| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.7 | Very low | 44.6 | Very low | 240 Ų | 240 | 144.5 Ų | 144.5 | 100% | 1.182 | 72% | 0.724 | S | S | * | * | 0 | 121.4 | 0 | -74.1 | 156.2 | 155.9 | 0 | 0 | 108.3 | |||||
| 2 | R | 36.5 | Very low | 44.8 | Very low | 251 Ų | 251 | 143.3 Ų | 143.3 | 95% | 0.947 | 72% | 0.721 | S | S | * | * | trans | -86.5 | 113.6 | 167.2 | -93.5 | -178.8 | 170.4 | 161.9 | -3.2 | 107.4 | M4 | R2-M4 PolarHBondContact O-N 3.27Å; R2-M4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | V | 40.7 | Very low | 44.5 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | trans | -72.9 | 105.5 | 170.6 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | A5 | V3-A5 PolarHBondContact O-N 2.89Š| ||
| 4 | M | 42.3 | Very low | 44.4 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 87% | 0.867 | 69% | 0.688 | S | S | * | * | trans | -85 | 95.4 | 178.1 | -169.1 | 165.9 | 73.3 | 0 | 0 | 107.9 | R2 | R2-M4 PolarHBondContact O-N 3.27Å; R2-M4 VanDerWaalsContact O-N 3.16Å | ||
| 5 | A | 46.1 | Very low | 44.4 | Very low | 57 Ų | 57 | 128.1 Ų | 128.1 | 47% | 0.471 | 67% | 0.667 | S | S | . | * | trans | -57.4 | 139 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | V3 R7 | V3-A5 PolarHBondContact O-N 2.89Å; A5-R7 PolarHBondContact O-N 3Å | ||
| 6 | P | 45 | Very low | 44.2 | Very low | 75 Ų | 75 | 123.3 Ų | 123.3 | 49% | 0.487 | 65% | 0.651 | S | S | . | * | trans | -62.4 | 126 | -179.7 | -19.9 | 31.8 | 0 | 0 | 0 | 110.5 | T8 L9 | P6-T8 PolarHBondContact O-N 3.34Å; P6-T8 VanDerWaalsContact O-N 3.1Å; P6-L9 WeakPolarHBondContact O-CB 3.42Å; P6-L9 PolarHBondContact O-N 3.46Å | ||
| 7 | R | 51.2 | Low | 43.7 | Very low | 221 Ų | 221 | 122.4 Ų | 122.4 | 83% | 0.834 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -56.2 | -26.9 | 176.5 | -83.5 | 178.2 | 162.5 | 147.9 | -7.2 | 113 | A5 I10 L11 | A5-R7 PolarHBondContact O-N 3Å; R7-I10 PolarHBondContact O-N 2.91Å; R7-L11 PolarHBondContact O-N 3.48Å |
| 8 | T | 49.9 | Very low | 43.4 | Very low | 100 Ų | 100 | 118.7 Ų | 118.7 | 61% | 0.613 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.8 | -34.4 | 172.7 | 37.1 | 0 | 0 | 0 | 0 | 113.7 | P6 L12 | P6-T8 PolarHBondContact O-N 3.34Å; P6-T8 VanDerWaalsContact O-N 3.1Å; T8-L12 WeakPolarHBondContact O-CG 3.43Å; T8-L12 PolarHBondContact O-N 2.91Å |
| 9 | L | 44.6 | Very low | 43.1 | Very low | 105 Ų | 105 | 117.6 Ų | 117.6 | 55% | 0.55 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -71.2 | -35.7 | 179.4 | -145.6 | 89.4 | 0 | 0 | 0 | 111.6 | P6 L13 | P6-L9 WeakPolarHBondContact O-CB 3.42Å; P6-L9 PolarHBondContact O-N 3.46Å; L9-L13 PolarHBondContact O-N 3.07Å; L9-L13 VanDerWaalsContact O-N 3.16Å |
| 10 | I | 49.1 | Very low | 42.8 | Very low | 97 Ų | 97 | 116.4 Ų | 116.4 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.5 | -42.7 | 178.7 | -63.4 | 172.2 | 0 | 0 | 0 | 110.3 | R7 L12 L13 S14 | R7-I10 PolarHBondContact O-N 2.91Å; I10-L12 PolarHBondContact O-N 3.37Å; I10-L13 PolarHBondContact O-N 2.98Å; I10-S14 PolarHBondContact O-N 3.49Å; I10-S14 PolarHBondContact O-OG 3.31Å |
| 11 | L | 51.2 | Low | 42.5 | Very low | 126 Ų | 126 | 118.5 Ų | 118.5 | 66% | 0.66 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.3 | -38.9 | 177.5 | -73.7 | 166.8 | 0 | 0 | 0 | 113 | R7 S14 G15 | R7-L11 PolarHBondContact O-N 3.48Å; L11-S14 PolarHBondContact O-N 3.23Å; L11-G15 PolarHBondContact O-N 3.13Å |
| 12 | L | 46.5 | Very low | 42.9 | Very low | 131 Ų | 131 | 112 Ų | 112 | 69% | 0.686 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.2 | -40.6 | 174.5 | -75.2 | 165.7 | 0 | 0 | 0 | 112 | T8 I10 G15 A16 | T8-L12 WeakPolarHBondContact O-CG 3.43Å; T8-L12 PolarHBondContact O-N 2.91Å; I10-L12 PolarHBondContact O-N 3.37Å; L12-G15 PolarHBondContact O-N 2.92Å; L12-A16 WeakPolarHBondContact O-CB 3.32Å; L12-A16 PolarHBondContact O-N 3.35Å |
| 13 | L | 40.5 | Very low | 43.6 | Very low | 101 Ų | 101 | 103.7 Ų | 103.7 | 53% | 0.529 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.7 | -35.8 | 173.5 | -76.9 | 162.4 | 0 | 0 | 0 | 112.5 | L9 I10 L17 | L9-L13 PolarHBondContact O-N 3.07Å; L9-L13 VanDerWaalsContact O-N 3.16Å; I10-L13 PolarHBondContact O-N 2.98Å; L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.38Å |
| 14 | S | 44.2 | Very low | 44.3 | Very low | 64 Ų | 64 | 99.2 Ų | 99.2 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.7 | -42.6 | 174.4 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | I10 L11 A18 | I10-S14 PolarHBondContact O-N 3.49Å; I10-S14 PolarHBondContact O-OG 3.31Å; L11-S14 PolarHBondContact O-N 3.23Å; S14-A18 WeakPolarHBondContact O-CB 3.45Å; S14-A18 PolarHBondContact O-N 3.38Å |
| 15 | G | 43.5 | Very low | 45.8 | Very low | 37 Ų | 37 | 93.7 Ų | 93.7 | 38% | 0.381 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L11 L12 A18 L19 | L11-G15 PolarHBondContact O-N 3.13Å; L12-G15 PolarHBondContact O-N 2.92Å; G15-A18 PolarHBondContact O-N 3.3Å; G15-L19 WeakPolarHBondContact O-CB 3.34Å; G15-L19 PolarHBondContact O-N 3.46Å |
| 16 | A | 42 | Very low | 47.9 | Very low | 50 Ų | 50 | 94.3 Ų | 94.3 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L12 L19 T20 | L12-A16 WeakPolarHBondContact O-CB 3.32Å; L12-A16 PolarHBondContact O-N 3.35Å; A16-L19 PolarHBondContact O-N 2.84Å; A16-T20 WeakPolarHBondContact O-CG2 3.44Å; A16-T20 PolarHBondContact O-N 2.87Å; A16-T20 PolarHBondContact O-OG1 3.35Å |
| 17 | L | 35.3 | Very low | 50.3 | Low | 109 Ų | 109 | 92.2 Ų | 92.2 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 177.2 | -80.5 | 163.3 | 0 | 0 | 0 | 112.2 | L13 L19 T20 E21 | L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.38Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 3.29Å; L17-T20 WeakPolarHBondContact CA-OG1 3.49Å; L17-T20 PolarHBondContact O-N 2.89Å; L17-T20 VanDerWaalsContact O-N 3.12Å; L17-T20 PolarHBondContact O-OG1 3.48Å; L17-E21 PolarHBondContact O-N 2.87Å |
| 18 | A | 38.2 | Very low | 52.5 | Low | 56 Ų | 56 | 83 Ų | 83 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.6 | -34.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | S14 G15 T22 | S14-A18 WeakPolarHBondContact O-CB 3.45Å; S14-A18 PolarHBondContact O-N 3.38Å; G15-A18 PolarHBondContact O-N 3.3Å; A18-T22 PolarHBondContact O-OG1 3.48Å |
| 19 | L | 36.8 | Very low | 54.8 | Low | 98 Ų | 98 | 78.3 Ų | 78.3 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.7 | -27.2 | 172.4 | -89.2 | 157 | 0 | 0 | 0 | 113.3 | G15 A16 L17 T22 | G15-L19 WeakPolarHBondContact O-CB 3.34Å; G15-L19 PolarHBondContact O-N 3.46Å; A16-L19 PolarHBondContact O-N 2.84Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 3.29Å; L19-T22 PolarHBondContact O-OG1 3Å |
| 20 | T | 37.2 | Very low | 57.4 | Low | 93 Ų | 93 | 75.5 Ų | 75.5 | 57% | 0.571 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -83.7 | -27.7 | 175.6 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | A16 L17 | A16-T20 WeakPolarHBondContact O-CG2 3.44Å; A16-T20 PolarHBondContact O-N 2.87Å; A16-T20 PolarHBondContact O-OG1 3.35Å; L17-T20 WeakPolarHBondContact CA-OG1 3.49Å; L17-T20 PolarHBondContact O-N 2.89Å; L17-T20 VanDerWaalsContact O-N 3.12Å; L17-T20 PolarHBondContact O-OG1 3.48Å |
| 21 | E | 37.3 | Very low | 59.7 | Low | 161 Ų | 161 | 71.4 Ų | 71.4 | 75% | 0.752 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -73.7 | -25.9 | 177.1 | -84.1 | -172.7 | 144.7 | 0 | 0 | 113.2 | L17 W23 | L17-E21 PolarHBondContact O-N 2.87Å; E21-W23 VanDerWaalsContact C-N 3.28Å; E21-W23 PolarHBondContact O-N 3.49Å |
| 22 | T | 43.7 | Very low | 62 | Low | 104 Ų | 104 | 69.3 Ų | 69.3 | 64% | 0.638 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -2.7 | -178.1 | 44.6 | 0 | 0 | 0 | 0 | 115.3 | A18 L19 | A18-T22 PolarHBondContact O-OG1 3.48Å; L19-T22 PolarHBondContact O-OG1 3Å |
| 23 | W | 51.4 | Low | 64.5 | Low | 75 Ų | 75 | 63.1 Ų | 63.1 | 28% | 0.284 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | 15.2 | -173.8 | -61.2 | 67.7 | 0 | 0 | 0 | 113 | E21 C25 H287 E288 L290 | E21-W23 VanDerWaalsContact C-N 3.28Å; E21-W23 PolarHBondContact O-N 3.49Å; W23-C25 PolarHBondContact O-N 2.93Å; W23-H287 VanDerWaalsContact CH2-C 3.44Å; W23-H287 WeakPolarHBondContact CH2-O 3.45Å; W23-H287 WeakPolarHBondContact CZ3-O 3.43Å; W23-E288 HydrophobicContact CE3-CB 4.48Å; W23-E288 HydrophobicContact CE3-CG 4.27Å; W23-E288 WeakPolarHBondContact CZ3-O 3.28Å; W23-L290 VanDerWaalsContact CH2-O 3.26Å; W23-L290 WeakPolarHBondContact CH2-O 3.36Å; W23-L290 WeakPolarHBondContact CZ3-O 3.32Å |
| 24 | A | 55.2 | Low | 67.3 | Low | 47 Ų | 47 | 60.1 Ų | 60.1 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -79.8 | 100.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | S26 P129 | A24-S26 PolarHBondContact O-N 3.33Å; A24-P129 HydrophobicContact CB-CB 4.05Å; A24-P129 HydrophobicContact CB-CG 3.31Å; A24-P129 WeakPolarHBondContact O-CG 3.39Å |
| 25 | C | 72.3 | Confident | 69.9 | Low | 60 Ų | 60 | 57.1 Ų | 57.1 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | trans | -45.7 | 108.2 | -172 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | W23 E288 | W23-C25 PolarHBondContact O-N 2.93Å; C25-E288 PolarHBondContact SG-OE1 3.13Å | ||
| 26 | S | 90.6 | Very high | 72.5 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 49% | 0.49 | 33% | 0.33 | S | S | . | . | trans | -96 | 146.5 | 167.6 | 57.3 | 0 | 0 | 0 | 0 | 108.8 | A24 L127 | A24-S26 PolarHBondContact O-N 3.33Å; S26-L127 WeakPolarHBondContact CA-O 3.37Å; S26-L127 WeakPolarHBondContact CB-O 3.33Å | ||
| 27 | H | 95.3 | Very high | 75.1 | Confident | 32 Ų | 32 | 56 Ų | 56 | 15% | 0.148 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.5 | 179.3 | -69.1 | -72.4 | 0 | 0 | 0 | 110.3 | D53 D126 L127 L192 L196 | H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.39Å; H27-D53 IonicContact CE1-OD2 2.7Å; H27-D53 IonicContact CG-OD2 3.5Å; H27-D53 IonicContact ND1-OD1 3.1Å; H27-D53 IonicContact ND1-OD2 2.76Å; H27-D53 PolarHBondContact ND1-OD2 2.93Å; H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.28Å; H27-L127 PolarHBondContact N-O 3.3Å; H27-L127 PolarHBondContact O-N 3.44Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.64Å; H27-L196 HydrophobicContact CB-CD2 3.95Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.44Å |
| 28 | S | 97.5 | Very high | 78 | Confident | 26 Ų | 26 | 54 Ų | 54 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.8 | -177.9 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | V52 D53 C125 D126 | S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; S28-D53 PolarHBondContact N-OD1 3.43Å; S28-D53 PolarHBondContact O-N 2.94Å; S28-D53 PolarHBondContact OG-OD1 2.81Å; S28-C125 CarbonylContact C-O 3.57Å; S28-C125 WeakPolarHBondContact CA-O 3.39Å; S28-D126 WeakPolarHBondContact CB-OD1 3.22Å |
| 29 | M | 98.6 | Very high | 80.6 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 118.5 | 166.4 | -179.3 | 175.7 | 61.1 | 0 | 0 | 108 | Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195 | M29-Y31 HydrophobicContact CE-CE2 4.3Å; M29-Y31 HydrophobicContact CG-CE2 4.11Å; M29-Y31 HydrophobicContact SD-CE2 4Å; M29-Y51 WeakPolarHBondContact CA-O 3.31Å; M29-V52 HydrophobicContact CB-CG2 4.5Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; M29-F57 HydrophobicContact CG-CE1 4.36Å; M29-F57 HydrophobicContact SD-CZ 4.38Å; M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.45Å; M29-C125 PolarHBondContact N-O 3.41Å; M29-C125 PolarHBondContact O-N 2.86Å; M29-C188 HydrophobicContact CE-CB 4.13Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.38Å; M29-W191 HydrophobicContact CE-CB 4.1Å; M29-W191 HydrophobicContact SD-CB 4.35Å; M29-L192 HydrophobicContact CB-CB 3.98Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.19Å; M29-L192 HydrophobicContact CE-CB 4.36Å; M29-Y195 HydrophobicContact SD-CD2 3.79Å; M29-Y195 HydrophobicContact SD-CE2 3.49Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.4Å |
| 30 | R | 98.6 | Very high | 83.2 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.6 | -176.6 | -53.5 | -59.9 | -174.2 | 75 | 6.7 | 110.3 | F32 G50 Y51 M122 D126 Y137 | R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.96Å; R30-G50 WeakPolarHBondContact O-CA 3.25Å; R30-Y51 PolarHBondContact N-O 3.44Å; R30-Y51 PolarHBondContact O-N 2.91Å; R30-M122 HydrophobicContact CB-SD 4.44Å; R30-M122 HydrophobicContact CG-SD 4.46Å; R30-D126 IonicContact CZ-OD1 3.24Å; R30-D126 VanDerWaalsContact CZ-OD1 3.26Å; R30-D126 IonicContact NE-OD1 2.67Å; R30-D126 PolarHBondContact NE-OD1 2.91Å; R30-D126 IonicContact NH2-OD1 3.57Å; R30-D126 PolarHBondContact NH2-OD1 3.24Å; R30-D126 IonicContact NH2-OD2 3.75Å; R30-D126 PolarHBondContact NH2-OD2 2.67Å; R30-Y137 VanDerWaalsContact CZ-CE2 3.49Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.31Å; R30-Y137 PolarHBondContact NH2-OH 3.22Å |
| 31 | Y | 98.8 | Very high | 85.8 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 4% | 0.043 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 138.8 | 167.6 | -70.7 | -97.2 | 0 | 0 | 0 | 109.1 | M29 V49 F57 V58 M122 Y123 | M29-Y31 HydrophobicContact CE-CE2 4.3Å; M29-Y31 HydrophobicContact CG-CE2 4.11Å; M29-Y31 HydrophobicContact SD-CE2 4Å; Y31-V49 WeakPolarHBondContact CA-O 3.38Å; Y31-F57 HydrophobicContact CE1-CZ 4.12Å; Y31-F57 HydrophobicContact CE2-CZ 4.41Å; Y31-F57 AromaticContact CZ-CZ 3.76Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.32Å; Y31-V58 HydrophobicContact CE1-CG1 3.99Å; Y31-M122 WeakPolarHBondContact O-CA 3.13Å; Y31-Y123 HydrophobicContact CD2-CD2 4.26Å; Y31-Y123 AromaticContact CD2-CE2 3.53Å; Y31-Y123 HydrophobicContact CD2-CE2 3.53Å; Y31-Y123 AromaticContact CD2-CZ 3.95Å; Y31-Y123 HydrophobicContact CE2-CE2 4.33Å; Y31-Y123 HydrophobicContact CG-CE1 4.44Å; Y31-Y123 AromaticContact CG-CE2 3.77Å; Y31-Y123 HydrophobicContact CG-CE2 3.77Å; Y31-Y123 AromaticContact CG-CZ 3.67Å; Y31-Y123 PolarHBondContact N-O 3.27Å; Y31-Y123 PolarHBondContact O-N 2.92Å; Y31-Y123 VanDerWaalsContact O-N 3.17Å |
| 32 | F | 98.8 | Very high | 88.4 | Confident | 83 Ų | 83 | 54.4 Ų | 54.4 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 106.8 | 176.2 | -56.8 | -96.6 | 0 | 0 | 0 | 108.5 | R30 S48 V49 Y51 W121 M122 | R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.96Å; F32-S48 WeakPolarHBondContact O-CA 3.37Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.36Å; F32-V49 PolarHBondContact N-O 2.9Å; F32-V49 PolarHBondContact O-N 2.94Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.14Å; F32-W121 WeakPolarHBondContact CA-O 3.47Å; F32-M122 HydrophobicContact CD1-CB 4.04Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.19Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.42Å; F32-M122 HydrophobicContact CZ-CG 3.98Å |
| 33 | D | 98.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 141.7 | 173.4 | -80.5 | 3 | 0 | 0 | 0 | 109 | F46 I47 S48 N94 Y98 Q120 W121 | D33-F46 HydrophobicContact CB-CE2 3.86Å; D33-F46 HydrophobicContact CB-CZ 4.13Å; D33-F46 VanDerWaalsContact CG-CZ 3.47Å; D33-F46 WeakPolarHBondContact OD2-CZ 3.33Å; D33-I47 CarbonylContact C-O 3.55Å; D33-S48 WeakPolarHBondContact OD1-CB 3.43Å; D33-S48 PolarHBondContact OD1-OG 3.32Å; D33-N94 PolarHBondContact OD2-ND2 2.82Å; D33-Y98 HydrophobicContact CB-CE1 4.26Å; D33-Y98 HydrophobicContact CB-CE2 4.23Å; D33-Y98 WeakPolarHBondContact CB-OH 3.48Å; D33-Q120 WeakPolarHBondContact O-CA 3.37Å; D33-W121 HydrophobicContact CB-CB 4.26Å; D33-W121 HydrophobicContact CB-CE3 4.45Å; D33-W121 PolarHBondContact N-O 2.81Å; D33-W121 PolarHBondContact O-N 3.27Å |
| 34 | T | 98.8 | Very high | 93 | Very high | 39 Ų | 39 | 50.8 Ų | 50.8 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 123 | 175.9 | -66.1 | 0 | 0 | 0 | 0 | 109.9 | V36 F46 I47 T118 L119 Q120 | T34-V36 HydrophobicContact CG2-CG2 4.2Å; T34-F46 WeakPolarHBondContact O-CA 3.37Å; T34-I47 PolarHBondContact N-O 3.18Å; T34-I47 PolarHBondContact O-N 2.93Å; T34-T118 HydrophobicContact CG2-CG2 4.2Å; T34-L119 WeakPolarHBondContact CA-O 3.34Å; T34-Q120 HydrophobicContact CG2-CG 4.11Å |
| 35 | A | 98.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 137.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R45 F46 Y98 L102 T118 L119 | A35-R45 CarbonylContact C-O 3.6Å; A35-R45 WeakPolarHBondContact CA-O 3.37Å; A35-F46 HydrophobicContact CB-CD2 4.3Å; A35-Y98 HydrophobicContact CB-CD1 3.44Å; A35-Y98 VanDerWaalsContact CB-CD1 3.44Å; A35-Y98 HydrophobicContact CB-CE1 4.42Å; A35-Y98 HydrophobicContact CB-CG 3.95Å; A35-L102 HydrophobicContact CB-CD1 3.82Å; A35-T118 CarbonylContact O-C 3.58Å; A35-T118 WeakPolarHBondContact O-CA 3.43Å; A35-L119 PolarHBondContact N-O 3.09Å; A35-L119 PolarHBondContact O-N 3.37Å |
| 36 | V | 98.4 | Very high | 96.3 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 115.7 | 179.7 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | T34 P44 R45 H117 T118 | T34-V36 HydrophobicContact CG2-CG2 4.2Å; V36-P44 CarbonylContact O-C 3.54Å; V36-P44 WeakPolarHBondContact O-CA 3.46Å; V36-P44 WeakPolarHBondContact O-CB 3.38Å; V36-R45 PolarHBondContact N-O 3.4Å; V36-R45 PolarHBondContact O-N 2.92Å; V36-H117 CarbonylContact C-O 3.54Å; V36-H117 WeakPolarHBondContact CA-O 3.2Å; V36-T118 HydrophobicContact CG2-CG2 4.18Å |
| 37 | S | 97.6 | Very high | 96.7 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | trans | -68.2 | 145.9 | 173.1 | 76.8 | 0 | 0 | 0 | 0 | 110.5 | G115 S116 H117 | S37-G115 PolarHBondContact OG-O 3.13Å; S37-S116 PolarHBondContact O-OG 3.41Å; S37-H117 PolarHBondContact N-O 2.94Å; S37-H117 PolarHBondContact OG-N 2.93Å; S37-H117 PolarHBondContact OG-O 2.77Å | ||
| 38 | R | 95.8 | Very high | 96.9 | Very high | 67 Ų | 67 | 47 Ų | 47 | 25% | 0.253 | 26% | 0.259 | S | S | . | . | trans | -137.7 | 71.9 | -176 | -62.4 | -180 | -69.4 | -168.6 | -5.7 | 111 | G40 R41 E43 D63 | R38-G40 PolarHBondContact O-N 2.98Å; R38-R41 HydrophobicContact CB-CB 4.14Å; R38-R41 PolarHBondContact O-N 3.42Å; R38-E43 PolarHBondContact NE-O 3.01Å; R38-E43 PolarHBondContact NH2-O 3.36Å; R38-E43 VanDerWaalsContact NH2-O 3.13Å; R38-D63 IonicContact CZ-OD1 3.62Å; R38-D63 IonicContact CZ-OD2 3.46Å; R38-D63 IonicContact NH1-OD1 3.99Å; R38-D63 IonicContact NH1-OD2 2.89Å; R38-D63 PolarHBondContact NH1-OD2 3.08Å; R38-D63 IonicContact NH2-OD1 3.27Å; R38-D63 PolarHBondContact NH2-OD1 2.81Å; R38-D63 IonicContact NH2-OD2 3.15Å; R38-D63 PolarHBondContact NH2-OD2 2.85Å | ||
| 39 | P | 92.4 | Very high | 96.9 | Very high | 48 Ų | 48 | 47 Ų | 47 | 31% | 0.312 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 134.3 | -177.3 | -27.5 | 35.7 | 0 | 0 | 0 | 112.6 | R41 E113 G115 | P39-R41 PolarHBondContact O-N 3.46Å; P39-R41 VanDerWaalsContact O-N 3.14Å; P39-E113 WeakPolarHBondContact CB-O 3.35Å; P39-E113 VanDerWaalsContact CG-O 3.23Å; P39-E113 WeakPolarHBondContact CG-O 3.23Å; P39-G115 WeakPolarHBondContact CG-O 3.47Å |
| 40 | G | 91.2 | Very high | 96.9 | Very high | 91 Ų | 91 | 47 Ų | 47 | 94% | 0.938 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | R38 | R38-G40 PolarHBondContact O-N 2.98Š|
| 41 | R | 92.9 | Very high | 96.9 | Very high | 215 Ų | 215 | 48.1 Ų | 48.1 | 81% | 0.811 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -124.5 | 21.6 | -177.9 | -57.8 | -175.4 | -177.3 | -169.9 | 1.4 | 113.8 | R38 P39 | R38-R41 HydrophobicContact CB-CB 4.14Å; R38-R41 PolarHBondContact O-N 3.42Å; P39-R41 PolarHBondContact O-N 3.46Å; P39-R41 VanDerWaalsContact O-N 3.14Å |
| 42 | G | 91.8 | Very high | 96.9 | Very high | 62 Ų | 62 | 47.6 Ų | 47.6 | 64% | 0.639 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 99.8 | -160.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 43 | E | 94.8 | Very high | 96.8 | Very high | 84 Ų | 84 | 45 Ų | 45 | 39% | 0.393 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -75.1 | 158.4 | -178.8 | -70.7 | -68.9 | 178.3 | 0 | 0 | 112.2 | R38 R45 R99 R103 | R38-E43 PolarHBondContact NE-O 3.01Å; R38-E43 PolarHBondContact NH2-O 3.36Å; R38-E43 VanDerWaalsContact NH2-O 3.13Å; E43-R45 PolarHBondContact O-N 3.45Å; E43-R99 VanDerWaalsContact CD-NE 3.25Å; E43-R99 IonicContact OE1-CZ 2.91Å; E43-R99 IonicContact OE1-NE 2.75Å; E43-R99 WeakPolarHBondContact OE2-CD 3.33Å; E43-R99 IonicContact OE2-CZ 3.8Å; E43-R99 IonicContact OE2-NE 3.71Å; E43-R99 PolarHBondContact OE2-NE 3.4Å; E43-R103 IonicContact OE1-NH2 2.93Å; E43-R103 IonicContact OE2-NH2 2.77Å |
