-M116 PolarHBondContact O-N 3.09Å; M116-N118 VanDerWaalsContact C-N 3.34Å; M116-Q119 PolarHBondContact O-N 3.45Å; M116-Q120 WeakPolarHBondContact O-CB 3.39Å; M116-Q120 PolarHBondContact O-N 2.78Å; M116-T148 HydrophobicContact CG-CG2 4.29Å; M116-T148 WeakPolarHBondContact CG-OG1 3.33Å; M116-K151 HydrophobicContact CE-CB 4.02Å |
| 117 | L | 92.1 | Very high | 93.2 | Very high | 62 Ų | 62 | 34 Ų | 34 | 33% | 0.325 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 175.4 | -72.7 | 169.2 | 0 | 0 | 0 | 111 | S113 T114 Q120 F121 | S113-L117 WeakPolarHBondContact O-CG 3.45Å; S113-L117 PolarHBondContact O-N 3.15Å; S113-L117 VanDerWaalsContact O-N 3.15Å; T114-L117 PolarHBondContact O-N 3.33Å; L117-Q120 WeakPolarHBondContact O-CB 3.4Å; L117-Q120 PolarHBondContact O-N 3.1Å; L117-Q120 VanDerWaalsContact O-N 3.11Å; L117-F121 HydrophobicContact CD2-CE2 4.09Å; L117-F121 VanDerWaalsContact O-CD2 3.23Å; L117-F121 WeakPolarHBondContact O-CD2 3.29Å; L117-F121 PolarHBondContact O-N 2.94Å; L117-F121 VanDerWaalsContact O-N 3.1Å |
| 118 | N | 92.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.3 | -44.5 | 178 | -75.1 | -22.9 | 0 | 0 | 0 | 112.8 | Q70 T114 Q115 M116 Q120 F121 Q122 F125 | Q70-N118 PolarHBondContact NE2-ND2 2.94Å; Q70-N118 PolarHBondContact NE2-OD1 3.23Å; Q70-N118 PolarHBondContact OE1-ND2 3.19Å; T114-N118 PolarHBondContact O-N 2.88Å; T114-N118 PolarHBondContact O-ND2 2.84Å; Q115-N118 PolarHBondContact O-N 2.93Å; M116-N118 VanDerWaalsContact C-N 3.34Å; N118-Q120 PolarHBondContact O-N 3.03Å; N118-F121 PolarHBondContact O-N 3.44Å; N118-Q122 CarbonylContact O-C 3.59Å; N118-Q122 WeakPolarHBondContact O-CA 3.17Å; N118-Q122 PolarHBondContact O-N 2.98Å; N118-F125 HydrophobicContact CB-CB 4.25Å; N118-F125 HydrophobicContact CB-CD1 3.37Å; N118-F125 HydrophobicContact CB-CE1 3.73Å; N118-F125 HydrophobicContact CB-CG 3.88Å; N118-F125 VanDerWaalsContact ND2-CE1 3.35Å; N118-F125 WeakPolarHBondContact ND2-CE1 3.39Å |
| 119 | Q | 93.7 | Very high | 93.7 | Very high | 27 Ų | 27 | 33.8 Ų | 33.8 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.7 | -20.4 | 174.7 | -73.3 | -179 | -129.7 | 0 | 0 | 112.9 | Q115 M116 E123 F125 T148 | Q115-Q119 WeakPolarHBondContact O-CB 3.34Å; Q115-Q119 WeakPolarHBondContact O-CG 3.32Å; Q115-Q119 PolarHBondContact O-N 2.91Å; M116-Q119 PolarHBondContact O-N 3.45Å; Q119-E123 VanDerWaalsContact CA-OE2 3.31Å; Q119-E123 WeakPolarHBondContact CA-OE2 3.44Å; Q119-E123 WeakPolarHBondContact CB-OE2 3.31Å; Q119-E123 WeakPolarHBondContact CG-OE2 3.13Å; Q119-E123 WeakPolarHBondContact O-CB 3.12Å; Q119-F125 HydrophobicContact CG-CB 4.36Å; Q119-T148 PolarHBondContact NE2-O 3.38Å; Q119-T148 PolarHBondContact OE1-O 2.97Å; Q119-T148 PolarHBondContact OE1-OG1 2.87Å |
| 120 | Q | 91.6 | Very high | 94 | Very high | 139 Ų | 139 | 33.3 Ų | 33.3 | 65% | 0.65 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -81 | -40.3 | 176.2 | -173.6 | 171.3 | 12.4 | 0 | 0 | 112.4 | M116 L117 N118 | M116-Q120 WeakPolarHBondContact O-CB 3.39Å; M116-Q120 PolarHBondContact O-N 2.78Å; L117-Q120 WeakPolarHBondContact O-CB 3.4Å; L117-Q120 PolarHBondContact O-N 3.1Å; L117-Q120 VanDerWaalsContact O-N 3.11Å; N118-Q120 PolarHBondContact O-N 3.03Å |
| 121 | F | 89.9 | Confident | 94.3 | Very high | 151 Ų | 151 | 31.2 Ų | 31.2 | 66% | 0.662 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -108.4 | -21.2 | -170.3 | -62.1 | -69.8 | 0 | 0 | 0 | 114.9 | L117 N118 | L117-F121 HydrophobicContact CD2-CE2 4.09Å; L117-F121 VanDerWaalsContact O-CD2 3.23Å; L117-F121 WeakPolarHBondContact O-CD2 3.29Å; L117-F121 PolarHBondContact O-N 2.94Å; L117-F121 VanDerWaalsContact O-N 3.1Å; N118-F121 PolarHBondContact O-N 3.44Å |
| 122 | Q | 89.3 | Confident | 94.3 | Very high | 69 Ų | 69 | 30.9 Ų | 30.9 | 32% | 0.322 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -129.6 | 27 | -173.4 | -57.5 | -170.7 | 15.8 | 0 | 0 | 113.2 | N118 F125 | N118-Q122 CarbonylContact O-C 3.59Å; N118-Q122 WeakPolarHBondContact O-CA 3.17Å; N118-Q122 PolarHBondContact O-N 2.98Å; Q122-F125 HydrophobicContact CB-CD2 4.01Å; Q122-F125 HydrophobicContact CB-CE2 4.17Å |
| 123 | E | 93.1 | Very high | 94.3 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 23% | 0.234 | 16% | 0.156 | C | C | . | . | trans | -63.5 | 135.8 | -176.1 | -166.2 | 66.7 | 174.3 | 0 | 0 | 113 | W5 Q119 F125 R147 | W5-E123 HydrophobicContact CG-CG 4.47Å; Q119-E123 VanDerWaalsContact CA-OE2 3.31Å; Q119-E123 WeakPolarHBondContact CA-OE2 3.44Å; Q119-E123 WeakPolarHBondContact CB-OE2 3.31Å; Q119-E123 WeakPolarHBondContact CG-OE2 3.13Å; Q119-E123 WeakPolarHBondContact O-CB 3.12Å; E123-F125 PolarHBondContact OE2-N 3.36Å; E123-R147 IonicContact OE1-CZ 3.97Å; E123-R147 IonicContact OE1-NH1 3.2Å; E123-R147 PolarHBondContact OE1-NH1 3Å; E123-R147 IonicContact OE1-NH2 3.65Å; E123-R147 PolarHBondContact OE1-NH2 3.14Å; E123-R147 IonicContact OE2-NH1 3.38Å; E123-R147 PolarHBondContact OE2-NH1 3.48Å; E123-R147 IonicContact OE2-NH2 2.6Å | ||
| 124 | P | 95.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 14% | 0.143 | 14% | 0.138 | C | C | . | . | S | Bend | cis | -84.3 | 136.2 | 6.4 | 32.5 | -33.6 | 0 | 0 | 0 | 114.8 | W5 F12 V45 M50 I94 | W5-P124 HydrophobicContact CH2-CG 4.33Å; W5-P124 HydrophobicContact CZ2-CG 4.49Å; F12-P124 HydrophobicContact CE2-CB 3.85Å; F12-P124 HydrophobicContact CZ-CB 3.8Å; V45-P124 HydrophobicContact CG1-CB 4.21Å; V45-P124 HydrophobicContact CG1-CG 3.63Å; M50-P124 HydrophobicContact CE-CB 4.18Å; I94-P124 HydrophobicContact CD1-CG 4.04Å |
| 125 | F | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -134.2 | 137.6 | -178.9 | -136.9 | -106.9 | 0 | 0 | 0 | 114.4 | L40 A93 I94 W96 Q115 N118 Q119 Q122 E123 R147 | L40-F125 HydrophobicContact CD1-CZ 3.91Å; A93-F125 HydrophobicContact CB-CE2 4.21Å; I94-F125 WeakPolarHBondContact O-CA 3.49Å; W96-F125 HydrophobicContact CB-CE1 3.88Å; W96-F125 HydrophobicContact CB-CZ 4.43Å; W96-F125 AromaticContact CD1-CD1 3.66Å; W96-F125 AromaticContact CD1-CE1 3.37Å; W96-F125 AromaticContact CG-CE1 3.91Å; W96-F125 HydrophobicContact CG-CE1 3.91Å; Q115-F125 PolarHBondContact NE2-O 3.29Å; N118-F125 HydrophobicContact CB-CB 4.25Å; N118-F125 HydrophobicContact CB-CD1 3.37Å; N118-F125 HydrophobicContact CB-CE1 3.73Å; N118-F125 HydrophobicContact CB-CG 3.88Å; N118-F125 VanDerWaalsContact ND2-CE1 3.35Å; N118-F125 WeakPolarHBondContact ND2-CE1 3.39Å; Q119-F125 HydrophobicContact CG-CB 4.36Å; Q122-F125 HydrophobicContact CB-CD2 4.01Å; Q122-F125 HydrophobicContact CB-CE2 4.17Å; E123-F125 PolarHBondContact OE2-N 3.36Å; F125-R147 PolarHBondContact O-NH1 3.34Å | ||
| 126 | V | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 144.3 | 176.1 | 65.5 | 0 | 0 | 0 | 0 | 111.7 | M41 M50 I52 I94 G95 W96 A145 F146 R147 | M41-V126 HydrophobicContact CE-CG1 3.71Å; M50-V126 HydrophobicContact CE-CB 3.76Å; M50-V126 HydrophobicContact CE-CG1 3.92Å; M50-V126 HydrophobicContact SD-CB 3.77Å; M50-V126 HydrophobicContact SD-CG1 4.32Å; M50-V126 HydrophobicContact SD-CG2 4.44Å; I52-V126 HydrophobicContact CD1-CG1 4.33Å; I94-V126 PolarHBondContact O-N 2.87Å; I94-V126 VanDerWaalsContact O-N 3.09Å; G95-V126 CarbonylContact C-O 3.54Å; G95-V126 WeakPolarHBondContact CA-O 3.5Å; W96-V126 PolarHBondContact N-O 3.42Å; V126-A145 HydrophobicContact CG2-CB 4.21Å; V126-F146 WeakPolarHBondContact CG2-O 3.16Å; V126-R147 HydrophobicContact CB-CG 4.48Å; V126-R147 HydrophobicContact CG2-CG 4.25Å |
| 127 | A | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | W96 L107 Q115 A145 F146 | W96-A127 HydrophobicContact CZ2-CB 4.13Å; W96-A127 WeakPolarHBondContact O-CA 3.29Å; L107-A127 HydrophobicContact CD1-CB 4.4Å; L107-A127 HydrophobicContact CD2-CB 3.99Å; Q115-A127 HydrophobicContact CG-CB 4.17Å; A127-A145 CarbonylContact O-C 3.58Å; A127-A145 WeakPolarHBondContact O-CA 3.49Å; A127-F146 PolarHBondContact N-O 3.23Å; A127-F146 PolarHBondContact O-N 3.28Å |
| 128 | V | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.8 | 174.2 | 167.8 | 0 | 0 | 0 | 0 | 109.7 | M41 I52 W96 Y97 H98 I130 L143 G144 A145 | M41-V128 HydrophobicContact CE-CB 4.04Å; M41-V128 HydrophobicContact CE-CG2 3.68Å; M41-V128 HydrophobicContact SD-CB 4.04Å; M41-V128 HydrophobicContact SD-CG2 3.89Å; I52-V128 HydrophobicContact CD1-CG2 4.03Å; W96-V128 PolarHBondContact O-N 3.07Å; Y97-V128 CarbonylContact C-O 3.59Å; Y97-V128 WeakPolarHBondContact CA-O 3.25Å; Y97-V128 WeakPolarHBondContact CB-O 3.42Å; H98-V128 PolarHBondContact N-O 2.93Å; V128-I130 HydrophobicContact CG1-CG1 4.22Å; V128-L143 HydrophobicContact CG1-CD1 4.01Å; V128-L143 HydrophobicContact CG1-CD2 3.89Å; V128-L143 HydrophobicContact CG1-CG 3.84Å; V128-G144 CarbonylContact C-O 3.51Å; V128-G144 WeakPolarHBondContact CA-O 3.41Å; V128-A145 HydrophobicContact CG2-CB 4.02Å |
| 129 | V | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.3 | 177.7 | -169.4 | 0 | 0 | 0 | 0 | 109.2 | H98 H100 C105 L107 L143 G144 F146 | H98-V129 WeakPolarHBondContact O-CA 3.24Å; H100-V129 HydrophobicContact CB-CG1 3.82Å; H100-V129 VanDerWaalsContact CG-CG1 3.49Å; C105-V129 HydrophobicContact CB-CB 4.06Å; C105-V129 HydrophobicContact CB-CG1 4.19Å; C105-V129 PolarHBondContact SG-O 3.28Å; C105-V129 VanDerWaalsContact SG-O 3.38Å; L107-V129 HydrophobicContact CD2-CG2 3.69Å; V129-L143 VanDerWaalsContact O-CA 3.29Å; V129-L143 WeakPolarHBondContact O-CA 3.5Å; V129-G144 PolarHBondContact N-O 2.83Å; V129-G144 PolarHBondContact O-N 2.64Å; V129-F146 HydrophobicContact CB-CE2 4.07Å; V129-F146 HydrophobicContact CG2-CD2 3.85Å; V129-F146 HydrophobicContact CG2-CE2 3.78Å |
| 130 | I | 97.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130 | 178.4 | -58.5 | 175.1 | 0 | 0 | 0 | 109.5 | M25 V26 A29 Y97 H98 S99 H100 V128 P132 L143 | M25-I130 HydrophobicContact CB-CD1 3.34Å; M25-I130 HydrophobicContact CG-CD1 4.42Å; M25-I130 HydrophobicContact SD-CD1 4.48Å; V26-I130 HydrophobicContact CG2-CD1 4.45Å; V26-I130 HydrophobicContact CG2-CG2 4.26Å; A29-I130 HydrophobicContact CB-CB 4.37Å; A29-I130 HydrophobicContact CB-CG2 4.06Å; Y97-I130 HydrophobicContact CD2-CD1 4.32Å; H98-I130 PolarHBondContact O-N 2.85Å; S99-I130 CarbonylContact C-O 3.5Å; S99-I130 WeakPolarHBondContact CA-O 3.45Å; H100-I130 PolarHBondContact N-O 2.97Å; V128-I130 HydrophobicContact CG1-CG1 4.22Å; I130-P132 WeakPolarHBondContact O-CD 3.45Å; I130-L143 HydrophobicContact CD1-CD1 4.08Å; I130-L143 HydrophobicContact CG1-CB 4.48Å; I130-L143 HydrophobicContact CG1-CD1 3.86Å; I130-L143 HydrophobicContact CG1-CG 3.99Å |
| 131 | D | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -102.9 | 96.7 | 169.6 | -169.2 | -33.2 | 0 | 0 | 0 | 109.5 | H100 G102 Y103 G104 T133 R134 T135 N142 | H100-D131 WeakPolarHBondContact O-CB 3.35Å; H100-D131 VanDerWaalsContact O-OD2 3.13Å; G102-D131 WeakPolarHBondContact CA-OD2 3.37Å; G102-D131 VanDerWaalsContact N-CG 3.26Å; G102-D131 PolarHBondContact N-OD1 2.87Å; G102-D131 PolarHBondContact N-OD2 3.27Å; G102-D131 VanDerWaalsContact N-OD2 3.09Å; Y103-D131 PolarHBondContact N-OD2 3.03Å; G104-D131 PolarHBondContact N-OD2 3.24Å; D131-T133 VanDerWaalsContact C-N 3.27Å; D131-T133 PolarHBondContact O-N 3.01Å; D131-T133 PolarHBondContact OD1-N 3.01Å; D131-T133 VanDerWaalsContact OD1-N 3.09Å; D131-R134 HydrophobicContact CB-CB 4.07Å; D131-R134 HydrophobicContact CB-CG 4.41Å; D131-R134 VanDerWaalsContact CG-CG 3.49Å; D131-R134 PolarHBondContact OD1-N 3.35Å; D131-R134 WeakPolarHBondContact OD2-CD 3.43Å; D131-R134 WeakPolarHBondContact OD2-CG 3.42Å; D131-R134 IonicContact OD2-NE 2.87Å; D131-R134 PolarHBondContact OD2-NE 3.35Å; D131-T135 WeakPolarHBondContact O-CB 3.22Å; D131-T135 PolarHBondContact O-N 2.93Å; D131-T135 PolarHBondContact O-OG1 3.47Å; D131-N142 HydrophobicContact CB-CB 4.17Å; D131-N142 PolarHBondContact N-O 2.89Å | ||
| 132 | P | 94.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68 | -29.5 | -177.9 | 28.3 | -35.6 | 0 | 0 | 0 | 112.1 | A29 R30 P101 I130 I136 | A29-P132 HydrophobicContact CB-CB 4.05Å; A29-P132 HydrophobicContact CB-CG 4.05Å; R30-P132 HydrophobicContact CB-CB 4.34Å; P101-P132 HydrophobicContact CB-CG 4.4Å; P101-P132 HydrophobicContact CG-CG 4.43Å; I130-P132 WeakPolarHBondContact O-CD 3.45Å; P132-I136 WeakPolarHBondContact O-CG1 3.28Å; P132-I136 PolarHBondContact O-N 3.42Å |
| 133 | T | 93.6 | Very high | 93.1 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73 | -47.8 | -178.2 | -58.7 | 0 | 0 | 0 | 0 | 110.6 | D131 T135 I136 S137 Y221 | D131-T133 VanDerWaalsContact C-N 3.27Å; D131-T133 PolarHBondContact O-N 3.01Å; D131-T133 PolarHBondContact OD1-N 3.01Å; D131-T133 VanDerWaalsContact OD1-N 3.09Å; T133-T135 VanDerWaalsContact C-N 3.3Å; T133-T135 PolarHBondContact O-N 3.2Å; T133-I136 PolarHBondContact O-N 3.17Å; T133-S137 PolarHBondContact O-N 3.11Å; T133-S137 VanDerWaalsContact O-N 3.11Å; T133-Y221 HydrophobicContact CG2-CD1 4.09Å; T133-Y221 HydrophobicContact CG2-CD2 3.41Å; T133-Y221 VanDerWaalsContact CG2-CD2 3.41Å; T133-Y221 HydrophobicContact CG2-CE2 4.13Å; T133-Y221 HydrophobicContact CG2-CG 3.37Å |