| 44 | P | 96.9 | Very high | 96.6 | Very high | 20 Ų | 20 | 48 Ų | 48 | 13% | 0.13 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 137 | 173.4 | -25.8 | 34.5 | 0 | 0 | 0 | 111.5 | V36 R99 L102 | V36-P44 CarbonylContact O-C 3.54Å; V36-P44 WeakPolarHBondContact O-CA 3.46Å; V36-P44 WeakPolarHBondContact O-CB 3.38Å; P44-R99 HydrophobicContact CG-CB 4.46Å; P44-R99 HydrophobicContact CG-CG 4.26Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.9Å |
| 45 | R | 98.2 | Very high | 96.6 | Very high | 84 Ų | 84 | 47.4 Ų | 47.4 | 32% | 0.317 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 142 | 167.6 | -162.5 | 168.7 | -177.8 | 173.9 | -2.1 | 107.7 | A35 V36 E43 I47 D61 S62 D63 | A35-R45 CarbonylContact C-O 3.6Å; A35-R45 WeakPolarHBondContact CA-O 3.37Å; V36-R45 PolarHBondContact N-O 3.4Å; V36-R45 PolarHBondContact O-N 2.92Å; E43-R45 PolarHBondContact O-N 3.45Å; R45-I47 HydrophobicContact CG-CG1 4.16Å; R45-D61 IonicContact CZ-OD1 3.89Å; R45-D61 IonicContact CZ-OD2 2.62Å; R45-D61 IonicContact NE-OD1 3.55Å; R45-D61 PolarHBondContact NE-OD1 3Å; R45-D61 IonicContact NE-OD2 3.14Å; R45-D61 VanDerWaalsContact NH2-CG 3.31Å; R45-D61 IonicContact NH2-OD1 3.78Å; R45-D61 PolarHBondContact NH2-OD1 2.93Å; R45-D61 VanDerWaalsContact NH2-OD1 3.15Å; R45-D61 IonicContact NH2-OD2 3.79Å; R45-D61 PolarHBondContact NH2-OD2 2.9Å; R45-S62 WeakPolarHBondContact CA-OG 3.49Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.5Å; R45-D63 IonicContact CZ-OD2 2.66Å; R45-D63 IonicContact NE-OD2 3.73Å; R45-D63 PolarHBondContact NE-OD2 3.31Å |
| 46 | F | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128 | 166.8 | 175.4 | -96.4 | 0 | 0 | 0 | 109 | D33 T34 A35 F60 S62 F91 N94 T95 Y98 | D33-F46 HydrophobicContact CB-CE2 3.86Å; D33-F46 HydrophobicContact CB-CZ 4.13Å; D33-F46 VanDerWaalsContact CG-CZ 3.47Å; D33-F46 WeakPolarHBondContact OD2-CZ 3.33Å; T34-F46 WeakPolarHBondContact O-CA 3.37Å; A35-F46 HydrophobicContact CB-CD2 4.3Å; F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.82Å; F46-F60 HydrophobicContact CD1-CE1 3.82Å; F46-F60 AromaticContact CE1-CD1 3.92Å; F46-F60 HydrophobicContact CE1-CD1 3.92Å; F46-F60 HydrophobicContact CE1-CE1 4.3Å; F46-S62 PolarHBondContact N-OG 2.91Å; F46-S62 PolarHBondContact O-N 2.95Å; F46-S62 PolarHBondContact O-OG 3.03Å; F46-F91 HydrophobicContact CE1-CB 4.4Å; F46-N94 HydrophobicContact CE1-CB 4.14Å; F46-N94 HydrophobicContact CE2-CB 3.97Å; F46-N94 HydrophobicContact CZ-CB 3.55Å; F46-T95 HydrophobicContact CB-CG2 3.99Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.2Å; F46-Y98 HydrophobicContact CD2-CD1 4.3Å; F46-Y98 HydrophobicContact CD2-CD2 4.03Å; F46-Y98 HydrophobicContact CD2-CE2 4.5Å; F46-Y98 AromaticContact CD2-CG 3.9Å; F46-Y98 HydrophobicContact CD2-CG 3.9Å; F46-Y98 HydrophobicContact CE2-CD1 4.35Å; F46-Y98 AromaticContact CE2-CD2 3.65Å; F46-Y98 HydrophobicContact CE2-CD2 3.65Å; F46-Y98 HydrophobicContact CE2-CE1 4.41Å; F46-Y98 AromaticContact CE2-CE2 3.74Å; F46-Y98 HydrophobicContact CE2-CE2 3.74Å; F46-Y98 AromaticContact CE2-CG 3.96Å; F46-Y98 HydrophobicContact CE2-CG 3.96Å |
| 47 | I | 98.8 | Very high | 96.5 | Very high | 44 Ų | 44 | 47.7 Ų | 47.7 | 23% | 0.226 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 134.8 | 174.7 | -57.7 | 176.1 | 0 | 0 | 0 | 106.8 | D33 T34 R45 V49 F60 | D33-I47 CarbonylContact C-O 3.55Å; T34-I47 PolarHBondContact N-O 3.18Å; T34-I47 PolarHBondContact O-N 2.93Å; R45-I47 HydrophobicContact CG-CG1 4.16Å; I47-V49 HydrophobicContact CG2-CG1 4.38Å; I47-F60 WeakPolarHBondContact CA-O 3.47Å |
| 48 | S | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137.7 | 170.1 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | F32 D33 R59 F60 F91 | F32-S48 WeakPolarHBondContact O-CA 3.37Å; D33-S48 WeakPolarHBondContact OD1-CB 3.43Å; D33-S48 PolarHBondContact OD1-OG 3.32Å; S48-R59 CarbonylContact O-C 3.55Å; S48-R59 WeakPolarHBondContact O-CA 3.38Å; S48-F60 PolarHBondContact N-O 3.14Å; S48-F60 VanDerWaalsContact N-O 3.08Å; S48-F60 PolarHBondContact O-N 2.89Å; S48-F91 VanDerWaalsContact OG-CE1 3.25Å; S48-F91 WeakPolarHBondContact OG-CE1 3.45Å |
| 49 | V | 98.8 | Very high | 96.7 | Very high | 26 Ų | 26 | 46.9 Ų | 46.9 | 16% | 0.158 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137 | 172 | -63.6 | 0 | 0 | 0 | 0 | 110 | Y31 F32 I47 Y51 Q56 V58 R59 | Y31-V49 WeakPolarHBondContact CA-O 3.38Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.36Å; F32-V49 PolarHBondContact N-O 2.9Å; F32-V49 PolarHBondContact O-N 2.94Å; I47-V49 HydrophobicContact CG2-CG1 4.38Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; V49-V58 WeakPolarHBondContact CA-O 3.43Å; V49-R59 HydrophobicContact CG1-CG 4.26Å |
| 50 | G | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R30 F57 V58 | R30-G50 WeakPolarHBondContact O-CA 3.25Å; G50-F57 VanDerWaalsContact C-CD1 3.4Å; G50-F57 VanDerWaalsContact O-CD1 3.22Å; G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 3.31Å; G50-V58 PolarHBondContact N-O 2.87Å; G50-V58 PolarHBondContact O-N 3.08Å |
| 51 | Y | 98.6 | Very high | 97.3 | Very high | 71 Ų | 71 | 41.2 Ų | 41.2 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.1 | -179.1 | -77.4 | -103.8 | 0 | 0 | 0 | 110.6 | M29 R30 F32 V49 T55 Q56 | M29-Y51 WeakPolarHBondContact CA-O 3.31Å; R30-Y51 PolarHBondContact N-O 3.44Å; R30-Y51 PolarHBondContact O-N 2.91Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.14Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 WeakPolarHBondContact CA-O 3.32Å; Y51-Q56 HydrophobicContact CD1-CB 4.07Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.29Å; Y51-Q56 HydrophobicContact CE1-CB 3.61Å; Y51-Q56 HydrophobicContact CE1-CG 4.32Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å |
| 52 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118.8 | 157 | 175.7 | 0 | 0 | 0 | 0 | 105.9 | S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203 | S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; M29-V52 HydrophobicContact CB-CG2 4.5Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; V52-D54 PolarHBondContact O-N 2.98Å; V52-T55 PolarHBondContact N-O 3.14Å; V52-T55 WeakPolarHBondContact O-CA 3.4Å; V52-T55 WeakPolarHBondContact O-CB 3.41Å; V52-T55 PolarHBondContact O-N 3.33Å; V52-F57 HydrophobicContact CG2-CD1 3.92Å; V52-F57 HydrophobicContact CG2-CE1 3.98Å; V52-W75 HydrophobicContact CB-CH2 4.25Å; V52-W75 HydrophobicContact CB-CZ2 4.35Å; V52-W75 HydrophobicContact CG2-CH2 3.82Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.76Å; V52-Y195 HydrophobicContact CG2-CG 4.34Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.34Å; V52-L203 HydrophobicContact CB-CD2 4.25Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.13Å |
| 53 | D | 96 | Very high | 97.8 | Very high | 29 Ų | 29 | 32.8 Ų | 32.8 | 16% | 0.155 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | -129.6 | -165.5 | -51.3 | -41.1 | 0 | 0 | 0 | 110.4 | H27 S28 T55 | H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.39Å; H27-D53 IonicContact CE1-OD2 2.7Å; H27-D53 IonicContact CG-OD2 3.5Å; H27-D53 IonicContact ND1-OD1 3.1Å; H27-D53 IonicContact ND1-OD2 2.76Å; H27-D53 PolarHBondContact ND1-OD2 2.93Å; S28-D53 PolarHBondContact N-OD1 3.43Å; S28-D53 PolarHBondContact O-N 2.94Å; S28-D53 PolarHBondContact OG-OD1 2.81Å; D53-T55 VanDerWaalsContact C-N 3.28Å; D53-T55 PolarHBondContact O-N 2.69Å |
| 54 | D | 95.9 | Very high | 98 | Very high | 61 Ų | 61 | 30.4 Ų | 30.4 | 33% | 0.326 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 2.7 | 177.5 | -63 | -61.4 | 0 | 0 | 0 | 114.2 | V52 Y233 P234 A235 F265 | V52-D54 PolarHBondContact O-N 2.98Å; D54-Y233 HydrophobicContact CB-CE2 4Å; D54-P234 VanDerWaalsContact OD2-CB 3.28Å; D54-P234 WeakPolarHBondContact OD2-CB 3.13Å; D54-A235 HydrophobicContact CB-CB 4.35Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 WeakPolarHBondContact OD1-CB 3.25Å; D54-A235 WeakPolarHBondContact OD2-CB 3.31Å; D54-A235 PolarHBondContact OD2-N 3.17Å; D54-F265 HydrophobicContact CB-CE2 3.72Å; D54-F265 HydrophobicContact CB-CZ 3.73Å |
| 55 | T | 96.8 | Very high | 98 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 17% | 0.172 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 112.7 | -175.7 | -63.8 | 0 | 0 | 0 | 0 | 112 | Y51 V52 D53 F57 A73 W75 L203 Y233 | Y51-T55 WeakPolarHBondContact CA-O 3.32Å; V52-T55 PolarHBondContact N-O 3.14Å; V52-T55 WeakPolarHBondContact O-CA 3.4Å; V52-T55 WeakPolarHBondContact O-CB 3.41Å; V52-T55 PolarHBondContact O-N 3.33Å; D53-T55 VanDerWaalsContact C-N 3.28Å; D53-T55 PolarHBondContact O-N 2.69Å; T55-F57 PolarHBondContact O-N 3.15Å; T55-A73 HydrophobicContact CG2-CB 4.26Å; T55-W75 HydrophobicContact CG2-CZ2 4.37Å; T55-L203 HydrophobicContact CG2-CD2 4.04Å; T55-Y233 PolarHBondContact OG1-OH 3.08Å |
| 56 | Q | 97.7 | Very high | 97.9 | Very high | 51 Ų | 51 | 35 Ų | 35 | 24% | 0.238 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 126.4 | 172.5 | -166 | -176.4 | 1.4 | 0 | 0 | 110.7 | V49 Y51 V58 R72 | V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; Y51-Q56 HydrophobicContact CD1-CB 4.07Å; Y51-Q56 HydrophobicContact CD2-CB 4.49Å; Y51-Q56 HydrophobicContact CD2-CG 4.29Å; Y51-Q56 HydrophobicContact CE1-CB 3.61Å; Y51-Q56 HydrophobicContact CE1-CG 4.32Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 3.22Å; Q56-R72 HydrophobicContact CB-CB 4.43Å; Q56-R72 HydrophobicContact CG-CB 4.08Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.58Å; Q56-R72 WeakPolarHBondContact O-CB 3.49Å |
| 57 | F | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | -23.4 | 178.8 | 75.3 | -90.4 | 0 | 0 | 0 | 114.5 | M29 Y31 G50 V52 T55 P71 R72 A73 W75 V76 Y195 | M29-F57 HydrophobicContact CG-CE1 4.36Å; M29-F57 HydrophobicContact SD-CZ 4.38Å; Y31-F57 HydrophobicContact CE1-CZ 4.12Å; Y31-F57 HydrophobicContact CE2-CZ 4.41Å; Y31-F57 AromaticContact CZ-CZ 3.76Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.32Å; G50-F57 VanDerWaalsContact C-CD1 3.4Å; G50-F57 VanDerWaalsContact O-CD1 3.22Å; G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 3.31Å; V52-F57 HydrophobicContact CG2-CD1 3.92Å; V52-F57 HydrophobicContact CG2-CE1 3.98Å; T55-F57 PolarHBondContact O-N 3.15Å; F57-P71 CarbonylContact O-C 3.54Å; F57-R72 PolarHBondContact O-N 2.89Å; F57-A73 HydrophobicContact CB-CB 4.18Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.48Å; F57-W75 VanDerWaalsContact CB-CZ2 3.48Å; F57-W75 HydrophobicContact CB-CZ3 3.87Å; F57-W75 AromaticContact CD1-CH2 3.93Å; F57-W75 HydrophobicContact CD1-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CH2 4.15Å; F57-W75 HydrophobicContact CD2-CZ3 4.34Å; F57-W75 AromaticContact CG-CH2 3.51Å; F57-W75 HydrophobicContact CG-CH2 3.51Å; F57-W75 HydrophobicContact CG-CZ2 4.27Å; F57-W75 HydrophobicContact CG-CZ3 4.13Å; F57-V76 HydrophobicContact CB-CG1 4.33Å; F57-V76 HydrophobicContact CD2-CG1 4.48Å; F57-V76 HydrophobicContact CD2-CG2 4.23Å; F57-V76 VanDerWaalsContact O-CG1 3.29Å; F57-V76 WeakPolarHBondContact O-CG1 3.46Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE1-CE2 4.36Å; F57-Y195 AromaticContact CE2-CE2 3.75Å; F57-Y195 HydrophobicContact CE2-CE2 3.75Å; F57-Y195 AromaticContact CE2-CZ 3.88Å; F57-Y195 HydrophobicContact CZ-CD2 4.38Å; F57-Y195 AromaticContact CZ-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CE2 3.69Å |
| 58 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149.2 | 179.2 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | Y31 V49 G50 Q56 E70 W84 F91 | Y31-V58 HydrophobicContact CE1-CG1 3.99Å; V49-V58 WeakPolarHBondContact CA-O 3.43Å; G50-V58 PolarHBondContact N-O 2.87Å; G50-V58 PolarHBondContact O-N 3.08Å; Q56-V58 PolarHBondContact NE2-O 3.22Å; V58-E70 WeakPolarHBondContact CA-O 3.41Å; V58-W84 HydrophobicContact CG2-CZ3 4.21Å; V58-F91 HydrophobicContact CG2-CE2 4.01Å; V58-F91 HydrophobicContact CG2-CZ 4.06Å |
| 59 | R | 98.4 | Very high | 97.7 | Very high | 69 Ų | 69 | 42 Ų | 42 | 26% | 0.26 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.4 | 169.3 | -177 | 179.1 | 174.7 | 101.6 | 5.9 | 110.7 | S48 V49 D61 E70 R72 | S48-R59 CarbonylContact O-C 3.55Å; S48-R59 WeakPolarHBondContact O-CA 3.38Å; V49-R59 HydrophobicContact CG1-CG 4.26Å; R59-D61 IonicContact CZ-OD2 2.85Å; R59-D61 IonicContact NE-OD2 2.66Å; R59-D61 IonicContact NH2-OD2 3.7Å; R59-D61 PolarHBondContact NH2-OD2 2.7Å; R59-E70 PolarHBondContact N-O 2.65Å; R59-E70 PolarHBondContact O-N 3.47Å; R59-R72 HydrophobicContact CB-CG 3.94Å |
| 60 | F | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.1 | 160.9 | -179.6 | -87.5 | 0 | 0 | 0 | 109.8 | F46 I47 S48 P67 R68 F91 K92 | F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.82Å; F46-F60 HydrophobicContact CD1-CE1 3.82Å; F46-F60 AromaticContact CE1-CD1 3.92Å; F46-F60 HydrophobicContact CE1-CD1 3.92Å; F46-F60 HydrophobicContact CE1-CE1 4.3Å; I47-F60 WeakPolarHBondContact CA-O 3.47Å; S48-F60 PolarHBondContact N-O 3.14Å; S48-F60 VanDerWaalsContact N-O 3.08Å; S48-F60 PolarHBondContact O-N 2.89Å; F60-P67 HydrophobicContact CE1-CB 4.48Å; F60-P67 HydrophobicContact CE2-CB 3.83Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.38Å; F60-F91 HydrophobicContact CB-CB 3.97Å; F60-F91 HydrophobicContact CB-CD1 4.23Å; F60-F91 HydrophobicContact CB-CD2 3.63Å; F60-F91 HydrophobicContact CB-CE2 4.12Å; F60-F91 HydrophobicContact CB-CG 3.69Å; F60-F91 HydrophobicContact CD1-CB 3.82Å; F60-F91 HydrophobicContact CD1-CG 4.46Å; F60-F91 HydrophobicContact CD2-CB 3.39Å; F60-F91 AromaticContact CD2-CD2 3.72Å; F60-F91 HydrophobicContact CD2-CD2 3.72Å; F60-F91 AromaticContact CD2-CG 3.87Å; F60-F91 HydrophobicContact CD2-CG 3.87Å; F60-F91 HydrophobicContact CE1-CB 4.11Å; F60-F91 HydrophobicContact CE2-CB 3.72Å; F60-F91 HydrophobicContact CG-CB 3.45Å; F60-F91 VanDerWaalsContact CG-CB 3.45Å; F60-F91 AromaticContact CG-CD2 3.9Å; F60-F91 HydrophobicContact CG-CD2 3.9Å; F60-F91 AromaticContact CG-CG 3.77Å; F60-F91 HydrophobicContact CG-CG 3.77Å; F60-F91 HydrophobicContact CZ-CB 4.06Å; F60-K92 HydrophobicContact CE2-CG 4.28Å; F60-K92 HydrophobicContact CZ-CG 4.13Å |
| 61 | D | 98.6 | Very high | 97.6 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 10% | 0.096 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 120.1 | 176.4 | -158.4 | -36.1 | 0 | 0 | 0 | 109.7 | R45 R59 D63 A64 | R45-D61 IonicContact CZ-OD1 3.89Å; R45-D61 IonicContact CZ-OD2 2.62Å; R45-D61 IonicContact NE-OD1 3.55Å; R45-D61 PolarHBondContact NE-OD1 3Å; R45-D61 IonicContact NE-OD2 3.14Å; R45-D61 VanDerWaalsContact NH2-CG 3.31Å; R45-D61 IonicContact NH2-OD1 3.78Å; R45-D61 PolarHBondContact NH2-OD1 2.93Å; R45-D61 VanDerWaalsContact NH2-OD1 3.15Å; R45-D61 IonicContact NH2-OD2 3.79Å; R45-D61 PolarHBondContact NH2-OD2 2.9Å; R59-D61 IonicContact CZ-OD2 2.85Å; R59-D61 IonicContact NE-OD2 2.66Å; R59-D61 IonicContact NH2-OD2 3.7Å; R59-D61 PolarHBondContact NH2-OD2 2.7Å; D61-D63 PolarHBondContact O-N 3.37Å; D61-D63 PolarHBondContact OD1-N 3.42Å; D61-A64 HydrophobicContact CB-CB 4.43Å; D61-A64 WeakPolarHBondContact O-CB 3.36Å; D61-A64 PolarHBondContact O-N 2.91Å |
| 62 | S | 98.2 | Very high | 97.5 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24.3 | -178.3 | 66.8 | 0 | 0 | 0 | 0 | 113.5 | R45 F46 A64 | R45-S62 WeakPolarHBondContact CA-OG 3.49Å; F46-S62 PolarHBondContact N-OG 2.91Å; F46-S62 PolarHBondContact O-N 2.95Å; F46-S62 PolarHBondContact O-OG 3.03Å; S62-A64 VanDerWaalsContact C-N 3.33Å |
| 63 | D | 97.3 | Very high | 97.4 | Very high | 74 Ų | 74 | 48.3 Ų | 48.3 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -1.9 | -178.4 | -70.5 | 7.4 | 0 | 0 | 0 | 112.4 | R38 R45 D61 | R38-D63 IonicContact CZ-OD1 3.62Å; R38-D63 IonicContact CZ-OD2 3.46Å; R38-D63 IonicContact NH1-OD1 3.99Å; R38-D63 IonicContact NH1-OD2 2.89Å; R38-D63 PolarHBondContact NH1-OD2 3.08Å; R38-D63 IonicContact NH2-OD1 3.27Å; R38-D63 PolarHBondContact NH2-OD1 2.81Å; R38-D63 IonicContact NH2-OD2 3.15Å; R38-D63 PolarHBondContact NH2-OD2 2.85Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.5Å; R45-D63 IonicContact CZ-OD2 2.66Å; R45-D63 IonicContact NE-OD2 3.73Å; R45-D63 PolarHBondContact NE-OD2 3.31Å; D61-D63 PolarHBondContact O-N 3.37Å; D61-D63 PolarHBondContact OD1-N 3.42Å |
| 64 | A | 97.3 | Very high | 97.5 | Very high | 33 Ų | 33 | 51.9 Ų | 51.9 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -64.1 | 148.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | D61 S62 S66 P67 | D61-A64 HydrophobicContact CB-CB 4.43Å; D61-A64 WeakPolarHBondContact O-CB 3.36Å; D61-A64 PolarHBondContact O-N 2.91Å; S62-A64 VanDerWaalsContact C-N 3.33Å; A64-S66 PolarHBondContact O-N 3.28Å; A64-S66 VanDerWaalsContact O-N 3.13Å; A64-P67 VanDerWaalsContact O-CD 3.25Å; A64-P67 WeakPolarHBondContact O-CD 3.3Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.37Å |
| 65 | A | 96.9 | Very high | 97.5 | Very high | 119 Ų | 119 | 49.7 Ų | 49.7 | 98% | 0.983 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -61.8 | -23.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 66 | S | 96.2 | Very high | 97.5 | Very high | 81 Ų | 81 | 48.4 Ų | 48.4 | 57% | 0.566 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -141.5 | 89.2 | 169.9 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | A64 R68 | A64-S66 PolarHBondContact O-N 3.28Å; A64-S66 VanDerWaalsContact O-N 3.13Å; S66-R68 PolarHBondContact O-N 2.82Å; S66-R68 VanDerWaalsContact O-N 3.16Å |
| 67 | P | 97.1 | Very high | 97.4 | Very high | 39 Ų | 39 | 51.9 Ų | 51.9 | 25% | 0.253 | 29% | 0.287 | S | S | . | . | trans | -65.1 | 115.1 | -174.5 | -23.9 | 35.6 | 0 | 0 | 0 | 112.1 | F60 A64 K92 | F60-P67 HydrophobicContact CE1-CB 4.48Å; F60-P67 HydrophobicContact CE2-CB 3.83Å; F60-P67 HydrophobicContact CZ-CB 3.63Å; A64-P67 VanDerWaalsContact O-CD 3.25Å; A64-P67 WeakPolarHBondContact O-CD 3.3Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.37Å; P67-K92 WeakPolarHBondContact O-CE 3.32Å; P67-K92 PolarHBondContact O-NZ 2.93Å | ||
| 68 | R | 97.7 | Very high | 97.2 | Very high | 149 Ų | 149 | 58 Ų | 58 | 56% | 0.562 | 32% | 0.315 | S | S | * | . | trans | -149.3 | 162.6 | 177.6 | 62.6 | -177.1 | 173.4 | 175.4 | 0.1 | 110.3 | F60 S66 E70 T88 | F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.38Å; S66-R68 PolarHBondContact O-N 2.82Å; S66-R68 VanDerWaalsContact O-N 3.16Å; R68-E70 HydrophobicContact CG-CG 4.33Å; R68-E70 PolarHBondContact O-N 2.67Å; R68-T88 HydrophobicContact CB-CG2 4.06Å | ||
| 69 | G | 97.3 | Very high | 97.1 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 6% | 0.062 | 32% | 0.318 | C | S | . | . | trans | -65.4 | 129.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T88 | G69-T88 PolarHBondContact N-OG1 2.69Š| ||
| 70 | E | 97.8 | Very high | 97 | Very high | 54 Ų | 54 | 56.9 Ų | 56.9 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132 | -179.6 | -63 | -178.9 | 150.9 | 0 | 0 | 110 | V58 R59 R68 R72 | V58-E70 WeakPolarHBondContact CA-O 3.41Å; R59-E70 PolarHBondContact N-O 2.65Å; R59-E70 PolarHBondContact O-N 3.47Å; R68-E70 HydrophobicContact CG-CG 4.33Å; R68-E70 PolarHBondContact O-N 2.67Å; E70-R72 IonicContact OE2-CZ 3.85Å; E70-R72 IonicContact OE2-NH2 2.78Å; E70-R72 PolarHBondContact OE2-NH2 3.39Å |
| 71 | P | 98 | Very high | 96.9 | Very high | 49 Ų | 49 | 61.4 Ų | 61.4 | 32% | 0.318 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 147 | 172.8 | 27.7 | -34.2 | 0 | 0 | 0 | 111.1 | F57 V76 E77 W84 | F57-P71 CarbonylContact O-C 3.54Å; P71-V76 HydrophobicContact CB-CG1 3.89Å; P71-E77 HydrophobicContact CB-CG 3.69Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 3.88Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.34Å |
| 72 | R | 97.6 | Very high | 96.9 | Very high | 123 Ų | 123 | 68.5 Ų | 68.5 | 46% | 0.464 | 38% | 0.384 | S | S | . | . | trans | -130.3 | -3.9 | 175.9 | -60.5 | -66.2 | 167 | 175.4 | -3.8 | 113.6 | Q56 F57 R59 E70 | Q56-R72 HydrophobicContact CB-CB 4.43Å; Q56-R72 HydrophobicContact CG-CB 4.08Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.58Å; Q56-R72 WeakPolarHBondContact O-CB 3.49Å; F57-R72 PolarHBondContact O-N 2.89Å; R59-R72 HydrophobicContact CB-CG 3.94Å; E70-R72 IonicContact OE2-CZ 3.85Å; E70-R72 IonicContact OE2-NH2 2.78Å; E70-R72 PolarHBondContact OE2-NH2 3.39Å | ||
| 73 | A | 96.2 | Very high | 96.9 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.033 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -135.4 | 143.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | T55 F57 W75 V76 | T55-A73 HydrophobicContact CG2-CB 4.26Å; F57-A73 HydrophobicContact CB-CB 4.18Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.02Å; A73-W75 PolarHBondContact O-N 2.83Å; A73-V76 WeakPolarHBondContact O-CG1 3.48Å; A73-V76 PolarHBondContact O-N 2.77Å |
| 74 | P | 96.2 | Very high | 96.9 | Very high | 103 Ų | 103 | 66.1 Ų | 66.1 | 67% | 0.669 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -58.9 | -35.2 | -176.4 | -26.4 | 35.1 | 0 | 0 | 0 | 114.2 | V76 E77 | P74-V76 PolarHBondContact O-N 3.46Å; P74-E77 WeakPolarHBondContact O-CB 3.33Å; P74-E77 PolarHBondContact O-N 2.9Å; P74-E77 VanDerWaalsContact O-N 3.08Å |
| 75 | W | 96.1 | Very high | 96.9 | Very high | 16 Ų | 16 | 69.9 Ų | 69.9 | 6% | 0.061 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.3 | -11 | -176.3 | 54.2 | -108 | 0 | 0 | 0 | 114.9 | V52 T55 F57 A73 Q78 Y195 N198 G199 L203 | V52-W75 HydrophobicContact CB-CH2 4.25Å; V52-W75 HydrophobicContact CB-CZ2 4.35Å; V52-W75 HydrophobicContact CG2-CH2 3.82Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; T55-W75 HydrophobicContact CG2-CZ2 4.37Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.48Å; F57-W75 VanDerWaalsContact CB-CZ2 3.48Å; F57-W75 HydrophobicContact CB-CZ3 3.87Å; F57-W75 AromaticContact CD1-CH2 3.93Å; F57-W75 HydrophobicContact CD1-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CH2 4.15Å; F57-W75 HydrophobicContact CD2-CZ3 4.34Å; F57-W75 AromaticContact CG-CH2 3.51Å; F57-W75 HydrophobicContact CG-CH2 3.51Å; F57-W75 HydrophobicContact CG-CZ2 4.27Å; F57-W75 HydrophobicContact CG-CZ3 4.13Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.02Å; A73-W75 PolarHBondContact O-N 2.83Å; W75-Q78 WeakPolarHBondContact O-CG 3.41Å; W75-Y195 HydrophobicContact CE3-CD1 4.3Å; W75-Y195 HydrophobicContact CE3-CG 4.47Å; W75-Y195 HydrophobicContact CH2-CD2 4.43Å; W75-Y195 HydrophobicContact CH2-CG 4.09Å; W75-Y195 AromaticContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD2 4.23Å; W75-Y195 HydrophobicContact CZ3-CE1 4.36Å; W75-Y195 AromaticContact CZ3-CG 3.55Å; W75-Y195 HydrophobicContact CZ3-CG 3.55Å; W75-N198 HydrophobicContact CB-CB 4.43Å; W75-G199 VanDerWaalsContact CB-CA 3.46Å; W75-G199 VanDerWaalsContact CG-CA 3.45Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.8Å; W75-L203 HydrophobicContact CZ2-CD2 4.06Å; W75-L203 HydrophobicContact CZ2-CG 4.35Å |
| 76 | V | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -97.6 | -16.3 | 170.5 | 75.2 | 0 | 0 | 0 | 0 | 112.4 | F57 P71 A73 P74 Q78 E79 Y83 W84 Y195 | F57-V76 HydrophobicContact CB-CG1 4.33Å; F57-V76 HydrophobicContact CD2-CG1 4.48Å; F57-V76 HydrophobicContact CD2-CG2 4.23Å; F57-V76 VanDerWaalsContact O-CG1 3.29Å; F57-V76 WeakPolarHBondContact O-CG1 3.46Å; P71-V76 HydrophobicContact CB-CG1 3.89Å; A73-V76 WeakPolarHBondContact O-CG1 3.48Å; A73-V76 PolarHBondContact O-N 2.77Å; P74-V76 PolarHBondContact O-N 3.46Å; V76-Q78 PolarHBondContact O-N 2.93Å; V76-Q78 VanDerWaalsContact O-N 3.17Å; V76-E79 HydrophobicContact CG2-CB 4.5Å; V76-E79 HydrophobicContact CG2-CG 3.82Å; V76-E79 WeakPolarHBondContact O-CB 3.29Å; V76-E79 WeakPolarHBondContact O-CG 3.46Å; V76-E79 PolarHBondContact O-N 3.42Å; V76-Y83 HydrophobicContact CG2-CE1 4.01Å; V76-W84 HydrophobicContact CG1-CH2 3.96Å; V76-W84 HydrophobicContact CG1-CZ2 4.18Å; V76-W84 HydrophobicContact CG2-CH2 4.05Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.17Å; V76-Y195 HydrophobicContact CG2-CE1 4.33Å |
| 77 | E | 95.7 | Very high | 97 | Very high | 125 Ų | 125 | 66.7 Ų | 66.7 | 58% | 0.584 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.4 | -24.8 | 178.6 | -64.1 | -176.1 | -176 | 0 | 0 | 113 | P71 P74 E79 | P71-E77 HydrophobicContact CB-CG 3.69Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P74-E77 WeakPolarHBondContact O-CB 3.33Å; P74-E77 PolarHBondContact O-N 2.9Å; P74-E77 VanDerWaalsContact O-N 3.08Å; E77-E79 PolarHBondContact O-N 3.01Å |
| 78 | Q | 94.6 | Very high | 97.1 | Very high | 127 Ų | 127 | 65.5 Ų | 65.5 | 59% | 0.593 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -9 | 174.1 | 67.3 | 177.8 | 15 | 0 | 0 | 114.5 | W75 V76 N198 | W75-Q78 WeakPolarHBondContact O-CG 3.41Å; V76-Q78 PolarHBondContact O-N 2.93Å; V76-Q78 VanDerWaalsContact O-N 3.17Å; Q78-N198 PolarHBondContact NE2-ND2 3.09Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.17Å; Q78-N198 PolarHBondContact NE2-OD1 3.49Å |
| 79 | E | 96.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 63.9 Ų | 63.9 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -68.7 | 136.3 | 175.1 | -66.3 | -62.6 | 164.5 | 0 | 0 | 111.1 | V76 E77 Y83 W84 R194 N198 | V76-E79 HydrophobicContact CG2-CB 4.5Å; V76-E79 HydrophobicContact CG2-CG 3.82Å; V76-E79 WeakPolarHBondContact O-CB 3.29Å; V76-E79 WeakPolarHBondContact O-CG 3.46Å; V76-E79 PolarHBondContact O-N 3.42Å; E77-E79 PolarHBondContact O-N 3.01Å; E79-Y83 HydrophobicContact CB-CD1 3.58Å; E79-Y83 HydrophobicContact CB-CD2 4.33Å; E79-Y83 HydrophobicContact CB-CE1 4.1Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.16Å; E79-Y83 HydrophobicContact CG-CD2 4.31Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CE2 4.4Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; E79-W84 VanDerWaalsContact O-CD1 3.29Å; E79-W84 PolarHBondContact O-NE1 2.9Å; E79-R194 VanDerWaalsContact CD-NH2 3.34Å; E79-R194 IonicContact OE1-CZ 3.71Å; E79-R194 IonicContact OE1-NE 3.46Å; E79-R194 PolarHBondContact OE1-NE 3.26Å; E79-R194 IonicContact OE1-NH2 3.32Å; E79-R194 PolarHBondContact OE1-NH2 3.2Å; E79-R194 VanDerWaalsContact OE1-NH2 3.17Å; E79-R194 IonicContact OE2-CZ 2.75Å; E79-R194 IonicContact OE2-NE 3.84Å; E79-R194 PolarHBondContact OE2-NE 2.82Å; E79-R194 IonicContact OE2-NH2 3.4Å; E79-R194 PolarHBondContact OE2-NH2 3.46Å; E79-N198 PolarHBondContact OE1-ND2 2.86Å; E79-N198 VanDerWaalsContact OE1-ND2 3.1Å |
| 80 | G | 96.1 | Very high | 97.1 | Very high | 33 Ų | 33 | 66.9 Ų | 66.9 | 34% | 0.34 | 34% | 0.337 | S | S | . | . | trans | -68.4 | 167.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E82 Y83 W84 | G80-E82 PolarHBondContact O-N 3.06Å; G80-Y83 WeakPolarHBondContact O-CB 3.45Å; G80-Y83 PolarHBondContact O-N 3.39Å; G80-W84 PolarHBondContact O-N 3.09Å | ||
| 81 | P | 97 | Very high | 97.1 | Very high | 98 Ų | 98 | 64.4 Ų | 64.4 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -56.8 | -36.3 | -178.5 | 23.1 | -33.7 | 0 | 0 | 0 | 112.8 | Y83 W84 D85 | P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.23Å; P81-W84 PolarHBondContact O-N 3.09Å; P81-D85 WeakPolarHBondContact O-CB 3.33Å; P81-D85 PolarHBondContact O-N 2.97Å |
| 82 | E | 97.5 | Very high | 97.1 | Very high | 167 Ų | 167 | 66.2 Ų | 66.2 | 78% | 0.78 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.4 | -36.3 | 176.7 | -62.2 | 167.8 | 176.5 | 0 | 0 | 113 | G80 R86 | G80-E82 PolarHBondContact O-N 3.06Å; E82-R86 WeakPolarHBondContact O-CB 3.25Å; E82-R86 PolarHBondContact O-N 2.91Å; E82-R86 VanDerWaalsContact O-N 3.1Å |
| 83 | Y | 97.4 | Very high | 97.1 | Very high | 10 Ų | 10 | 63.6 Ų | 63.6 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.7 | -47.3 | 174 | 169.3 | -86.5 | 0 | 0 | 0 | 110.8 | V76 E79 G80 P81 R86 N87 W191 Y195 | V76-Y83 HydrophobicContact CG2-CE1 4.01Å; E79-Y83 HydrophobicContact CB-CD1 3.58Å; E79-Y83 HydrophobicContact CB-CD2 4.33Å; E79-Y83 HydrophobicContact CB-CE1 4.1Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.16Å; E79-Y83 HydrophobicContact CG-CD2 4.31Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CE2 4.4Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; G80-Y83 WeakPolarHBondContact O-CB 3.45Å; G80-Y83 PolarHBondContact O-N 3.39Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.23Å; Y83-R86 PolarHBondContact O-N 2.98Å; Y83-N87 VanDerWaalsContact CD2-ND2 3.33Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.13Å; Y83-N87 WeakPolarHBondContact CE1-ND2 2.95Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.49Å; Y83-N87 VanDerWaalsContact CZ-ND2 3.27Å; Y83-N87 WeakPolarHBondContact O-CB 3.18Å; Y83-N87 PolarHBondContact O-N 2.89Å; Y83-N87 PolarHBondContact O-ND2 2.82Å; Y83-W191 HydrophobicContact CD2-CE3 4.48Å; Y83-W191 AromaticContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CZ2 4.33Å; Y83-W191 AromaticContact CD2-CZ3 3.63Å; Y83-W191 HydrophobicContact CD2-CZ3 3.63Å; Y83-W191 HydrophobicContact CE2-CE3 4Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 AromaticContact CE2-CZ3 3.55Å; Y83-W191 HydrophobicContact CE2-CZ3 3.55Å; Y83-Y195 HydrophobicContact CE2-CE1 4.41Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.39Å; Y83-Y195 PolarHBondContact OH-OH 2.72Å |
| 84 | W | 98.1 | Very high | 97.2 | Very high | 39 Ų | 39 | 64.6 Ų | 64.6 | 15% | 0.148 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68 | -39.4 | -177.6 | -68.3 | 110 | 0 | 0 | 0 | 112.7 | V58 P71 V76 E79 G80 P81 T88 | V58-W84 HydrophobicContact CG2-CZ3 4.21Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 3.88Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.34Å; V76-W84 HydrophobicContact CG1-CH2 3.96Å; V76-W84 HydrophobicContact CG1-CZ2 4.18Å; V76-W84 HydrophobicContact CG2-CH2 4.05Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.17Å; E79-W84 VanDerWaalsContact O-CD1 3.29Å; E79-W84 PolarHBondContact O-NE1 2.9Å; G80-W84 PolarHBondContact O-N 3.09Å; P81-W84 PolarHBondContact O-N 3.09Å; W84-T88 WeakPolarHBondContact O-CB 3.25Å; W84-T88 PolarHBondContact O-N 2.8Å; W84-T88 PolarHBondContact O-OG1 2.9Å |
| 85 | D | 97.9 | Very high | 97.2 | Very high | 112 Ų | 112 | 60.4 Ų | 60.4 | 60% | 0.599 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.8 | -46.2 | 175.3 | -73.4 | -25.1 | 0 | 0 | 0 | 111 | P81 T88 Q89 | P81-D85 WeakPolarHBondContact O-CB 3.33Å; P81-D85 PolarHBondContact O-N 2.97Å; D85-T88 PolarHBondContact O-N 2.93Å; D85-Q89 WeakPolarHBondContact O-CB 3.18Å; D85-Q89 PolarHBondContact O-N 2.88Å |
| 86 | R | 97.4 | Very high | 97.3 | Very high | 120 Ų | 120 | 63.8 Ų | 63.8 | 45% | 0.453 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.8 | -50.3 | 177 | -173.8 | -172.8 | 69.4 | -168.7 | -1 | 111.9 | E82 Y83 Q89 I90 | E82-R86 WeakPolarHBondContact O-CB 3.25Å; E82-R86 PolarHBondContact O-N 2.91Å; E82-R86 VanDerWaalsContact O-N 3.1Å; Y83-R86 PolarHBondContact O-N 2.98Å; R86-Q89 PolarHBondContact O-N 2.83Å; R86-I90 HydrophobicContact CG-CD1 4.22Å; R86-I90 WeakPolarHBondContact O-CG1 3.46Å; R86-I90 PolarHBondContact O-N 2.96Å |
| 87 | N | 97.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 67.1 Ų | 67.1 | 7% | 0.07 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 178.4 | -76.8 | -72.4 | 0 | 0 | 0 | 111.6 | Y83 Q89 I90 F91 | Y83-N87 VanDerWaalsContact CD2-ND2 3.33Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.13Å; Y83-N87 WeakPolarHBondContact CE1-ND2 2.95Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.49Å; Y83-N87 VanDerWaalsContact CZ-ND2 3.27Å; Y83-N87 WeakPolarHBondContact O-CB 3.18Å; Y83-N87 PolarHBondContact O-N 2.89Å; Y83-N87 PolarHBondContact O-ND2 2.82Å; N87-Q89 VanDerWaalsContact C-N 3.29Å; N87-Q89 PolarHBondContact O-N 2.96Å; N87-I90 PolarHBondContact O-N 2.82Å; N87-F91 HydrophobicContact CB-CE2 4.07Å; N87-F91 WeakPolarHBondContact O-CD2 3.21Å; N87-F91 WeakPolarHBondContact O-CG 3.33Å; N87-F91 PolarHBondContact O-N 2.87Å |
| 88 | T | 98.3 | Very high | 97.3 | Very high | 14 Ų | 14 | 61.8 Ų | 61.8 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58 | -41.8 | 173.5 | -67.1 | 0 | 0 | 0 | 0 | 112 | R68 G69 W84 D85 F91 K92 | R68-T88 HydrophobicContact CB-CG2 4.06Å; G69-T88 PolarHBondContact N-OG1 2.69Å; W84-T88 WeakPolarHBondContact O-CB 3.25Å; W84-T88 PolarHBondContact O-N 2.8Å; W84-T88 PolarHBondContact O-OG1 2.9Å; D85-T88 PolarHBondContact O-N 2.93Å; T88-F91 PolarHBondContact O-N 2.87Å; T88-K92 HydrophobicContact CG2-CD 4Å; T88-K92 WeakPolarHBondContact O-CB 3.45Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 3.14Å |
| 89 | Q | 98.3 | Very high | 97.4 | Very high | 115 Ų | 115 | 58.1 Ų | 58.1 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.9 | -36.4 | 178 | -172.3 | 56.2 | 29.2 | 0 | 0 | 112.3 | D85 R86 N87 T93 | D85-Q89 WeakPolarHBondContact O-CB 3.18Å; D85-Q89 PolarHBondContact O-N 2.88Å; R86-Q89 PolarHBondContact O-N 2.83Å; N87-Q89 VanDerWaalsContact C-N 3.29Å; N87-Q89 PolarHBondContact O-N 2.96Å; Q89-T93 WeakPolarHBondContact O-CB 3.42Å; Q89-T93 PolarHBondContact O-N 3.02Å; Q89-T93 PolarHBondContact O-OG1 3.14Å |
| 90 | I | 97.4 | Very high | 97.5 | Very high | 70 Ų | 70 | 63.1 Ų | 63.1 | 36% | 0.359 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -53.5 | 170.8 | -68.1 | 164.6 | 0 | 0 | 0 | 110.2 | R86 N87 K92 T93 N94 | R86-I90 HydrophobicContact CG-CD1 4.22Å; R86-I90 WeakPolarHBondContact O-CG1 3.46Å; R86-I90 PolarHBondContact O-N 2.96Å; N87-I90 PolarHBondContact O-N 2.82Å; I90-K92 VanDerWaalsContact C-N 3.32Å; I90-K92 PolarHBondContact O-N 2.83Å; I90-T93 CarbonylContact O-C 3.57Å; I90-T93 WeakPolarHBondContact O-CA 3.01Å; I90-T93 WeakPolarHBondContact O-CB 3.32Å; I90-T93 PolarHBondContact O-N 2.84Å; I90-N94 PolarHBondContact O-N 3.45Å; I90-N94 PolarHBondContact O-OD1 2.03Å |
| 91 | F | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.009 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61 | -37.4 | -179.9 | -60.8 | -47.9 | 0 | 0 | 0 | 113.4 | F46 S48 V58 F60 N87 T88 T93 T95 | F46-F91 HydrophobicContact CE1-CB 4.4Å; S48-F91 VanDerWaalsContact OG-CE1 3.25Å; S48-F91 WeakPolarHBondContact OG-CE1 3.45Å; V58-F91 HydrophobicContact CG2-CE2 4.01Å; V58-F91 HydrophobicContact CG2-CZ 4.06Å; F60-F91 HydrophobicContact CB-CB 3.97Å; F60-F91 HydrophobicContact CB-CD1 4.23Å; F60-F91 HydrophobicContact CB-CD2 3.63Å; F60-F91 HydrophobicContact CB-CE2 4.12Å; F60-F91 HydrophobicContact CB-CG 3.69Å; F60-F91 HydrophobicContact CD1-CB 3.82Å; F60-F91 HydrophobicContact CD1-CG 4.46Å; F60-F91 HydrophobicContact CD2-CB 3.39Å; F60-F91 AromaticContact CD2-CD2 3.72Å; F60-F91 HydrophobicContact CD2-CD2 3.72Å; F60-F91 AromaticContact CD2-CG 3.87Å; F60-F91 HydrophobicContact CD2-CG 3.87Å; F60-F91 HydrophobicContact CE1-CB 4.11Å; F60-F91 HydrophobicContact CE2-CB 3.72Å; F60-F91 HydrophobicContact CG-CB 3.45Å; F60-F91 VanDerWaalsContact CG-CB 3.45Å; F60-F91 AromaticContact CG-CD2 3.9Å; F60-F91 HydrophobicContact CG-CD2 3.9Å; F60-F91 AromaticContact CG-CG 3.77Å; F60-F91 HydrophobicContact CG-CG 3.77Å; F60-F91 HydrophobicContact CZ-CB 4.06Å; N87-F91 HydrophobicContact CB-CE2 4.07Å; N87-F91 WeakPolarHBondContact O-CD2 3.21Å; N87-F91 WeakPolarHBondContact O-CG 3.33Å; N87-F91 PolarHBondContact O-N 2.87Å; T88-F91 PolarHBondContact O-N 2.87Å; F91-T93 VanDerWaalsContact C-N 3.3Å; F91-T93 PolarHBondContact O-N 3.27Å; F91-T95 PolarHBondContact O-N 2.8Å; F91-T95 PolarHBondContact O-OG1 2.9Å |
| 92 | K | 97.9 | Very high | 97.6 | Very high | 86 Ų | 86 | 59.1 Ų | 59.1 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.1 | -33.7 | 173 | -76.8 | 173.6 | -179.5 | 171.8 | 0 | 112.8 | F60 P67 T88 I90 T95 | F60-K92 HydrophobicContact CE2-CG 4.28Å; F60-K92 HydrophobicContact CZ-CG 4.13Å; P67-K92 WeakPolarHBondContact O-CE 3.32Å; P67-K92 PolarHBondContact O-NZ 2.93Å; T88-K92 HydrophobicContact CG2-CD 4Å; T88-K92 WeakPolarHBondContact O-CB 3.45Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 3.14Å; I90-K92 VanDerWaalsContact C-N 3.32Å; I90-K92 PolarHBondContact O-N 2.83Å; K92-T95 WeakPolarHBondContact O-CB 3.45Å |
| 93 | T | 97.9 | Very high | 97.5 | Very high | 68 Ų | 68 | 57.4 Ų | 57.4 | 42% | 0.417 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.9 | -49.4 | 176.3 | -55 | 0 | 0 | 0 | 0 | 109.9 | Q89 I90 F91 T95 Q96 T97 | Q89-T93 WeakPolarHBondContact O-CB 3.42Å; Q89-T93 PolarHBondContact O-N 3.02Å; Q89-T93 PolarHBondContact O-OG1 3.14Å; I90-T93 CarbonylContact O-C 3.57Å; I90-T93 WeakPolarHBondContact O-CA 3.01Å; I90-T93 WeakPolarHBondContact O-CB 3.32Å; I90-T93 PolarHBondContact O-N 2.84Å; F91-T93 VanDerWaalsContact C-N 3.3Å; F91-T93 PolarHBondContact O-N 3.27Å; T93-T95 VanDerWaalsContact C-N 3.27Å; T93-T95 PolarHBondContact O-N 2.82Å; T93-Q96 PolarHBondContact O-N 2.96Å; T93-T97 PolarHBondContact O-N 2.95Å; T93-T97 PolarHBondContact O-OG1 3.35Å |
| 94 | N | 97.1 | Very high | 97.5 | Very high | 25 Ų | 25 | 60.9 Ų | 60.9 | 13% | 0.134 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53.6 | -43.7 | 172 | -69.9 | 19.5 | 0 | 0 | 0 | 111 | D33 F46 I90 Q96 T97 Y98 | D33-N94 PolarHBondContact OD2-ND2 2.82Å; F46-N94 HydrophobicContact CE1-CB 4.14Å; F46-N94 HydrophobicContact CE2-CB 3.97Å; F46-N94 HydrophobicContact CZ-CB 3.55Å; I90-N94 PolarHBondContact O-N 3.45Å; I90-N94 PolarHBondContact O-OD1 2.03Å; N94-Q96 PolarHBondContact O-N 3.02Å; N94-Q96 VanDerWaalsContact O-N 3.1Å; N94-T97 PolarHBondContact O-N 3.25Å; N94-Y98 HydrophobicContact CB-CD2 4.22Å; N94-Y98 HydrophobicContact CB-CE2 4.29Å; N94-Y98 WeakPolarHBondContact O-CB 3.19Å; N94-Y98 VanDerWaalsContact O-CD2 3.22Å; N94-Y98 WeakPolarHBondContact O-CD2 3.47Å; N94-Y98 PolarHBondContact O-N 2.83Å |
| 95 | T | 97.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -52.9 | -35.7 | 175.8 | -56.6 | 0 | 0 | 0 | 0 | 113 | F46 F91 K92 T93 R99 | F46-T95 HydrophobicContact CB-CG2 3.99Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.2Å; F91-T95 PolarHBondContact O-N 2.8Å; F91-T95 PolarHBondContact O-OG1 2.9Å; K92-T95 WeakPolarHBondContact O-CB 3.45Å; T93-T95 VanDerWaalsContact C-N 3.27Å; T93-T95 PolarHBondContact O-N 2.82Å; T95-R99 PolarHBondContact O-N 2.84Å |
| 96 | Q | 97.3 | Very high | 97.4 | Very high | 87 Ų | 87 | 57.1 Ų | 57.1 | 41% | 0.407 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -77.9 | -47 | 174.5 | -53.5 | -44.4 | -72.6 | 0 | 0 | 111.6 | T93 N94 Y98 R99 E100 | T93-Q96 PolarHBondContact O-N 2.96Å; N94-Q96 PolarHBondContact O-N 3.02Å; N94-Q96 VanDerWaalsContact O-N 3.1Å; Q96-Y98 VanDerWaalsContact C-N 3.29Å; Q96-Y98 PolarHBondContact O-N 2.9Å; Q96-R99 WeakPolarHBondContact O-CB 3.42Å; Q96-R99 PolarHBondContact O-N 3.12Å; Q96-R99 VanDerWaalsContact O-N 3.09Å; Q96-E100 PolarHBondContact O-N 3.38Å; Q96-E100 VanDerWaalsContact O-N 3.08Å |
| 97 | T | 96.8 | Very high | 97.3 | Very high | 71 Ų | 71 | 53.5 Ų | 53.5 | 44% | 0.436 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -53.7 | -45 | 177.8 | -52 | 0 | 0 | 0 | 0 | 111.8 | T93 N94 E100 S101 | T93-T97 PolarHBondContact O-N 2.95Å; T93-T97 PolarHBondContact O-OG1 3.35Å; N94-T97 PolarHBondContact O-N 3.25Å; T97-E100 PolarHBondContact O-N 3.24Å; T97-S101 WeakPolarHBondContact O-CB 3.45Å; T97-S101 PolarHBondContact O-N 3.39Å; T97-S101 PolarHBondContact O-OG 2.99Å |