| 134 | R | 93 | Very high | 93.3 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68 | -30.1 | 174.4 | -69.5 | -177 | -172.5 | -164.8 | -5.9 | 112.9 | G102 G104 D131 I136 S137 A138 N142 T165 Y221 | G102-R134 PolarHBondContact O-NE 3.46Å; G102-R134 PolarHBondContact O-NH2 2.89Å; G104-R134 VanDerWaalsContact N-CZ 3.33Å; D131-R134 HydrophobicContact CB-CB 4.07Å; D131-R134 HydrophobicContact CB-CG 4.41Å; D131-R134 VanDerWaalsContact CG-CG 3.49Å; D131-R134 PolarHBondContact OD1-N 3.35Å; D131-R134 WeakPolarHBondContact OD2-CD 3.43Å; D131-R134 WeakPolarHBondContact OD2-CG 3.42Å; D131-R134 IonicContact OD2-NE 2.87Å; D131-R134 PolarHBondContact OD2-NE 3.35Å; R134-I136 PolarHBondContact O-N 3.18Å; R134-S137 WeakPolarHBondContact CA-OG 3.33Å; R134-S137 PolarHBondContact O-N 3.33Å; R134-S137 PolarHBondContact O-OG 2.9Å; R134-A138 VanDerWaalsContact O-CB 3.3Å; R134-A138 WeakPolarHBondContact O-CB 3.41Å; R134-A138 PolarHBondContact O-N 3.43Å; R134-N142 HydrophobicContact CB-CB 4.18Å; R134-T165 PolarHBondContact NH1-O 3.45Å; R134-T165 PolarHBondContact NH2-O 3.36Å; R134-Y221 HydrophobicContact CG-CE2 4.4Å |
| 135 | T | 92 | Very high | 93.4 | Very high | 20 Ų | 20 | 23.5 Ų | 23.5 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.9 | -40.2 | 174.5 | -66.8 | 0 | 0 | 0 | 0 | 111.4 | D131 T133 G139 K140 V141 N142 | D131-T135 WeakPolarHBondContact O-CB 3.22Å; D131-T135 PolarHBondContact O-N 2.93Å; D131-T135 PolarHBondContact O-OG1 3.47Å; T133-T135 VanDerWaalsContact C-N 3.3Å; T133-T135 PolarHBondContact O-N 3.2Å; T135-G139 PolarHBondContact O-N 2.87Å; T135-K140 WeakPolarHBondContact CA-O 3.36Å; T135-K140 PolarHBondContact O-N 3.3Å; T135-V141 HydrophobicContact CG2-CG2 4.38Å; T135-N142 PolarHBondContact OG1-N 2.75Å |
| 136 | I | 86.1 | Confident | 93.4 | Very high | 48 Ų | 48 | 24 Ų | 24 | 25% | 0.246 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -74.7 | -42.2 | 178 | -67.5 | 164.8 | 0 | 0 | 0 | 111.2 | R30 P132 T133 R134 T217 N218 | R30-I136 VanDerWaalsContact NE-CD1 3.33Å; P132-I136 WeakPolarHBondContact O-CG1 3.28Å; P132-I136 PolarHBondContact O-N 3.42Å; T133-I136 PolarHBondContact O-N 3.17Å; R134-I136 PolarHBondContact O-N 3.18Å; I136-T217 HydrophobicContact CG2-CG2 4.22Å; I136-N218 HydrophobicContact CG2-CB 4.39Å |
| 137 | S | 82.8 | Confident | 93.4 | Very high | 6 Ų | 6 | 24.4 Ų | 24.4 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.4 | -42.7 | -177 | 76.8 | 0 | 0 | 0 | 0 | 112.9 | T133 R134 N218 E273 | T133-S137 PolarHBondContact O-N 3.11Å; T133-S137 VanDerWaalsContact O-N 3.11Å; R134-S137 WeakPolarHBondContact CA-OG 3.33Å; R134-S137 PolarHBondContact O-N 3.33Å; R134-S137 PolarHBondContact O-OG 2.9Å; S137-N218 VanDerWaalsContact CA-ND2 3.29Å; S137-N218 WeakPolarHBondContact CA-ND2 3.47Å; S137-N218 WeakPolarHBondContact CB-ND2 3.3Å; S137-E273 WeakPolarHBondContact CB-OE2 3.41Å; S137-E273 VanDerWaalsContact OG-CD 3.26Å; S137-E273 PolarHBondContact OG-OE1 2.95Å; S137-E273 PolarHBondContact OG-OE2 3.4Å |
| 138 | A | 84.1 | Confident | 93.3 | Very high | 48 Ų | 48 | 24.5 Ų | 24.5 | 40% | 0.397 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -85.6 | -13.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R134 K140 | R134-A138 VanDerWaalsContact O-CB 3.3Å; R134-A138 WeakPolarHBondContact O-CB 3.41Å; R134-A138 PolarHBondContact O-N 3.43Å; A138-K140 PolarHBondContact O-N 3.1Å |
| 139 | G | 82 | Confident | 93.1 | Very high | 74 Ų | 74 | 25.2 Ų | 25.2 | 76% | 0.763 | 16% | 0.155 | S | C | * | . | S | Bend | trans | 65.1 | 16.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | T135 | T135-G139 PolarHBondContact O-N 2.87Š|
| 140 | K | 89.2 | Confident | 92.8 | Very high | 157 Ų | 157 | 27.6 Ų | 27.6 | 68% | 0.683 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -135.9 | 134.8 | -179.1 | -177.9 | -178.6 | 176.6 | -171.6 | 0 | 108.6 | T135 A138 N142 | T135-K140 WeakPolarHBondContact CA-O 3.36Å; T135-K140 PolarHBondContact O-N 3.3Å; A138-K140 PolarHBondContact O-N 3.1Å; K140-N142 PolarHBondContact O-N 3.08Å; K140-N142 VanDerWaalsContact O-N 3.13Å |
| 141 | V | 93.6 | Very high | 92.3 | Very high | 55 Ų | 55 | 37 Ų | 37 | 33% | 0.333 | 21% | 0.212 | S | C | . | . | trans | -57.4 | 119.2 | 177.7 | -178 | 0 | 0 | 0 | 0 | 110 | L22 V26 T135 L143 | L22-V141 HydrophobicContact CD1-CG1 4.17Å; V26-V141 HydrophobicContact CG2-CG1 4.26Å; T135-V141 HydrophobicContact CG2-CG2 4.38Å; V141-L143 HydrophobicContact CG1-CB 4.01Å | ||
| 142 | N | 95.3 | Very high | 91.8 | Very high | 37 Ų | 37 | 41 Ų | 41 | 20% | 0.198 | 25% | 0.252 | C | S | . | . | trans | -98.4 | 101.7 | 176 | -163.4 | -34.6 | 0 | 0 | 0 | 108.3 | C105 D131 R134 T135 K140 | C105-N142 PolarHBondContact SG-O 2.88Å; C105-N142 PolarHBondContact SG-OD1 3.38Å; D131-N142 HydrophobicContact CB-CB 4.17Å; D131-N142 PolarHBondContact N-O 2.89Å; R134-N142 HydrophobicContact CB-CB 4.18Å; T135-N142 PolarHBondContact OG1-N 2.75Å; K140-N142 PolarHBondContact O-N 3.08Å; K140-N142 VanDerWaalsContact O-N 3.13Å | ||
| 143 | L | 97 | Very high | 91.4 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 133 | -173.9 | -176.8 | 158.9 | 0 | 0 | 0 | 109.2 | I17 L22 M25 V128 V129 I130 V141 V186 | I17-L143 HydrophobicContact CD1-CD1 4.08Å; I17-L143 HydrophobicContact CD1-CD2 3.63Å; L22-L143 HydrophobicContact CD1-CD1 3.58Å; M25-L143 HydrophobicContact CE-CD1 4.49Å; V128-L143 HydrophobicContact CG1-CD1 4.01Å; V128-L143 HydrophobicContact CG1-CD2 3.89Å; V128-L143 HydrophobicContact CG1-CG 3.84Å; V129-L143 VanDerWaalsContact O-CA 3.29Å; V129-L143 WeakPolarHBondContact O-CA 3.5Å; I130-L143 HydrophobicContact CD1-CD1 4.08Å; I130-L143 HydrophobicContact CG1-CB 4.48Å; I130-L143 HydrophobicContact CG1-CD1 3.86Å; I130-L143 HydrophobicContact CG1-CG 3.99Å; V141-L143 HydrophobicContact CG1-CB 4.01Å; L143-V186 HydrophobicContact CD2-CG1 4.1Å; L143-V186 HydrophobicContact CD2-CG2 4.15Å |
| 144 | G | 97.2 | Very high | 91 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 146.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V128 V129 F146 | V128-G144 CarbonylContact C-O 3.51Å; V128-G144 WeakPolarHBondContact CA-O 3.41Å; V129-G144 PolarHBondContact N-O 2.83Å; V129-G144 PolarHBondContact O-N 2.64Å; G144-F146 VanDerWaalsContact C-CE2 3.46Å |
| 145 | A | 98.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | C15 V126 A127 V128 A183 L184 V186 | C15-A145 HydrophobicContact CB-CB 3.84Å; V126-A145 HydrophobicContact CG2-CB 4.21Å; A127-A145 CarbonylContact O-C 3.58Å; A127-A145 WeakPolarHBondContact O-CA 3.49Å; V128-A145 HydrophobicContact CG2-CB 4.02Å; A145-A183 CarbonylContact O-C 3.5Å; A145-A183 WeakPolarHBondContact O-CA 3.3Å; A145-L184 HydrophobicContact CB-CB 4.33Å; A145-L184 PolarHBondContact O-N 2.92Å; A145-V186 HydrophobicContact CB-CG2 3.67Å |
| 146 | F | 97.4 | Very high | 89.8 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 148.7 | -169.5 | -54.1 | -81.7 | 0 | 0 | 0 | 111.8 | C105 L107 V126 A127 V129 G144 Y181 Y182 A183 | C105-F146 HydrophobicContact CB-CE2 4.33Å; C105-F146 HydrophobicContact CB-CZ 4.34Å; C105-F146 VanDerWaalsContact O-CZ 3.31Å; C105-F146 WeakPolarHBondContact O-CZ 3.37Å; L107-F146 HydrophobicContact CD1-CB 3.69Å; L107-F146 HydrophobicContact CD1-CG 4.43Å; L107-F146 HydrophobicContact CD2-CB 4.27Å; L107-F146 HydrophobicContact CD2-CD2 4.07Å; L107-F146 HydrophobicContact CD2-CG 4.4Å; L107-F146 HydrophobicContact CG-CB 3.93Å; L107-F146 HydrophobicContact CG-CD2 4.25Å; L107-F146 HydrophobicContact CG-CG 4.13Å; V126-F146 WeakPolarHBondContact CG2-O 3.16Å; A127-F146 PolarHBondContact N-O 3.23Å; A127-F146 PolarHBondContact O-N 3.28Å; V129-F146 HydrophobicContact CB-CE2 4.07Å; V129-F146 HydrophobicContact CG2-CD2 3.85Å; V129-F146 HydrophobicContact CG2-CE2 3.78Å; G144-F146 VanDerWaalsContact C-CE2 3.46Å; F146-Y181 HydrophobicContact CB-CD2 4.36Å; F146-Y181 AromaticContact CD1-CD2 3.7Å; F146-Y181 HydrophobicContact CD1-CD2 3.7Å; F146-Y181 AromaticContact CD1-CE2 3.88Å; F146-Y181 HydrophobicContact CD1-CE2 3.88Å; F146-Y181 HydrophobicContact CE1-CD2 4.4Å; F146-Y181 HydrophobicContact CE1-CE2 4.14Å; F146-Y181 HydrophobicContact CG-CD2 4.3Å; F146-Y182 WeakPolarHBondContact CA-O 3.37Å; F146-A183 HydrophobicContact CD1-CB 4.04Å; F146-A183 HydrophobicContact CE1-CB 3.93Å |
| 147 | R | 96.9 | Very high | 88.6 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 3% | 0.03 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 142.5 | 168.9 | -77.9 | -179.7 | 54.5 | 88 | -3.2 | 110.4 | E123 F125 V126 Y181 Y182 L184 | E123-R147 IonicContact OE1-CZ 3.97Å; E123-R147 IonicContact OE1-NH1 3.2Å; E123-R147 PolarHBondContact OE1-NH1 3Å; E123-R147 IonicContact OE1-NH2 3.65Å; E123-R147 PolarHBondContact OE1-NH2 3.14Å; E123-R147 IonicContact OE2-NH1 3.38Å; E123-R147 PolarHBondContact OE2-NH1 3.48Å; E123-R147 IonicContact OE2-NH2 2.6Å; F125-R147 PolarHBondContact O-NH1 3.34Å; V126-R147 HydrophobicContact CB-CG 4.48Å; V126-R147 HydrophobicContact CG2-CG 4.25Å; R147-Y181 CarbonylContact O-C 3.52Å; R147-Y181 WeakPolarHBondContact O-CA 3.4Å; R147-Y181 WeakPolarHBondContact O-CB 3.47Å; R147-Y182 HydrophobicContact CB-CD1 4.47Å; R147-Y182 HydrophobicContact CB-CE1 3.82Å; R147-Y182 HydrophobicContact CB-CE2 4.18Å; R147-Y182 PolarHBondContact N-O 3.07Å; R147-Y182 VanDerWaalsContact N-O 3.1Å; R147-Y182 PolarHBondContact NE-OH 3.22Å; R147-Y182 WeakPolarHBondContact O-CD1 3.23Å; R147-Y182 PolarHBondContact O-N 3.43Å; R147-L184 HydrophobicContact CB-CD1 4.05Å; R147-L184 HydrophobicContact CG-CD1 3.85Å |
| 148 | T | 95.8 | Very high | 87.6 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.012 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 146.7 | 179.9 | 57.7 | 0 | 0 | 0 | 0 | 111.2 | L107 V112 Q115 M116 Q119 Q180 | L107-T148 HydrophobicContact CD1-CG2 4.15Å; V112-T148 HydrophobicContact CB-CG2 4.26Å; V112-T148 HydrophobicContact CG1-CG2 3.88Å; V112-T148 HydrophobicContact CG2-CG2 4.28Å; Q115-T148 HydrophobicContact CB-CG2 3.81Å; Q115-T148 HydrophobicContact CG-CG2 3.61Å; M116-T148 HydrophobicContact CG-CG2 4.29Å; M116-T148 WeakPolarHBondContact CG-OG1 3.33Å; Q119-T148 PolarHBondContact NE2-O 3.38Å; Q119-T148 PolarHBondContact OE1-O 2.97Å; Q119-T148 PolarHBondContact OE1-OG1 2.87Å; T148-Q180 WeakPolarHBondContact CA-O 3.21Å |
| 149 | Y | 94.2 | Very high | 86.2 | Confident | 15 Ų | 15 | 68.9 Ų | 68.9 | 6% | 0.059 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 142.2 | 169.3 | -69.1 | -63.5 | 0 | 0 | 0 | 110.4 | H10 Y153 P155 Q180 Y182 | H10-Y149 PolarHBondContact ND1-OH 3.33Å; Y149-Y153 AromaticContact CD1-CD1 3.3Å; Y149-Y153 HydrophobicContact CD1-CD1 3.3Å; Y149-Y153 AromaticContact CD1-CE1 3.33Å; Y149-Y153 HydrophobicContact CD1-CE1 3.33Å; Y149-Y153 HydrophobicContact CD1-CG 4.4Å; Y149-Y153 AromaticContact CE1-CD1 3.94Å; Y149-Y153 HydrophobicContact CE1-CD1 3.94Å; Y149-Y153 AromaticContact CE1-CE1 3.45Å; Y149-Y153 HydrophobicContact CE1-CE1 3.45Å; Y149-Y153 VanDerWaalsContact CE1-CE1 3.45Å; Y149-Y153 AromaticContact CG-CD1 3.68Å; Y149-Y153 HydrophobicContact CG-CD1 3.68Å; Y149-Y153 HydrophobicContact CG-CE1 4.08Å; Y149-P155 HydrophobicContact CD2-CB 4.34Å; Y149-P155 HydrophobicContact CD2-CG 4.47Å; Y149-P155 HydrophobicContact CE2-CB 3.77Å; Y149-P155 HydrophobicContact CE2-CG 4.22Å; Y149-Q180 PolarHBondContact N-O 3.45Å; Y149-Y182 HydrophobicContact CD1-CD1 4.15Å; Y149-Y182 HydrophobicContact CD1-CE1 4.3Å; Y149-Y182 AromaticContact CE1-CD1 3.54Å; Y149-Y182 HydrophobicContact CE1-CD1 3.54Å; Y149-Y182 AromaticContact CE1-CE1 3.88Å; Y149-Y182 HydrophobicContact CE1-CE1 3.88Å; Y149-Y182 AromaticContact CE2-CD1 3.94Å; Y149-Y182 HydrophobicContact CE2-CD1 3.94Å; Y149-Y182 AromaticContact CZ-CD1 3.42Å; Y149-Y182 VanDerWaalsContact CZ-CD1 3.42Å |
| 150 | P | 91.3 | Very high | 84.5 | Confident | 50 Ų | 50 | 71.8 Ų | 71.8 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 153.8 | 174.2 | -26.2 | 37.7 | 0 | 0 | 0 | 112.7 | H9 G152 Y153 | H9-P150 HydrophobicContact CB-CG 4.49Å; P150-G152 PolarHBondContact O-N 3.13Å; P150-Y153 WeakPolarHBondContact O-CB 3.37Å; P150-Y153 PolarHBondContact O-N 3.31Å |
| 151 | K | 88.2 | Confident | 83.1 | Confident | 198 Ų | 198 | 67.6 Ų | 67.6 | 86% | 0.861 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 126.2 | 179 | -169.2 | 175.2 | -178.4 | 176.6 | 0 | 110.7 | M116 | M116-K151 HydrophobicContact CE-CB 4.02Š|
| 152 | G | 85.2 | Confident | 81.7 | Confident | 82 Ų | 82 | 72.6 Ų | 72.6 | 85% | 0.845 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | P150 | P150-G152 PolarHBondContact O-N 3.13Š|
| 153 | Y | 87.3 | Confident | 80.7 | Confident | 76 Ų | 76 | 75.5 Ų | 75.5 | 30% | 0.298 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 127.5 | 169.8 | -177.3 | -96.9 | 0 | 0 | 0 | 110.1 | H9 Y149 P150 P155 | H9-Y153 HydrophobicContact CB-CE2 4.49Å; H9-Y153 AromaticContact ND1-CD2 3.24Å; H9-Y153 WeakPolarHBondContact ND1-CD2 3.42Å; H9-Y153 AromaticContact ND1-CE2 3.73Å; H9-Y153 AromaticContact ND1-CG 3.64Å; Y149-Y153 AromaticContact CD1-CD1 3.3Å; Y149-Y153 HydrophobicContact CD1-CD1 3.3Å; Y149-Y153 AromaticContact CD1-CE1 3.33Å; Y149-Y153 HydrophobicContact CD1-CE1 3.33Å; Y149-Y153 HydrophobicContact CD1-CG 4.4Å; Y149-Y153 AromaticContact CE1-CD1 3.94Å; Y149-Y153 HydrophobicContact CE1-CD1 3.94Å; Y149-Y153 AromaticContact CE1-CE1 3.45Å; Y149-Y153 HydrophobicContact CE1-CE1 3.45Å; Y149-Y153 VanDerWaalsContact CE1-CE1 3.45Å; Y149-Y153 AromaticContact CG-CD1 3.68Å; Y149-Y153 HydrophobicContact CG-CD1 3.68Å; Y149-Y153 HydrophobicContact CG-CE1 4.08Å; P150-Y153 WeakPolarHBondContact O-CB 3.37Å; P150-Y153 PolarHBondContact O-N 3.31Å; Y153-P155 HydrophobicContact CE1-CB 4.35Å |