| 98 | Y | 97.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 178.6 | -87 | -103.3 | 0 | 0 | 0 | 113.2 | D33 A35 F46 N94 Q96 E100 S101 L102 L119 W121 | D33-Y98 HydrophobicContact CB-CE1 4.26Å; D33-Y98 HydrophobicContact CB-CE2 4.23Å; D33-Y98 WeakPolarHBondContact CB-OH 3.48Å; A35-Y98 HydrophobicContact CB-CD1 3.44Å; A35-Y98 VanDerWaalsContact CB-CD1 3.44Å; A35-Y98 HydrophobicContact CB-CE1 4.42Å; A35-Y98 HydrophobicContact CB-CG 3.95Å; F46-Y98 HydrophobicContact CD2-CD1 4.3Å; F46-Y98 HydrophobicContact CD2-CD2 4.03Å; F46-Y98 HydrophobicContact CD2-CE2 4.5Å; F46-Y98 AromaticContact CD2-CG 3.9Å; F46-Y98 HydrophobicContact CD2-CG 3.9Å; F46-Y98 HydrophobicContact CE2-CD1 4.35Å; F46-Y98 AromaticContact CE2-CD2 3.65Å; F46-Y98 HydrophobicContact CE2-CD2 3.65Å; F46-Y98 HydrophobicContact CE2-CE1 4.41Å; F46-Y98 AromaticContact CE2-CE2 3.74Å; F46-Y98 HydrophobicContact CE2-CE2 3.74Å; F46-Y98 AromaticContact CE2-CG 3.96Å; F46-Y98 HydrophobicContact CE2-CG 3.96Å; N94-Y98 HydrophobicContact CB-CD2 4.22Å; N94-Y98 HydrophobicContact CB-CE2 4.29Å; N94-Y98 WeakPolarHBondContact O-CB 3.19Å; N94-Y98 VanDerWaalsContact O-CD2 3.22Å; N94-Y98 WeakPolarHBondContact O-CD2 3.47Å; N94-Y98 PolarHBondContact O-N 2.83Å; Q96-Y98 VanDerWaalsContact C-N 3.29Å; Q96-Y98 PolarHBondContact O-N 2.9Å; Y98-E100 VanDerWaalsContact C-N 3.31Å; Y98-E100 PolarHBondContact O-N 2.79Å; Y98-S101 PolarHBondContact O-N 3.14Å; Y98-L102 WeakPolarHBondContact O-CB 3.42Å; Y98-L102 VanDerWaalsContact O-CG 3.28Å; Y98-L102 WeakPolarHBondContact O-CG 3.4Å; Y98-L102 PolarHBondContact O-N 2.96Å; Y98-L119 HydrophobicContact CD1-CB 4.26Å; Y98-L119 HydrophobicContact CD1-CD2 3.67Å; Y98-L119 HydrophobicContact CD1-CG 3.87Å; Y98-L119 HydrophobicContact CE1-CB 4.47Å; Y98-L119 HydrophobicContact CE1-CD2 3.95Å; Y98-L119 HydrophobicContact CE1-CG 3.8Å; Y98-L119 HydrophobicContact CG-CD2 4.44Å; Y98-W121 HydrophobicContact CE2-CE3 4.18Å; Y98-W121 HydrophobicContact CE2-CZ3 4.45Å; Y98-W121 WeakPolarHBondContact OH-CB 3.46Å |
| 99 | R | 96.8 | Very high | 97.3 | Very high | 50 Ų | 50 | 58 Ų | 58 | 19% | 0.189 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 174.1 | 178.5 | -168.7 | -65.1 | 160.1 | 2.2 | 111 | E43 P44 T95 Q96 R103 | E43-R99 VanDerWaalsContact CD-NE 3.25Å; E43-R99 IonicContact OE1-CZ 2.91Å; E43-R99 IonicContact OE1-NE 2.75Å; E43-R99 WeakPolarHBondContact OE2-CD 3.33Å; E43-R99 IonicContact OE2-CZ 3.8Å; E43-R99 IonicContact OE2-NE 3.71Å; E43-R99 PolarHBondContact OE2-NE 3.4Å; P44-R99 HydrophobicContact CG-CB 4.46Å; P44-R99 HydrophobicContact CG-CG 4.26Å; T95-R99 PolarHBondContact O-N 2.84Å; Q96-R99 WeakPolarHBondContact O-CB 3.42Å; Q96-R99 PolarHBondContact O-N 3.12Å; Q96-R99 VanDerWaalsContact O-N 3.09Å; R99-R103 WeakPolarHBondContact O-CG 3.29Å; R99-R103 PolarHBondContact O-N 2.93Å |
| 100 | E | 96.9 | Very high | 97.3 | Very high | 119 Ų | 119 | 59.8 Ų | 59.8 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -70.8 | -44.3 | 176.2 | -66.8 | -176.1 | -176.9 | 0 | 0 | 111.8 | Q96 T97 Y98 L102 R103 N104 | Q96-E100 PolarHBondContact O-N 3.38Å; Q96-E100 VanDerWaalsContact O-N 3.08Å; T97-E100 PolarHBondContact O-N 3.24Å; Y98-E100 VanDerWaalsContact C-N 3.31Å; Y98-E100 PolarHBondContact O-N 2.79Å; E100-L102 PolarHBondContact O-N 3.1Å; E100-R103 WeakPolarHBondContact O-CB 3.42Å; E100-R103 PolarHBondContact O-N 2.98Å; E100-R103 VanDerWaalsContact O-N 3.13Å; E100-N104 PolarHBondContact O-N 2.89Å; E100-N104 PolarHBondContact O-ND2 2.93Å |
| 101 | S | 97.5 | Very high | 97.3 | Very high | 39 Ų | 39 | 59.3 Ų | 59.3 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 175.1 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | T97 Y98 R103 N104 L105 L119 | T97-S101 WeakPolarHBondContact O-CB 3.45Å; T97-S101 PolarHBondContact O-N 3.39Å; T97-S101 PolarHBondContact O-OG 2.99Å; Y98-S101 PolarHBondContact O-N 3.14Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.03Å; S101-N104 PolarHBondContact O-N 2.55Å; S101-L105 WeakPolarHBondContact O-CB 3.39Å; S101-L105 WeakPolarHBondContact O-CG 3.35Å; S101-L105 PolarHBondContact O-N 3.43Å; S101-L119 VanDerWaalsContact CB-CD2 3.5Å |
| 102 | L | 97.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 62.9 Ų | 62.9 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.4 | -38.6 | 174.9 | -77.2 | 168.8 | 0 | 0 | 0 | 112.5 | A35 P44 Y98 E100 R106 H117 L119 Y142 | A35-L102 HydrophobicContact CB-CD1 3.82Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.9Å; Y98-L102 WeakPolarHBondContact O-CB 3.42Å; Y98-L102 VanDerWaalsContact O-CG 3.28Å; Y98-L102 WeakPolarHBondContact O-CG 3.4Å; Y98-L102 PolarHBondContact O-N 2.96Å; E100-L102 PolarHBondContact O-N 3.1Å; L102-R106 WeakPolarHBondContact O-CB 3.34Å; L102-R106 PolarHBondContact O-N 2.63Å; L102-H117 HydrophobicContact CD2-CB 4.35Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.16Å; L102-Y142 HydrophobicContact CD2-CE2 4.02Å |
| 103 | R | 96 | Very high | 96.7 | Very high | 131 Ų | 131 | 65 Ų | 65 | 49% | 0.494 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 175.2 | -68.9 | 170.3 | -175.5 | 173.9 | 1.7 | 111.7 | E43 R99 E100 S101 G107 | E43-R103 IonicContact OE1-NH2 2.93Å; E43-R103 IonicContact OE2-NH2 2.77Å; R99-R103 WeakPolarHBondContact O-CG 3.29Å; R99-R103 PolarHBondContact O-N 2.93Å; E100-R103 WeakPolarHBondContact O-CB 3.42Å; E100-R103 PolarHBondContact O-N 2.98Å; E100-R103 VanDerWaalsContact O-N 3.13Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 3.03Å; R103-G107 PolarHBondContact O-N 2.92Å |
| 104 | N | 96.7 | Very high | 96.4 | Very high | 83 Ų | 83 | 68.7 Ų | 68.7 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.8 | -47.5 | 178.4 | -71.1 | -34.7 | 0 | 0 | 0 | 112 | E100 S101 G107 Y108 | E100-N104 PolarHBondContact O-N 2.89Å; E100-N104 PolarHBondContact O-ND2 2.93Å; S101-N104 PolarHBondContact O-N 2.55Å; N104-G107 CarbonylContact O-C 3.6Å; N104-G107 WeakPolarHBondContact O-CA 3.42Å; N104-G107 PolarHBondContact O-N 3.31Å; N104-G107 VanDerWaalsContact O-N 3.11Å; N104-Y108 WeakPolarHBondContact O-CD1 3.5Å; N104-Y108 PolarHBondContact O-N 3.27Å |
| 105 | L | 97.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 68.2 Ų | 68.2 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 179.3 | -70 | 165.2 | 0 | 0 | 0 | 111.2 | S101 G107 Y108 Y109 L119 Y142 Y147 | S101-L105 WeakPolarHBondContact O-CB 3.39Å; S101-L105 WeakPolarHBondContact O-CG 3.35Å; S101-L105 PolarHBondContact O-N 3.43Å; L105-G107 PolarHBondContact O-N 3.35Å; L105-G107 VanDerWaalsContact O-N 3.16Å; L105-Y108 HydrophobicContact CD2-CD2 4.48Å; L105-Y108 PolarHBondContact O-N 2.81Å; L105-Y109 HydrophobicContact CD2-CE2 4.3Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 3Å; L105-L119 HydrophobicContact CD1-CD1 3.78Å; L105-L119 HydrophobicContact CD1-CD2 3.9Å; L105-L119 HydrophobicContact CD1-CG 4.28Å; L105-Y142 HydrophobicContact CB-CD1 4.35Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 3.97Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.63Å; L105-Y142 HydrophobicContact CD1-CE2 3.93Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 4.07Å; L105-Y147 HydrophobicContact CD2-CE1 3.78Å; L105-Y147 HydrophobicContact CD2-CE2 3.44Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.44Å; L105-Y147 HydrophobicContact CD2-CG 4.48Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.33Å |
| 106 | R | 96.7 | Very high | 96.2 | Very high | 64 Ų | 64 | 71.3 Ų | 71.3 | 24% | 0.242 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -52.6 | -38.5 | 173.8 | -170.8 | -170.3 | 65.3 | 168.9 | 10 | 112.1 | L102 N110 Q111 E113 | L102-R106 WeakPolarHBondContact O-CB 3.34Å; L102-R106 PolarHBondContact O-N 2.63Å; R106-N110 PolarHBondContact O-N 3.37Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.79Å; R106-Q111 PolarHBondContact O-N 3.24Å; R106-E113 IonicContact CZ-OE1 2.83Å; R106-E113 IonicContact NH1-OE1 3.26Å; R106-E113 PolarHBondContact NH1-OE1 2.83Å; R106-E113 IonicContact NH2-OE1 3.74Å; R106-E113 PolarHBondContact NH2-OE1 3.48Å |
| 107 | G | 96.6 | Very high | 96.2 | Very high | 44 Ų | 44 | 67.9 Ų | 67.9 | 45% | 0.454 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.6 | -46.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R103 N104 L105 Y109 N110 | R103-G107 PolarHBondContact O-N 2.92Å; N104-G107 CarbonylContact O-C 3.6Å; N104-G107 WeakPolarHBondContact O-CA 3.42Å; N104-G107 PolarHBondContact O-N 3.31Å; N104-G107 VanDerWaalsContact O-N 3.11Å; L105-G107 PolarHBondContact O-N 3.35Å; L105-G107 VanDerWaalsContact O-N 3.16Å; G107-Y109 VanDerWaalsContact C-N 3.29Å; G107-Y109 PolarHBondContact O-N 3.31Å; G107-N110 PolarHBondContact O-N 3.13Å; G107-N110 VanDerWaalsContact O-N 3.16Å |
| 108 | Y | 97.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 66.3 Ų | 66.3 | 22% | 0.216 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.5 | -36.9 | 178.6 | -62.3 | -12.2 | 0 | 0 | 0 | 112.5 | N104 L105 I166 K170 | N104-Y108 WeakPolarHBondContact O-CD1 3.5Å; N104-Y108 PolarHBondContact O-N 3.27Å; L105-Y108 HydrophobicContact CD2-CD2 4.48Å; L105-Y108 PolarHBondContact O-N 2.81Å; Y108-I166 HydrophobicContact CD1-CD1 4.11Å; Y108-I166 HydrophobicContact CD2-CB 4.49Å; Y108-I166 HydrophobicContact CD2-CD1 4.37Å; Y108-I166 HydrophobicContact CE1-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.13Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.08Å; Y108-K170 PolarHBondContact OH-NZ 2.99Å |
| 109 | Y | 97.8 | Very high | 96.4 | Very high | 68 Ų | 68 | 66.2 Ų | 66.2 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 0.4 | 177.9 | -69.1 | -70.4 | 0 | 0 | 0 | 114.3 | L105 G107 Q111 Y142 Y147 D161 A163 | L105-Y109 HydrophobicContact CD2-CE2 4.3Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.48Å; L105-Y109 PolarHBondContact O-N 3Å; G107-Y109 VanDerWaalsContact C-N 3.29Å; G107-Y109 PolarHBondContact O-N 3.31Å; Y109-Q111 VanDerWaalsContact C-N 3.26Å; Y109-Q111 PolarHBondContact O-N 3.31Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.46Å; Y109-Y142 HydrophobicContact CD2-CE1 3.46Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.46Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.12Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.29Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.16Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.16Å; Y109-D161 PolarHBondContact OH-OD1 2.84Å; Y109-D161 PolarHBondContact OH-OD2 2.86Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.49Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.98Å |
| 110 | N | 96.6 | Very high | 96.5 | Very high | 151 Ų | 151 | 67.5 Ų | 67.5 | 81% | 0.807 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 38.9 | -177.8 | -54.6 | -81.2 | 0 | 0 | 0 | 113.6 | R106 G107 | R106-N110 PolarHBondContact O-N 3.37Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 3.13Å; G107-N110 VanDerWaalsContact O-N 3.16Å |
| 111 | Q | 96.9 | Very high | 96.5 | Very high | 60 Ų | 60 | 63.6 Ų | 63.6 | 28% | 0.28 | 34% | 0.336 | S | S | . | . | trans | -85.7 | 153.3 | -177 | -70.5 | 163.1 | -41.7 | 0 | 0 | 112.3 | R106 Y109 H117 Y142 D143 | R106-Q111 HydrophobicContact CG-CB 3.79Å; R106-Q111 PolarHBondContact O-N 3.24Å; Y109-Q111 VanDerWaalsContact C-N 3.26Å; Y109-Q111 PolarHBondContact O-N 3.31Å; Q111-H117 PolarHBondContact NE2-CE1 2.78Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.27Å; Q111-H117 PolarHBondContact OE1-CE1 3.46Å; Q111-Y142 PolarHBondContact OE1-OH 2.86Å; Q111-D143 PolarHBondContact NE2-OD2 3.38Å | ||
| 112 | S | 94.4 | Very high | 96.6 | Very high | 78 Ų | 78 | 62.7 Ų | 62.7 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | trans | -69.2 | 150.6 | -179.6 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | D114 G115 | S112-D114 VanDerWaalsContact C-N 3.27Å; S112-D114 PolarHBondContact O-N 2.84Å; S112-G115 PolarHBondContact O-N 3.25Å | ||
| 113 | E | 90.9 | Very high | 96.6 | Very high | 130 Ų | 130 | 63 Ų | 63 | 61% | 0.607 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27.1 | 178.8 | -59.4 | -141.8 | 102.3 | 0 | 0 | 114.4 | P39 R106 G115 | P39-E113 WeakPolarHBondContact CB-O 3.35Å; P39-E113 VanDerWaalsContact CG-O 3.23Å; P39-E113 WeakPolarHBondContact CG-O 3.23Å; R106-E113 IonicContact CZ-OE1 2.83Å; R106-E113 IonicContact NH1-OE1 3.26Å; R106-E113 PolarHBondContact NH1-OE1 2.83Å; R106-E113 IonicContact NH2-OE1 3.74Å; R106-E113 PolarHBondContact NH2-OE1 3.48Å; E113-G115 PolarHBondContact O-N 2.85Å |
| 114 | D | 91.2 | Very high | 96.7 | Very high | 146 Ų | 146 | 56.8 Ų | 56.8 | 78% | 0.781 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -5.3 | 179.7 | -54.6 | -54.2 | 0 | 0 | 0 | 113.4 | S112 | S112-D114 VanDerWaalsContact C-N 3.27Å; S112-D114 PolarHBondContact O-N 2.84Å |
| 115 | G | 92.8 | Very high | 96.8 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | trans | -74.7 | 126.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S37 P39 S112 E113 H117 | S37-G115 PolarHBondContact OG-O 3.13Å; P39-G115 WeakPolarHBondContact CG-O 3.47Å; S112-G115 PolarHBondContact O-N 3.25Å; E113-G115 PolarHBondContact O-N 2.85Å; G115-H117 PolarHBondContact O-CD2 3.41Å | ||
| 116 | S | 97.1 | Very high | 96.8 | Very high | 79 Ų | 79 | 53.6 Ų | 53.6 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | trans | -78 | 125.1 | 163.1 | -172.9 | 0 | 0 | 0 | 0 | 108.4 | S37 | S37-S116 PolarHBondContact O-OG 3.41Š| ||
| 117 | H | 98.2 | Very high | 96.8 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | trans | -130.1 | 150.3 | -176.1 | -65.7 | -73 | 0 | 0 | 0 | 111 | V36 S37 L102 Q111 G115 Y142 D143 | V36-H117 CarbonylContact C-O 3.54Å; V36-H117 WeakPolarHBondContact CA-O 3.2Å; S37-H117 PolarHBondContact N-O 2.94Å; S37-H117 PolarHBondContact OG-N 2.93Å; S37-H117 PolarHBondContact OG-O 2.77Å; L102-H117 HydrophobicContact CD2-CB 4.35Å; Q111-H117 PolarHBondContact NE2-CE1 2.78Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.27Å; Q111-H117 PolarHBondContact OE1-CE1 3.46Å; G115-H117 PolarHBondContact O-CD2 3.41Å; H117-Y142 HydrophobicContact CB-CE2 3.88Å; H117-Y142 WeakPolarHBondContact CB-OH 3.45Å; H117-Y142 VanDerWaalsContact CG-OH 3.26Å; H117-Y142 AromaticContact ND1-CZ 3.97Å; H117-Y142 PolarHBondContact ND1-OH 2.07Å; H117-D143 WeakPolarHBondContact CA-OD1 3.21Å; H117-D143 WeakPolarHBondContact CB-OD1 3.45Å; H117-D143 IonicContact CE1-OD2 3.76Å; H117-D143 IonicContact CG-OD1 2.77Å; H117-D143 IonicContact CG-OD2 3.44Å; H117-D143 IonicContact ND1-OD1 3.11Å; H117-D143 PolarHBondContact ND1-OD1 3.14Å; H117-D143 IonicContact ND1-OD2 2.76Å; H117-D143 PolarHBondContact ND1-OD2 3.45Å | ||
| 118 | T | 98.6 | Very high | 96.7 | Very high | 38 Ų | 38 | 49 Ų | 49 | 23% | 0.233 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.7 | -175.6 | -59 | 0 | 0 | 0 | 0 | 110.5 | T34 A35 V36 Q120 Y142 D143 | T34-T118 HydrophobicContact CG2-CG2 4.2Å; A35-T118 CarbonylContact O-C 3.58Å; A35-T118 WeakPolarHBondContact O-CA 3.43Å; V36-T118 HydrophobicContact CG2-CG2 4.18Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; T118-Y142 CarbonylContact O-C 3.41Å; T118-Y142 WeakPolarHBondContact O-CA 3.35Å; T118-Y142 VanDerWaalsContact O-CD2 3.23Å; T118-Y142 WeakPolarHBondContact O-CD2 3.47Å; T118-D143 PolarHBondContact N-OD1 2.95Å; T118-D143 PolarHBondContact O-N 3.16Å |
| 119 | L | 98.7 | Very high | 96.2 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.3 | 171.7 | 175.2 | 60.3 | 0 | 0 | 0 | 108.6 | T34 A35 Y98 S101 L102 L105 A141 Y142 | T34-L119 WeakPolarHBondContact CA-O 3.34Å; A35-L119 PolarHBondContact N-O 3.09Å; A35-L119 PolarHBondContact O-N 3.37Å; Y98-L119 HydrophobicContact CD1-CB 4.26Å; Y98-L119 HydrophobicContact CD1-CD2 3.67Å; Y98-L119 HydrophobicContact CD1-CG 3.87Å; Y98-L119 HydrophobicContact CE1-CB 4.47Å; Y98-L119 HydrophobicContact CE1-CD2 3.95Å; Y98-L119 HydrophobicContact CE1-CG 3.8Å; Y98-L119 HydrophobicContact CG-CD2 4.44Å; S101-L119 VanDerWaalsContact CB-CD2 3.5Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.16Å; L105-L119 HydrophobicContact CD1-CD1 3.78Å; L105-L119 HydrophobicContact CD1-CD2 3.9Å; L105-L119 HydrophobicContact CD1-CG 4.28Å; L119-A141 WeakPolarHBondContact CD1-O 3.31Å; L119-Y142 HydrophobicContact CB-CD2 4.4Å |
| 120 | Q | 98.8 | Very high | 95.7 | Very high | 77 Ų | 77 | 52.3 Ų | 52.3 | 36% | 0.36 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 150.8 | 179.7 | -58.8 | 177.1 | -99.7 | 0 | 0 | 109.9 | D33 T34 T118 S140 A141 | D33-Q120 WeakPolarHBondContact O-CA 3.37Å; T34-Q120 HydrophobicContact CG2-CG 4.11Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; Q120-S140 CarbonylContact O-C 3.58Å; Q120-S140 VanDerWaalsContact O-CA 3.25Å; Q120-S140 WeakPolarHBondContact O-CA 3.25Å; Q120-A141 HydrophobicContact CB-CB 4.48Å; Q120-A141 PolarHBondContact N-O 2.93Å; Q120-A141 PolarHBondContact O-N 2.66Å |
| 121 | W | 98.3 | Very high | 95.3 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 134.3 | 176.2 | -172.1 | 31.8 | 0 | 0 | 0 | 109.2 | F32 D33 Y98 Y123 D138 Q139 W180 | F32-W121 WeakPolarHBondContact CA-O 3.47Å; D33-W121 HydrophobicContact CB-CB 4.26Å; D33-W121 HydrophobicContact CB-CE3 4.45Å; D33-W121 PolarHBondContact N-O 2.81Å; D33-W121 PolarHBondContact O-N 3.27Å; Y98-W121 HydrophobicContact CE2-CE3 4.18Å; Y98-W121 HydrophobicContact CE2-CZ3 4.45Å; Y98-W121 WeakPolarHBondContact OH-CB 3.46Å; W121-Y123 AromaticContact CD2-CD1 3.65Å; W121-Y123 HydrophobicContact CD2-CD1 3.65Å; W121-Y123 HydrophobicContact CD2-CE1 4.2Å; W121-Y123 AromaticContact CE2-CD1 3.97Å; W121-Y123 AromaticContact CE3-CD1 3.64Å; W121-Y123 HydrophobicContact CE3-CD1 3.64Å; W121-Y123 AromaticContact CE3-CE1 3.69Å; W121-Y123 HydrophobicContact CE3-CE1 3.69Å; W121-Y123 HydrophobicContact CG-CD1 4.22Å; W121-Y123 HydrophobicContact CZ2-CD1 4.42Å; W121-Y123 HydrophobicContact CZ3-CD1 4.1Å; W121-Y123 AromaticContact CZ3-CE1 3.96Å; W121-Y123 HydrophobicContact CZ3-CE1 3.96Å; W121-D138 VanDerWaalsContact NE1-CG 3.33Å; W121-D138 PolarHBondContact NE1-OD1 2.66Å; W121-Q139 WeakPolarHBondContact CA-O 3.29Å; W121-W180 AromaticContact CH2-CH2 3.58Å; W121-W180 HydrophobicContact CH2-CH2 3.58Å; W121-W180 AromaticContact CH2-CZ2 3.36Å; W121-W180 HydrophobicContact CH2-CZ2 3.36Å; W121-W180 AromaticContact CZ2-CE2 3.96Å; W121-W180 AromaticContact CZ2-CH2 3.5Å; W121-W180 HydrophobicContact CZ2-CH2 3.5Å; W121-W180 AromaticContact CZ2-CZ2 3.2Å; W121-W180 HydrophobicContact CZ2-CZ2 3.2Å; W121-W180 HydrophobicContact CZ2-CZ3 4.48Å |
| 122 | M | 98.6 | Very high | 95.2 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125.5 | 168.2 | -170.6 | -77.6 | -67.7 | 0 | 0 | 108 | R30 Y31 F32 Y137 Q139 | R30-M122 HydrophobicContact CB-SD 4.44Å; R30-M122 HydrophobicContact CG-SD 4.46Å; Y31-M122 WeakPolarHBondContact O-CA 3.13Å; F32-M122 HydrophobicContact CD1-CB 4.04Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.19Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.42Å; F32-M122 HydrophobicContact CZ-CG 3.98Å; M122-Y137 HydrophobicContact CE-CD1 3.81Å; M122-Y137 HydrophobicContact CE-CG 3.94Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 HydrophobicContact CE-CG 3.92Å; M122-Q139 PolarHBondContact N-O 3.33Å; M122-Q139 PolarHBondContact O-N 3.07Å |
| 123 | Y | 98.7 | Very high | 95.3 | Very high | 16 Ų | 16 | 50 Ų | 50 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.3 | 173 | 67.7 | -94.2 | 0 | 0 | 0 | 110.4 | Y31 W121 Y137 W180 Y183 | Y31-Y123 HydrophobicContact CD2-CD2 4.26Å; Y31-Y123 AromaticContact CD2-CE2 3.53Å; Y31-Y123 HydrophobicContact CD2-CE2 3.53Å; Y31-Y123 AromaticContact CD2-CZ 3.95Å; Y31-Y123 HydrophobicContact CE2-CE2 4.33Å; Y31-Y123 HydrophobicContact CG-CE1 4.44Å; Y31-Y123 AromaticContact CG-CE2 3.77Å; Y31-Y123 HydrophobicContact CG-CE2 3.77Å; Y31-Y123 AromaticContact CG-CZ 3.67Å; Y31-Y123 PolarHBondContact N-O 3.27Å; Y31-Y123 PolarHBondContact O-N 2.92Å; Y31-Y123 VanDerWaalsContact O-N 3.17Å; W121-Y123 AromaticContact CD2-CD1 3.65Å; W121-Y123 HydrophobicContact CD2-CD1 3.65Å; W121-Y123 HydrophobicContact CD2-CE1 4.2Å; W121-Y123 AromaticContact CE2-CD1 3.97Å; W121-Y123 AromaticContact CE3-CD1 3.64Å; W121-Y123 HydrophobicContact CE3-CD1 3.64Å; W121-Y123 AromaticContact CE3-CE1 3.69Å; W121-Y123 HydrophobicContact CE3-CE1 3.69Å; W121-Y123 HydrophobicContact CG-CD1 4.22Å; W121-Y123 HydrophobicContact CZ2-CD1 4.42Å; W121-Y123 HydrophobicContact CZ3-CD1 4.1Å; W121-Y123 AromaticContact CZ3-CE1 3.96Å; W121-Y123 HydrophobicContact CZ3-CE1 3.96Å; Y123-Y137 WeakPolarHBondContact CA-O 3.41Å; Y123-Y137 WeakPolarHBondContact CB-O 3.39Å; Y123-W180 HydrophobicContact CD2-CH2 4.4Å; Y123-W180 AromaticContact CD2-CZ3 3.99Å; Y123-W180 HydrophobicContact CD2-CZ3 3.99Å; Y123-W180 HydrophobicContact CG-CH2 4.29Å; Y123-W180 HydrophobicContact CG-CZ3 4.06Å; Y123-Y183 AromaticContact CD2-CE1 3.97Å; Y123-Y183 HydrophobicContact CD2-CE1 3.97Å; Y123-Y183 HydrophobicContact CE2-CE1 4.16Å |
| 124 | G | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.1 | -177.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | M29 G136 Y137 L184 | M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.45Å; G124-G136 CarbonylContact O-C 3.53Å; G124-Y137 PolarHBondContact N-O 3.13Å; G124-Y137 PolarHBondContact O-N 2.93Å; G124-L184 WeakPolarHBondContact O-CD2 3.41Å |
| 125 | C | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147 | -177.1 | 53 | 0 | 0 | 0 | 0 | 111.2 | S28 M29 L133 R135 C188 | S28-C125 CarbonylContact C-O 3.57Å; S28-C125 WeakPolarHBondContact CA-O 3.39Å; M29-C125 PolarHBondContact N-O 3.41Å; M29-C125 PolarHBondContact O-N 2.86Å; C125-L133 HydrophobicContact CB-CD1 3.54Å; C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.26Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.45Å; C125-C188 PolarHBondContact N-SG 2.95Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.01Å |
| 126 | D | 97.9 | Very high | 96 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 138.6 | 171.5 | -60.4 | -5.6 | 0 | 0 | 0 | 109 | H27 S28 R30 L134 R135 Y137 | H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.28Å; S28-D126 WeakPolarHBondContact CB-OD1 3.22Å; R30-D126 IonicContact CZ-OD1 3.24Å; R30-D126 VanDerWaalsContact CZ-OD1 3.26Å; R30-D126 IonicContact NE-OD1 2.67Å; R30-D126 PolarHBondContact NE-OD1 2.91Å; R30-D126 IonicContact NH2-OD1 3.57Å; R30-D126 PolarHBondContact NH2-OD1 3.24Å; R30-D126 IonicContact NH2-OD2 3.75Å; R30-D126 PolarHBondContact NH2-OD2 2.67Å; D126-L134 HydrophobicContact CB-CB 4.47Å; D126-L134 PolarHBondContact O-N 3.46Å; D126-R135 HydrophobicContact CB-CB 4.44Å; D126-R135 PolarHBondContact N-O 3.14Å; D126-R135 PolarHBondContact O-N 2.86Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.37Å; D126-Y137 PolarHBondContact OD2-OH 3.27Å; D126-Y137 VanDerWaalsContact OD2-OH 3.04Å |
| 127 | L | 96.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.5 | 173.7 | -55.4 | -177.3 | 0 | 0 | 0 | 110.4 | S26 H27 R132 V189 L192 R193 L196 | S26-L127 WeakPolarHBondContact CA-O 3.37Å; S26-L127 WeakPolarHBondContact CB-O 3.33Å; H27-L127 PolarHBondContact N-O 3.3Å; H27-L127 PolarHBondContact O-N 3.44Å; L127-R132 CarbonylContact C-O 3.58Å; L127-R132 WeakPolarHBondContact CA-O 3.41Å; L127-V189 HydrophobicContact CD2-CB 4.17Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L127-L192 HydrophobicContact CD1-CB 4.36Å; L127-L192 HydrophobicContact CD1-CD2 3.77Å; L127-L192 HydrophobicContact CD1-CG 3.77Å; L127-L192 HydrophobicContact CD2-CD2 4.45Å; L127-L192 HydrophobicContact CG-CD2 3.6Å; L127-L192 HydrophobicContact CG-CG 4.2Å; L127-R193 HydrophobicContact CD1-CG 3.9Å; L127-L196 HydrophobicContact CD1-CD1 4.46Å |
| 128 | G | 92.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 44 Ų | 44 | 9% | 0.093 | 22% | 0.22 | C | C | . | . | trans | -71.9 | 174 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112 | D130 G131 R132 | G128-D130 PolarHBondContact O-N 2.71Å; G128-D130 VanDerWaalsContact O-N 3.16Å; G128-G131 WeakPolarHBondContact O-CA 3.4Å; G128-G131 PolarHBondContact O-N 2.76Å; G128-R132 PolarHBondContact N-O 2.82Å | ||
| 129 | P | 88.2 | Confident | 96.1 | Very high | 93 Ų | 93 | 46 Ų | 46 | 60% | 0.604 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.6 | 179.6 | -18.8 | 29.9 | 0 | 0 | 0 | 113.9 | A24 G131 | A24-P129 HydrophobicContact CB-CB 4.05Å; A24-P129 HydrophobicContact CB-CG 3.31Å; A24-P129 WeakPolarHBondContact O-CG 3.39Å; P129-G131 PolarHBondContact O-N 3.15Å |
| 130 | D | 88.3 | Confident | 96.1 | Very high | 98 Ų | 98 | 46.2 Ų | 46.2 | 52% | 0.524 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 4.8 | 172.6 | 75.4 | -18.4 | 0 | 0 | 0 | 113.1 | G128 R132 | G128-D130 PolarHBondContact O-N 2.71Å; G128-D130 VanDerWaalsContact O-N 3.16Å; D130-R132 VanDerWaalsContact C-N 3.25Å; D130-R132 PolarHBondContact O-N 2.31Å; D130-R132 WeakPolarHBondContact OD1-CB 3.05Å; D130-R132 PolarHBondContact OD1-N 2.58Å; D130-R132 WeakPolarHBondContact OD2-CD 2.96Å; D130-R132 VanDerWaalsContact OD2-CG 3.31Å; D130-R132 WeakPolarHBondContact OD2-CG 3.44Å; D130-R132 IonicContact OD2-CZ 2.75Å; D130-R132 IonicContact OD2-NE 3.06Å; D130-R132 PolarHBondContact OD2-NE 2.89Å; D130-R132 IonicContact OD2-NH1 3.63Å |
| 131 | G | 88.1 | Confident | 96.1 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 22% | 0.216 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 71.1 | 10.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | G128 P129 R193 | G128-G131 WeakPolarHBondContact O-CA 3.4Å; G128-G131 PolarHBondContact O-N 2.76Å; P129-G131 PolarHBondContact O-N 3.15Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 3.32Å; G131-R193 PolarHBondContact O-NH2 3.06Å |
| 132 | R | 93.4 | Very high | 96.1 | Very high | 169 Ų | 169 | 42.2 Ų | 42.2 | 64% | 0.638 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -91 | 157.5 | 178.4 | -60.2 | -174.3 | -172.1 | 164.8 | -0.6 | 111.5 | L127 G128 D130 L134 | L127-R132 CarbonylContact C-O 3.58Å; L127-R132 WeakPolarHBondContact CA-O 3.41Å; G128-R132 PolarHBondContact N-O 2.82Å; D130-R132 VanDerWaalsContact C-N 3.25Å; D130-R132 PolarHBondContact O-N 2.31Å; D130-R132 WeakPolarHBondContact OD1-CB 3.05Å; D130-R132 PolarHBondContact OD1-N 2.58Å; D130-R132 WeakPolarHBondContact OD2-CD 2.96Å; D130-R132 VanDerWaalsContact OD2-CG 3.31Å; D130-R132 WeakPolarHBondContact OD2-CG 3.44Å; D130-R132 IonicContact OD2-CZ 2.75Å; D130-R132 IonicContact OD2-NE 3.06Å; D130-R132 PolarHBondContact OD2-NE 2.89Å; D130-R132 IonicContact OD2-NH1 3.63Å; R132-L134 PolarHBondContact O-N 3.46Å; R132-L134 VanDerWaalsContact O-N 3.08Å |
| 133 | L | 96.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 44.2 Ų | 44.2 | 26% | 0.262 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 116 | 173.5 | -175.2 | 72.5 | 0 | 0 | 0 | 109.9 | C125 R135 L154 E185 V189 | C125-L133 HydrophobicContact CB-CD1 3.54Å; L133-R135 VanDerWaalsContact CD1-O 3.28Å; L133-R135 WeakPolarHBondContact CD1-O 3.02Å; L133-L154 HydrophobicContact CD2-CD1 4.06Å; L133-E185 HydrophobicContact CD2-CB 4.46Å; L133-E185 HydrophobicContact CD2-CG 3.76Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.14Å |
| 134 | L | 96.3 | Very high | 96 | Very high | 120 Ų | 120 | 46.2 Ų | 46.2 | 63% | 0.628 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -43.9 | 170.1 | 178.3 | 62.5 | 0 | 0 | 0 | 110.1 | D126 R132 | D126-L134 HydrophobicContact CB-CB 4.47Å; D126-L134 PolarHBondContact O-N 3.46Å; R132-L134 PolarHBondContact O-N 3.46Å; R132-L134 VanDerWaalsContact O-N 3.08Å |
| 135 | R | 96.7 | Very high | 96 | Very high | 93 Ų | 93 | 53.8 Ų | 53.8 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 143.1 | -178.1 | -172.3 | 162.8 | 173.2 | 133.2 | 10 | 111.7 | C125 D126 L133 Y137 E152 | C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.26Å; D126-R135 HydrophobicContact CB-CB 4.44Å; D126-R135 PolarHBondContact N-O 3.14Å; D126-R135 PolarHBondContact O-N 2.86Å; L133-R135 VanDerWaalsContact CD1-O 3.28Å; L133-R135 WeakPolarHBondContact CD1-O 3.02Å; R135-Y137 HydrophobicContact CB-CE2 4.05Å; R135-Y137 VanDerWaalsContact CD-CZ 3.48Å; R135-Y137 VanDerWaalsContact CD-OH 3.26Å; R135-Y137 WeakPolarHBondContact CD-OH 3.3Å; R135-Y137 HydrophobicContact CG-CD2 4.32Å; R135-Y137 HydrophobicContact CG-CE1 4.29Å; R135-Y137 HydrophobicContact CG-CE2 3.68Å; R135-Y137 PolarHBondContact NE-OH 2.81Å; R135-E152 VanDerWaalsContact CZ-CD 3.46Å; R135-E152 IonicContact CZ-OE1 3.46Å; R135-E152 IonicContact NH1-OE1 3.37Å; R135-E152 PolarHBondContact NH1-OE1 3.49Å; R135-E152 IonicContact NH1-OE2 2.72Å; R135-E152 VanDerWaalsContact NH2-CG 3.32Å; R135-E152 IonicContact NH2-OE1 3.17Å; R135-E152 PolarHBondContact NH2-OE1 2.66Å |
| 136 | G | 98.1 | Very high | 96 | Very high | 7 Ų | 7 | 60 Ų | 60 | 7% | 0.072 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 153.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G124 | G124-G136 CarbonylContact O-C 3.53Å |
| 137 | Y | 98.3 | Very high | 96.1 | Very high | 39 Ų | 39 | 59.3 Ų | 59.3 | 15% | 0.153 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 139 | -178.8 | -58.2 | -98.2 | 0 | 0 | 0 | 111 | R30 M122 Y123 G124 D126 R135 | R30-Y137 VanDerWaalsContact CZ-CE2 3.49Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.31Å; R30-Y137 PolarHBondContact NH2-OH 3.22Å; M122-Y137 HydrophobicContact CE-CD1 3.81Å; M122-Y137 HydrophobicContact CE-CG 3.94Å; Y123-Y137 WeakPolarHBondContact CA-O 3.41Å; Y123-Y137 WeakPolarHBondContact CB-O 3.39Å; G124-Y137 PolarHBondContact N-O 3.13Å; G124-Y137 PolarHBondContact O-N 2.93Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.37Å; D126-Y137 PolarHBondContact OD2-OH 3.27Å; D126-Y137 VanDerWaalsContact OD2-OH 3.04Å; R135-Y137 HydrophobicContact CB-CE2 4.05Å; R135-Y137 VanDerWaalsContact CD-CZ 3.48Å; R135-Y137 VanDerWaalsContact CD-OH 3.26Å; R135-Y137 WeakPolarHBondContact CD-OH 3.3Å; R135-Y137 HydrophobicContact CG-CD2 4.32Å; R135-Y137 HydrophobicContact CG-CE1 4.29Å; R135-Y137 HydrophobicContact CG-CE2 3.68Å; R135-Y137 PolarHBondContact NE-OH 2.81Å |
| 138 | D | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 113.9 | 160.2 | 172.5 | -22.2 | 0 | 0 | 0 | 105.3 | W121 A149 L150 W180 | W121-D138 VanDerWaalsContact NE1-CG 3.33Å; W121-D138 PolarHBondContact NE1-OD1 2.66Å; D138-A149 CarbonylContact O-C 3.6Å; D138-A149 WeakPolarHBondContact O-CA 3.11Å; D138-L150 HydrophobicContact CB-CB 3.86Å; D138-L150 HydrophobicContact CB-CD2 4.21Å; D138-L150 PolarHBondContact O-N 2.96Å; D138-W180 HydrophobicContact CB-CD2 4.44Å; D138-W180 HydrophobicContact CB-CE3 4.44Å; D138-W180 VanDerWaalsContact OD2-CD2 3.24Å; D138-W180 VanDerWaalsContact OD2-CE2 3.24Å; D138-W180 PolarHBondContact OD2-NE1 2.62Å |
| 139 | Q | 98.4 | Very high | 96.4 | Very high | 81 Ų | 81 | 60.3 Ų | 60.3 | 38% | 0.379 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 127.7 | 178.7 | 60.9 | -172.4 | 64.7 | 0 | 0 | 111.6 | W121 M122 A149 | W121-Q139 WeakPolarHBondContact CA-O 3.29Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 HydrophobicContact CE-CG 3.92Å; M122-Q139 PolarHBondContact N-O 3.33Å; M122-Q139 PolarHBondContact O-N 3.07Å; Q139-A149 HydrophobicContact CB-CB 3.8Å |
| 140 | S | 98.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 144.6 | 179.5 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | Q120 Y147 I148 | Q120-S140 CarbonylContact O-C 3.58Å; Q120-S140 VanDerWaalsContact O-CA 3.25Å; Q120-S140 WeakPolarHBondContact O-CA 3.25Å; S140-Y147 WeakPolarHBondContact O-CB 3.48Å; S140-Y147 PolarHBondContact O-N 3.16Å; S140-I148 PolarHBondContact N-O 3.29Å; S140-I148 PolarHBondContact O-N 2.79Å |
| 141 | A | 98.8 | Very high | 97.4 | Very high | 18 Ų | 18 | 54 Ų | 54 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L119 Q120 K145 | L119-A141 WeakPolarHBondContact CD1-O 3.31Å; Q120-A141 HydrophobicContact CB-CB 4.48Å; Q120-A141 PolarHBondContact N-O 2.93Å; Q120-A141 PolarHBondContact O-N 2.66Å; A141-K145 CarbonylContact C-O 3.57Å; A141-K145 WeakPolarHBondContact CA-O 3.21Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.26Å |
| 142 | Y | 98.7 | Very high | 97.9 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.5 | 178.5 | -173.1 | -121.9 | 0 | 0 | 0 | 110.8 | L102 L105 Y109 Q111 H117 T118 L119 G144 K145 | L102-Y142 HydrophobicContact CD2-CE2 4.02Å; L105-Y142 HydrophobicContact CB-CD1 4.35Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 3.97Å; L105-Y142 HydrophobicContact CB-CE2 3.87Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.63Å; L105-Y142 HydrophobicContact CD1-CE2 3.93Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.46Å; Y109-Y142 HydrophobicContact CD2-CE1 3.46Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.46Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CE1 3.76Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Q111-Y142 PolarHBondContact OE1-OH 2.86Å; H117-Y142 HydrophobicContact CB-CE2 3.88Å; H117-Y142 WeakPolarHBondContact CB-OH 3.45Å; H117-Y142 VanDerWaalsContact CG-OH 3.26Å; H117-Y142 AromaticContact ND1-CZ 3.97Å; H117-Y142 PolarHBondContact ND1-OH 2.07Å; T118-Y142 CarbonylContact O-C 3.41Å; T118-Y142 WeakPolarHBondContact O-CA 3.35Å; T118-Y142 VanDerWaalsContact O-CD2 3.23Å; T118-Y142 WeakPolarHBondContact O-CD2 3.47Å; L119-Y142 HydrophobicContact CB-CD2 4.4Å; Y142-G144 PolarHBondContact O-N 3.15Å; Y142-G144 VanDerWaalsContact O-N 3.14Å; Y142-K145 PolarHBondContact N-O 3.37Å; Y142-K145 PolarHBondContact O-N 2.96Å |
| 143 | D | 98.1 | Very high | 98.1 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 39.2 | -174.2 | -66.3 | -20.5 | 0 | 0 | 0 | 113.4 | Q111 H117 T118 | Q111-D143 PolarHBondContact NE2-OD2 3.38Å; H117-D143 WeakPolarHBondContact CA-OD1 3.21Å; H117-D143 WeakPolarHBondContact CB-OD1 3.45Å; H117-D143 IonicContact CE1-OD2 3.76Å; H117-D143 IonicContact CG-OD1 2.77Å; H117-D143 IonicContact CG-OD2 3.44Å; H117-D143 IonicContact ND1-OD1 3.11Å; H117-D143 PolarHBondContact ND1-OD1 3.14Å; H117-D143 IonicContact ND1-OD2 2.76Å; H117-D143 PolarHBondContact ND1-OD2 3.45Å; T118-D143 PolarHBondContact N-OD1 2.95Å; T118-D143 PolarHBondContact O-N 3.16Å |
| 144 | G | 97.3 | Very high | 98.1 | Very high | 59 Ų | 59 | 53.2 Ų | 53.2 | 61% | 0.608 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 14.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y142 | Y142-G144 PolarHBondContact O-N 3.15Å; Y142-G144 VanDerWaalsContact O-N 3.14Å |
| 145 | K | 98.4 | Very high | 98.2 | Very high | 159 Ų | 159 | 55.5 Ų | 55.5 | 69% | 0.691 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 146.9 | 176.7 | -62.3 | 177.1 | -177.5 | 175.1 | 0 | 110.8 | A141 Y142 Y147 | A141-K145 CarbonylContact C-O 3.57Å; A141-K145 WeakPolarHBondContact CA-O 3.21Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.26Å; Y142-K145 PolarHBondContact N-O 3.37Å; Y142-K145 PolarHBondContact O-N 2.96Å; K145-Y147 PolarHBondContact O-N 2.99Å |
| 146 | D | 98.7 | Very high | 98.3 | Very high | 129 Ų | 129 | 53 Ų | 53 | 69% | 0.69 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 137.3 | 174.4 | -61.1 | -27.4 | 0 | 0 | 0 | 111.1 | A160 | D146-A160 HydrophobicContact CB-CB 4.34Å; D146-A160 WeakPolarHBondContact O-CB 3.36Å |
| 147 | Y | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | -63.7 | 178.5 | 179.8 | -109.7 | 0 | 0 | 0 | 110.3 | L105 Y109 S140 K145 A160 A163 A164 T167 | L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 4.07Å; L105-Y147 HydrophobicContact CD2-CE1 3.78Å; L105-Y147 HydrophobicContact CD2-CE2 3.44Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.44Å; L105-Y147 HydrophobicContact CD2-CG 4.48Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.33Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.12Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.29Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.16Å; S140-Y147 WeakPolarHBondContact O-CB 3.48Å; S140-Y147 PolarHBondContact O-N 3.16Å; K145-Y147 PolarHBondContact O-N 2.99Å; Y147-A160 WeakPolarHBondContact O-CB 3.46Å; Y147-A160 PolarHBondContact O-N 2.88Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 3.14Å; Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.73Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.46Å; Y147-T167 HydrophobicContact CE1-CG2 4.24Å; Y147-T167 PolarHBondContact OH-OG1 3.44Å |
| 148 | I | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 143 | 178.6 | -162.3 | 171.5 | 0 | 0 | 0 | 110.2 | S140 W157 T158 A159 T167 Q168 W171 | S140-I148 PolarHBondContact N-O 3.29Å; S140-I148 PolarHBondContact O-N 2.79Å; I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.45Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.43Å; I148-W157 HydrophobicContact CG1-CB 4.27Å; I148-W157 HydrophobicContact CG1-CE3 4.13Å; I148-T158 WeakPolarHBondContact CA-O 3.26Å; I148-T158 WeakPolarHBondContact CG1-O 3.28Å; I148-A159 HydrophobicContact CG1-CB 4.49Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; I148-Q168 HydrophobicContact CD1-CB 3.91Å; I148-W171 HydrophobicContact CD1-CE3 3.93Å; I148-W171 HydrophobicContact CD1-CZ3 4.2Å; I148-W171 HydrophobicContact CG2-CE3 4.38Å; I148-W171 HydrophobicContact CG2-CH2 4Å; I148-W171 HydrophobicContact CG2-CZ3 3.6Å |
| 149 | A | 98.8 | Very high | 98.3 | Very high | 29 Ų | 29 | 56 Ų | 56 | 24% | 0.24 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 143.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D138 Q139 W157 T158 | D138-A149 CarbonylContact O-C 3.6Å; D138-A149 WeakPolarHBondContact O-CA 3.11Å; Q139-A149 HydrophobicContact CB-CB 3.8Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; A149-T158 PolarHBondContact N-O 3.34Å; A149-T158 PolarHBondContact O-N 3Å |
| 150 | L | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 129.8 | 168.7 | -174.7 | 66.1 | 0 | 0 | 0 | 108.6 | D138 L154 W157 A177 W180 L184 | D138-L150 HydrophobicContact CB-CB 3.86Å; D138-L150 HydrophobicContact CB-CD2 4.21Å; D138-L150 PolarHBondContact O-N 2.96Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; L150-W157 HydrophobicContact CB-CE3 3.94Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.25Å; L150-W157 HydrophobicContact CD1-CH2 4.02Å; L150-W157 HydrophobicContact CD1-CZ2 3.91Å; L150-W157 HydrophobicContact CD1-CZ3 4.19Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 HydrophobicContact CG-CZ3 4.45Å; L150-A177 HydrophobicContact CD1-CB 3.9Å; L150-W180 HydrophobicContact CD2-CB 3.97Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å |
| 151 | N | 98.6 | Very high | 98.3 | Very high | 44 Ų | 44 | 56.9 Ų | 56.9 | 24% | 0.235 | 32% | 0.315 | C | S | . | . | trans | -74.6 | 162.8 | 179.8 | -66.1 | -30.2 | 0 | 0 | 0 | 111.3 | D153 L154 S156 T158 | N151-D153 PolarHBondContact O-N 2.85Å; N151-L154 PolarHBondContact O-N 2.87Å; N151-S156 WeakPolarHBondContact CB-O 3.49Å; N151-S156 PolarHBondContact N-O 3.24Å; N151-S156 PolarHBondContact ND2-O 3.31Å; N151-S156 PolarHBondContact ND2-OG 3.48Å; N151-T158 PolarHBondContact ND2-OG1 2.83Å; N151-T158 WeakPolarHBondContact OD1-CB 3.44Å; N151-T158 PolarHBondContact OD1-OG1 2.89Å | ||
| 152 | E | 97.4 | Very high | 98.3 | Very high | 138 Ų | 138 | 61.4 Ų | 61.4 | 65% | 0.645 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.9 | -179.5 | -63.6 | 177.1 | -161.8 | 0 | 0 | 114 | R135 L154 | R135-E152 VanDerWaalsContact CZ-CD 3.46Å; R135-E152 IonicContact CZ-OE1 3.46Å; R135-E152 IonicContact NH1-OE1 3.37Å; R135-E152 PolarHBondContact NH1-OE1 3.49Å; R135-E152 IonicContact NH1-OE2 2.72Å; R135-E152 VanDerWaalsContact NH2-CG 3.32Å; R135-E152 IonicContact NH2-OE1 3.17Å; R135-E152 PolarHBondContact NH2-OE1 2.66Å; E152-L154 PolarHBondContact O-N 2.86Å |
| 153 | D | 97.4 | Very high | 98.3 | Very high | 76 Ų | 76 | 61.1 Ų | 61.1 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -9.4 | 173.4 | 71.2 | 0.1 | 0 | 0 | 0 | 114 | N151 R155 S156 | N151-D153 PolarHBondContact O-N 2.85Å; D153-R155 WeakPolarHBondContact O-CG 3.23Å; D153-R155 PolarHBondContact O-N 3.01Å; D153-R155 PolarHBondContact OD1-N 3.19Å; D153-S156 VanDerWaalsContact CG-OG 3.25Å; D153-S156 PolarHBondContact OD1-N 3.43Å; D153-S156 PolarHBondContact OD1-OG 2.81Å; D153-S156 WeakPolarHBondContact OD2-CB 3.43Å; D153-S156 PolarHBondContact OD2-OG 2.88Å |