| 154 | K | 83.4 | Confident | 79.8 | Confident | 175 Ų | 175 | 76.4 Ų | 76.4 | 76% | 0.761 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -99.3 | 117.7 | 171.6 | -171.9 | 179.2 | 176.7 | -174.5 | 0 | 107.8 | ||
| 155 | P | 81.4 | Confident | 79.1 | Confident | 35 Ų | 35 | 76 Ų | 76 | 23% | 0.227 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 150 | 176.2 | 25.7 | -32.6 | 0 | 0 | 0 | 110.2 | Y149 Y153 | Y149-P155 HydrophobicContact CD2-CB 4.34Å; Y149-P155 HydrophobicContact CD2-CG 4.47Å; Y149-P155 HydrophobicContact CE2-CB 3.77Å; Y149-P155 HydrophobicContact CE2-CG 4.22Å; Y153-P155 HydrophobicContact CE1-CB 4.35Å |
| 156 | P | 78.5 | Confident | 78.7 | Confident | 79 Ų | 79 | 76.4 Ų | 76.4 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 146.1 | 161.8 | -15.2 | 27.8 | 0 | 0 | 0 | 108.2 | E158 | P156-E158 VanDerWaalsContact C-N 3.29Å; P156-E158 PolarHBondContact O-N 2.9Å |
| 157 | D | 62.6 | Low | 78.2 | Confident | 166 Ų | 166 | 76.5 Ų | 76.5 | 89% | 0.888 | 42% | 0.424 | S | S | * | . | trans | -56.8 | 94.8 | 176.5 | -96.9 | -33.7 | 0 | 0 | 0 | 109 | ||||
| 158 | E | 61.5 | Low | 77.6 | Confident | 130 Ų | 130 | 77.2 Ų | 77.2 | 61% | 0.607 | 43% | 0.428 | S | S | * | . | trans | -100.1 | 142.2 | 179.7 | -88.8 | -158.2 | 155.7 | 0 | 0 | 111.5 | P156 | P156-E158 VanDerWaalsContact C-N 3.29Å; P156-E158 PolarHBondContact O-N 2.9Å | ||
| 159 | G | 53.6 | Low | 77.2 | Confident | 62 Ų | 62 | 83.3 Ų | 83.3 | 64% | 0.639 | 46% | 0.461 | S | S | * | . | trans | -69 | -172.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S161 | G159-S161 PolarHBondContact O-N 3.16Å; G159-S161 VanDerWaalsContact O-N 3.17Å | ||
| 160 | P | 47.6 | Very low | 76.9 | Confident | 134 Ų | 134 | 84.2 Ų | 84.2 | 87% | 0.87 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 121.2 | -164.1 | 26.5 | -32.5 | 0 | 0 | 0 | 110.7 | ||
| 161 | S | 58.2 | Low | 76.6 | Confident | 69 Ų | 69 | 84.9 Ų | 84.9 | 48% | 0.483 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -49.3 | 142.5 | 157.9 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | G159 Y163 | G159-S161 PolarHBondContact O-N 3.16Å; G159-S161 VanDerWaalsContact O-N 3.17Å; S161-Y163 PolarHBondContact O-N 3.06Å; S161-Y163 VanDerWaalsContact O-N 3.1Å |
| 162 | E | 65.3 | Low | 76.4 | Confident | 161 Ų | 161 | 83.1 Ų | 83.1 | 75% | 0.752 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -50.2 | 120.7 | 178.9 | -170.7 | 177.1 | -175.1 | 0 | 0 | 109.4 | Q164 | E162-Q164 PolarHBondContact O-N 3.46Š|
| 163 | Y | 73.3 | Confident | 76.5 | Confident | 97 Ų | 97 | 81.8 Ų | 81.8 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 123.3 | -175.8 | 174.5 | -97.2 | 0 | 0 | 0 | 109.9 | S161 K262 R265 D266 | S161-Y163 PolarHBondContact O-N 3.06Å; S161-Y163 VanDerWaalsContact O-N 3.1Å; Y163-K262 PolarHBondContact OH-O 3.13Å; Y163-R265 HydrophobicContact CE1-CB 4Å; Y163-D266 PolarHBondContact OH-OD1 3.26Å |
| 164 | Q | 79.1 | Confident | 76.4 | Confident | 42 Ų | 42 | 80.4 Ų | 80.4 | 20% | 0.196 | 43% | 0.429 | C | S | . | . | trans | -124.2 | 140.3 | 172 | -65.5 | -177.4 | 57.3 | 0 | 0 | 109 | C105 E162 I166 | C105-Q164 PolarHBondContact O-NE2 2.69Å; E162-Q164 PolarHBondContact O-N 3.46Å; Q164-I166 HydrophobicContact CB-CD1 4.21Å; Q164-I166 PolarHBondContact O-N 2.97Å | ||
| 165 | T | 83 | Confident | 76.3 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.018 | 42% | 0.416 | C | S | . | . | trans | -61.1 | 118.7 | 168.1 | -58.4 | 0 | 0 | 0 | 0 | 108.2 | R134 D266 | R134-T165 PolarHBondContact NH1-O 3.45Å; R134-T165 PolarHBondContact NH2-O 3.36Å; T165-D266 VanDerWaalsContact CB-OD1 3.25Å; T165-D266 WeakPolarHBondContact CB-OD1 3.31Å; T165-D266 HydrophobicContact CG2-CB 4.24Å; T165-D266 VanDerWaalsContact CG2-CG 3.48Å; T165-D266 WeakPolarHBondContact CG2-OD1 3.42Å; T165-D266 PolarHBondContact OG1-OD1 2.73Å | ||
| 166 | I | 89.1 | Confident | 76.5 | Confident | 10 Ų | 10 | 77.2 Ų | 77.2 | 5% | 0.051 | 43% | 0.433 | C | S | . | . | trans | -113.1 | 129.7 | 174.5 | -54.1 | -57.9 | 0 | 0 | 0 | 107.2 | Y103 Q164 K170 I171 F174 K232 | Y103-I166 WeakPolarHBondContact O-CD1 3.48Å; Q164-I166 HydrophobicContact CB-CD1 4.21Å; Q164-I166 PolarHBondContact O-N 2.97Å; I166-K170 HydrophobicContact CG2-CB 3.72Å; I166-I171 HydrophobicContact CG2-CB 4.4Å; I166-F174 HydrophobicContact CG1-CD1 4.38Å; I166-F174 HydrophobicContact CG1-CG 4.32Å; I166-F174 HydrophobicContact CG2-CB 4.4Å; I166-K232 WeakPolarHBondContact O-CE 3.3Å; I166-K232 PolarHBondContact O-NZ 3.33Å | ||
| 167 | P | 86.7 | Confident | 77 | Confident | 12 Ų | 12 | 75.1 Ų | 75.1 | 8% | 0.078 | 42% | 0.416 | C | S | . | . | trans | -57.9 | 150.9 | 172.8 | -27.9 | 38.5 | 0 | 0 | 0 | 112.7 | N169 K170 I171 D228 | P167-N169 VanDerWaalsContact C-N 3.28Å; P167-N169 WeakPolarHBondContact CB-OD1 3.47Å; P167-N169 PolarHBondContact O-N 3Å; P167-K170 PolarHBondContact O-N 3.42Å; P167-I171 PolarHBondContact O-N 3.49Å; P167-I171 VanDerWaalsContact O-N 3.1Å; P167-D228 VanDerWaalsContact CA-OD1 3.3Å; P167-D228 WeakPolarHBondContact CA-OD1 3.22Å | ||
| 168 | L | 84.9 | Confident | 78.1 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 12% | 0.12 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.7 | -38.8 | -176.4 | -78 | 174.6 | 0 | 0 | 0 | 112.9 | K170 I171 D228 E231 K232 | L168-K170 PolarHBondContact O-N 3.01Å; L168-K170 VanDerWaalsContact O-N 3.08Å; L168-I171 WeakPolarHBondContact O-CG2 3.24Å; L168-I171 PolarHBondContact O-N 3.11Å; L168-D228 PolarHBondContact N-OD1 3.29Å; L168-E231 HydrophobicContact CD1-CB 3.4Å; L168-E231 VanDerWaalsContact CD1-CB 3.4Å; L168-K232 HydrophobicContact CD1-CG 3.71Å; L168-K232 HydrophobicContact CD2-CG 3.71Å; L168-K232 HydrophobicContact CG-CD 4.4Å; L168-K232 HydrophobicContact CG-CG 3.58Å |
| 169 | N | 86.9 | Confident | 79.4 | Confident | 131 Ų | 131 | 70.4 Ų | 70.4 | 70% | 0.701 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.7 | -8.2 | 177.8 | 68.9 | -38.2 | 0 | 0 | 0 | 114.1 | P167 | P167-N169 VanDerWaalsContact C-N 3.28Å; P167-N169 WeakPolarHBondContact CB-OD1 3.47Å; P167-N169 PolarHBondContact O-N 3Å |
| 170 | K | 87.1 | Confident | 81.2 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 14% | 0.143 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -118.6 | -12.8 | -179.7 | -65.4 | -63.9 | -178.2 | 174.3 | 0 | 114 | E64 Y103 W106 I166 P167 L168 E172 D173 F174 | E64-K170 IonicContact OE1-NZ 3.22Å; E64-K170 PolarHBondContact OE1-NZ 3.46Å; E64-K170 IonicContact OE2-NZ 2.56Å; E64-K170 PolarHBondContact OE2-NZ 3.09Å; Y103-K170 HydrophobicContact CD2-CG 4.43Å; W106-K170 HydrophobicContact CH2-CB 4.36Å; W106-K170 HydrophobicContact CH2-CD 4.45Å; W106-K170 HydrophobicContact CZ2-CB 3.9Å; W106-K170 HydrophobicContact CZ2-CD 4.24Å; W106-K170 HydrophobicContact CZ2-CG 4.34Å; I166-K170 HydrophobicContact CG2-CB 3.72Å; P167-K170 PolarHBondContact O-N 3.42Å; L168-K170 PolarHBondContact O-N 3.01Å; L168-K170 VanDerWaalsContact O-N 3.08Å; K170-E172 VanDerWaalsContact C-N 3.31Å; K170-E172 PolarHBondContact O-N 3Å; K170-D173 PolarHBondContact O-N 3.09Å; K170-F174 PolarHBondContact O-N 3.36Å; K170-F174 VanDerWaalsContact O-N 3.08Å |
| 171 | I | 85.5 | Confident | 83.4 | Confident | 64 Ų | 64 | 65.1 Ų | 65.1 | 33% | 0.328 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.9 | -31.6 | -170.2 | -157.4 | 170 | 0 | 0 | 0 | 113.1 | I166 P167 L168 G175 | I166-I171 HydrophobicContact CG2-CB 4.4Å; P167-I171 PolarHBondContact O-N 3.49Å; P167-I171 VanDerWaalsContact O-N 3.1Å; L168-I171 WeakPolarHBondContact O-CG2 3.24Å; L168-I171 PolarHBondContact O-N 3.11Å; I171-G175 PolarHBondContact O-N 3.16Å |
| 172 | E | 84.9 | Confident | 85.1 | Confident | 161 Ų | 161 | 62.3 Ų | 62.3 | 75% | 0.752 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -68.7 | -50.1 | 178.5 | -64.5 | -174 | 174.2 | 0 | 0 | 111.2 | K170 F174 G175 V176 | K170-E172 VanDerWaalsContact C-N 3.31Å; K170-E172 PolarHBondContact O-N 3Å; E172-F174 VanDerWaalsContact C-N 3.34Å; E172-F174 PolarHBondContact O-N 3.42Å; E172-G175 PolarHBondContact O-N 2.97Å; E172-G175 VanDerWaalsContact O-N 3.11Å; E172-V176 WeakPolarHBondContact O-CG2 3.41Å; E172-V176 PolarHBondContact O-N 2.9Å |
| 173 | D | 85.4 | Confident | 86.5 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 177.7 | -171.9 | 54.8 | 0 | 0 | 0 | 111.1 | W106 S108 G109 K170 G175 V176 H177 | W106-D173 HydrophobicContact CH2-CB 4.25Å; W106-D173 WeakPolarHBondContact CH2-OD2 3.41Å; W106-D173 HydrophobicContact CZ3-CB 4.41Å; W106-D173 WeakPolarHBondContact CZ3-OD2 3.24Å; S108-D173 VanDerWaalsContact CA-OD2 3.28Å; S108-D173 WeakPolarHBondContact CA-OD2 3.47Å; S108-D173 WeakPolarHBondContact CB-OD2 3.21Å; G109-D173 PolarHBondContact N-OD2 2.92Å; K170-D173 PolarHBondContact O-N 3.09Å; D173-G175 VanDerWaalsContact C-N 3.34Å; D173-G175 PolarHBondContact O-N 2.9Å; D173-V176 PolarHBondContact O-N 3.11Å; D173-H177 PolarHBondContact O-CD2 2.96Å; D173-H177 VanDerWaalsContact O-CD2 3.32Å; D173-H177 PolarHBondContact O-N 3.28Å; D173-H177 VanDerWaalsContact O-N 3.15Å; D173-H177 IonicContact OD1-CD2 2.83Å; D173-H177 PolarHBondContact OD1-CD2 3.33Å; D173-H177 IonicContact OD1-NE2 3.63Å |
| 174 | F | 85.5 | Confident | 87.6 | Confident | 48 Ų | 48 | 53.6 Ų | 53.6 | 21% | 0.211 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.4 | -48 | 172.6 | 173.9 | -100.1 | 0 | 0 | 0 | 112 | W106 I166 K170 E172 V176 H177 C178 | W106-F174 HydrophobicContact CB-CD2 3.88Å; W106-F174 HydrophobicContact CB-CE2 3.95Å; W106-F174 HydrophobicContact CD2-CB 4.31Å; W106-F174 AromaticContact CD2-CD2 3.76Å; W106-F174 HydrophobicContact CD2-CD2 3.76Å; W106-F174 HydrophobicContact CE3-CB 3.96Å; W106-F174 AromaticContact CE3-CD2 3.76Å; W106-F174 HydrophobicContact CE3-CD2 3.76Å; W106-F174 HydrophobicContact CE3-CG 4.37Å; W106-F174 AromaticContact CG-CD2 3.8Å; W106-F174 HydrophobicContact CG-CD2 3.8Å; W106-F174 HydrophobicContact CG-CE2 4.29Å; W106-F174 HydrophobicContact CH2-CB 4.28Å; W106-F174 HydrophobicContact CZ3-CB 3.91Å; I166-F174 HydrophobicContact CG1-CD1 4.38Å; I166-F174 HydrophobicContact CG1-CG 4.32Å; I166-F174 HydrophobicContact CG2-CB 4.4Å; K170-F174 PolarHBondContact O-N 3.36Å; K170-F174 VanDerWaalsContact O-N 3.08Å; E172-F174 VanDerWaalsContact C-N 3.34Å; E172-F174 PolarHBondContact O-N 3.42Å; F174-V176 VanDerWaalsContact C-N 3.29Å; F174-V176 PolarHBondContact O-N 2.88Å; F174-H177 PolarHBondContact O-N 2.98Å; F174-C178 HydrophobicContact CD2-CB 4.4Å; F174-C178 HydrophobicContact CE1-CB 4.34Å; F174-C178 HydrophobicContact CE2-CB 4.04Å; F174-C178 HydrophobicContact CZ-CB 4Å; F174-C178 WeakPolarHBondContact O-CB 3.45Å; F174-C178 PolarHBondContact O-N 2.72Å |
| 175 | G | 82.9 | Confident | 88.5 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 50% | 0.495 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.3 | -30.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I171 E172 D173 | I171-G175 PolarHBondContact O-N 3.16Å; E172-G175 PolarHBondContact O-N 2.97Å; E172-G175 VanDerWaalsContact O-N 3.11Å; D173-G175 VanDerWaalsContact C-N 3.34Å; D173-G175 PolarHBondContact O-N 2.9Å |
| 176 | V | 85.4 | Confident | 89.2 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 58% | 0.576 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -76.9 | -39.3 | 177.8 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | E172 D173 F174 | E172-V176 WeakPolarHBondContact O-CG2 3.41Å; E172-V176 PolarHBondContact O-N 2.9Å; D173-V176 PolarHBondContact O-N 3.11Å; F174-V176 VanDerWaalsContact C-N 3.29Å; F174-V176 PolarHBondContact O-N 2.88Å |
| 177 | H | 87.7 | Confident | 89.6 | Confident | 35 Ų | 35 | 60.7 Ų | 60.7 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -102.5 | -14 | -168.1 | -67.7 | -74.7 | 0 | 0 | 0 | 114.9 | G109 V112 D173 F174 K179 Q180 Y181 | G109-H177 WeakPolarHBondContact CA-NE2 3.4Å; V112-H177 HydrophobicContact CG2-CB 4.36Å; D173-H177 PolarHBondContact O-CD2 2.96Å; D173-H177 VanDerWaalsContact O-CD2 3.32Å; D173-H177 PolarHBondContact O-N 3.28Å; D173-H177 VanDerWaalsContact O-N 3.15Å; D173-H177 IonicContact OD1-CD2 2.83Å; D173-H177 PolarHBondContact OD1-CD2 3.33Å; D173-H177 IonicContact OD1-NE2 3.63Å; F174-H177 PolarHBondContact O-N 2.98Å; H177-K179 PolarHBondContact O-N 2.49Å; H177-Q180 VanDerWaalsContact ND1-CD 3.28Å; H177-Q180 PolarHBondContact ND1-NE2 3.5Å; H177-Q180 VanDerWaalsContact ND1-NE2 3.16Å; H177-Q180 PolarHBondContact ND1-OE1 2.87Å; H177-Q180 VanDerWaalsContact O-CB 3.32Å; H177-Q180 WeakPolarHBondContact O-CB 3.37Å; H177-Q180 PolarHBondContact O-N 3.31Å; H177-Y181 WeakPolarHBondContact O-CD1 3.38Å; H177-Y181 WeakPolarHBondContact O-CE1 3.43Å |
| 178 | C | 86.3 | Confident | 90.1 | Very high | 39 Ų | 39 | 65.6 Ų | 65.6 | 26% | 0.264 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.4 | -175.7 | 64.6 | 0 | 0 | 0 | 0 | 115.5 | F174 | F174-C178 HydrophobicContact CD2-CB 4.4Å; F174-C178 HydrophobicContact CE1-CB 4.34Å; F174-C178 HydrophobicContact CE2-CB 4.04Å; F174-C178 HydrophobicContact CZ-CB 4Å; F174-C178 WeakPolarHBondContact O-CB 3.45Å; F174-C178 PolarHBondContact O-N 2.72Å |
| 179 | K | 88.2 | Confident | 90.7 | Very high | 158 Ų | 158 | 67.7 Ų | 67.7 | 69% | 0.687 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -2.4 | 176.6 | -61.2 | -170.3 | 177.8 | -171 | 0 | 114.2 | H177 | H177-K179 PolarHBondContact O-N 2.49Š|