| 154 | L | 97.9 | Very high | 98.3 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 5% | 0.052 | 33% | 0.325 | C | S | . | . | S | Bend | trans | 52.1 | 32.5 | -173.3 | -53.2 | -178.7 | 0 | 0 | 0 | 113.3 | L133 L150 N151 E152 R181 L184 E185 | L133-L154 HydrophobicContact CD2-CD1 4.06Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; N151-L154 PolarHBondContact O-N 2.87Å; E152-L154 PolarHBondContact O-N 2.86Å; L154-R181 HydrophobicContact CB-CB 4.04Å; L154-R181 HydrophobicContact CB-CG 3.82Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; L154-R181 WeakPolarHBondContact O-CD 3.33Å; L154-L184 HydrophobicContact CD1-CB 4.49Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; L154-E185 HydrophobicContact CD1-CG 4.26Å |
| 155 | R | 97.6 | Very high | 98.3 | Very high | 168 Ų | 168 | 58.8 Ų | 58.8 | 63% | 0.634 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -139.4 | -31.7 | -173.9 | -69 | 167.6 | -167.3 | -142.8 | 3.6 | 113.6 | D153 | D153-R155 WeakPolarHBondContact O-CG 3.23Å; D153-R155 PolarHBondContact O-N 3.01Å; D153-R155 PolarHBondContact OD1-N 3.19Å |
| 156 | S | 97.9 | Very high | 98.3 | Very high | 41 Ų | 41 | 54.1 Ų | 54.1 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | trans | -116.4 | 158.9 | -177.8 | 62.2 | 0 | 0 | 0 | 0 | 111.6 | N151 D153 | N151-S156 WeakPolarHBondContact CB-O 3.49Å; N151-S156 PolarHBondContact N-O 3.24Å; N151-S156 PolarHBondContact ND2-O 3.31Å; N151-S156 PolarHBondContact ND2-OG 3.48Å; D153-S156 VanDerWaalsContact CG-OG 3.25Å; D153-S156 PolarHBondContact OD1-N 3.43Å; D153-S156 PolarHBondContact OD1-OG 2.81Å; D153-S156 WeakPolarHBondContact OD2-CB 3.43Å; D153-S156 PolarHBondContact OD2-OG 2.88Å | ||
| 157 | W | 98.7 | Very high | 98.3 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 4% | 0.038 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 143.9 | -178.8 | -60.5 | 93.7 | 0 | 0 | 0 | 110.9 | I148 A149 L150 Q168 W171 E176 A177 | I148-W157 HydrophobicContact CD1-CB 4.19Å; I148-W157 HydrophobicContact CD1-CD2 4.45Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.43Å; I148-W157 HydrophobicContact CG1-CB 4.27Å; I148-W157 HydrophobicContact CG1-CE3 4.13Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; L150-W157 HydrophobicContact CB-CE3 3.94Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.6Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.25Å; L150-W157 HydrophobicContact CD1-CH2 4.02Å; L150-W157 HydrophobicContact CD1-CZ2 3.91Å; L150-W157 HydrophobicContact CD1-CZ3 4.19Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 HydrophobicContact CG-CZ3 4.45Å; W157-Q168 HydrophobicContact CB-CG 4.21Å; W157-Q168 PolarHBondContact O-NE2 3Å; W157-W171 AromaticContact CD2-CE3 3.92Å; W157-W171 HydrophobicContact CD2-CE3 3.92Å; W157-W171 HydrophobicContact CD2-CZ3 4.45Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.78Å; W157-W171 HydrophobicContact CE3-CE3 3.78Å; W157-W171 AromaticContact CE3-CZ3 3.86Å; W157-W171 HydrophobicContact CE3-CZ3 3.86Å; W157-W171 AromaticContact CH2-CE3 3.54Å; W157-W171 HydrophobicContact CH2-CE3 3.54Å; W157-W171 AromaticContact CH2-CZ3 3.55Å; W157-W171 HydrophobicContact CH2-CZ3 3.55Å; W157-W171 HydrophobicContact CZ2-CD2 4.45Å; W157-W171 AromaticContact CZ2-CE3 3.65Å; W157-W171 HydrophobicContact CZ2-CE3 3.65Å; W157-W171 HydrophobicContact CZ2-CZ3 4.16Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 AromaticContact CZ3-CZ3 3.37Å; W157-W171 HydrophobicContact CZ3-CZ3 3.37Å; W157-E176 HydrophobicContact CZ2-CB 4.16Å; W157-A177 HydrophobicContact CZ2-CB 4.25Å |
| 158 | T | 98.7 | Very high | 98.3 | Very high | 77 Ų | 77 | 50.3 Ų | 50.3 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 118.4 | 165.7 | -67.6 | 0 | 0 | 0 | 0 | 108.8 | I148 A149 N151 | I148-T158 WeakPolarHBondContact CA-O 3.26Å; I148-T158 WeakPolarHBondContact CG1-O 3.28Å; A149-T158 PolarHBondContact N-O 3.34Å; A149-T158 PolarHBondContact O-N 3Å; N151-T158 PolarHBondContact ND2-OG1 2.83Å; N151-T158 WeakPolarHBondContact OD1-CB 3.44Å; N151-T158 PolarHBondContact OD1-OG1 2.89Å |
| 159 | A | 98.7 | Very high | 98.3 | Very high | 22 Ų | 22 | 57.2 Ų | 57.2 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | I148 A164 Q165 Q168 | I148-A159 HydrophobicContact CG1-CB 4.49Å; A159-A164 HydrophobicContact CB-CB 3.59Å; A159-Q165 HydrophobicContact CB-CG 4.11Å; A159-Q168 HydrophobicContact CB-CB 4.35Å |
| 160 | A | 98.5 | Very high | 98.3 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 50% | 0.504 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -72.4 | -30.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D146 Y147 | D146-A160 HydrophobicContact CB-CB 4.34Å; D146-A160 WeakPolarHBondContact O-CB 3.36Å; Y147-A160 WeakPolarHBondContact O-CB 3.46Å; Y147-A160 PolarHBondContact O-N 2.88Å |
| 161 | D | 98.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 63.6 Ų | 63.6 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -149.5 | -173.8 | -178.2 | 70 | 27.9 | 0 | 0 | 0 | 113.9 | Y109 A163 A164 Q165 | Y109-D161 WeakPolarHBondContact CE1-OD2 3.16Å; Y109-D161 PolarHBondContact OH-OD1 2.84Å; Y109-D161 PolarHBondContact OH-OD2 2.86Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.08Å; D161-A163 WeakPolarHBondContact OD1-CA 3.1Å; D161-A163 WeakPolarHBondContact OD1-CB 3.48Å; D161-A163 PolarHBondContact OD1-N 2.83Å; D161-A164 PolarHBondContact O-N 2.83Å; D161-A164 PolarHBondContact OD1-N 3.42Å; D161-Q165 WeakPolarHBondContact O-CG 3.35Å; D161-Q165 PolarHBondContact O-N 3Å |
| 162 | T | 98.1 | Very high | 98.2 | Very high | 113 Ų | 113 | 66.1 Ų | 66.1 | 69% | 0.693 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -23.2 | -179.6 | 49.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 163 | A | 98 | Very high | 98.3 | Very high | 5 Ų | 5 | 63.7 Ų | 63.7 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -43.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y109 Y147 D161 Q165 I166 | Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.49Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.98Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 3.14Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.08Å; D161-A163 WeakPolarHBondContact OD1-CA 3.1Å; D161-A163 WeakPolarHBondContact OD1-CB 3.48Å; D161-A163 PolarHBondContact OD1-N 2.83Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.04Å; A163-I166 VanDerWaalsContact O-CB 3.22Å; A163-I166 WeakPolarHBondContact O-CB 3.41Å; A163-I166 WeakPolarHBondContact O-CG1 3.19Å; A163-I166 PolarHBondContact O-N 3.41Å |
| 164 | A | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.5 | -36.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | Y147 A159 D161 I166 T167 Q168 | Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.73Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.46Å; A159-A164 HydrophobicContact CB-CB 3.59Å; D161-A164 PolarHBondContact O-N 2.83Å; D161-A164 PolarHBondContact OD1-N 3.42Å; A164-I166 PolarHBondContact O-N 2.88Å; A164-I166 VanDerWaalsContact O-N 3.15Å; A164-T167 WeakPolarHBondContact O-CA 3.37Å; A164-T167 PolarHBondContact O-N 3.45Å; A164-Q168 PolarHBondContact O-N 3.37Å |
| 165 | Q | 98.7 | Very high | 98.3 | Very high | 73 Ų | 73 | 69.3 Ų | 69.3 | 34% | 0.341 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.3 | -24 | 172.4 | -73.8 | 175.6 | 20.6 | 0 | 0 | 113.9 | A159 D161 A163 R169 | A159-Q165 HydrophobicContact CB-CG 4.11Å; D161-Q165 WeakPolarHBondContact O-CG 3.35Å; D161-Q165 PolarHBondContact O-N 3Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.04Å; Q165-R169 VanDerWaalsContact O-CG 3.29Å; Q165-R169 WeakPolarHBondContact O-CG 3.21Å; Q165-R169 PolarHBondContact O-N 2.98Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.11Å |
| 166 | I | 98.3 | Very high | 98.3 | Very high | 60 Ų | 60 | 63.8 Ų | 63.8 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71 | -42.7 | 173.9 | -54.2 | 172.5 | 0 | 0 | 0 | 109.9 | Y108 A163 A164 K170 | Y108-I166 HydrophobicContact CD1-CD1 4.11Å; Y108-I166 HydrophobicContact CD2-CB 4.49Å; Y108-I166 HydrophobicContact CD2-CD1 4.37Å; Y108-I166 HydrophobicContact CE1-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.13Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.08Å; A163-I166 VanDerWaalsContact O-CB 3.22Å; A163-I166 WeakPolarHBondContact O-CB 3.41Å; A163-I166 WeakPolarHBondContact O-CG1 3.19Å; A163-I166 PolarHBondContact O-N 3.41Å; A164-I166 PolarHBondContact O-N 2.88Å; A164-I166 VanDerWaalsContact O-N 3.15Å; I166-K170 WeakPolarHBondContact O-CG 3.5Å; I166-K170 PolarHBondContact O-N 3.35Å |
| 167 | T | 98.2 | Very high | 98.3 | Very high | 18 Ų | 18 | 62.2 Ų | 62.2 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.8 | -46.8 | 173.3 | -69.7 | 0 | 0 | 0 | 0 | 111 | Y147 I148 A164 R169 K170 W171 | Y147-T167 HydrophobicContact CE1-CG2 4.24Å; Y147-T167 PolarHBondContact OH-OG1 3.44Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; A164-T167 WeakPolarHBondContact O-CA 3.37Å; A164-T167 PolarHBondContact O-N 3.45Å; T167-R169 PolarHBondContact O-N 3.16Å; T167-K170 WeakPolarHBondContact O-CB 3.22Å; T167-K170 PolarHBondContact O-N 3.49Å; T167-W171 HydrophobicContact CG2-CD2 3.55Å; T167-W171 VanDerWaalsContact CG2-CE2 3.47Å; T167-W171 HydrophobicContact CG2-CE3 3.93Å; T167-W171 HydrophobicContact CG2-CG 4.03Å; T167-W171 HydrophobicContact CG2-CH2 4.2Å; T167-W171 HydrophobicContact CG2-CZ2 3.82Å; T167-W171 HydrophobicContact CG2-CZ3 4.24Å; T167-W171 PolarHBondContact O-N 2.93Å |
| 168 | Q | 98.6 | Very high | 98.3 | Very high | 40 Ų | 40 | 67.1 Ų | 67.1 | 19% | 0.187 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -50.2 | -53.9 | 177.6 | 175.6 | 175 | 11.5 | 0 | 0 | 111.9 | I148 W157 A159 A164 K170 W171 E172 | I148-Q168 HydrophobicContact CD1-CB 3.91Å; W157-Q168 HydrophobicContact CB-CG 4.21Å; W157-Q168 PolarHBondContact O-NE2 3Å; A159-Q168 HydrophobicContact CB-CB 4.35Å; A164-Q168 PolarHBondContact O-N 3.37Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 2.84Å; Q168-W171 PolarHBondContact O-N 2.92Å; Q168-W171 VanDerWaalsContact O-N 3.12Å; Q168-E172 HydrophobicContact CG-CG 4.23Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.42Å; Q168-E172 PolarHBondContact NE2-OE1 3.14Å; Q168-E172 WeakPolarHBondContact O-CB 3.41Å; Q168-E172 WeakPolarHBondContact O-CG 3.36Å; Q168-E172 PolarHBondContact O-N 2.79Å |
| 169 | R | 98.6 | Very high | 98.3 | Very high | 149 Ų | 149 | 69 Ų | 69 | 56% | 0.562 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.7 | -33.7 | -179.1 | -67.8 | 169.5 | -162.1 | 149.2 | 11.1 | 113 | Q165 T167 A173 | Q165-R169 VanDerWaalsContact O-CG 3.29Å; Q165-R169 WeakPolarHBondContact O-CG 3.21Å; Q165-R169 PolarHBondContact O-N 2.98Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.11Å; T167-R169 PolarHBondContact O-N 3.16Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.4Å; R169-A173 PolarHBondContact O-N 3.22Å; R169-A173 VanDerWaalsContact O-N 3.14Å |
| 170 | K | 98.1 | Very high | 98.2 | Very high | 117 Ų | 117 | 70 Ų | 70 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.3 | -45.7 | 174.7 | -72.7 | 175.8 | 175.1 | -175.5 | 0 | 110.9 | Y108 I166 T167 Q168 A173 A174 | Y108-K170 PolarHBondContact OH-NZ 2.99Å; I166-K170 WeakPolarHBondContact O-CG 3.5Å; I166-K170 PolarHBondContact O-N 3.35Å; T167-K170 WeakPolarHBondContact O-CB 3.22Å; T167-K170 PolarHBondContact O-N 3.49Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 2.84Å; K170-A173 PolarHBondContact O-N 2.82Å; K170-A174 WeakPolarHBondContact O-CB 3.49Å; K170-A174 PolarHBondContact O-N 3.45Å |
| 171 | W | 98.2 | Very high | 98.2 | Very high | 61 Ų | 61 | 70.8 Ų | 70.8 | 23% | 0.231 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.3 | -35 | -178.9 | -72.9 | -0.2 | 0 | 0 | 0 | 113.1 | I148 W157 T167 Q168 A174 R175 E176 | I148-W171 HydrophobicContact CD1-CE3 3.93Å; I148-W171 HydrophobicContact CD1-CZ3 4.2Å; I148-W171 HydrophobicContact CG2-CE3 4.38Å; I148-W171 HydrophobicContact CG2-CH2 4Å; I148-W171 HydrophobicContact CG2-CZ3 3.6Å; W157-W171 AromaticContact CD2-CE3 3.92Å; W157-W171 HydrophobicContact CD2-CE3 3.92Å; W157-W171 HydrophobicContact CD2-CZ3 4.45Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.78Å; W157-W171 HydrophobicContact CE3-CE3 3.78Å; W157-W171 AromaticContact CE3-CZ3 3.86Å; W157-W171 HydrophobicContact CE3-CZ3 3.86Å; W157-W171 AromaticContact CH2-CE3 3.54Å; W157-W171 HydrophobicContact CH2-CE3 3.54Å; W157-W171 AromaticContact CH2-CZ3 3.55Å; W157-W171 HydrophobicContact CH2-CZ3 3.55Å; W157-W171 HydrophobicContact CZ2-CD2 4.45Å; W157-W171 AromaticContact CZ2-CE3 3.65Å; W157-W171 HydrophobicContact CZ2-CE3 3.65Å; W157-W171 HydrophobicContact CZ2-CZ3 4.16Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 AromaticContact CZ3-CZ3 3.37Å; W157-W171 HydrophobicContact CZ3-CZ3 3.37Å; T167-W171 HydrophobicContact CG2-CD2 3.55Å; T167-W171 VanDerWaalsContact CG2-CE2 3.47Å; T167-W171 HydrophobicContact CG2-CE3 3.93Å; T167-W171 HydrophobicContact CG2-CG 4.03Å; T167-W171 HydrophobicContact CG2-CH2 4.2Å; T167-W171 HydrophobicContact CG2-CZ2 3.82Å; T167-W171 HydrophobicContact CG2-CZ3 4.24Å; T167-W171 PolarHBondContact O-N 2.93Å; Q168-W171 PolarHBondContact O-N 2.92Å; Q168-W171 VanDerWaalsContact O-N 3.12Å; W171-A174 CarbonylContact O-C 3.59Å; W171-R175 WeakPolarHBondContact O-CA 3.4Å; W171-R175 PolarHBondContact O-N 3.26Å; W171-E176 HydrophobicContact CB-CB 4.02Å; W171-E176 HydrophobicContact CB-CG 3.79Å; W171-E176 HydrophobicContact CD2-CG 4.46Å; W171-E176 HydrophobicContact CG-CB 4.19Å; W171-E176 HydrophobicContact CG-CG 3.74Å; W171-E176 PolarHBondContact O-N 3.37Å |
| 172 | E | 98.4 | Very high | 98.2 | Very high | 96 Ų | 96 | 71.3 Ų | 71.3 | 45% | 0.449 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 170.3 | -72.5 | 169.8 | 169.7 | 0 | 0 | 111.4 | Q168 A174 R175 | Q168-E172 HydrophobicContact CG-CG 4.23Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.42Å; Q168-E172 PolarHBondContact NE2-OE1 3.14Å; Q168-E172 WeakPolarHBondContact O-CB 3.41Å; Q168-E172 WeakPolarHBondContact O-CG 3.36Å; Q168-E172 PolarHBondContact O-N 2.79Å; E172-A174 VanDerWaalsContact C-N 3.34Å; E172-A174 PolarHBondContact O-N 2.84Å; E172-R175 PolarHBondContact O-N 3.25Å |
| 173 | A | 98.4 | Very high | 98.2 | Very high | 87 Ų | 87 | 68.6 Ų | 68.6 | 72% | 0.719 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.4 | -34.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | R169 K170 | R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.4Å; R169-A173 PolarHBondContact O-N 3.22Å; R169-A173 VanDerWaalsContact O-N 3.14Å; K170-A173 PolarHBondContact O-N 2.82Å |
| 174 | A | 98 | Very high | 98.3 | Very high | 53 Ų | 53 | 68.3 Ų | 68.3 | 44% | 0.438 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -85.5 | -5.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | K170 W171 E172 E176 | K170-A174 WeakPolarHBondContact O-CB 3.49Å; K170-A174 PolarHBondContact O-N 3.45Å; W171-A174 CarbonylContact O-C 3.59Å; E172-A174 VanDerWaalsContact C-N 3.34Å; E172-A174 PolarHBondContact O-N 2.84Å; A174-E176 VanDerWaalsContact C-N 3.3Å; A174-E176 HydrophobicContact CB-CG 4.1Å; A174-E176 PolarHBondContact O-N 2.86Å |
| 175 | R | 97.8 | Very high | 98.2 | Very high | 152 Ų | 152 | 72.7 Ų | 72.7 | 57% | 0.574 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 37.3 | -176.3 | -56.8 | 174.3 | 170.8 | -134.6 | 7.6 | 114.2 | W171 E172 A177 E178 | W171-R175 WeakPolarHBondContact O-CA 3.4Å; W171-R175 PolarHBondContact O-N 3.26Å; E172-R175 PolarHBondContact O-N 3.25Å; R175-A177 PolarHBondContact O-N 3.48Å; R175-A177 VanDerWaalsContact O-N 3.13Å; R175-E178 HydrophobicContact CB-CB 4.46Å; R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 IonicContact CZ-OE1 3.72Å; R175-E178 IonicContact NE-OE1 3.95Å; R175-E178 IonicContact NH1-OE1 2.84Å; R175-E178 PolarHBondContact NH1-OE1 3.11Å; R175-E178 IonicContact NH1-OE2 3.5Å; R175-E178 WeakPolarHBondContact O-CB 3.29Å; R175-E178 PolarHBondContact O-N 3.07Å |
| 176 | E | 97.9 | Very high | 98.2 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 24% | 0.238 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.8 | -33.2 | -177.8 | -60.8 | -66.7 | 177.9 | 0 | 0 | 112.6 | W157 W171 A174 E178 Q179 W180 | W157-E176 HydrophobicContact CZ2-CB 4.16Å; W171-E176 HydrophobicContact CB-CB 4.02Å; W171-E176 HydrophobicContact CB-CG 3.79Å; W171-E176 HydrophobicContact CD2-CG 4.46Å; W171-E176 HydrophobicContact CG-CB 4.19Å; W171-E176 HydrophobicContact CG-CG 3.74Å; W171-E176 PolarHBondContact O-N 3.37Å; A174-E176 VanDerWaalsContact C-N 3.3Å; A174-E176 HydrophobicContact CB-CG 4.1Å; A174-E176 PolarHBondContact O-N 2.86Å; E176-E178 PolarHBondContact O-N 2.91Å; E176-Q179 WeakPolarHBondContact O-CB 3.44Å; E176-Q179 PolarHBondContact O-N 2.89Å; E176-Q179 PolarHBondContact OE2-NE2 3.28Å; E176-W180 VanDerWaalsContact O-CD1 3.3Å; E176-W180 PolarHBondContact O-N 3.1Å |
| 177 | A | 98.4 | Very high | 98.2 | Very high | 8 Ų | 8 | 70.1 Ų | 70.1 | 7% | 0.066 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60 | -32 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | L150 W157 R175 Q179 R181 | L150-A177 HydrophobicContact CD1-CB 3.9Å; W157-A177 HydrophobicContact CZ2-CB 4.25Å; R175-A177 PolarHBondContact O-N 3.48Å; R175-A177 VanDerWaalsContact O-N 3.13Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-R181 WeakPolarHBondContact O-CB 3.47Å; A177-R181 PolarHBondContact O-N 3.27Å |
| 178 | E | 98.1 | Very high | 98.2 | Very high | 114 Ų | 114 | 69.3 Ų | 69.3 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.3 | -36.6 | 175.2 | -63.8 | 179.5 | -173.5 | 0 | 0 | 111.2 | R175 E176 A182 | R175-E178 HydrophobicContact CB-CB 4.46Å; R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 IonicContact CZ-OE1 3.72Å; R175-E178 IonicContact NE-OE1 3.95Å; R175-E178 IonicContact NH1-OE1 2.84Å; R175-E178 PolarHBondContact NH1-OE1 3.11Å; R175-E178 IonicContact NH1-OE2 3.5Å; R175-E178 WeakPolarHBondContact O-CB 3.29Å; R175-E178 PolarHBondContact O-N 3.07Å; E176-E178 PolarHBondContact O-N 2.91Å; E178-A182 WeakPolarHBondContact O-CB 3.33Å; E178-A182 PolarHBondContact O-N 2.92Å; E178-A182 VanDerWaalsContact O-N 3.13Å |
| 179 | Q | 97.8 | Very high | 98.2 | Very high | 117 Ų | 117 | 67.7 Ų | 67.7 | 55% | 0.547 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -71 | -47 | 176.7 | -60.7 | -178.4 | 63.3 | 0 | 0 | 111.5 | E176 A177 R181 A182 Y183 | E176-Q179 WeakPolarHBondContact O-CB 3.44Å; E176-Q179 PolarHBondContact O-N 2.89Å; E176-Q179 PolarHBondContact OE2-NE2 3.28Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; Q179-R181 PolarHBondContact O-N 2.87Å; Q179-A182 PolarHBondContact O-N 2.92Å; Q179-Y183 PolarHBondContact O-N 3.24Å |
| 180 | W | 98.2 | Very high | 98.1 | Very high | 43 Ų | 43 | 66.5 Ų | 66.5 | 16% | 0.163 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 176.1 | -81.1 | 102.9 | 0 | 0 | 0 | 112.2 | W121 Y123 D138 L150 E176 A182 Y183 L184 | W121-W180 AromaticContact CH2-CH2 3.58Å; W121-W180 HydrophobicContact CH2-CH2 3.58Å; W121-W180 AromaticContact CH2-CZ2 3.36Å; W121-W180 HydrophobicContact CH2-CZ2 3.36Å; W121-W180 AromaticContact CZ2-CE2 3.96Å; W121-W180 AromaticContact CZ2-CH2 3.5Å; W121-W180 HydrophobicContact CZ2-CH2 3.5Å; W121-W180 AromaticContact CZ2-CZ2 3.2Å; W121-W180 HydrophobicContact CZ2-CZ2 3.2Å; W121-W180 HydrophobicContact CZ2-CZ3 4.48Å; Y123-W180 HydrophobicContact CD2-CH2 4.4Å; Y123-W180 AromaticContact CD2-CZ3 3.99Å; Y123-W180 HydrophobicContact CD2-CZ3 3.99Å; Y123-W180 HydrophobicContact CG-CH2 4.29Å; Y123-W180 HydrophobicContact CG-CZ3 4.06Å; D138-W180 HydrophobicContact CB-CD2 4.44Å; D138-W180 HydrophobicContact CB-CE3 4.44Å; D138-W180 VanDerWaalsContact OD2-CD2 3.24Å; D138-W180 VanDerWaalsContact OD2-CE2 3.24Å; D138-W180 PolarHBondContact OD2-NE1 2.62Å; L150-W180 HydrophobicContact CD2-CB 3.97Å; E176-W180 VanDerWaalsContact O-CD1 3.3Å; E176-W180 PolarHBondContact O-N 3.1Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 2.78Å; W180-Y183 AromaticContact CE3-CD1 3.99Å; W180-Y183 HydrophobicContact CE3-CD1 3.99Å; W180-Y183 AromaticContact CZ3-CD1 3.75Å; W180-Y183 HydrophobicContact CZ3-CD1 3.75Å; W180-Y183 HydrophobicContact CZ3-CE1 4.11Å; W180-Y183 PolarHBondContact O-N 3.33Å; W180-L184 HydrophobicContact CB-CD1 4.5Å; W180-L184 VanDerWaalsContact O-CB 3.29Å; W180-L184 WeakPolarHBondContact O-CB 3.34Å; W180-L184 WeakPolarHBondContact O-CG 3.38Å; W180-L184 PolarHBondContact O-N 3.28Å |