| 180 | Q | 91.6 | Very high | 91.1 | Very high | 70 Ų | 70 | 66.7 Ų | 66.7 | 33% | 0.327 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -91.8 | -4.6 | -176.1 | -58.5 | 179.5 | 12.1 | 0 | 0 | 112.4 | V112 T148 Y149 H177 | V112-Q180 HydrophobicContact CG1-CB 4.06Å; V112-Q180 HydrophobicContact CG2-CB 4.38Å; T148-Q180 WeakPolarHBondContact CA-O 3.21Å; Y149-Q180 PolarHBondContact N-O 3.45Å; H177-Q180 VanDerWaalsContact ND1-CD 3.28Å; H177-Q180 PolarHBondContact ND1-NE2 3.5Å; H177-Q180 VanDerWaalsContact ND1-NE2 3.16Å; H177-Q180 PolarHBondContact ND1-OE1 2.87Å; H177-Q180 VanDerWaalsContact O-CB 3.32Å; H177-Q180 WeakPolarHBondContact O-CB 3.37Å; H177-Q180 PolarHBondContact O-N 3.31Å |
| 181 | Y | 93.6 | Very high | 91.5 | Very high | 15 Ų | 15 | 67.6 Ų | 67.6 | 6% | 0.059 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 167.2 | 178.5 | 57 | -93.2 | 0 | 0 | 0 | 111.1 | W106 L107 V112 F146 R147 H177 | W106-Y181 WeakPolarHBondContact CB-OH 3.5Å; L107-Y181 HydrophobicContact CB-CD1 3.81Å; L107-Y181 HydrophobicContact CB-CE1 3.68Å; L107-Y181 HydrophobicContact CB-CG 4.35Å; L107-Y181 HydrophobicContact CD1-CD1 4.09Å; L107-Y181 HydrophobicContact CD1-CD2 4.48Å; L107-Y181 HydrophobicContact CD1-CG 3.95Å; L107-Y181 HydrophobicContact CG-CD1 4.23Å; L107-Y181 HydrophobicContact CG-CD2 4.48Å; L107-Y181 HydrophobicContact CG-CE1 4.39Å; L107-Y181 HydrophobicContact CG-CG 4.28Å; L107-Y181 PolarHBondContact N-OH 3.46Å; L107-Y181 WeakPolarHBondContact O-CE1 3.32Å; V112-Y181 HydrophobicContact CG2-CD1 3.81Å; V112-Y181 HydrophobicContact CG2-CE1 4.27Å; F146-Y181 HydrophobicContact CB-CD2 4.36Å; F146-Y181 AromaticContact CD1-CD2 3.7Å; F146-Y181 HydrophobicContact CD1-CD2 3.7Å; F146-Y181 AromaticContact CD1-CE2 3.88Å; F146-Y181 HydrophobicContact CD1-CE2 3.88Å; F146-Y181 HydrophobicContact CE1-CD2 4.4Å; F146-Y181 HydrophobicContact CE1-CE2 4.14Å; F146-Y181 HydrophobicContact CG-CD2 4.3Å; R147-Y181 CarbonylContact O-C 3.52Å; R147-Y181 WeakPolarHBondContact O-CA 3.4Å; R147-Y181 WeakPolarHBondContact O-CB 3.47Å; H177-Y181 WeakPolarHBondContact O-CD1 3.38Å; H177-Y181 WeakPolarHBondContact O-CE1 3.43Å |
| 182 | Y | 93.8 | Very high | 91.8 | Very high | 9 Ų | 9 | 69.1 Ų | 69.1 | 4% | 0.035 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 152.4 | 170.7 | 61.6 | -85.4 | 0 | 0 | 0 | 110.1 | H9 H10 F12 F146 R147 Y149 L184 | H9-Y182 PolarHBondContact O-OH 3.37Å; H10-Y182 AromaticContact CE1-CD2 3.56Å; H10-Y182 AromaticContact CE1-CG 3.63Å; H10-Y182 AromaticContact ND1-CD1 3.89Å; H10-Y182 AromaticContact ND1-CD2 3.94Å; H10-Y182 AromaticContact ND1-CG 3.82Å; F12-Y182 VanDerWaalsContact O-CE2 3.29Å; F12-Y182 WeakPolarHBondContact O-CE2 3.38Å; F146-Y182 WeakPolarHBondContact CA-O 3.37Å; R147-Y182 HydrophobicContact CB-CD1 4.47Å; R147-Y182 HydrophobicContact CB-CE1 3.82Å; R147-Y182 HydrophobicContact CB-CE2 4.18Å; R147-Y182 PolarHBondContact N-O 3.07Å; R147-Y182 VanDerWaalsContact N-O 3.1Å; R147-Y182 PolarHBondContact NE-OH 3.22Å; R147-Y182 WeakPolarHBondContact O-CD1 3.23Å; R147-Y182 PolarHBondContact O-N 3.43Å; Y149-Y182 HydrophobicContact CD1-CD1 4.15Å; Y149-Y182 HydrophobicContact CD1-CE1 4.3Å; Y149-Y182 AromaticContact CE1-CD1 3.54Å; Y149-Y182 HydrophobicContact CE1-CD1 3.54Å; Y149-Y182 AromaticContact CE1-CE1 3.88Å; Y149-Y182 HydrophobicContact CE1-CE1 3.88Å; Y149-Y182 AromaticContact CE2-CD1 3.94Å; Y149-Y182 HydrophobicContact CE2-CD1 3.94Å; Y149-Y182 AromaticContact CZ-CD1 3.42Å; Y149-Y182 VanDerWaalsContact CZ-CD1 3.42Å; Y182-L184 HydrophobicContact CD2-CD1 4.08Å; Y182-L184 HydrophobicContact CE2-CD1 3.75Å; Y182-L184 HydrophobicContact CE2-CG 4.12Å |
| 183 | A | 95.1 | Very high | 92.2 | Very high | 66 Ų | 66 | 66.3 Ų | 66.3 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 138 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A145 F146 | A145-A183 CarbonylContact O-C 3.5Å; A145-A183 WeakPolarHBondContact O-CA 3.3Å; F146-A183 HydrophobicContact CD1-CB 4.04Å; F146-A183 HydrophobicContact CE1-CB 3.93Å |
| 184 | L | 96.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 66.5 Ų | 66.5 | 5% | 0.052 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 148.5 | 170.9 | -72 | 78.1 | 0 | 0 | 0 | 109.2 | F12 C15 M50 A145 R147 Y182 V186 | F12-L184 HydrophobicContact CB-CD2 4.08Å; C15-L184 HydrophobicContact CB-CB 4.07Å; C15-L184 HydrophobicContact CB-CD2 4.23Å; M50-L184 HydrophobicContact SD-CD2 4.5Å; A145-L184 HydrophobicContact CB-CB 4.33Å; A145-L184 PolarHBondContact O-N 2.92Å; R147-L184 HydrophobicContact CB-CD1 4.05Å; R147-L184 HydrophobicContact CG-CD1 3.85Å; Y182-L184 HydrophobicContact CD2-CD1 4.08Å; Y182-L184 HydrophobicContact CE2-CD1 3.75Å; Y182-L184 HydrophobicContact CE2-CG 4.12Å; L184-V186 PolarHBondContact O-N 2.65Å; L184-V186 VanDerWaalsContact O-N 3.15Å |
| 185 | E | 97.4 | Very high | 92.7 | Very high | 127 Ų | 127 | 70.1 Ų | 70.1 | 59% | 0.593 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 112.6 | 172.2 | -174.3 | -174.1 | 145.3 | 0 | 0 | 109.6 | K13 Y14 C15 | K13-E185 PolarHBondContact O-N 2.99Å; Y14-E185 WeakPolarHBondContact CA-O 3.47Å; Y14-E185 HydrophobicContact CD1-CB 3.96Å; Y14-E185 HydrophobicContact CD1-CG 4.48Å; Y14-E185 HydrophobicContact CE1-CB 4.39Å; Y14-E185 WeakPolarHBondContact CE1-OE2 3.13Å; C15-E185 PolarHBondContact N-O 3.16Å |
| 186 | V | 98 | Very high | 93 | Very high | 39 Ų | 39 | 73.5 Ų | 73.5 | 24% | 0.236 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 129.8 | -179.1 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | C15 I17 L143 A145 L184 Y188 | C15-V186 HydrophobicContact CB-CG2 4.45Å; C15-V186 CarbonylContact O-C 3.58Å; C15-V186 WeakPolarHBondContact O-CA 3.47Å; I17-V186 HydrophobicContact CD1-CG1 3.83Å; I17-V186 HydrophobicContact CG1-CG1 4.23Å; L143-V186 HydrophobicContact CD2-CG1 4.1Å; L143-V186 HydrophobicContact CD2-CG2 4.15Å; A145-V186 HydrophobicContact CB-CG2 3.67Å; L184-V186 PolarHBondContact O-N 2.65Å; L184-V186 VanDerWaalsContact O-N 3.15Å; V186-Y188 HydrophobicContact CG1-CE1 4.06Å |
| 187 | S | 98.3 | Very high | 93.2 | Very high | 38 Ų | 38 | 73.4 Ų | 73.4 | 27% | 0.266 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 158.5 | 170.6 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | C15 K16 I17 | C15-S187 PolarHBondContact O-N 3.16Å; K16-S187 CarbonylContact C-O 3.56Å; K16-S187 WeakPolarHBondContact CA-O 2.94Å; K16-S187 WeakPolarHBondContact CG-OG 3.34Å; I17-S187 PolarHBondContact N-O 3.45Å |
| 188 | Y | 97.6 | Very high | 93.3 | Very high | 115 Ų | 115 | 75.1 Ų | 75.1 | 45% | 0.451 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 146.7 | -176.9 | -55.4 | -71.7 | 0 | 0 | 0 | 111.2 | I17 L22 V186 | I17-Y188 HydrophobicContact CB-CD1 4.09Å; I17-Y188 HydrophobicContact CB-CE1 4.32Å; I17-Y188 WeakPolarHBondContact O-CA 3.38Å; L22-Y188 HydrophobicContact CD1-CE1 3.91Å; L22-Y188 HydrophobicContact CD2-CD1 3.83Å; L22-Y188 HydrophobicContact CD2-CE1 3.69Å; L22-Y188 HydrophobicContact CG-CE1 4.34Å; V186-Y188 HydrophobicContact CG1-CE1 4.06Å |
| 189 | F | 97.7 | Very high | 93.4 | Very high | 67 Ų | 67 | 78.7 Ų | 78.7 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 156.7 | 172.5 | 72.4 | -80.7 | 0 | 0 | 0 | 111.6 | K16 I17 S18 A19 I51 M53 | K16-F189 HydrophobicContact CB-CD1 3.94Å; K16-F189 HydrophobicContact CB-CE1 4.07Å; I17-F189 PolarHBondContact O-N 3.09Å; I17-F189 VanDerWaalsContact O-N 3.1Å; S18-F189 CarbonylContact C-O 3.59Å; S18-F189 WeakPolarHBondContact CA-O 3.37Å; S18-F189 VanDerWaalsContact N-CE1 3.28Å; A19-F189 PolarHBondContact N-O 2.79Å; I51-F189 HydrophobicContact CG2-CE1 3.77Å; I51-F189 HydrophobicContact CG2-CZ 3.75Å; M53-F189 HydrophobicContact SD-CE2 4.11Å; M53-F189 HydrophobicContact SD-CZ 3.68Å |
| 190 | K | 95.1 | Very high | 93.5 | Very high | 109 Ų | 109 | 76.4 Ų | 76.4 | 47% | 0.474 | 39% | 0.389 | S | S | . | . | trans | -147.1 | 154.7 | 177.5 | 64.9 | -177.2 | 173.8 | -173 | 0 | 109.7 | A19 D194 R195 L198 | A19-K190 HydrophobicContact CB-CB 3.96Å; K190-D194 HydrophobicContact CB-CB 3.99Å; K190-R195 HydrophobicContact CD-CB 4.41Å; K190-L198 HydrophobicContact CD-CD1 4.02Å | ||
| 191 | S | 94.1 | Very high | 93.3 | Very high | 53 Ų | 53 | 77.6 Ų | 77.6 | 37% | 0.371 | 40% | 0.397 | S | S | . | . | trans | -72.8 | 165.7 | 175.3 | 73.3 | 0 | 0 | 0 | 0 | 111.7 | L193 D194 R195 | S191-L193 PolarHBondContact O-N 2.7Å; S191-L193 PolarHBondContact OG-N 3.3Å; S191-D194 VanDerWaalsContact CB-OD2 3.31Å; S191-D194 WeakPolarHBondContact CB-OD2 3.2Å; S191-D194 PolarHBondContact N-OD2 3.18Å; S191-D194 PolarHBondContact O-N 2.79Å; S191-D194 PolarHBondContact OG-N 3.45Å; S191-D194 PolarHBondContact OG-OD1 3.22Å; S191-D194 PolarHBondContact OG-OD2 2.92Å; S191-R195 PolarHBondContact O-N 3.11Å; S191-R195 VanDerWaalsContact O-N 3.08Å | ||
| 192 | S | 93.7 | Very high | 93 | Very high | 95 Ų | 95 | 83.7 Ų | 83.7 | 66% | 0.664 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.1 | -31.5 | 172.8 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | K196 | S192-K196 PolarHBondContact O-N 3.17Å |
| 193 | L | 91.8 | Very high | 92.8 | Very high | 102 Ų | 102 | 88.1 Ų | 88.1 | 53% | 0.534 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -72.5 | -45.8 | 175.2 | -178.6 | 60.8 | 0 | 0 | 0 | 111.3 | S191 R195 K196 L197 | S191-L193 PolarHBondContact O-N 2.7Å; S191-L193 PolarHBondContact OG-N 3.3Å; L193-R195 PolarHBondContact O-N 3.33Å; L193-K196 WeakPolarHBondContact O-CB 3.44Å; L193-K196 PolarHBondContact O-N 3.46Å; L193-L197 HydrophobicContact CD1-CD1 4.33Å; L193-L197 HydrophobicContact CD1-CG 4.24Å; L193-L197 HydrophobicContact CD2-CD1 4.46Å; L193-L197 HydrophobicContact CG-CD1 3.9Å; L193-L197 HydrophobicContact CG-CG 4.27Å; L193-L197 WeakPolarHBondContact O-CG 2.91Å; L193-L197 PolarHBondContact O-N 3.19Å |
| 194 | D | 90.6 | Very high | 92.4 | Very high | 59 Ų | 59 | 93.5 Ų | 93.5 | 32% | 0.316 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -56.7 | -39.3 | 176.2 | -60.9 | -35.5 | 0 | 0 | 0 | 111.2 | K190 S191 K196 L197 L198 | K190-D194 HydrophobicContact CB-CB 3.99Å; S191-D194 VanDerWaalsContact CB-OD2 3.31Å; S191-D194 WeakPolarHBondContact CB-OD2 3.2Å; S191-D194 PolarHBondContact N-OD2 3.18Å; S191-D194 PolarHBondContact O-N 2.79Å; S191-D194 PolarHBondContact OG-N 3.45Å; S191-D194 PolarHBondContact OG-OD1 3.22Å; S191-D194 PolarHBondContact OG-OD2 2.92Å; D194-K196 VanDerWaalsContact C-N 3.34Å; D194-K196 PolarHBondContact O-N 3.27Å; D194-L197 PolarHBondContact O-N 3.19Å; D194-L198 WeakPolarHBondContact O-CB 3.28Å; D194-L198 WeakPolarHBondContact O-CG 2.81Å; D194-L198 PolarHBondContact O-N 3.25Å |
| 195 | R | 90.8 | Very high | 91.9 | Very high | 123 Ų | 123 | 99.4 Ų | 99.4 | 46% | 0.464 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.3 | -48.6 | 174.5 | -172.9 | -174.4 | 69.8 | 76.1 | -6.7 | 111.5 | K190 S191 L193 E199 | K190-R195 HydrophobicContact CD-CB 4.41Å; S191-R195 PolarHBondContact O-N 3.11Å; S191-R195 VanDerWaalsContact O-N 3.08Å; L193-R195 PolarHBondContact O-N 3.33Å; R195-E199 IonicContact NH1-OE2 3Å; R195-E199 PolarHBondContact NH1-OE2 3.37Å; R195-E199 WeakPolarHBondContact O-CB 3.4Å; R195-E199 PolarHBondContact O-N 3.26Å; R195-E199 VanDerWaalsContact O-N 3.16Å |
| 196 | K | 90.6 | Very high | 91.5 | Very high | 119 Ų | 119 | 99.2 Ų | 99.2 | 52% | 0.517 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 179.4 | -66.5 | 177.9 | -178.3 | -178.1 | 0 | 111.5 | S192 L193 D194 E199 L200 | S192-K196 PolarHBondContact O-N 3.17Å; L193-K196 WeakPolarHBondContact O-CB 3.44Å; L193-K196 PolarHBondContact O-N 3.46Å; D194-K196 VanDerWaalsContact C-N 3.34Å; D194-K196 PolarHBondContact O-N 3.27Å; K196-E199 WeakPolarHBondContact O-CB 3.3Å; K196-E199 PolarHBondContact O-N 2.85Å; K196-L200 WeakPolarHBondContact O-CG 3.16Å; K196-L200 PolarHBondContact O-N 3.21Å |
| 197 | L | 88.7 | Confident | 91.1 | Very high | 93 Ų | 93 | 100.7 Ų | 100.7 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 179.7 | -69.1 | 172.5 | 0 | 0 | 0 | 112 | L193 D194 E199 L200 L201 | L193-L197 HydrophobicContact CD1-CD1 4.33Å; L193-L197 HydrophobicContact CD1-CG 4.24Å; L193-L197 HydrophobicContact CD2-CD1 4.46Å; L193-L197 HydrophobicContact CG-CD1 3.9Å; L193-L197 HydrophobicContact CG-CG 4.27Å; L193-L197 WeakPolarHBondContact O-CG 2.91Å; L193-L197 PolarHBondContact O-N 3.19Å; D194-L197 PolarHBondContact O-N 3.19Å; L197-E199 VanDerWaalsContact C-N 3.31Å; L197-E199 PolarHBondContact O-N 2.92Å; L197-L200 PolarHBondContact O-N 3.09Å; L197-L201 WeakPolarHBondContact O-CB 3.22Å; L197-L201 PolarHBondContact O-N 2.94Å |
| 198 | L | 89.3 | Confident | 90.5 | Very high | 71 Ų | 71 | 102.3 Ų | 102.3 | 37% | 0.372 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -35.8 | 176.3 | -71.1 | 168.8 | 0 | 0 | 0 | 112.1 | K190 D194 L201 W202 | K190-L198 HydrophobicContact CD-CD1 4.02Å; D194-L198 WeakPolarHBondContact O-CB 3.28Å; D194-L198 WeakPolarHBondContact O-CG 2.81Å; D194-L198 PolarHBondContact O-N 3.25Å; L198-L201 PolarHBondContact O-N 3.01Å; L198-W202 PolarHBondContact O-N 3.33Å |