| 181 | R | 98.4 | Very high | 98.1 | Very high | 76 Ų | 76 | 63.3 Ų | 63.3 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 174.8 | -172.7 | 169 | 178.5 | -115.8 | -23.7 | 112.3 | L154 A177 Q179 L184 E185 | L154-R181 HydrophobicContact CB-CB 4.04Å; L154-R181 HydrophobicContact CB-CG 3.82Å; L154-R181 HydrophobicContact CD1-CG 4.22Å; L154-R181 WeakPolarHBondContact O-CD 3.33Å; A177-R181 WeakPolarHBondContact O-CB 3.47Å; A177-R181 PolarHBondContact O-N 3.27Å; Q179-R181 PolarHBondContact O-N 2.87Å; R181-L184 PolarHBondContact O-N 3Å; R181-E185 HydrophobicContact CG-CG 4.06Å; R181-E185 IonicContact CZ-OE1 3.44Å; R181-E185 IonicContact CZ-OE2 3.86Å; R181-E185 IonicContact NE-OE1 3.78Å; R181-E185 PolarHBondContact NE-OE1 3.28Å; R181-E185 IonicContact NE-OE2 2.82Å; R181-E185 PolarHBondContact NE-OE2 3.16Å; R181-E185 VanDerWaalsContact NH2-CD 3.33Å; R181-E185 IonicContact NH2-OE1 3.84Å; R181-E185 PolarHBondContact NH2-OE1 3.36Å; R181-E185 IonicContact NH2-OE2 2.74Å; R181-E185 PolarHBondContact NH2-OE2 2.83Å; R181-E185 VanDerWaalsContact O-CB 3.3Å; R181-E185 WeakPolarHBondContact O-CB 3.1Å; R181-E185 WeakPolarHBondContact O-CG 3.43Å; R181-E185 PolarHBondContact O-N 2.9Å |
| 182 | A | 98.4 | Very high | 98.1 | Very high | 65 Ų | 65 | 60.4 Ų | 60.4 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E178 Q179 W180 G186 | E178-A182 WeakPolarHBondContact O-CB 3.33Å; E178-A182 PolarHBondContact O-N 2.92Å; E178-A182 VanDerWaalsContact O-N 3.13Å; Q179-A182 PolarHBondContact O-N 2.92Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 2.78Å; A182-G186 PolarHBondContact O-N 2.9Å |
| 183 | Y | 98.3 | Very high | 98.1 | Very high | 55 Ų | 55 | 61.8 Ų | 61.8 | 22% | 0.216 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -65.8 | -47.6 | 173 | 170.9 | -100.2 | 0 | 0 | 0 | 111.9 | Y123 Q179 W180 G186 T187 C188 | Y123-Y183 AromaticContact CD2-CE1 3.97Å; Y123-Y183 HydrophobicContact CD2-CE1 3.97Å; Y123-Y183 HydrophobicContact CE2-CE1 4.16Å; Q179-Y183 PolarHBondContact O-N 3.24Å; W180-Y183 AromaticContact CE3-CD1 3.99Å; W180-Y183 HydrophobicContact CE3-CD1 3.99Å; W180-Y183 AromaticContact CZ3-CD1 3.75Å; W180-Y183 HydrophobicContact CZ3-CD1 3.75Å; W180-Y183 HydrophobicContact CZ3-CE1 4.11Å; W180-Y183 PolarHBondContact O-N 3.33Å; Y183-G186 CarbonylContact O-C 3.58Å; Y183-T187 HydrophobicContact CD2-CG2 4.03Å; Y183-T187 HydrophobicContact CE2-CG2 3.94Å; Y183-T187 PolarHBondContact O-N 3.18Å; Y183-T187 VanDerWaalsContact O-N 3.11Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.91Å; Y183-C188 WeakPolarHBondContact O-CB 2.99Å; Y183-C188 PolarHBondContact O-N 2.84Å |
| 184 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -71.6 | -39.8 | -174.4 | -69.1 | 171.8 | 0 | 0 | 0 | 113.1 | G124 L150 L154 W180 R181 V189 | G124-L184 WeakPolarHBondContact O-CD2 3.41Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å; L154-L184 HydrophobicContact CD1-CB 4.49Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; W180-L184 HydrophobicContact CB-CD1 4.5Å; W180-L184 VanDerWaalsContact O-CB 3.29Å; W180-L184 WeakPolarHBondContact O-CB 3.34Å; W180-L184 WeakPolarHBondContact O-CG 3.38Å; W180-L184 PolarHBondContact O-N 3.28Å; R181-L184 PolarHBondContact O-N 3Å; L184-V189 WeakPolarHBondContact O-CG2 3.4Å |
| 185 | E | 97.9 | Very high | 98 | Very high | 91 Ų | 91 | 60.9 Ų | 60.9 | 43% | 0.425 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -78.3 | -24 | 176.4 | -67.3 | -178.1 | 167.2 | 0 | 0 | 113.1 | L133 L154 R181 | L133-E185 HydrophobicContact CD2-CB 4.46Å; L133-E185 HydrophobicContact CD2-CG 3.76Å; L154-E185 HydrophobicContact CD1-CG 4.26Å; R181-E185 HydrophobicContact CG-CG 4.06Å; R181-E185 IonicContact CZ-OE1 3.44Å; R181-E185 IonicContact CZ-OE2 3.86Å; R181-E185 IonicContact NE-OE1 3.78Å; R181-E185 PolarHBondContact NE-OE1 3.28Å; R181-E185 IonicContact NE-OE2 2.82Å; R181-E185 PolarHBondContact NE-OE2 3.16Å; R181-E185 VanDerWaalsContact NH2-CD 3.33Å; R181-E185 IonicContact NH2-OE1 3.84Å; R181-E185 PolarHBondContact NH2-OE1 3.36Å; R181-E185 IonicContact NH2-OE2 2.74Å; R181-E185 PolarHBondContact NH2-OE2 2.83Å; R181-E185 VanDerWaalsContact O-CB 3.3Å; R181-E185 WeakPolarHBondContact O-CB 3.1Å; R181-E185 WeakPolarHBondContact O-CG 3.43Å; R181-E185 PolarHBondContact O-N 2.9Å |
| 186 | G | 97.9 | Very high | 97.9 | Very high | 23 Ų | 23 | 54.2 Ų | 54.2 | 24% | 0.237 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -110.9 | -92.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A182 Y183 C188 V189 E190 | A182-G186 PolarHBondContact O-N 2.9Å; Y183-G186 CarbonylContact O-C 3.58Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 3.04Å; G186-V189 WeakPolarHBondContact O-CB 3.22Å; G186-V189 PolarHBondContact O-N 3.47Å; G186-E190 WeakPolarHBondContact O-CG 3.38Å; G186-E190 PolarHBondContact O-N 2.89Å |
| 187 | T | 97.8 | Very high | 97.8 | Very high | 57 Ų | 57 | 57.4 Ų | 57.4 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -54.1 | -40.2 | -169.4 | -58 | 0 | 0 | 0 | 0 | 113.6 | Y183 E190 W191 | Y183-T187 HydrophobicContact CD2-CG2 4.03Å; Y183-T187 HydrophobicContact CE2-CG2 3.94Å; Y183-T187 PolarHBondContact O-N 3.18Å; Y183-T187 VanDerWaalsContact O-N 3.11Å; T187-E190 PolarHBondContact O-N 3.26Å; T187-W191 PolarHBondContact O-N 3.13Å |
| 188 | C | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 178 | -170.1 | 0 | 0 | 0 | 0 | 111.5 | M29 C125 Y183 G186 E190 W191 L192 | M29-C188 HydrophobicContact CE-CB 4.13Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.38Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.45Å; C125-C188 PolarHBondContact N-SG 2.95Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.01Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.91Å; Y183-C188 WeakPolarHBondContact O-CB 2.99Å; Y183-C188 PolarHBondContact O-N 2.84Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 3.04Å; C188-E190 PolarHBondContact O-N 2.85Å; C188-W191 PolarHBondContact O-N 3.12Å; C188-L192 WeakPolarHBondContact O-CB 3.38Å; C188-L192 PolarHBondContact O-N 3.02Å |
| 189 | V | 98.2 | Very high | 97.6 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 177.2 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | L127 L133 L184 G186 R193 | L127-V189 HydrophobicContact CD2-CB 4.17Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.14Å; L184-V189 WeakPolarHBondContact O-CG2 3.4Å; G186-V189 WeakPolarHBondContact O-CB 3.22Å; G186-V189 PolarHBondContact O-N 3.47Å; V189-R193 WeakPolarHBondContact O-CB 3.36Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.4Å; V189-R193 PolarHBondContact O-N 3.14Å |
| 190 | E | 97.9 | Very high | 97.4 | Very high | 124 Ų | 124 | 53 Ų | 53 | 58% | 0.579 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.8 | -46.5 | 179.2 | -70.5 | 175.6 | 165.4 | 0 | 0 | 112.4 | G186 T187 C188 R194 | G186-E190 WeakPolarHBondContact O-CG 3.38Å; G186-E190 PolarHBondContact O-N 2.89Å; T187-E190 PolarHBondContact O-N 3.26Å; C188-E190 PolarHBondContact O-N 2.85Å; E190-R194 PolarHBondContact O-N 3.48Å; E190-R194 VanDerWaalsContact O-N 3.09Å |
| 191 | W | 98 | Very high | 97 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 19% | 0.189 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.2 | -41.6 | 178.5 | -80.5 | 100.9 | 0 | 0 | 0 | 112.5 | M29 Y83 T187 C188 R193 R194 Y195 | M29-W191 HydrophobicContact CE-CB 4.1Å; M29-W191 HydrophobicContact SD-CB 4.35Å; Y83-W191 HydrophobicContact CD2-CE3 4.48Å; Y83-W191 AromaticContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CZ2 4.33Å; Y83-W191 AromaticContact CD2-CZ3 3.63Å; Y83-W191 HydrophobicContact CD2-CZ3 3.63Å; Y83-W191 HydrophobicContact CE2-CE3 4Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 AromaticContact CE2-CZ3 3.55Å; Y83-W191 HydrophobicContact CE2-CZ3 3.55Å; T187-W191 PolarHBondContact O-N 3.13Å; C188-W191 PolarHBondContact O-N 3.12Å; W191-R193 PolarHBondContact O-N 3.42Å; W191-R194 WeakPolarHBondContact O-CB 3.25Å; W191-R194 PolarHBondContact O-N 3.27Å; W191-Y195 HydrophobicContact CB-CE2 4.1Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE2 4.49Å; W191-Y195 AromaticContact CE3-CZ 3.58Å; W191-Y195 HydrophobicContact CZ3-CE1 4.03Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.37Å; W191-Y195 PolarHBondContact O-N 2.93Å |
| 192 | L | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 176.1 | 174.5 | 50.3 | 0 | 0 | 0 | 111.5 | H27 M29 V52 L127 C188 R194 Y195 L196 | H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 3.98Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.19Å; M29-L192 HydrophobicContact CE-CB 4.36Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; L127-L192 HydrophobicContact CD1-CB 4.36Å; L127-L192 HydrophobicContact CD1-CD2 3.77Å; L127-L192 HydrophobicContact CD1-CG 3.77Å; L127-L192 HydrophobicContact CD2-CD2 4.45Å; L127-L192 HydrophobicContact CG-CD2 3.6Å; L127-L192 HydrophobicContact CG-CG 4.2Å; C188-L192 WeakPolarHBondContact O-CB 3.38Å; C188-L192 PolarHBondContact O-N 3.02Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.34Å; L192-Y195 PolarHBondContact O-N 3.44Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.4Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 2.86Å |
| 193 | R | 96.8 | Very high | 96.4 | Very high | 124 Ų | 124 | 55.3 Ų | 55.3 | 47% | 0.468 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 173.9 | -72.7 | 173.9 | -177.9 | 168.2 | 0.6 | 112.6 | L127 G131 V189 W191 L196 E197 | L127-R193 HydrophobicContact CD1-CG 3.9Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 3.32Å; G131-R193 PolarHBondContact O-NH2 3.06Å; V189-R193 WeakPolarHBondContact O-CB 3.36Å; V189-R193 VanDerWaalsContact O-CG 3.29Å; V189-R193 WeakPolarHBondContact O-CG 3.4Å; V189-R193 PolarHBondContact O-N 3.14Å; W191-R193 PolarHBondContact O-N 3.42Å; R193-L196 PolarHBondContact O-N 2.75Å; R193-E197 PolarHBondContact O-N 2.84Å; R193-E197 VanDerWaalsContact O-N 3.13Å |
| 194 | R | 97 | Very high | 96 | Very high | 120 Ų | 120 | 57.1 Ų | 57.1 | 45% | 0.453 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 176.2 | 179 | 179.2 | 173.3 | 99.3 | -5.8 | 111.5 | E79 E190 W191 L192 E197 N198 | E79-R194 VanDerWaalsContact CD-NH2 3.34Å; E79-R194 IonicContact OE1-CZ 3.71Å; E79-R194 IonicContact OE1-NE 3.46Å; E79-R194 PolarHBondContact OE1-NE 3.26Å; E79-R194 IonicContact OE1-NH2 3.32Å; E79-R194 PolarHBondContact OE1-NH2 3.2Å; E79-R194 VanDerWaalsContact OE1-NH2 3.17Å; E79-R194 IonicContact OE2-CZ 2.75Å; E79-R194 IonicContact OE2-NE 3.84Å; E79-R194 PolarHBondContact OE2-NE 2.82Å; E79-R194 IonicContact OE2-NH2 3.4Å; E79-R194 PolarHBondContact OE2-NH2 3.46Å; E190-R194 PolarHBondContact O-N 3.48Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.25Å; W191-R194 PolarHBondContact O-N 3.27Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.34Å; R194-E197 PolarHBondContact O-N 3.08Å; R194-N198 VanDerWaalsContact O-CB 3.32Å; R194-N198 WeakPolarHBondContact O-CB 3.39Å; R194-N198 PolarHBondContact O-N 2.93Å; R194-N198 PolarHBondContact O-OD1 3.17Å |
| 195 | Y | 97.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 177.9 | -61.6 | -29.8 | 0 | 0 | 0 | 112.4 | M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203 | M29-Y195 HydrophobicContact SD-CD2 3.79Å; M29-Y195 HydrophobicContact SD-CE2 3.49Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.4Å; V52-Y195 HydrophobicContact CG2-CD2 3.76Å; V52-Y195 HydrophobicContact CG2-CG 4.34Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE1-CE2 4.36Å; F57-Y195 AromaticContact CE2-CE2 3.75Å; F57-Y195 HydrophobicContact CE2-CE2 3.75Å; F57-Y195 AromaticContact CE2-CZ 3.88Å; F57-Y195 HydrophobicContact CZ-CD2 4.38Å; F57-Y195 AromaticContact CZ-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CE2 3.69Å; W75-Y195 HydrophobicContact CE3-CD1 4.3Å; W75-Y195 HydrophobicContact CE3-CG 4.47Å; W75-Y195 HydrophobicContact CH2-CD2 4.43Å; W75-Y195 HydrophobicContact CH2-CG 4.09Å; W75-Y195 AromaticContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD1 3.62Å; W75-Y195 HydrophobicContact CZ3-CD2 4.23Å; W75-Y195 HydrophobicContact CZ3-CE1 4.36Å; W75-Y195 AromaticContact CZ3-CG 3.55Å; W75-Y195 HydrophobicContact CZ3-CG 3.55Å; V76-Y195 HydrophobicContact CG2-CE1 4.33Å; Y83-Y195 HydrophobicContact CE2-CE1 4.41Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.28Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.39Å; Y83-Y195 PolarHBondContact OH-OH 2.72Å; W191-Y195 HydrophobicContact CB-CE2 4.1Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE2 4.49Å; W191-Y195 AromaticContact CE3-CZ 3.58Å; W191-Y195 HydrophobicContact CZ3-CE1 4.03Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.37Å; W191-Y195 PolarHBondContact O-N 2.93Å; L192-Y195 PolarHBondContact O-N 3.44Å; Y195-E197 VanDerWaalsContact C-N 3.33Å; Y195-E197 PolarHBondContact O-N 3.04Å; Y195-N198 PolarHBondContact O-N 3.27Å; Y195-G199 WeakPolarHBondContact O-CA 3.42Å; Y195-G199 PolarHBondContact O-N 2.91Å; Y195-L203 WeakPolarHBondContact O-CD1 3.32Å |
| 196 | L | 96 | Very high | 95.3 | Very high | 13 Ų | 13 | 58.6 Ų | 58.6 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.6 | -35.4 | 175.8 | -71.8 | 168 | 0 | 0 | 0 | 112.9 | H27 V52 L127 L192 R193 K200 L203 Q204 | H27-L196 HydrophobicContact CB-CD1 3.64Å; H27-L196 HydrophobicContact CB-CD2 3.95Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.44Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L127-L196 HydrophobicContact CD1-CD1 4.46Å; L192-L196 HydrophobicContact CD1-CD1 3.74Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.4Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 2.86Å; R193-L196 PolarHBondContact O-N 2.75Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.36Å; L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 3.35Å; L196-K200 VanDerWaalsContact O-N 3.17Å; L196-L203 HydrophobicContact CD2-CB 4.18Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 PolarHBondContact O-NE2 3.27Å |
| 197 | E | 95.8 | Very high | 95.1 | Very high | 118 Ų | 118 | 60.4 Ų | 60.4 | 55% | 0.551 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -76.7 | -44 | 174.1 | -170.4 | 61.7 | -161.9 | 0 | 0 | 111.4 | R193 R194 Y195 G199 K200 | R193-E197 PolarHBondContact O-N 2.84Å; R193-E197 VanDerWaalsContact O-N 3.13Å; R194-E197 PolarHBondContact O-N 3.08Å; Y195-E197 VanDerWaalsContact C-N 3.33Å; Y195-E197 PolarHBondContact O-N 3.04Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 3.29Å; E197-K200 WeakPolarHBondContact O-CB 3.43Å; E197-K200 PolarHBondContact O-N 3.06Å; E197-K200 IonicContact OE1-NZ 3.47Å; E197-K200 IonicContact OE2-NZ 3.15Å; E197-K200 PolarHBondContact OE2-NZ 2.98Å |
| 198 | N | 96.6 | Very high | 95 | Very high | 49 Ų | 49 | 62.6 Ų | 62.6 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 176.1 | -72.7 | 1.6 | 0 | 0 | 0 | 112.6 | W75 Q78 E79 R194 Y195 | W75-N198 HydrophobicContact CB-CB 4.43Å; Q78-N198 PolarHBondContact NE2-ND2 3.09Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.17Å; Q78-N198 PolarHBondContact NE2-OD1 3.49Å; E79-N198 PolarHBondContact OE1-ND2 2.86Å; E79-N198 VanDerWaalsContact OE1-ND2 3.1Å; R194-N198 VanDerWaalsContact O-CB 3.32Å; R194-N198 WeakPolarHBondContact O-CB 3.39Å; R194-N198 PolarHBondContact O-N 2.93Å; R194-N198 PolarHBondContact O-OD1 3.17Å; Y195-N198 PolarHBondContact O-N 3.27Å |
| 199 | G | 95.6 | Very high | 95 | Very high | 3 Ų | 3 | 63 Ų | 63 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 17.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | W75 Y195 E197 E201 T202 L203 | W75-G199 VanDerWaalsContact CB-CA 3.46Å; W75-G199 VanDerWaalsContact CG-CA 3.45Å; Y195-G199 WeakPolarHBondContact O-CA 3.42Å; Y195-G199 PolarHBondContact O-N 2.91Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 3.29Å; G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 2.82Å; G199-T202 CarbonylContact O-C 3.52Å; G199-T202 WeakPolarHBondContact O-CA 3.13Å; G199-T202 PolarHBondContact O-N 2.95Å; G199-T202 PolarHBondContact O-OG1 3.1Å; G199-L203 WeakPolarHBondContact O-CB 3.36Å; G199-L203 PolarHBondContact O-N 2.59Å |
| 200 | K | 93.5 | Very high | 95 | Very high | 95 Ų | 95 | 69.7 Ų | 69.7 | 41% | 0.413 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -47.6 | -46.9 | -171 | -174.8 | 168.2 | -163.4 | 158.6 | 0 | 114.6 | L196 E197 T202 Q204 | L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.36Å; L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 3.35Å; L196-K200 VanDerWaalsContact O-N 3.17Å; E197-K200 WeakPolarHBondContact O-CB 3.43Å; E197-K200 PolarHBondContact O-N 3.06Å; E197-K200 IonicContact OE1-NZ 3.47Å; E197-K200 IonicContact OE2-NZ 3.15Å; E197-K200 PolarHBondContact OE2-NZ 2.98Å; K200-T202 PolarHBondContact O-N 2.89Å; K200-Q204 HydrophobicContact CG-CB 4.48Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 2.87Å; K200-Q204 PolarHBondContact O-N 2.87Å |
| 201 | E | 91.1 | Very high | 95 | Very high | 180 Ų | 180 | 65.4 Ų | 65.4 | 84% | 0.841 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.5 | -23.7 | 179.2 | -60.6 | -173.8 | 162.8 | 0 | 0 | 113.5 | G199 R205 | G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 2.82Å; E201-R205 WeakPolarHBondContact O-CD 3.15Å |
| 202 | T | 90.9 | Very high | 95 | Very high | 48 Ų | 48 | 66.8 Ų | 66.8 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -108.5 | -27.9 | -176.1 | 52.7 | 0 | 0 | 0 | 0 | 114.9 | G199 K200 R205 | G199-T202 CarbonylContact O-C 3.52Å; G199-T202 WeakPolarHBondContact O-CA 3.13Å; G199-T202 PolarHBondContact O-N 2.95Å; G199-T202 PolarHBondContact O-OG1 3.1Å; K200-T202 PolarHBondContact O-N 2.89Å; T202-R205 WeakPolarHBondContact O-CG 3.2Å; T202-R205 PolarHBondContact O-NE 2.85Å; T202-R205 VanDerWaalsContact O-NE 3.07Å |
| 203 | L | 91.9 | Very high | 95 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -100 | -34.2 | -175 | -63.2 | 173.2 | 0 | 0 | 0 | 112.5 | V52 T55 W75 Y195 L196 G199 R205 | V52-L203 HydrophobicContact CB-CD1 4.34Å; V52-L203 HydrophobicContact CB-CD2 4.25Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.13Å; T55-L203 HydrophobicContact CG2-CD2 4.04Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.8Å; W75-L203 HydrophobicContact CZ2-CD2 4.06Å; W75-L203 HydrophobicContact CZ2-CG 4.35Å; Y195-L203 WeakPolarHBondContact O-CD1 3.32Å; L196-L203 HydrophobicContact CD2-CB 4.18Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 WeakPolarHBondContact O-CB 3.36Å; G199-L203 PolarHBondContact O-N 2.59Å; L203-R205 VanDerWaalsContact C-N 3.32Å |
| 204 | Q | 89.5 | Confident | 95 | Very high | 93 Ų | 93 | 63.4 Ų | 63.4 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -98.3 | 24.4 | 177.7 | -56.8 | 176.5 | 31.5 | 0 | 0 | 111.7 | L196 K200 | L196-Q204 PolarHBondContact O-NE2 3.27Å; K200-Q204 HydrophobicContact CG-CB 4.48Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 2.87Å; K200-Q204 PolarHBondContact O-N 2.87Å |
| 205 | R | 90.3 | Very high | 94.9 | Very high | 85 Ų | 85 | 60.2 Ų | 60.2 | 32% | 0.321 | 29% | 0.293 | S | S | . | . | trans | -100.4 | 147.2 | 170.2 | 71.8 | -177.7 | 171.2 | 157.3 | 2.2 | 109 | E201 T202 L203 E207 Y233 | E201-R205 WeakPolarHBondContact O-CD 3.15Å; T202-R205 WeakPolarHBondContact O-CG 3.2Å; T202-R205 PolarHBondContact O-NE 2.85Å; T202-R205 VanDerWaalsContact O-NE 3.07Å; L203-R205 VanDerWaalsContact C-N 3.32Å; R205-E207 IonicContact CZ-OE1 3.46Å; R205-E207 VanDerWaalsContact CZ-OE1 3.27Å; R205-E207 IonicContact NE-OE1 3.74Å; R205-E207 IonicContact NH1-OE1 3.4Å; R205-E207 PolarHBondContact NH1-OE1 2.99Å; R205-E207 IonicContact NH2-OE1 3.87Å; R205-Y233 HydrophobicContact CG-CD1 4.37Å; R205-Y233 WeakPolarHBondContact O-CD1 3.44Å | ||
| 206 | A | 92.6 | Very high | 94.8 | Very high | 37 Ų | 37 | 64 Ų | 64 | 31% | 0.306 | 31% | 0.31 | S | S | . | . | trans | -118.1 | 125.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109 | Y233 G289 | A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.29Å; A206-Y233 WeakPolarHBondContact CA-O 3.29Å; A206-G289 VanDerWaalsContact CB-CA 3.5Å | ||