| 199 | E | 89.5 | Confident | 89.8 | Confident | 115 Ų | 115 | 100.6 Ų | 100.6 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 174 | -173.9 | 174.8 | -177.4 | 0 | 0 | 111.5 | R195 K196 L197 L201 W202 | R195-E199 IonicContact NH1-OE2 3Å; R195-E199 PolarHBondContact NH1-OE2 3.37Å; R195-E199 WeakPolarHBondContact O-CB 3.4Å; R195-E199 PolarHBondContact O-N 3.26Å; R195-E199 VanDerWaalsContact O-N 3.16Å; K196-E199 WeakPolarHBondContact O-CB 3.3Å; K196-E199 PolarHBondContact O-N 2.85Å; L197-E199 VanDerWaalsContact C-N 3.31Å; L197-E199 PolarHBondContact O-N 2.92Å; E199-L201 VanDerWaalsContact C-N 3.34Å; E199-L201 PolarHBondContact O-N 2.92Å; E199-W202 WeakPolarHBondContact O-CB 3.29Å; E199-W202 PolarHBondContact O-N 3.44Å |
| 200 | L | 90.8 | Very high | 89.2 | Confident | 109 Ų | 109 | 100.3 Ų | 100.3 | 57% | 0.571 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.4 | -35.7 | 174.3 | -67.5 | 174.9 | 0 | 0 | 0 | 112.7 | K196 L197 W202 N203 | K196-L200 WeakPolarHBondContact O-CG 3.16Å; K196-L200 PolarHBondContact O-N 3.21Å; L197-L200 PolarHBondContact O-N 3.09Å; L200-W202 VanDerWaalsContact C-N 3.32Å; L200-N203 WeakPolarHBondContact O-CB 3.39Å; L200-N203 PolarHBondContact O-N 3.32Å |
| 201 | L | 87.4 | Confident | 88.8 | Confident | 95 Ų | 95 | 98.6 Ų | 98.6 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 176.4 | -170.1 | 69.9 | 0 | 0 | 0 | 110.6 | L197 L198 E199 N203 K204 Y205 | L197-L201 WeakPolarHBondContact O-CB 3.22Å; L197-L201 PolarHBondContact O-N 2.94Å; L198-L201 PolarHBondContact O-N 3.01Å; E199-L201 VanDerWaalsContact C-N 3.34Å; E199-L201 PolarHBondContact O-N 2.92Å; L201-N203 PolarHBondContact O-N 3.15Å; L201-K204 PolarHBondContact O-N 3.22Å; L201-Y205 WeakPolarHBondContact O-CB 3.46Å; L201-Y205 PolarHBondContact O-N 3.32Å |
| 202 | W | 86.6 | Confident | 88.2 | Confident | 143 Ų | 143 | 99 Ų | 99 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.7 | -36.8 | 178.1 | -174 | -110.7 | 0 | 0 | 0 | 112.8 | L198 E199 L200 K204 Y205 W206 T209 | L198-W202 PolarHBondContact O-N 3.33Å; E199-W202 WeakPolarHBondContact O-CB 3.29Å; E199-W202 PolarHBondContact O-N 3.44Å; L200-W202 VanDerWaalsContact C-N 3.32Å; W202-K204 PolarHBondContact O-N 3.07Å; W202-Y205 PolarHBondContact O-N 3.08Å; W202-W206 HydrophobicContact CD2-CB 4.47Å; W202-W206 HydrophobicContact CH2-CB 4.5Å; W202-W206 HydrophobicContact CZ2-CB 4.12Å; W202-W206 PolarHBondContact O-N 3.38Å; W202-W206 VanDerWaalsContact O-N 3.12Å; W202-T209 HydrophobicContact CH2-CG2 4.5Å; W202-T209 WeakPolarHBondContact CH2-OG1 3Å |
| 203 | N | 88.8 | Confident | 87.9 | Confident | 102 Ų | 102 | 95.5 Ų | 95.5 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.5 | -22 | 176.6 | -64.2 | -20.4 | 0 | 0 | 0 | 113.6 | L200 L201 W206 | L200-N203 WeakPolarHBondContact O-CB 3.39Å; L200-N203 PolarHBondContact O-N 3.32Å; L201-N203 PolarHBondContact O-N 3.15Å; N203-W206 PolarHBondContact O-NE1 3.26Å |
| 204 | K | 86.6 | Confident | 87.6 | Confident | 179 Ų | 179 | 92.1 Ų | 92.1 | 78% | 0.778 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -106.8 | -29.7 | 174.7 | -65.4 | -170.5 | 175.3 | -173.5 | 0 | 113.3 | L201 W202 | L201-K204 PolarHBondContact O-N 3.22Å; W202-K204 PolarHBondContact O-N 3.07Å |
| 205 | Y | 86.8 | Confident | 87.4 | Confident | 134 Ų | 134 | 92 Ų | 92 | 53% | 0.525 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -92.3 | -11.3 | -169 | -136.6 | -101.2 | 0 | 0 | 0 | 114.5 | L201 W202 V207 N208 | L201-Y205 WeakPolarHBondContact O-CB 3.46Å; L201-Y205 PolarHBondContact O-N 3.32Å; W202-Y205 PolarHBondContact O-N 3.08Å; Y205-V207 PolarHBondContact O-N 2.56Å; Y205-V207 VanDerWaalsContact O-N 3.09Å; Y205-N208 HydrophobicContact CD1-CB 4.02Å; Y205-N208 WeakPolarHBondContact CD1-ND2 3.19Å; Y205-N208 HydrophobicContact CE1-CB 4.02Å; Y205-N208 WeakPolarHBondContact CE1-ND2 3.45Å; Y205-N208 VanDerWaalsContact CE2-ND2 3.28Å; Y205-N208 WeakPolarHBondContact CE2-ND2 3.3Å; Y205-N208 WeakPolarHBondContact O-CB 3.4Å; Y205-N208 PolarHBondContact O-N 2.89Å |
| 206 | W | 88 | Confident | 87.3 | Confident | 124 Ų | 124 | 92.9 Ų | 92.9 | 47% | 0.47 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -53.7 | -31.6 | 179.6 | 67.5 | -90.1 | 0 | 0 | 0 | 113.3 | W202 N203 N208 T209 L210 | W202-W206 HydrophobicContact CD2-CB 4.47Å; W202-W206 HydrophobicContact CH2-CB 4.5Å; W202-W206 HydrophobicContact CZ2-CB 4.12Å; W202-W206 PolarHBondContact O-N 3.38Å; W202-W206 VanDerWaalsContact O-N 3.12Å; N203-W206 PolarHBondContact O-NE1 3.26Å; W206-N208 PolarHBondContact O-N 3.45Å; W206-T209 WeakPolarHBondContact O-CB 3.44Å; W206-T209 PolarHBondContact O-N 3.33Å; W206-T209 VanDerWaalsContact O-N 3.13Å; W206-L210 HydrophobicContact CE3-CD1 3.65Å; W206-L210 HydrophobicContact CZ3-CD1 3.59Å; W206-L210 PolarHBondContact O-N 3.21Å |
| 207 | V | 89.7 | Confident | 87 | Confident | 69 Ų | 69 | 90.9 Ų | 90.9 | 42% | 0.418 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.6 | -38.4 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | Y205 T209 L210 S211 | Y205-V207 PolarHBondContact O-N 2.56Å; Y205-V207 VanDerWaalsContact O-N 3.09Å; V207-T209 VanDerWaalsContact C-N 3.27Å; V207-T209 PolarHBondContact O-N 2.9Å; V207-L210 CarbonylContact O-C 3.57Å; V207-L210 PolarHBondContact O-N 3.37Å; V207-L210 VanDerWaalsContact O-N 3.07Å; V207-S211 WeakPolarHBondContact O-CB 3.36Å; V207-S211 PolarHBondContact O-N 2.96Å; V207-S211 PolarHBondContact O-OG 2.95Å |
| 208 | N | 85.8 | Confident | 86.8 | Confident | 73 Ų | 73 | 87.1 Ų | 87.1 | 39% | 0.39 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.6 | -33 | 180 | -70.3 | -29.4 | 0 | 0 | 0 | 112.3 | Y205 W206 L210 S211 S212 | Y205-N208 HydrophobicContact CD1-CB 4.02Å; Y205-N208 WeakPolarHBondContact CD1-ND2 3.19Å; Y205-N208 HydrophobicContact CE1-CB 4.02Å; Y205-N208 WeakPolarHBondContact CE1-ND2 3.45Å; Y205-N208 VanDerWaalsContact CE2-ND2 3.28Å; Y205-N208 WeakPolarHBondContact CE2-ND2 3.3Å; Y205-N208 WeakPolarHBondContact O-CB 3.4Å; Y205-N208 PolarHBondContact O-N 2.89Å; W206-N208 PolarHBondContact O-N 3.45Å; N208-L210 VanDerWaalsContact C-N 3.3Å; N208-L210 PolarHBondContact O-N 2.96Å; N208-S211 WeakPolarHBondContact CA-OG 3.46Å; N208-S211 PolarHBondContact O-N 3.19Å; N208-S211 PolarHBondContact O-OG 3.39Å; N208-S212 WeakPolarHBondContact O-CB 3.37Å; N208-S212 PolarHBondContact O-N 3.29Å |
| 209 | T | 83.3 | Confident | 86.8 | Confident | 78 Ų | 78 | 85.5 Ų | 85.5 | 48% | 0.479 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 174 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | W202 W206 V207 S212 | W202-T209 HydrophobicContact CH2-CG2 4.5Å; W202-T209 WeakPolarHBondContact CH2-OG1 3Å; W206-T209 WeakPolarHBondContact O-CB 3.44Å; W206-T209 PolarHBondContact O-N 3.33Å; W206-T209 VanDerWaalsContact O-N 3.13Å; V207-T209 VanDerWaalsContact C-N 3.27Å; V207-T209 PolarHBondContact O-N 2.9Å; T209-S212 PolarHBondContact O-OG 3.19Å; T209-S212 VanDerWaalsContact O-OG 3.09Å |
| 210 | L | 86.1 | Confident | 86.9 | Confident | 61 Ų | 61 | 86.4 Ų | 86.4 | 32% | 0.319 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -87 | -8.5 | -178.9 | -64 | 176.9 | 0 | 0 | 0 | 114.5 | W206 V207 N208 K284 F288 | W206-L210 HydrophobicContact CE3-CD1 3.65Å; W206-L210 HydrophobicContact CZ3-CD1 3.59Å; W206-L210 PolarHBondContact O-N 3.21Å; V207-L210 CarbonylContact O-C 3.57Å; V207-L210 PolarHBondContact O-N 3.37Å; V207-L210 VanDerWaalsContact O-N 3.07Å; N208-L210 VanDerWaalsContact C-N 3.3Å; N208-L210 PolarHBondContact O-N 2.96Å; L210-K284 WeakPolarHBondContact O-CD 3.37Å; L210-K284 WeakPolarHBondContact O-CG 3.3Å; L210-F288 HydrophobicContact CB-CZ 4.48Å; L210-F288 HydrophobicContact CD1-CZ 4.21Å |
| 211 | S | 85.7 | Confident | 86.9 | Confident | 74 Ų | 74 | 82.4 Ų | 82.4 | 52% | 0.517 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -105.3 | -13.2 | 175.3 | 66.2 | 0 | 0 | 0 | 0 | 113.2 | V207 N208 | V207-S211 WeakPolarHBondContact O-CB 3.36Å; V207-S211 PolarHBondContact O-N 2.96Å; V207-S211 PolarHBondContact O-OG 2.95Å; N208-S211 WeakPolarHBondContact CA-OG 3.46Å; N208-S211 PolarHBondContact O-N 3.19Å; N208-S211 PolarHBondContact O-OG 3.39Å |
| 212 | S | 82.6 | Confident | 87.1 | Confident | 62 Ų | 62 | 79.2 Ų | 79.2 | 43% | 0.434 | 41% | 0.412 | S | S | . | . | trans | -62.3 | 150.4 | 178.9 | 69.5 | 0 | 0 | 0 | 0 | 113.3 | N208 T209 K284 | N208-S212 WeakPolarHBondContact O-CB 3.37Å; N208-S212 PolarHBondContact O-N 3.29Å; T209-S212 PolarHBondContact O-OG 3.19Å; T209-S212 VanDerWaalsContact O-OG 3.09Å; S212-K284 PolarHBondContact O-NZ 3.28Å | ||
| 213 | S | 86.4 | Confident | 87.4 | Confident | 20 Ų | 20 | 75.9 Ų | 75.9 | 14% | 0.14 | 41% | 0.407 | C | S | . | . | trans | -139.1 | 96.9 | 172.1 | -170.2 | 0 | 0 | 0 | 0 | 109.4 | T217 Q281 | S213-T217 PolarHBondContact O-N 3.39Å; S213-T217 PolarHBondContact O-OG1 3.49Å; S213-Q281 PolarHBondContact OG-NE2 3.46Å | ||
| 214 | S | 84.9 | Confident | 87.6 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 22% | 0.217 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 179.9 | 53.9 | 0 | 0 | 0 | 0 | 110.7 | L216 T217 N218 G277 | S214-L216 PolarHBondContact O-N 2.62Å; S214-T217 PolarHBondContact O-N 3.24Å; S214-N218 VanDerWaalsContact C-OD1 3.32Å; S214-N218 PolarHBondContact O-N 2.96Å; S214-N218 PolarHBondContact O-OD1 3.17Å; S214-G277 VanDerWaalsContact OG-CA 3.26Å; S214-G277 WeakPolarHBondContact OG-CA 3.4Å |
| 215 | L | 86.8 | Confident | 87.9 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 30% | 0.304 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -45 | -39.9 | -179.7 | -76 | 176.3 | 0 | 0 | 0 | 115 | A274 L278 Q281 | L215-A274 WeakPolarHBondContact CD2-O 3.49Å; L215-L278 HydrophobicContact CD1-CB 4.27Å; L215-Q281 HydrophobicContact CD1-CG 4.23Å |
| 216 | L | 88.4 | Confident | 88.3 | Confident | 141 Ų | 141 | 62.3 Ų | 62.3 | 74% | 0.738 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -87.2 | -32.9 | -179.9 | -61.3 | 177.5 | 0 | 0 | 0 | 111.9 | S214 N218 | S214-L216 PolarHBondContact O-N 2.62Å; L216-N218 VanDerWaalsContact C-N 3.35Å |
| 217 | T | 85.9 | Confident | 88.7 | Confident | 77 Ų | 77 | 63.8 Ų | 63.8 | 47% | 0.472 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -72.9 | -28.2 | -175.2 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | I136 S213 S214 | I136-T217 HydrophobicContact CG2-CG2 4.22Å; S213-T217 PolarHBondContact O-N 3.39Å; S213-T217 PolarHBondContact O-OG1 3.49Å; S214-T217 PolarHBondContact O-N 3.24Å |
| 218 | N | 82.9 | Confident | 88.9 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 8% | 0.075 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 23.5 | -177.4 | 73.5 | -18.4 | 0 | 0 | 0 | 113.5 | I136 S137 S214 L216 D220 Y221 T222 | I136-N218 HydrophobicContact CG2-CB 4.39Å; S137-N218 VanDerWaalsContact CA-ND2 3.29Å; S137-N218 WeakPolarHBondContact CA-ND2 3.47Å; S137-N218 WeakPolarHBondContact CB-ND2 3.3Å; S214-N218 VanDerWaalsContact C-OD1 3.32Å; S214-N218 PolarHBondContact O-N 2.96Å; S214-N218 PolarHBondContact O-OD1 3.17Å; L216-N218 VanDerWaalsContact C-N 3.35Å; N218-D220 PolarHBondContact O-N 2.66Å; N218-Y221 WeakPolarHBondContact O-CB 3.26Å; N218-Y221 PolarHBondContact O-N 3.05Å; N218-Y221 VanDerWaalsContact O-N 3.13Å; N218-T222 PolarHBondContact O-N 3.37Å; N218-T222 VanDerWaalsContact O-N 3.09Å |
| 219 | A | 90.2 | Very high | 89.4 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -53.8 | -50.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y221 T222 T223 | A219-Y221 VanDerWaalsContact C-N 3.26Å; A219-Y221 PolarHBondContact O-N 2.73Å; A219-T222 PolarHBondContact O-N 3.09Å; A219-T222 VanDerWaalsContact O-N 3.08Å; A219-T222 PolarHBondContact O-OG1 3.24Å; A219-T223 PolarHBondContact O-N 2.9Å; A219-T223 PolarHBondContact O-OG1 3.1Å |
| 220 | D | 91.2 | Very high | 90 | Very high | 134 Ų | 134 | 58.8 Ų | 58.8 | 72% | 0.717 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.9 | -34.1 | -179.4 | -62.5 | -28.8 | 0 | 0 | 0 | 113 | N218 T223 G224 | N218-D220 PolarHBondContact O-N 2.66Å; D220-T223 WeakPolarHBondContact CA-OG1 3.4Å; D220-T223 PolarHBondContact O-OG1 2.85Å; D220-G224 PolarHBondContact O-N 3Å |
| 221 | Y | 90.8 | Very high | 90.4 | Very high | 25 Ų | 25 | 61 Ų | 61 | 10% | 0.098 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.4 | -47.1 | 174.4 | 163.2 | -101.6 | 0 | 0 | 0 | 111 | T133 R134 N218 A219 T223 G224 Q225 | T133-Y221 HydrophobicContact CG2-CD1 4.09Å; T133-Y221 HydrophobicContact CG2-CD2 3.41Å; T133-Y221 VanDerWaalsContact CG2-CD2 3.41Å; T133-Y221 HydrophobicContact CG2-CE2 4.13Å; T133-Y221 HydrophobicContact CG2-CG 3.37Å; R134-Y221 HydrophobicContact CG-CE2 4.4Å; N218-Y221 WeakPolarHBondContact O-CB 3.26Å; N218-Y221 PolarHBondContact O-N 3.05Å; N218-Y221 VanDerWaalsContact O-N 3.13Å; A219-Y221 VanDerWaalsContact C-N 3.26Å; A219-Y221 PolarHBondContact O-N 2.73Å; Y221-T223 VanDerWaalsContact C-N 3.34Å; Y221-T223 PolarHBondContact O-N 3.49Å; Y221-G224 PolarHBondContact O-N 2.82Å; Y221-Q225 HydrophobicContact CD2-CG 4.14Å; Y221-Q225 HydrophobicContact CE1-CG 4.1Å; Y221-Q225 HydrophobicContact CE2-CG 3.62Å; Y221-Q225 WeakPolarHBondContact O-CG 3.48Å; Y221-Q225 PolarHBondContact O-N 3.21Å |
| 222 | T | 91.1 | Very high | 90.7 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 17% | 0.172 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | -179.9 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | N218 A219 Q225 V226 | N218-T222 PolarHBondContact O-N 3.37Å; N218-T222 VanDerWaalsContact O-N 3.09Å; A219-T222 PolarHBondContact O-N 3.09Å; A219-T222 VanDerWaalsContact O-N 3.08Å; A219-T222 PolarHBondContact O-OG1 3.24Å; T222-Q225 PolarHBondContact O-N 3.08Å; T222-V226 WeakPolarHBondContact O-CG2 3.09Å; T222-V226 PolarHBondContact O-N 3.44Å |
| 223 | T | 93.9 | Very high | 91.2 | Very high | 73 Ų | 73 | 59 Ų | 59 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68 | -39.7 | 175.2 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | A219 D220 Y221 Q225 V226 F227 | A219-T223 PolarHBondContact O-N 2.9Å; A219-T223 PolarHBondContact O-OG1 3.1Å; D220-T223 WeakPolarHBondContact CA-OG1 3.4Å; D220-T223 PolarHBondContact O-OG1 2.85Å; Y221-T223 VanDerWaalsContact C-N 3.34Å; Y221-T223 PolarHBondContact O-N 3.49Å; T223-Q225 PolarHBondContact O-N 2.68Å; T223-V226 WeakPolarHBondContact O-CB 3.29Å; T223-V226 PolarHBondContact O-N 2.95Å; T223-V226 VanDerWaalsContact O-N 3.1Å; T223-F227 VanDerWaalsContact O-CD2 3.31Å; T223-F227 WeakPolarHBondContact O-CD2 3.25Å; T223-F227 PolarHBondContact O-N 3.13Å; T223-F227 VanDerWaalsContact O-N 3.1Å |
| 224 | G | 93.5 | Very high | 91.6 | Very high | 32 Ų | 32 | 64.6 Ų | 64.6 | 33% | 0.33 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | D220 Y221 V226 F227 D228 | D220-G224 PolarHBondContact O-N 3Å; Y221-G224 PolarHBondContact O-N 2.82Å; G224-V226 VanDerWaalsContact C-N 3.27Å; G224-V226 PolarHBondContact O-N 3Å; G224-F227 PolarHBondContact O-N 3.27Å; G224-D228 PolarHBondContact O-N 3.08Å; G224-D228 VanDerWaalsContact O-N 3.1Å |
| 225 | Q | 92.8 | Very high | 91.8 | Very high | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.075 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.6 | -31 | 174.3 | -69.3 | -61 | -82.1 | 0 | 0 | 112.6 | Y221 T222 T223 L229 T270 | Y221-Q225 HydrophobicContact CD2-CG 4.14Å; Y221-Q225 HydrophobicContact CE1-CG 4.1Å; Y221-Q225 HydrophobicContact CE2-CG 3.62Å; Y221-Q225 WeakPolarHBondContact O-CG 3.48Å; Y221-Q225 PolarHBondContact O-N 3.21Å; T222-Q225 PolarHBondContact O-N 3.08Å; T223-Q225 PolarHBondContact O-N 2.68Å; Q225-L229 VanDerWaalsContact O-CB 3.24Å; Q225-L229 WeakPolarHBondContact O-CB 3.14Å; Q225-L229 PolarHBondContact O-N 2.88Å; Q225-T270 HydrophobicContact CB-CG2 4.22Å |
| 226 | V | 95.2 | Very high | 92 | Very high | 83 Ų | 83 | 64.5 Ų | 64.5 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.9 | -40.2 | 175 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | T222 T223 G224 L229 S230 T270 | T222-V226 WeakPolarHBondContact O-CG2 3.09Å; T222-V226 PolarHBondContact O-N 3.44Å; T223-V226 WeakPolarHBondContact O-CB 3.29Å; T223-V226 PolarHBondContact O-N 2.95Å; T223-V226 VanDerWaalsContact O-N 3.1Å; G224-V226 VanDerWaalsContact C-N 3.27Å; G224-V226 PolarHBondContact O-N 3Å; V226-L229 PolarHBondContact O-N 2.98Å; V226-S230 PolarHBondContact O-N 3.1Å; V226-T270 HydrophobicContact CG2-CG2 4.28Å |
| 227 | F | 95.9 | Very high | 92.1 | Very high | 154 Ų | 154 | 64.6 Ų | 64.6 | 68% | 0.675 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.9 | -49.5 | 173 | -79.1 | -69.5 | 0 | 0 | 0 | 111.6 | T223 G224 L229 S230 E231 | T223-F227 VanDerWaalsContact O-CD2 3.31Å; T223-F227 WeakPolarHBondContact O-CD2 3.25Å; T223-F227 PolarHBondContact O-N 3.13Å; T223-F227 VanDerWaalsContact O-N 3.1Å; G224-F227 PolarHBondContact O-N 3.27Å; F227-L229 VanDerWaalsContact C-N 3.33Å; F227-L229 PolarHBondContact O-N 3.42Å; F227-S230 WeakPolarHBondContact O-CB 3.41Å; F227-S230 PolarHBondContact O-N 3.37Å; F227-S230 VanDerWaalsContact O-N 3.16Å; F227-E231 PolarHBondContact O-N 2.98Å |
| 228 | D | 94.4 | Very high | 92.3 | Very high | 17 Ų | 17 | 63.7 Ų | 63.7 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 177.2 | -178.5 | 75.5 | 0 | 0 | 0 | 112.3 | P167 L168 G224 S230 E231 K232 | P167-D228 VanDerWaalsContact CA-OD1 3.3Å; P167-D228 WeakPolarHBondContact CA-OD1 3.22Å; L168-D228 PolarHBondContact N-OD1 3.29Å; G224-D228 PolarHBondContact O-N 3.08Å; G224-D228 VanDerWaalsContact O-N 3.1Å; D228-S230 VanDerWaalsContact C-N 3.33Å; D228-S230 PolarHBondContact O-N 3.17Å; D228-E231 PolarHBondContact O-N 3.44Å; D228-K232 WeakPolarHBondContact O-CG 3.2Å; D228-K232 PolarHBondContact O-N 2.97Å; D228-K232 WeakPolarHBondContact OD2-CE 3.43Å; D228-K232 IonicContact OD2-NZ 2.73Å; D228-K232 PolarHBondContact OD2-NZ 3.11Å |
| 229 | L | 94.5 | Very high | 92.4 | Very high | 23 Ų | 23 | 65.8 Ų | 65.8 | 12% | 0.12 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | 176 | 179.2 | 64.9 | 0 | 0 | 0 | 112.3 | Q225 V226 F227 K232 L233 A263 D266 | Q225-L229 VanDerWaalsContact O-CB 3.24Å; Q225-L229 WeakPolarHBondContact O-CB 3.14Å; Q225-L229 PolarHBondContact O-N 2.88Å; V226-L229 PolarHBondContact O-N 2.98Å; F227-L229 VanDerWaalsContact C-N 3.33Å; F227-L229 PolarHBondContact O-N 3.42Å; L229-K232 PolarHBondContact O-N 3.33Å; L229-L233 HydrophobicContact CD1-CD1 4.47Å; L229-L233 HydrophobicContact CD1-CG 4.4Å; L229-L233 HydrophobicContact CG-CD1 4.16Å; L229-L233 WeakPolarHBondContact O-CG 3.45Å; L229-L233 PolarHBondContact O-N 3.32Å; L229-A263 HydrophobicContact CD1-CB 4.34Å; L229-A263 WeakPolarHBondContact CD1-O 3.48Å; L229-D266 HydrophobicContact CD1-CB 4.09Å |
| 230 | S | 96.1 | Very high | 92.1 | Very high | 76 Ų | 76 | 69.1 Ų | 69.1 | 53% | 0.531 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 176.5 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | V226 F227 D228 K232 L233 E234 | V226-S230 PolarHBondContact O-N 3.1Å; F227-S230 WeakPolarHBondContact O-CB 3.41Å; F227-S230 PolarHBondContact O-N 3.37Å; F227-S230 VanDerWaalsContact O-N 3.16Å; D228-S230 VanDerWaalsContact C-N 3.33Å; D228-S230 PolarHBondContact O-N 3.17Å; S230-K232 VanDerWaalsContact C-N 3.35Å; S230-K232 PolarHBondContact O-N 3.49Å; S230-L233 PolarHBondContact O-N 3.01Å; S230-E234 PolarHBondContact O-N 3.24Å; S230-E234 VanDerWaalsContact O-N 3.08Å |
| 231 | E | 94.3 | Very high | 91.4 | Very high | 107 Ų | 107 | 66 Ų | 66 | 50% | 0.5 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 177 | -68.6 | -179.3 | -167.2 | 0 | 0 | 111.9 | L168 F227 D228 L233 E234 Q235 | L168-E231 HydrophobicContact CD1-CB 3.4Å; L168-E231 VanDerWaalsContact CD1-CB 3.4Å; F227-E231 PolarHBondContact O-N 2.98Å; D228-E231 PolarHBondContact O-N 3.44Å; E231-L233 VanDerWaalsContact C-N 3.33Å; E231-L233 PolarHBondContact O-N 2.82Å; E231-E234 PolarHBondContact O-N 3Å; E231-Q235 WeakPolarHBondContact O-CG 3.41Å; E231-Q235 PolarHBondContact O-N 3.45Å |
| 232 | K | 92.9 | Very high | 90.3 | Very high | 18 Ų | 18 | 75.8 Ų | 75.8 | 8% | 0.078 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 175.7 | -76.2 | 173 | 175.2 | 167.4 | 0 | 112.4 | I166 L168 D228 L229 S230 Q235 S236 A263 D266 | I166-K232 WeakPolarHBondContact O-CE 3.3Å; I166-K232 PolarHBondContact O-NZ 3.33Å; L168-K232 HydrophobicContact CD1-CG 3.71Å; L168-K232 HydrophobicContact CD2-CG 3.71Å; L168-K232 HydrophobicContact CG-CD 4.4Å; L168-K232 HydrophobicContact CG-CG 3.58Å; D228-K232 WeakPolarHBondContact O-CG 3.2Å; D228-K232 PolarHBondContact O-N 2.97Å; D228-K232 WeakPolarHBondContact OD2-CE 3.43Å; D228-K232 IonicContact OD2-NZ 2.73Å; D228-K232 PolarHBondContact OD2-NZ 3.11Å; L229-K232 PolarHBondContact O-N 3.33Å; S230-K232 VanDerWaalsContact C-N 3.35Å; S230-K232 PolarHBondContact O-N 3.49Å; K232-Q235 PolarHBondContact O-N 3.37Å; K232-S236 PolarHBondContact O-N 2.81Å; K232-A263 HydrophobicContact CB-CB 4.43Å; K232-D266 WeakPolarHBondContact CD-OD2 3.15Å; K232-D266 IonicContact NZ-OD2 2.79Å; K232-D266 PolarHBondContact NZ-OD2 3.01Å |
| 233 | L | 94.1 | Very high | 88.8 | Confident | 77 Ų | 77 | 77.3 Ų | 77.3 | 40% | 0.403 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 177 | -74.4 | 168.7 | 0 | 0 | 0 | 111.2 | L229 S230 E231 Q235 S236 E237 L260 A263 | L229-L233 HydrophobicContact CD1-CD1 4.47Å; L229-L233 HydrophobicContact CD1-CG 4.4Å; L229-L233 HydrophobicContact CG-CD1 4.16Å; L229-L233 WeakPolarHBondContact O-CG 3.45Å; L229-L233 PolarHBondContact O-N 3.32Å; S230-L233 PolarHBondContact O-N 3.01Å; E231-L233 VanDerWaalsContact C-N 3.33Å; E231-L233 PolarHBondContact O-N 2.82Å; L233-Q235 VanDerWaalsContact C-N 3.32Å; L233-Q235 PolarHBondContact O-N 3.33Å; L233-S236 WeakPolarHBondContact CA-OG 3.4Å; L233-S236 WeakPolarHBondContact O-CB 3.28Å; L233-S236 PolarHBondContact O-N 3.49Å; L233-S236 PolarHBondContact O-OG 2.97Å; L233-E237 PolarHBondContact O-N 3.46Å; L233-L260 HydrophobicContact CD2-CD1 4.38Å; L233-A263 HydrophobicContact CD2-CB 3.91Å; L233-A263 HydrophobicContact CG-CB 4.39Å |
| 234 | E | 93.8 | Very high | 86.8 | Confident | 137 Ų | 137 | 78.2 Ų | 78.2 | 64% | 0.64 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -57.9 | -43.9 | 174 | -172.9 | -180 | 177.9 | 0 | 0 | 111.6 | S230 E231 S236 E237 A238 | S230-E234 PolarHBondContact O-N 3.24Å; S230-E234 VanDerWaalsContact O-N 3.08Å; E231-E234 PolarHBondContact O-N 3Å; E234-S236 VanDerWaalsContact C-N 3.3Å; E234-S236 PolarHBondContact O-N 2.92Å; E234-E237 PolarHBondContact O-N 3.31Å; E234-A238 PolarHBondContact O-N 3.03Å |
| 235 | Q | 90 | Very high | 84.6 | Confident | 80 Ų | 80 | 86 Ų | 86 | 37% | 0.374 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.5 | -32.9 | 174.7 | -70.1 | -172.2 | 25.1 | 0 | 0 | 113.6 | E231 K232 L233 Q239 K259 | E231-Q235 WeakPolarHBondContact O-CG 3.41Å; E231-Q235 PolarHBondContact O-N 3.45Å; K232-Q235 PolarHBondContact O-N 3.37Å; L233-Q235 VanDerWaalsContact C-N 3.32Å; L233-Q235 PolarHBondContact O-N 3.33Å; Q235-Q239 PolarHBondContact O-N 3.48Å; Q235-K259 HydrophobicContact CB-CD 4.4Å |
| 236 | S | 90.2 | Very high | 82.5 | Confident | 6 Ų | 6 | 94 Ų | 94 | 4% | 0.042 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -72.1 | -38.1 | 177 | 78.3 | 0 | 0 | 0 | 0 | 111.7 | K232 L233 E234 Q239 L240 | K232-S236 PolarHBondContact O-N 2.81Å; L233-S236 WeakPolarHBondContact CA-OG 3.4Å; L233-S236 WeakPolarHBondContact O-CB 3.28Å; L233-S236 PolarHBondContact O-N 3.49Å; L233-S236 PolarHBondContact O-OG 2.97Å; E234-S236 VanDerWaalsContact C-N 3.3Å; E234-S236 PolarHBondContact O-N 2.92Å; S236-Q239 WeakPolarHBondContact O-CB 3.5Å; S236-Q239 PolarHBondContact O-N 3.03Å; S236-L240 WeakPolarHBondContact O-CG 3.32Å; S236-L240 PolarHBondContact O-N 3.28Å; S236-L240 VanDerWaalsContact O-N 3.11Å |
| 237 | E | 91.1 | Very high | 80.1 | Confident | 144 Ų | 144 | 97.8 Ų | 97.8 | 67% | 0.673 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 174.4 | -175 | 179.7 | 176.1 | 0 | 0 | 110.7 | L233 E234 Q239 L240 G241 | L233-E237 PolarHBondContact O-N 3.46Å; E234-E237 PolarHBondContact O-N 3.31Å; E237-Q239 VanDerWaalsContact C-N 3.27Å; E237-Q239 PolarHBondContact O-N 3.07Å; E237-L240 PolarHBondContact O-N 3.25Å; E237-L240 VanDerWaalsContact O-N 3.12Å; E237-G241 PolarHBondContact O-N 3.35Å |
| 238 | A | 88.9 | Confident | 77.7 | Confident | 58 Ų | 58 | 94.4 Ų | 94.4 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60 | -35.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E234 R242 | E234-A238 PolarHBondContact O-N 3.03Å; A238-R242 PolarHBondContact O-N 3.16Å |
| 239 | Q | 86 | Confident | 75.2 | Confident | 58 Ų | 58 | 100.1 Ų | 100.1 | 27% | 0.271 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.6 | -42.2 | 174.8 | -179.6 | 178.2 | -5.4 | 0 | 0 | 111.6 | Q235 S236 E237 G243 K259 | Q235-Q239 PolarHBondContact O-N 3.48Å; S236-Q239 WeakPolarHBondContact O-CB 3.5Å; S236-Q239 PolarHBondContact O-N 3.03Å; E237-Q239 VanDerWaalsContact C-N 3.27Å; E237-Q239 PolarHBondContact O-N 3.07Å; Q239-G243 WeakPolarHBondContact O-CA 3.46Å; Q239-G243 PolarHBondContact O-N 2.97Å; Q239-K259 VanDerWaalsContact OE1-CB 3.23Å |
| 240 | L | 82.9 | Confident | 72.9 | Confident | 105 Ų | 105 | 108.6 Ų | 108.6 | 55% | 0.55 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.6 | -40.9 | 178.3 | -68.1 | 169.2 | 0 | 0 | 0 | 111.9 | S236 E237 R242 G243 L260 | S236-L240 WeakPolarHBondContact O-CG 3.32Å; S236-L240 PolarHBondContact O-N 3.28Å; S236-L240 VanDerWaalsContact O-N 3.11Å; E237-L240 PolarHBondContact O-N 3.25Å; E237-L240 VanDerWaalsContact O-N 3.12Å; L240-R242 VanDerWaalsContact C-N 3.29Å; L240-R242 PolarHBondContact O-N 2.92Å; L240-G243 PolarHBondContact O-N 3.34Å; L240-G243 VanDerWaalsContact O-N 3.14Å; L240-L260 HydrophobicContact CD1-CD2 4.24Å |
| 241 | G | 77 | Confident | 70.2 | Confident | 68 Ų | 68 | 109 Ų | 109 | 70% | 0.701 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.9 | -26.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E237 | E237-G241 PolarHBondContact O-N 3.35Å |
| 242 | R | 68.7 | Low | 67.7 | Low | 232 Ų | 232 | 113.3 Ų | 113.3 | 88% | 0.875 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -96.9 | -11.8 | 172.2 | -64.8 | -169.6 | -178.8 | -149.1 | 2.4 | 113.8 | A238 L240 | A238-R242 PolarHBondContact O-N 3.16Å; L240-R242 VanDerWaalsContact C-N 3.29Å; L240-R242 PolarHBondContact O-N 2.92Å |
| 243 | G | 58.5 | Low | 65.2 | Low | 60 Ų | 60 | 118.2 Ų | 118.2 | 62% | 0.619 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -96.5 | -3.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q239 L240 | Q239-G243 WeakPolarHBondContact O-CA 3.46Å; Q239-G243 PolarHBondContact O-N 2.97Å; L240-G243 PolarHBondContact O-N 3.34Å; L240-G243 VanDerWaalsContact O-N 3.14Å |
| 244 | S | 51.6 | Low | 62.7 | Low | 92 Ų | 92 | 123.2 Ų | 123.2 | 64% | 0.643 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -125.8 | 125.1 | 172.6 | -84.8 | 0 | 0 | 0 | 0 | 109.9 | ||
| 245 | F | 46.7 | Very low | 60.4 | Low | 195 Ų | 195 | 127 Ų | 127 | 86% | 0.855 | 67% | 0.674 | S | S | * | * | trans | 93.5 | 39.2 | 174 | -75.9 | -90.5 | 0 | 0 | 0 | 120.3 | ||||
| 246 | M | 50.1 | Low | 58.6 | Low | 184 Ų | 184 | 127.4 Ų | 127.4 | 91% | 0.906 | 69% | 0.686 | S | S | * | * | trans | -96.3 | 108.5 | 147.5 | -121.2 | -178.8 | 76.5 | 0 | 0 | 109.8 | G248 | M246-G248 PolarHBondContact O-N 3.36Š| ||
| 247 | L | 44.2 | Very low | 57.2 | Low | 163 Ų | 163 | 133.4 Ų | 133.4 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.6 | 126 | 178.1 | -93.1 | 89.1 | 0 | 0 | 0 | 112.1 | ||
| 248 | G | 46.7 | Very low | 56.9 | Low | 82 Ų | 82 | 130.6 Ų | 130.6 | 85% | 0.845 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.2 | 14.4 | 139.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | M246 | M246-G248 PolarHBondContact O-N 3.36Š|
| 249 | L | 40.7 | Very low | 56.8 | Low | 137 Ų | 137 | 131.8 Ų | 131.8 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | trans | -135 | 100.3 | 168.8 | -157.2 | 68.9 | 0 | 0 | 0 | 109.3 | T251 | L249-T251 HydrophobicContact CB-CG2 4.34Å; L249-T251 HydrophobicContact CD2-CG2 3.47Å; L249-T251 VanDerWaalsContact CD2-CG2 3.47Å; L249-T251 HydrophobicContact CG-CG2 3.69Å; L249-T251 PolarHBondContact O-N 3.44Å | ||
| 250 | E | 46.3 | Very low | 57 | Low | 201 Ų | 201 | 132.3 Ų | 132.3 | 94% | 0.939 | 70% | 0.702 | S | S | * | * | trans | -64.6 | 80.9 | 161.1 | -73.1 | -172.2 | 159.1 | 0 | 0 | 107.5 | H252 | E250-H252 PolarHBondContact O-N 3.43Š| ||
| 251 | T | 39.4 | Very low | 57.4 | Low | 84 Ų | 84 | 129 Ų | 129 | 52% | 0.515 | 69% | 0.689 | S | S | . | * | trans | -74.7 | 118 | 166.5 | 50.4 | 0 | 0 | 0 | 0 | 107.3 | L249 D253 | L249-T251 HydrophobicContact CB-CG2 4.34Å; L249-T251 HydrophobicContact CD2-CG2 3.47Å; L249-T251 VanDerWaalsContact CD2-CG2 3.47Å; L249-T251 HydrophobicContact CG-CG2 3.69Å; L249-T251 PolarHBondContact O-N 3.44Å; T251-D253 PolarHBondContact O-N 3.05Å | ||
| 252 | H | 41.8 | Very low | 57.9 | Low | 199 Ų | 199 | 128.3 Ų | 128.3 | 92% | 0.921 | 67% | 0.667 | S | S | * | * | trans | -65.3 | 41.9 | 170.6 | -133.7 | -75.2 | 0 | 0 | 0 | 111.4 | E250 K254 | E250-H252 PolarHBondContact O-N 3.43Å; H252-K254 PolarHBondContact O-N 3.15Å | ||
| 253 | D | 39.8 | Very low | 59.1 | Low | 120 Ų | 120 | 117.3 Ų | 117.3 | 64% | 0.642 | 63% | 0.625 | S | S | * | * | trans | -98.4 | 100.9 | -170.9 | -92 | -42.9 | 0 | 0 | 0 | 111.2 | T251 | T251-D253 PolarHBondContact O-N 3.05Š| ||
| 254 | K | 42 | Very low | 60.7 | Low | 182 Ų | 182 | 117.8 Ų | 117.8 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | trans | 46.8 | 113.3 | 153.9 | -69.4 | 176 | 179.4 | 171.5 | 0 | 116.5 | H252 S256 | H252-K254 PolarHBondContact O-N 3.15Å; K254-S256 PolarHBondContact O-N 3.49Å | ||
| 255 | K | 46.1 | Very low | 62.7 | Low | 216 Ų | 216 | 120.2 Ų | 120.2 | 94% | 0.939 | 61% | 0.611 | S | S | * | * | trans | -18.2 | 71.9 | 147.2 | -62 | 175.3 | 177.2 | 179.4 | 0 | 114.2 | E257 | K255-E257 VanDerWaalsContact C-N 3.3Å; K255-E257 PolarHBondContact O-N 3.12Å; K255-E257 VanDerWaalsContact O-N 3.08Å | ||
| 256 | S | 52.2 | Low | 64.8 | Low | 89 Ų | 89 | 111.3 Ų | 111.3 | 62% | 0.622 | 57% | 0.573 | S | S | * | * | trans | -78.1 | 97.9 | 164.3 | 57.1 | 0 | 0 | 0 | 0 | 103.6 | K254 D258 | K254-S256 PolarHBondContact O-N 3.49Å; S256-D258 PolarHBondContact O-N 2.99Å | ||
| 257 | E | 61.4 | Low | 66.9 | Low | 132 Ų | 132 | 104.3 Ų | 104.3 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | trans | -43.8 | 128.3 | 174.5 | -121.5 | 176.8 | 151.4 | 0 | 0 | 109.1 | K255 K259 K262 | K255-E257 VanDerWaalsContact C-N 3.3Å; K255-E257 PolarHBondContact O-N 3.12Å; K255-E257 VanDerWaalsContact O-N 3.08Å; E257-K259 PolarHBondContact O-N 3.47Å; E257-K262 VanDerWaalsContact CD-NZ 3.29Å; E257-K262 IonicContact OE1-NZ 3.9Å; E257-K262 WeakPolarHBondContact OE2-CE 3.46Å; E257-K262 IonicContact OE2-NZ 2.63Å; E257-K262 PolarHBondContact OE2-NZ 3.37Å | ||
| 258 | D | 83.4 | Confident | 69.3 | Low | 86 Ų | 86 | 99.6 Ų | 99.6 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | trans | -56.8 | 103.8 | -175.2 | 177.7 | 6.4 | 0 | 0 | 0 | 110.3 | S256 L260 A261 K262 | S256-D258 PolarHBondContact O-N 2.99Å; D258-L260 PolarHBondContact O-N 2.67Å; D258-L260 WeakPolarHBondContact OD1-CB 3.32Å; D258-L260 PolarHBondContact OD1-N 2.63Å; D258-A261 HydrophobicContact CB-CB 3.84Å; D258-A261 PolarHBondContact O-N 3.02Å; D258-A261 PolarHBondContact OD1-N 2.96Å; D258-A261 VanDerWaalsContact OD2-CB 3.25Å; D258-A261 WeakPolarHBondContact OD2-CB 3.48Å; D258-A261 PolarHBondContact OD2-N 2.7Å; D258-K262 PolarHBondContact O-N 3.23Å; D258-K262 VanDerWaalsContact O-N 3.08Å | ||
| 259 | K | 86.8 | Confident | 71.5 | Confident | 83 Ų | 83 | 98.7 Ų | 98.7 | 36% | 0.361 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -33.4 | -179 | -72.5 | -172.7 | -175.5 | -166.6 | 0 | 110.9 | Q235 Q239 E257 K262 A263 | Q235-K259 HydrophobicContact CB-CD 4.4Å; Q239-K259 VanDerWaalsContact OE1-CB 3.23Å; E257-K259 PolarHBondContact O-N 3.47Å; K259-K262 PolarHBondContact O-N 3.4Å; K259-A263 WeakPolarHBondContact O-CB 3.22Å; K259-A263 PolarHBondContact O-N 3.4Å |
| 260 | L | 90.6 | Very high | 73.9 | Confident | 69 Ų | 69 | 93 Ų | 93 | 36% | 0.361 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.9 | -42 | 178.1 | -176.3 | 63.8 | 0 | 0 | 0 | 110.7 | L233 L240 D258 K262 A263 T264 | L233-L260 HydrophobicContact CD2-CD1 4.38Å; L240-L260 HydrophobicContact CD1-CD2 4.24Å; D258-L260 PolarHBondContact O-N 2.67Å; D258-L260 WeakPolarHBondContact OD1-CB 3.32Å; D258-L260 PolarHBondContact OD1-N 2.63Å; L260-K262 VanDerWaalsContact C-N 3.3Å; L260-K262 PolarHBondContact O-N 3.29Å; L260-A263 PolarHBondContact O-N 3.1Å; L260-T264 WeakPolarHBondContact O-CB 3.32Å; L260-T264 PolarHBondContact O-N 2.94Å; L260-T264 PolarHBondContact O-OG1 3.1Å |
| 261 | A | 90.4 | Very high | 76.2 | Confident | 34 Ų | 34 | 87.2 Ų | 87.2 | 28% | 0.281 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61 | -38.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D258 T264 R265 | D258-A261 HydrophobicContact CB-CB 3.84Å; D258-A261 PolarHBondContact O-N 3.02Å; D258-A261 PolarHBondContact OD1-N 2.96Å; D258-A261 VanDerWaalsContact OD2-CB 3.25Å; D258-A261 WeakPolarHBondContact OD2-CB 3.48Å; D258-A261 PolarHBondContact OD2-N 2.7Å; A261-T264 PolarHBondContact O-N 3.45Å; A261-R265 WeakPolarHBondContact O-CG 3.47Å; A261-R265 PolarHBondContact O-N 3.1Å; A261-R265 VanDerWaalsContact O-N 3.17Å |
| 262 | K | 89.5 | Confident | 78.8 | Confident | 54 Ų | 54 | 87.3 Ų | 87.3 | 24% | 0.235 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65 | -49.2 | 173.8 | -70.8 | -179.5 | 176.6 | 178.5 | 0 | 112 | Y163 E257 D258 K259 L260 T264 R265 D266 | Y163-K262 PolarHBondContact OH-O 3.13Å; E257-K262 VanDerWaalsContact CD-NZ 3.29Å; E257-K262 IonicContact OE1-NZ 3.9Å; E257-K262 WeakPolarHBondContact OE2-CE 3.46Å; E257-K262 IonicContact OE2-NZ 2.63Å; E257-K262 PolarHBondContact OE2-NZ 3.37Å; D258-K262 PolarHBondContact O-N 3.23Å; D258-K262 VanDerWaalsContact O-N 3.08Å; K259-K262 PolarHBondContact O-N 3.4Å; L260-K262 VanDerWaalsContact C-N 3.3Å; L260-K262 PolarHBondContact O-N 3.29Å; K262-T264 PolarHBondContact O-N 2.73Å; K262-R265 PolarHBondContact O-N 3.28Å; K262-D266 PolarHBondContact O-N 2.84Å |
| 263 | A | 92.3 | Very high | 81.1 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.008 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.7 | -35.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L229 K232 L233 K259 L260 D266 S267 | L229-A263 HydrophobicContact CD1-CB 4.34Å; L229-A263 WeakPolarHBondContact CD1-O 3.48Å; K232-A263 HydrophobicContact CB-CB 4.43Å; L233-A263 HydrophobicContact CD2-CB 3.91Å; L233-A263 HydrophobicContact CG-CB 4.39Å; K259-A263 WeakPolarHBondContact O-CB 3.22Å; K259-A263 PolarHBondContact O-N 3.4Å; L260-A263 PolarHBondContact O-N 3.1Å; A263-D266 PolarHBondContact O-N 2.79Å; A263-S267 WeakPolarHBondContact O-CB 3.16Å; A263-S267 PolarHBondContact O-N 2.93Å; A263-S267 PolarHBondContact O-OG 3.49Å |
| 264 | T | 93.5 | Very high | 83.6 | Confident | 70 Ų | 70 | 74.8 Ų | 74.8 | 43% | 0.429 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 174 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | L260 A261 K262 S267 C268 | L260-T264 WeakPolarHBondContact O-CB 3.32Å; L260-T264 PolarHBondContact O-N 2.94Å; L260-T264 PolarHBondContact O-OG1 3.1Å; A261-T264 PolarHBondContact O-N 3.45Å; K262-T264 PolarHBondContact O-N 2.73Å; T264-S267 PolarHBondContact O-N 2.79Å; T264-S267 PolarHBondContact O-OG 2.85Å; T264-C268 WeakPolarHBondContact O-CB 3.44Å; T264-C268 PolarHBondContact O-N 3.42Å; T264-C268 PolarHBondContact O-SG 3.06Å |
| 265 | R | 91.9 | Very high | 86 | Confident | 143 Ų | 143 | 70.3 Ų | 70.3 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 175.9 | -67.4 | -179.2 | -159.8 | 175.8 | 5.8 | 111.6 | Y163 A261 K262 C268 K269 | Y163-R265 HydrophobicContact CE1-CB 4Å; A261-R265 WeakPolarHBondContact O-CG 3.47Å; A261-R265 PolarHBondContact O-N 3.1Å; A261-R265 VanDerWaalsContact O-N 3.17Å; K262-R265 PolarHBondContact O-N 3.28Å; R265-C268 PolarHBondContact O-N 2.78Å; R265-K269 WeakPolarHBondContact O-CB 3.24Å; R265-K269 PolarHBondContact O-N 3.17Å |
| 266 | D | 92.3 | Very high | 88.1 | Confident | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.043 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 177.7 | -72.7 | -14 | 0 | 0 | 0 | 111.2 | Y163 T165 L229 K232 K262 A263 K269 T270 | Y163-D266 PolarHBondContact OH-OD1 3.26Å; T165-D266 VanDerWaalsContact CB-OD1 3.25Å; T165-D266 WeakPolarHBondContact CB-OD1 3.31Å; T165-D266 HydrophobicContact CG2-CB 4.24Å; T165-D266 VanDerWaalsContact CG2-CG 3.48Å; T165-D266 WeakPolarHBondContact CG2-OD1 3.42Å; T165-D266 PolarHBondContact OG1-OD1 2.73Å; L229-D266 HydrophobicContact CD1-CB 4.09Å; K232-D266 WeakPolarHBondContact CD-OD2 3.15Å; K232-D266 IonicContact NZ-OD2 2.79Å; K232-D266 PolarHBondContact NZ-OD2 3.01Å; K262-D266 PolarHBondContact O-N 2.84Å; A263-D266 PolarHBondContact O-N 2.79Å; D266-K269 PolarHBondContact O-N 3.29Å; D266-T270 PolarHBondContact O-N 3.31Å; D266-T270 VanDerWaalsContact O-N 3.12Å; D266-T270 PolarHBondContact O-OG1 3.4Å |
| 267 | S | 94.6 | Very high | 89.9 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 26% | 0.259 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 177 | 74 | 0 | 0 | 0 | 0 | 112.8 | A263 T264 K269 T270 T271 | A263-S267 WeakPolarHBondContact O-CB 3.16Å; A263-S267 PolarHBondContact O-N 2.93Å; A263-S267 PolarHBondContact O-OG 3.49Å; T264-S267 PolarHBondContact O-N 2.79Å; T264-S267 PolarHBondContact O-OG 2.85Å; S267-K269 VanDerWaalsContact C-N 3.32Å; S267-K269 PolarHBondContact O-N 3.48Å; S267-T270 PolarHBondContact O-N 2.9Å; S267-T271 WeakPolarHBondContact O-CB 3.03Å; S267-T271 PolarHBondContact O-N 3.35Å; S267-T271 PolarHBondContact O-OG1 3.21Å |
| 268 | C | 94.7 | Very high | 91.4 | Very high | 64 Ų | 64 | 59.2 Ų | 59.2 | 43% | 0.432 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 174.8 | -73.5 | 0 | 0 | 0 | 0 | 111.3 | T264 R265 T271 I272 | T264-C268 WeakPolarHBondContact O-CB 3.44Å; T264-C268 PolarHBondContact O-N 3.42Å; T264-C268 PolarHBondContact O-SG 3.06Å; R265-C268 PolarHBondContact O-N 2.78Å; C268-T271 PolarHBondContact O-N 2.87Å; C268-I272 WeakPolarHBondContact O-CB 3.43Å; C268-I272 WeakPolarHBondContact O-CD1 3.34Å; C268-I272 VanDerWaalsContact O-CG1 3.22Å; C268-I272 WeakPolarHBondContact O-CG1 3.31Å; C268-I272 PolarHBondContact O-N 3.34Å |
| 269 | K | 92.1 | Very high | 91.8 | Very high | 63 Ų | 63 | 60 Ų | 60 | 27% | 0.274 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -51.6 | -179.7 | -174.6 | 178 | 179.4 | -178.6 | 0 | 111.9 | R265 D266 S267 T271 I272 E273 | R265-K269 WeakPolarHBondContact O-CB 3.24Å; R265-K269 PolarHBondContact O-N 3.17Å; D266-K269 PolarHBondContact O-N 3.29Å; S267-K269 VanDerWaalsContact C-N 3.32Å; S267-K269 PolarHBondContact O-N 3.48Å; K269-T271 VanDerWaalsContact C-N 3.27Å; K269-T271 PolarHBondContact O-N 2.85Å; K269-I272 PolarHBondContact O-N 3.24Å; K269-E273 VanDerWaalsContact CE-OE1 3.29Å; K269-E273 WeakPolarHBondContact CE-OE1 3.45Å; K269-E273 WeakPolarHBondContact O-CG 3.4Å; K269-E273 PolarHBondContact O-N 3.27Å |
| 270 | T | 91.8 | Very high | 92.1 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59 | -40.4 | 178.5 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | Q225 V226 D266 S267 A274 | Q225-T270 HydrophobicContact CB-CG2 4.22Å; V226-T270 HydrophobicContact CG2-CG2 4.28Å; D266-T270 PolarHBondContact O-N 3.31Å; D266-T270 VanDerWaalsContact O-N 3.12Å; D266-T270 PolarHBondContact O-OG1 3.4Å; S267-T270 PolarHBondContact O-N 2.9Å; T270-A274 PolarHBondContact O-N 3.38Å; T270-A274 VanDerWaalsContact O-N 3.16Å |
| 271 | T | 94.4 | Very high | 92.1 | Very high | 78 Ų | 78 | 57.2 Ų | 57.2 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 178.2 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | S267 C268 K269 E273 A274 I275 | S267-T271 WeakPolarHBondContact O-CB 3.03Å; S267-T271 PolarHBondContact O-N 3.35Å; S267-T271 PolarHBondContact O-OG1 3.21Å; C268-T271 PolarHBondContact O-N 2.87Å; K269-T271 VanDerWaalsContact C-N 3.27Å; K269-T271 PolarHBondContact O-N 2.85Å; T271-E273 PolarHBondContact O-N 3.08Å; T271-A274 PolarHBondContact O-N 3.03Å; T271-I275 HydrophobicContact CG2-CD1 3.8Å; T271-I275 HydrophobicContact CG2-CG1 4.45Å; T271-I275 VanDerWaalsContact O-CG1 3.32Å; T271-I275 WeakPolarHBondContact O-CG1 3.4Å; T271-I275 PolarHBondContact O-N 2.88Å |
| 272 | I | 93.3 | Very high | 92.3 | Very high | 87 Ų | 87 | 59.2 Ų | 59.2 | 45% | 0.446 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 179.3 | -71.1 | 164.4 | 0 | 0 | 0 | 110.9 | C268 K269 A274 I275 H276 | C268-I272 WeakPolarHBondContact O-CB 3.43Å; C268-I272 WeakPolarHBondContact O-CD1 3.34Å; C268-I272 VanDerWaalsContact O-CG1 3.22Å; C268-I272 WeakPolarHBondContact O-CG1 3.31Å; C268-I272 PolarHBondContact O-N 3.34Å; K269-I272 PolarHBondContact O-N 3.24Å; I272-A274 VanDerWaalsContact C-N 3.35Å; I272-A274 PolarHBondContact O-N 3.43Å; I272-I275 PolarHBondContact O-N 3.08Å; I272-H276 WeakPolarHBondContact CG2-CE1 3.43Å; I272-H276 PolarHBondContact O-N 3.27Å |
| 273 | E | 90.2 | Very high | 92.5 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 177.7 | -70.6 | -180 | -171.9 | 0 | 0 | 111.7 | S137 K269 T271 H276 G277 | S137-E273 WeakPolarHBondContact CB-OE2 3.41Å; S137-E273 VanDerWaalsContact OG-CD 3.26Å; S137-E273 PolarHBondContact OG-OE1 2.95Å; S137-E273 PolarHBondContact OG-OE2 3.4Å; K269-E273 VanDerWaalsContact CE-OE1 3.29Å; K269-E273 WeakPolarHBondContact CE-OE1 3.45Å; K269-E273 WeakPolarHBondContact O-CG 3.4Å; K269-E273 PolarHBondContact O-N 3.27Å; T271-E273 PolarHBondContact O-N 3.08Å; E273-H276 PolarHBondContact O-N 3.16Å; E273-G277 PolarHBondContact O-N 3.47Å |
| 274 | A | 91.4 | Very high | 92.5 | Very high | 39 Ų | 39 | 62.6 Ų | 62.6 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L215 T270 T271 I272 G277 L278 | L215-A274 WeakPolarHBondContact CD2-O 3.49Å; T270-A274 PolarHBondContact O-N 3.38Å; T270-A274 VanDerWaalsContact O-N 3.16Å; T271-A274 PolarHBondContact O-N 3.03Å; I272-A274 VanDerWaalsContact C-N 3.35Å; I272-A274 PolarHBondContact O-N 3.43Å; A274-G277 PolarHBondContact O-N 3.39Å; A274-L278 PolarHBondContact O-N 3.46Å |
| 275 | I | 93.3 | Very high | 92.6 | Very high | 88 Ų | 88 | 62 Ų | 62 | 45% | 0.451 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 178.3 | -68.4 | 169 | 0 | 0 | 0 | 111 | T271 I272 G277 L278 M279 | T271-I275 HydrophobicContact CG2-CD1 3.8Å; T271-I275 HydrophobicContact CG2-CG1 4.45Å; T271-I275 VanDerWaalsContact O-CG1 3.32Å; T271-I275 WeakPolarHBondContact O-CG1 3.4Å; T271-I275 PolarHBondContact O-N 2.88Å; I272-I275 PolarHBondContact O-N 3.08Å; I275-G277 VanDerWaalsContact C-N 3.25Å; I275-G277 PolarHBondContact O-N 2.62Å; I275-L278 CarbonylContact O-C 3.6Å; I275-L278 WeakPolarHBondContact O-CB 3.41Å; I275-L278 PolarHBondContact O-N 3.49Å; I275-M279 HydrophobicContact CG2-CG 4.17Å; I275-M279 HydrophobicContact CG2-SD 4.07Å; I275-M279 VanDerWaalsContact O-CG 3.32Å; I275-M279 WeakPolarHBondContact O-CG 3.43Å; I275-M279 PolarHBondContact O-N 3.04Å |
| 276 | H | 90.7 | Very high | 92.7 | Very high | 105 Ų | 105 | 60.8 Ų | 60.8 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.6 | -41 | 175.5 | -73.4 | 159.3 | 0 | 0 | 0 | 112 | I272 E273 L278 M279 S280 | I272-H276 WeakPolarHBondContact CG2-CE1 3.43Å; I272-H276 PolarHBondContact O-N 3.27Å; E273-H276 PolarHBondContact O-N 3.16Å; H276-L278 VanDerWaalsContact C-N 3.35Å; H276-L278 PolarHBondContact O-N 2.97Å; H276-M279 PolarHBondContact O-N 3.03Å; H276-S280 PolarHBondContact O-N 3.35Å |
| 277 | G | 89.1 | Confident | 92.7 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | S214 E273 A274 I275 S280 | S214-G277 VanDerWaalsContact OG-CA 3.26Å; S214-G277 WeakPolarHBondContact OG-CA 3.4Å; E273-G277 PolarHBondContact O-N 3.47Å; A274-G277 PolarHBondContact O-N 3.39Å; I275-G277 VanDerWaalsContact C-N 3.25Å; I275-G277 PolarHBondContact O-N 2.62Å; G277-S280 PolarHBondContact O-N 2.78Å; G277-S280 PolarHBondContact O-OG 3.25Å |
| 278 | L | 93.2 | Very high | 92.6 | Very high | 98 Ų | 98 | 68.5 Ų | 68.5 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 176.8 | -175.4 | 62.1 | 0 | 0 | 0 | 112.6 | L215 A274 I275 H276 S280 Q281 V282 | L215-L278 HydrophobicContact CD1-CB 4.27Å; A274-L278 PolarHBondContact O-N 3.46Å; I275-L278 CarbonylContact O-C 3.6Å; I275-L278 WeakPolarHBondContact O-CB 3.41Å; I275-L278 PolarHBondContact O-N 3.49Å; H276-L278 VanDerWaalsContact C-N 3.35Å; H276-L278 PolarHBondContact O-N 2.97Å; L278-S280 PolarHBondContact O-N 3.5Å; L278-Q281 WeakPolarHBondContact O-CB 3.25Å; L278-Q281 PolarHBondContact O-N 3.01Å; L278-V282 HydrophobicContact CG-CG2 4.47Å; L278-V282 PolarHBondContact O-N 3.29Å |
| 279 | M | 92.8 | Very high | 92.6 | Very high | 104 Ų | 104 | 70.7 Ų | 70.7 | 51% | 0.512 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.5 | -41 | 176.2 | -70.3 | 174.2 | 83.6 | 0 | 0 | 111.2 | I275 H276 Q281 V282 I283 | I275-M279 HydrophobicContact CG2-CG 4.17Å; I275-M279 HydrophobicContact CG2-SD 4.07Å; I275-M279 VanDerWaalsContact O-CG 3.32Å; I275-M279 WeakPolarHBondContact O-CG 3.43Å; I275-M279 PolarHBondContact O-N 3.04Å; H276-M279 PolarHBondContact O-N 3.03Å; M279-Q281 VanDerWaalsContact C-N 3.29Å; M279-Q281 PolarHBondContact O-N 2.68Å; M279-V282 PolarHBondContact O-N 3.11Å; M279-I283 VanDerWaalsContact O-CG1 3.3Å; M279-I283 WeakPolarHBondContact O-CG1 3.39Å; M279-I283 PolarHBondContact O-N 3.33Å |
| 280 | S | 91.5 | Very high | 92.6 | Very high | 34 Ų | 34 | 72.1 Ų | 72.1 | 24% | 0.238 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.5 | -37 | 175.5 | 78.3 | 0 | 0 | 0 | 0 | 112.8 | H276 G277 L278 K284 | H276-S280 PolarHBondContact O-N 3.35Å; G277-S280 PolarHBondContact O-N 2.78Å; G277-S280 PolarHBondContact O-OG 3.25Å; L278-S280 PolarHBondContact O-N 3.5Å; S280-K284 WeakPolarHBondContact O-CE 3.4Å; S280-K284 VanDerWaalsContact O-CG 3.3Å; S280-K284 WeakPolarHBondContact O-CG 3.42Å; S280-K284 PolarHBondContact O-N 2.91Å |
| 281 | Q | 92.4 | Very high | 92.5 | Very high | 58 Ų | 58 | 77.1 Ų | 77.1 | 27% | 0.271 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.6 | -42.8 | 178.2 | -54.1 | -52.3 | -58 | 0 | 0 | 111.5 | S213 L215 L278 M279 I283 K284 D285 | S213-Q281 PolarHBondContact OG-NE2 3.46Å; L215-Q281 HydrophobicContact CD1-CG 4.23Å; L278-Q281 WeakPolarHBondContact O-CB 3.25Å; L278-Q281 PolarHBondContact O-N 3.01Å; M279-Q281 VanDerWaalsContact C-N 3.29Å; M279-Q281 PolarHBondContact O-N 2.68Å; Q281-I283 VanDerWaalsContact C-N 3.32Å; Q281-I283 PolarHBondContact O-N 3.08Å; Q281-K284 VanDerWaalsContact CD-NZ 3.26Å; Q281-K284 PolarHBondContact O-N 3.39Å; Q281-K284 VanDerWaalsContact OE1-CE 3.25Å; Q281-D285 PolarHBondContact O-N 3.05Å |
| 282 | V | 94.1 | Very high | 92.2 | Very high | 77 Ų | 77 | 80.3 Ų | 80.3 | 47% | 0.467 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 177.7 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | L278 M279 K284 D285 K286 | L278-V282 HydrophobicContact CG-CG2 4.47Å; L278-V282 PolarHBondContact O-N 3.29Å; M279-V282 PolarHBondContact O-N 3.11Å; V282-K284 PolarHBondContact O-N 3.28Å; V282-D285 PolarHBondContact O-N 2.76Å; V282-K286 HydrophobicContact CG1-CG 4.47Å; V282-K286 WeakPolarHBondContact O-CB 3.46Å; V282-K286 VanDerWaalsContact O-CG 3.28Å; V282-K286 WeakPolarHBondContact O-CG 3.37Å; V282-K286 PolarHBondContact O-N 3.4Å |
| 283 | I | 92.8 | Very high | 91.6 | Very high | 94 Ų | 94 | 84.3 Ų | 84.3 | 48% | 0.482 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 175.2 | -71.2 | 165.7 | 0 | 0 | 0 | 110.7 | M279 Q281 K286 L287 | M279-I283 VanDerWaalsContact O-CG1 3.3Å; M279-I283 WeakPolarHBondContact O-CG1 3.39Å; M279-I283 PolarHBondContact O-N 3.33Å; Q281-I283 VanDerWaalsContact C-N 3.32Å; Q281-I283 PolarHBondContact O-N 3.08Å; I283-K286 PolarHBondContact O-N 3.33Å; I283-L287 HydrophobicContact CG2-CD1 3.66Å; I283-L287 HydrophobicContact CG2-CG 4.33Å; I283-L287 WeakPolarHBondContact O-CB 3.5Å; I283-L287 VanDerWaalsContact O-CG 3.3Å; I283-L287 WeakPolarHBondContact O-CG 3.48Å; I283-L287 PolarHBondContact O-N 3.2Å |
| 284 | K | 93.4 | Very high | 90.3 | Very high | 31 Ų | 31 | 91.5 Ų | 91.5 | 14% | 0.135 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 178.2 | -70.2 | 178.2 | -57.2 | 177.3 | 0 | 112 | L210 S212 S280 Q281 V282 K286 L287 F288 | L210-K284 WeakPolarHBondContact O-CD 3.37Å; L210-K284 WeakPolarHBondContact O-CG 3.3Å; S212-K284 PolarHBondContact O-NZ 3.28Å; S280-K284 WeakPolarHBondContact O-CE 3.4Å; S280-K284 VanDerWaalsContact O-CG 3.3Å; S280-K284 WeakPolarHBondContact O-CG 3.42Å; S280-K284 PolarHBondContact O-N 2.91Å; Q281-K284 VanDerWaalsContact CD-NZ 3.26Å; Q281-K284 PolarHBondContact O-N 3.39Å; Q281-K284 VanDerWaalsContact OE1-CE 3.25Å; V282-K284 PolarHBondContact O-N 3.28Å; K284-K286 VanDerWaalsContact C-N 3.33Å; K284-K286 PolarHBondContact O-N 3.01Å; K284-L287 PolarHBondContact O-N 3.31Å; K284-F288 HydrophobicContact CB-CD2 4.22Å; K284-F288 HydrophobicContact CB-CE2 4.48Å; K284-F288 HydrophobicContact CG-CE2 4.4Å; K284-F288 WeakPolarHBondContact O-CD2 3.46Å; K284-F288 PolarHBondContact O-N 3.35Å |
| 285 | D | 93.9 | Very high | 90.3 | Very high | 59 Ų | 59 | 94.2 Ų | 94.2 | 32% | 0.316 | 50% | 0.503 | S | S | . | . | I | π-helix | trans | -58.2 | -47 | 176.3 | -177.1 | 74.5 | 0 | 0 | 0 | 111.5 | Q281 V282 L287 N289 Q290 | Q281-D285 PolarHBondContact O-N 3.05Å; V282-D285 PolarHBondContact O-N 2.76Å; D285-L287 PolarHBondContact O-N 3.14Å; D285-N289 WeakPolarHBondContact O-CA 3.48Å; D285-N289 VanDerWaalsContact O-CB 3.32Å; D285-N289 WeakPolarHBondContact O-CB 3.32Å; D285-N289 PolarHBondContact O-N 3.12Å; D285-N289 WeakPolarHBondContact OD1-CB 3.43Å; D285-N289 PolarHBondContact OD1-ND2 2.8Å; D285-Q290 PolarHBondContact O-N 2.84Å; D285-Q290 PolarHBondContact OD2-NE2 3.23Å |
| 286 | K | 94.1 | Very high | 90.1 | Very high | 116 Ų | 116 | 94.5 Ų | 94.5 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | I | π-helix | trans | -64.3 | -38.1 | 178.4 | -70.1 | -74.3 | 169.8 | -175.5 | 0 | 113.2 | V282 I283 K284 Q290 | V282-K286 HydrophobicContact CG1-CG 4.47Å; V282-K286 WeakPolarHBondContact O-CB 3.46Å; V282-K286 VanDerWaalsContact O-CG 3.28Å; V282-K286 WeakPolarHBondContact O-CG 3.37Å; V282-K286 PolarHBondContact O-N 3.4Å; I283-K286 PolarHBondContact O-N 3.33Å; K284-K286 VanDerWaalsContact C-N 3.33Å; K284-K286 PolarHBondContact O-N 3.01Å; K286-Q290 VanDerWaalsContact CE-NE2 3.3Å; K286-Q290 VanDerWaalsContact NZ-NE2 3.19Å |
| 287 | L | 92.6 | Very high | 90.1 | Very high | 92 Ų | 92 | 93.9 Ų | 93.9 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | I | π-helix | trans | -74.5 | -38.6 | -178.9 | -74.8 | 171 | 0 | 0 | 0 | 113 | I283 K284 D285 | I283-L287 HydrophobicContact CG2-CD1 3.66Å; I283-L287 HydrophobicContact CG2-CG 4.33Å; I283-L287 WeakPolarHBondContact O-CB 3.5Å; I283-L287 VanDerWaalsContact O-CG 3.3Å; I283-L287 WeakPolarHBondContact O-CG 3.48Å; I283-L287 PolarHBondContact O-N 3.2Å; K284-L287 PolarHBondContact O-N 3.31Å; D285-L287 PolarHBondContact O-N 3.14Å |
| 288 | F | 93.6 | Very high | 90.1 | Very high | 116 Ų | 116 | 99.4 Ų | 99.4 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | I | π-helix | trans | -116.2 | -30 | -165.8 | -56.3 | -62.1 | 0 | 0 | 0 | 114.5 | L210 K284 | L210-F288 HydrophobicContact CB-CZ 4.48Å; L210-F288 HydrophobicContact CD1-CZ 4.21Å; K284-F288 HydrophobicContact CB-CD2 4.22Å; K284-F288 HydrophobicContact CB-CE2 4.48Å; K284-F288 HydrophobicContact CG-CE2 4.4Å; K284-F288 WeakPolarHBondContact O-CD2 3.46Å; K284-F288 PolarHBondContact O-N 3.35Å |
| 289 | N | 93.3 | Very high | 89.9 | Confident | 109 Ų | 109 | 99.5 Ų | 99.5 | 58% | 0.583 | 54% | 0.538 | S | S | * | . | I | π-helix | trans | -98.5 | -27.7 | -173.2 | -59 | -16.7 | 0 | 0 | 0 | 112.6 | D285 I291 | D285-N289 WeakPolarHBondContact O-CA 3.48Å; D285-N289 VanDerWaalsContact O-CB 3.32Å; D285-N289 WeakPolarHBondContact O-CB 3.32Å; D285-N289 PolarHBondContact O-N 3.12Å; D285-N289 WeakPolarHBondContact OD1-CB 3.43Å; D285-N289 PolarHBondContact OD1-ND2 2.8Å; N289-I291 PolarHBondContact O-N 3.04Å; N289-I291 VanDerWaalsContact O-N 3.17Å |
| 290 | Q | 92.6 | Very high | 89.8 | Confident | 93 Ų | 93 | 99.2 Ų | 99.2 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -88.2 | 32.5 | -179.6 | -55.7 | -163.8 | 10.2 | 0 | 0 | 112.9 | D285 K286 | D285-Q290 PolarHBondContact O-N 2.84Å; D285-Q290 PolarHBondContact OD2-NE2 3.23Å; K286-Q290 VanDerWaalsContact CE-NE2 3.3Å; K286-Q290 VanDerWaalsContact NZ-NE2 3.19Å |
| 291 | I | 90.9 | Very high | 89.6 | Confident | 124 Ų | 124 | 103.9 Ų | 103.9 | 64% | 0.636 | 56% | 0.562 | S | S | * | * | trans | -106.1 | 92.7 | 171.7 | -50.5 | -55.4 | 0 | 0 | 0 | 106.5 | N289 | N289-I291 PolarHBondContact O-N 3.04Å; N289-I291 VanDerWaalsContact O-N 3.17Å | ||
| 292 | N | 87.8 | Confident | 89.4 | Confident | 146 Ų | 146 | 107.4 Ų | 107.4 | 78% | 0.781 | 58% | 0.584 | S | S | * | * | trans | -66.1 | 145.4 | 176.9 | -65.7 | -40.4 | 0 | 0 | 0 | 109.8 | A294 | N292-A294 PolarHBondContact O-N 3.37Š| ||
| 293 | I | 79.6 | Confident | 89 | Confident | 171 Ų | 171 | 109.9 Ų | 109.9 | 88% | 0.877 | 59% | 0.594 | S | S | * | * | trans | -66.2 | 123.7 | 167.7 | -56.3 | 166.5 | 0 | 0 | 0 | 106.5 | ||||
| 294 | A | 63.7 | Low | 88.7 | Confident | 168 Ų | 168 | 111.4 Ų | 111.4 | 100% | 1.388 | 60% | 0.604 | S | S | * | * | trans | -64.3 | 0 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | N292 | N292-A294 PolarHBondContact O-N 3.37Š|
Retrieved 294 of 294 residues in 592.3 ms
(Link to these results)