| 207 | E | 94.6 | Very high | 94.7 | Very high | 61 Ų | 61 | 68 Ų | 68 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -98.9 | 119.9 | 174.2 | -68.8 | -167.1 | -155 | 0 | 0 | 109.2 | R205 F232 Y233 H287 | R205-E207 IonicContact CZ-OE1 3.46Å; R205-E207 VanDerWaalsContact CZ-OE1 3.27Å; R205-E207 IonicContact NE-OE1 3.74Å; R205-E207 IonicContact NH1-OE1 3.4Å; R205-E207 PolarHBondContact NH1-OE1 2.99Å; R205-E207 IonicContact NH2-OE1 3.87Å; E207-F232 WeakPolarHBondContact O-CA 3.5Å; E207-F232 VanDerWaalsContact O-CB 3.29Å; E207-F232 WeakPolarHBondContact O-CB 3.48Å; E207-Y233 PolarHBondContact N-O 2.98Å; E207-Y233 PolarHBondContact O-N 2.72Å; E207-Y233 VanDerWaalsContact O-N 3.14Å; E207-H287 PolarHBondContact N-CE1 2.86Å; E207-H287 PolarHBondContact O-CE1 3.21Å |
| 208 | H | 95.4 | Very high | 94.5 | Very high | 103 Ų | 103 | 66.9 Ų | 66.9 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 141.9 | -177.8 | -48.4 | -100.5 | 0 | 0 | 0 | 111.7 | K210 G289 L290 | H208-K210 PolarHBondContact O-N 3.04Å; H208-G289 VanDerWaalsContact CE1-C 3.49Å; H208-G289 PolarHBondContact CE1-O 3.1Å; H208-G289 PolarHBondContact ND1-O 3.46Å; H208-L290 HydrophobicContact CB-CD2 4.1Å |
| 209 | P | 97.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 67 Ų | 67 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 129.4 | 176.5 | 27.5 | -35.3 | 0 | 0 | 0 | 112 | T211 A229 F232 I237 V285 H287 L290 | P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.4Å; P209-A229 HydrophobicContact CB-CB 3.82Å; P209-F232 HydrophobicContact CB-CB 3.92Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.18Å; P209-I237 HydrophobicContact CB-CD1 4.08Å; P209-I237 HydrophobicContact CG-CD1 4.18Å; P209-V285 HydrophobicContact CG-CG1 3.93Å; P209-H287 HydrophobicContact CG-CB 4.06Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.4Å; P209-L290 HydrophobicContact CG-CG 4.21Å |
| 210 | K | 98 | Very high | 94.1 | Very high | 147 Ų | 147 | 74 Ų | 74 | 64% | 0.639 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 103.2 | 165.6 | -65.5 | 163 | -172 | 154.9 | 0 | 107.6 | H208 L230 | H208-K210 PolarHBondContact O-N 3.04Å; K210-L230 WeakPolarHBondContact CB-O 3.33Å; K210-L230 PolarHBondContact N-O 2.87Å; K210-L230 PolarHBondContact O-N 2.85Å; K210-L230 VanDerWaalsContact O-N 3.12Å |
| 211 | T | 98 | Very high | 94 | Very high | 34 Ų | 34 | 76.4 Ų | 76.4 | 21% | 0.209 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 144.6 | -171.8 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | P209 W228 A229 V285 L294 L296 | P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.4Å; T211-W228 WeakPolarHBondContact CA-O 3.25Å; T211-A229 HydrophobicContact CG2-CB 4.28Å; T211-V285 HydrophobicContact CG2-CB 4.41Å; T211-V285 HydrophobicContact CG2-CG1 4.13Å; T211-V285 HydrophobicContact CG2-CG2 4.04Å; T211-L294 HydrophobicContact CG2-CD1 4.34Å; T211-L296 VanDerWaalsContact CB-CD1 3.47Å; T211-L296 HydrophobicContact CG2-CD1 4.13Å |
| 212 | H | 97.3 | Very high | 94.2 | Very high | 79 Ų | 79 | 72.4 Ų | 72.4 | 37% | 0.366 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 159 | 171.6 | 63.2 | -73.1 | 0 | 0 | 0 | 111 | W228 | H212-W228 VanDerWaalsContact CE1-CB 3.49Å; H212-W228 WeakPolarHBondContact CE1-CB 3.35Å; H212-W228 AromaticContact CE1-CD1 3.88Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 2.73Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.84Å; H212-W228 PolarHBondContact O-N 2.81Å |
| 213 | V | 98.2 | Very high | 94.5 | Very high | 22 Ų | 22 | 70.1 Ų | 70.1 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.7 | 175.3 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | L225 C227 W241 L296 W298 | V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.42Å; V213-C227 HydrophobicContact CG2-CB 4.34Å; V213-W241 HydrophobicContact CG1-CH2 3.84Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.25Å; V213-L296 HydrophobicContact CG2-CB 3.97Å; V213-W298 HydrophobicContact CB-CB 4.44Å; V213-W298 HydrophobicContact CG1-CB 3.79Å |
| 214 | T | 96.9 | Very high | 94.8 | Very high | 32 Ų | 32 | 71 Ų | 71 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 145.5 | 173.8 | 49.5 | 0 | 0 | 0 | 0 | 110.5 | H216 L225 R226 W228 | T214-H216 PolarHBondContact OG1-NE2 3.2Å; T214-L225 CarbonylContact O-C 3.52Å; T214-L225 WeakPolarHBondContact O-CA 3.35Å; T214-R226 PolarHBondContact N-O 3.07Å; T214-R226 PolarHBondContact O-N 3.44Å; T214-R226 WeakPolarHBondContact OG1-CB 3.42Å; T214-R226 PolarHBondContact OG1-O 3.2Å; T214-W228 PolarHBondContact OG1-NE1 2.9Å |
| 215 | H | 96.2 | Very high | 95.2 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 25% | 0.245 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.2 | -179.8 | 166.7 | -89.9 | 0 | 0 | 0 | 109.7 | A223 L225 W298 | H215-A223 VanDerWaalsContact NE2-CB 3.25Å; H215-A223 WeakPolarHBondContact NE2-CB 3.47Å; H215-L225 HydrophobicContact CB-CD2 3.93Å; H215-W298 HydrophobicContact CB-CD2 4.03Å; H215-W298 HydrophobicContact CB-CG 4.09Å; H215-W298 HydrophobicContact CB-CZ2 4.03Å; H215-W298 VanDerWaalsContact CB-NE1 3.32Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.94Å |
| 216 | H | 95.3 | Very high | 95.5 | Very high | 80 Ų | 80 | 64.9 Ų | 64.9 | 37% | 0.37 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 106.1 | -178.2 | -56.5 | -70.9 | 0 | 0 | 0 | 109.5 | T214 V218 A223 T224 R226 | T214-H216 PolarHBondContact OG1-NE2 3.2Å; H216-V218 PolarHBondContact O-N 2.77Å; H216-A223 CarbonylContact O-C 3.48Å; H216-A223 WeakPolarHBondContact O-CA 3.38Å; H216-T224 PolarHBondContact N-O 3.23Å; H216-T224 PolarHBondContact O-N 2.78Å; H216-R226 PolarHBondContact CD2-NH1 2.98Å; H216-R226 VanDerWaalsContact CD2-NH1 3.31Å; H216-R226 PolarHBondContact NE2-NH1 3.18Å; H216-R226 VanDerWaalsContact NE2-NH1 3.2Å |
| 217 | P | 94.2 | Very high | 95.8 | Very high | 98 Ų | 98 | 63.1 Ų | 63.1 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 133.7 | 173 | -21.5 | 31.7 | 0 | 0 | 0 | 111 | ||
| 218 | V | 91.6 | Very high | 96 | Very high | 94 Ų | 94 | 62.5 Ų | 62.5 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | trans | -108.2 | -39.8 | 175.8 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | H216 E222 T224 | H216-V218 PolarHBondContact O-N 2.77Å; V218-E222 PolarHBondContact N-O 2.94Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.22Å | ||
| 219 | S | 92.3 | Very high | 96.2 | Very high | 52 Ų | 52 | 57.6 Ų | 57.6 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -148.6 | -178.7 | 174.8 | 71.6 | 0 | 0 | 0 | 0 | 110.8 | H221 E222 | S219-H221 PolarHBondContact O-N 3.01Å; S219-H221 VanDerWaalsContact O-N 3.14Å; S219-H221 PolarHBondContact OG-N 2.91Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; S219-E222 PolarHBondContact N-O 3.38Å; S219-E222 PolarHBondContact OG-N 3.3Å; S219-E222 VanDerWaalsContact OG-N 3.14Å |
| 220 | D | 89.6 | Confident | 96.2 | Very high | 150 Ų | 150 | 60 Ų | 60 | 80% | 0.802 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -67.6 | -2.7 | 171.1 | -63.7 | -28.3 | 0 | 0 | 0 | 113.5 | ||
| 221 | H | 93.1 | Very high | 96.2 | Very high | 145 Ų | 145 | 53.6 Ų | 53.6 | 67% | 0.671 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -124.3 | -16.7 | -175.6 | -55.8 | -29 | 0 | 0 | 0 | 113.4 | S219 P274 S275 | S219-H221 PolarHBondContact O-N 3.01Å; S219-H221 VanDerWaalsContact O-N 3.14Å; S219-H221 PolarHBondContact OG-N 2.91Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; H221-P274 CarbonylContact O-C 3.6Å; H221-P274 WeakPolarHBondContact O-CA 3.5Å; H221-S275 PolarHBondContact O-N 3.48Å; H221-S275 PolarHBondContact O-OG 2.77Å |
| 222 | E | 95.3 | Very high | 96.1 | Very high | 95 Ų | 95 | 52 Ų | 52 | 44% | 0.444 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 142.6 | -171.2 | -66.3 | 179.2 | 163.6 | 0 | 0 | 112.2 | V218 S219 V272 V273 S275 | V218-E222 PolarHBondContact N-O 2.94Å; S219-E222 PolarHBondContact N-O 3.38Å; S219-E222 PolarHBondContact OG-N 3.3Å; S219-E222 VanDerWaalsContact OG-N 3.14Å; E222-V272 HydrophobicContact CB-CG1 4.06Å; E222-V272 HydrophobicContact CG-CG1 4.29Å; E222-V273 WeakPolarHBondContact CA-O 3.28Å; E222-S275 PolarHBondContact N-OG 3.29Å |
| 223 | A | 96.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | H215 H216 V273 | H215-A223 VanDerWaalsContact NE2-CB 3.25Å; H215-A223 WeakPolarHBondContact NE2-CB 3.47Å; H216-A223 CarbonylContact O-C 3.48Å; H216-A223 WeakPolarHBondContact O-CA 3.38Å; A223-V273 PolarHBondContact N-O 2.68Å; A223-V273 PolarHBondContact O-N 3.42Å |
| 224 | T | 97.6 | Very high | 95.9 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 14% | 0.141 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 121.5 | 168.7 | -53.1 | 0 | 0 | 0 | 0 | 109.6 | H216 V218 A270 V271 | H216-T224 PolarHBondContact N-O 3.23Å; H216-T224 PolarHBondContact O-N 2.78Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.22Å; T224-A270 HydrophobicContact CG2-CB 3.86Å; T224-V271 WeakPolarHBondContact CA-O 3.15Å |
| 225 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.1 | 163 | -62.7 | -176 | 0 | 0 | 0 | 108.7 | V213 T214 H215 W241 A270 V271 V273 E278 W298 | V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.42Å; T214-L225 CarbonylContact O-C 3.52Å; T214-L225 WeakPolarHBondContact O-CA 3.35Å; H215-L225 HydrophobicContact CB-CD2 3.93Å; L225-W241 HydrophobicContact CB-CH2 3.66Å; L225-W241 HydrophobicContact CB-CZ2 3.77Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 3.96Å; L225-W241 HydrophobicContact CD1-CZ3 4.15Å; L225-W241 HydrophobicContact CG-CH2 4.46Å; L225-A270 CarbonylContact O-C 3.58Å; L225-A270 WeakPolarHBondContact O-CA 3.4Å; L225-V271 HydrophobicContact CB-CG2 4.22Å; L225-V271 PolarHBondContact N-O 2.74Å; L225-V271 PolarHBondContact O-N 2.9Å; L225-V273 HydrophobicContact CD1-CG1 4.04Å; L225-V273 HydrophobicContact CD1-CG2 4.12Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.45Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.99Å |
| 226 | R | 98.4 | Very high | 95.9 | Very high | 48 Ų | 48 | 51.7 Ų | 51.7 | 18% | 0.181 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 114.6 | 175.1 | 178.9 | -178.5 | -65.7 | 108 | 1.2 | 110.3 | T214 H216 W228 W268 A269 A270 | T214-R226 PolarHBondContact N-O 3.07Å; T214-R226 PolarHBondContact O-N 3.44Å; T214-R226 WeakPolarHBondContact OG1-CB 3.42Å; T214-R226 PolarHBondContact OG1-O 3.2Å; H216-R226 PolarHBondContact CD2-NH1 2.98Å; H216-R226 VanDerWaalsContact CD2-NH1 3.31Å; H216-R226 PolarHBondContact NE2-NH1 3.18Å; H216-R226 VanDerWaalsContact NE2-NH1 3.2Å; R226-W228 VanDerWaalsContact CD-CE2 3.45Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.02Å; R226-W268 HydrophobicContact CG-CE3 3.77Å; R226-W268 HydrophobicContact CG-CG 4.16Å; R226-A269 WeakPolarHBondContact CA-O 3.08Å; R226-A270 HydrophobicContact CB-CB 3.91Å; R226-A270 HydrophobicContact CG-CB 4.11Å |
| 227 | C | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 124.5 | 174 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | V213 W241 W268 A269 C283 | V213-C227 HydrophobicContact CG2-CB 4.34Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.05Å; C227-W268 WeakPolarHBondContact O-CB 3.39Å; C227-A269 PolarHBondContact N-O 3.16Å; C227-A269 PolarHBondContact O-N 2.84Å; C227-C283 HydrophobicContact CB-CB 3.49Å; C227-C283 VanDerWaalsContact CB-CB 3.49Å; C227-C283 WeakPolarHBondContact CB-SG 3.46Å; C227-C283 WeakPolarHBondContact SG-CB 3.23Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.91Å |
| 228 | W | 98.5 | Very high | 96.1 | Very high | 49 Ų | 49 | 46.5 Ų | 46.5 | 19% | 0.186 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 144 | 179.3 | -68.3 | 89.3 | 0 | 0 | 0 | 110.9 | T211 H212 T214 R226 L230 W268 | T211-W228 WeakPolarHBondContact CA-O 3.25Å; H212-W228 VanDerWaalsContact CE1-CB 3.49Å; H212-W228 WeakPolarHBondContact CE1-CB 3.35Å; H212-W228 AromaticContact CE1-CD1 3.88Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 2.73Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.84Å; H212-W228 PolarHBondContact O-N 2.81Å; T214-W228 PolarHBondContact OG1-NE1 2.9Å; R226-W228 VanDerWaalsContact CD-CE2 3.45Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; W228-L230 HydrophobicContact CE3-CD2 3.93Å; W228-L230 HydrophobicContact CZ3-CD2 4.49Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.85Å; W228-W268 AromaticContact CE3-CD1 3.76Å; W228-W268 HydrophobicContact CE3-CG 4.1Å; W228-W268 HydrophobicContact CG-CB 4.36Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 AromaticContact CH2-NE1 3.98Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.33Å; W228-W268 HydrophobicContact CZ3-CG 4.04Å |
| 229 | A | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108 | P209 T211 F232 I237 L239 Q266 K267 | P209-A229 HydrophobicContact CB-CB 3.82Å; T211-A229 HydrophobicContact CG2-CB 4.28Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.77Å; A229-F232 WeakPolarHBondContact O-CE1 3.38Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 3.98Å; A229-L239 HydrophobicContact CB-CD2 4.23Å; A229-Q266 VanDerWaalsContact O-CA 3.32Å; A229-Q266 WeakPolarHBondContact O-CA 3.5Å; A229-K267 PolarHBondContact N-O 3.35Å; A229-K267 PolarHBondContact O-N 3.28Å; A229-K267 VanDerWaalsContact O-O 3.06Å |
| 230 | L | 98.3 | Very high | 96.6 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 30% | 0.298 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 144.1 | -174.9 | -59.3 | 176.6 | 0 | 0 | 0 | 111 | K210 W228 Q266 | K210-L230 WeakPolarHBondContact CB-O 3.33Å; K210-L230 PolarHBondContact N-O 2.87Å; K210-L230 PolarHBondContact O-N 2.85Å; K210-L230 VanDerWaalsContact O-N 3.12Å; W228-L230 HydrophobicContact CE3-CD2 3.93Å; W228-L230 HydrophobicContact CZ3-CD2 4.49Å; L230-Q266 HydrophobicContact CD2-CB 3.6Å |
| 231 | G | 97.5 | Very high | 97.1 | Very high | 14 Ų | 14 | 34.7 Ų | 34.7 | 14% | 0.144 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 69.6 | 41 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T264 F265 | G231-T264 WeakPolarHBondContact CA-OG1 3.33Å; G231-F265 PolarHBondContact N-O 3.17Å |
| 232 | F | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 157.4 | 178.2 | 59.4 | -91 | 0 | 0 | 0 | 112.8 | E207 P209 A229 P234 I237 T257 T264 F265 K267 H287 | E207-F232 WeakPolarHBondContact O-CA 3.5Å; E207-F232 VanDerWaalsContact O-CB 3.29Å; E207-F232 WeakPolarHBondContact O-CB 3.48Å; P209-F232 HydrophobicContact CB-CB 3.92Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.18Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.77Å; A229-F232 WeakPolarHBondContact O-CE1 3.38Å; F232-P234 WeakPolarHBondContact CD2-O 3.36Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.33Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.75Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.78Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.16Å; F232-I237 HydrophobicContact CZ-CD1 3.78Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; F232-T257 HydrophobicContact CE2-CG2 4.03Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.5Å; F232-F265 WeakPolarHBondContact CD1-O 3.25Å; F232-F265 HydrophobicContact CD2-CB 3.9Å; F232-F265 HydrophobicContact CE1-CB 4.33Å; F232-F265 WeakPolarHBondContact CE1-O 3.46Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 2.84Å; F232-F265 PolarHBondContact O-N 2.82Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.7Å; F232-H287 AromaticContact CD2-NE2 3.55Å |
| 233 | Y | 95.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -153.3 | 135.8 | 174.6 | 179 | -83.5 | 0 | 0 | 0 | 108.5 | D54 T55 R205 A206 E207 G263 F265 H287 | D54-Y233 HydrophobicContact CB-CE2 4Å; T55-Y233 PolarHBondContact OG1-OH 3.08Å; R205-Y233 HydrophobicContact CG-CD1 4.37Å; R205-Y233 WeakPolarHBondContact O-CD1 3.44Å; A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.29Å; A206-Y233 WeakPolarHBondContact CA-O 3.29Å; E207-Y233 PolarHBondContact N-O 2.98Å; E207-Y233 PolarHBondContact O-N 2.72Å; E207-Y233 VanDerWaalsContact O-N 3.14Å; Y233-G263 WeakPolarHBondContact CD2-O 3.01Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 HydrophobicContact CD2-CE2 4.08Å; Y233-H287 WeakPolarHBondContact CA-NE2 3.22Å; Y233-H287 PolarHBondContact N-NE2 3.2Å; Y233-H287 PolarHBondContact O-CE1 2.91Å; Y233-H287 PolarHBondContact O-NE2 3.09Å; Y233-H287 VanDerWaalsContact O-NE2 3.14Å |
| 234 | P | 95.2 | Very high | 97.4 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 12% | 0.123 | 17% | 0.17 | C | C | . | . | S | Bend | cis | -69 | -179.6 | 1.8 | 29.9 | -37 | 0 | 0 | 0 | 113.2 | D54 F232 E236 H287 E288 | D54-P234 VanDerWaalsContact OD2-CB 3.28Å; D54-P234 WeakPolarHBondContact OD2-CB 3.13Å; F232-P234 WeakPolarHBondContact CD2-O 3.36Å; P234-E236 VanDerWaalsContact C-N 3.33Å; P234-H287 WeakPolarHBondContact CA-NE2 3.43Å; P234-H287 WeakPolarHBondContact CD-NE2 3.33Å; P234-H287 PolarHBondContact O-NE2 2.98Å; P234-E288 HydrophobicContact CG-CB 4.28Å |
| 235 | A | 96.4 | Very high | 97.1 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 12% | 0.124 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -72.7 | -22.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D54 I237 T257 F265 | D54-A235 HydrophobicContact CB-CB 4.35Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 WeakPolarHBondContact OD1-CB 3.25Å; D54-A235 WeakPolarHBondContact OD2-CB 3.31Å; D54-A235 PolarHBondContact OD2-N 3.17Å; A235-I237 PolarHBondContact O-N 3.2Å; A235-T257 HydrophobicContact CB-CG2 4.36Å; A235-T257 WeakPolarHBondContact O-CG2 3.44Å; A235-F265 HydrophobicContact CB-CD1 3.77Å; A235-F265 HydrophobicContact CB-CD2 3.73Å; A235-F265 HydrophobicContact CB-CE1 3.79Å; A235-F265 HydrophobicContact CB-CE2 3.76Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.8Å |
| 236 | E | 95.6 | Very high | 97 | Very high | 143 Ų | 143 | 41.6 Ų | 41.6 | 67% | 0.668 | 22% | 0.22 | S | C | * | . | trans | -67.1 | 117.7 | -179.5 | -172.8 | 50.9 | -131.1 | 0 | 0 | 110.6 | P234 H287 | P234-E236 VanDerWaalsContact C-N 3.33Å; E236-H287 PolarHBondContact O-CD2 2.72Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å | ||
| 237 | I | 96.7 | Very high | 96.9 | Very high | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.046 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 135 | -175.7 | -166.5 | 167.9 | 0 | 0 | 0 | 110.6 | P209 A229 F232 A235 L239 K267 V285 Q286 H287 | P209-I237 HydrophobicContact CB-CD1 4.08Å; P209-I237 HydrophobicContact CG-CD1 4.18Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.33Å; F232-I237 HydrophobicContact CD2-CD1 3.95Å; F232-I237 HydrophobicContact CE1-CD1 3.75Å; F232-I237 HydrophobicContact CE1-CG2 4.48Å; F232-I237 HydrophobicContact CE2-CB 3.78Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.41Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.16Å; F232-I237 HydrophobicContact CZ-CD1 3.78Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; A235-I237 PolarHBondContact O-N 3.2Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.61Å; I237-L239 HydrophobicContact CG2-CD1 4.29Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; I237-V285 HydrophobicContact CD1-CG1 4.03Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; I237-Q286 WeakPolarHBondContact CG1-O 3.28Å; I237-H287 HydrophobicContact CD1-CB 4.1Å; I237-H287 HydrophobicContact CG1-CB 3.98Å |
| 238 | T | 97.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 45.1 Ų | 45.1 | 37% | 0.368 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 120.9 | 173.4 | -67.5 | 0 | 0 | 0 | 0 | 110.1 | T240 V285 Q286 | T238-T240 HydrophobicContact CG2-CG2 3.99Å; T238-V285 WeakPolarHBondContact O-CA 3.44Å; T238-Q286 PolarHBondContact N-O 3.41Å; T238-Q286 PolarHBondContact O-N 3.47Å |
| 239 | L | 97.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122 | 170.1 | -90.4 | 62.4 | 0 | 0 | 0 | 108.2 | A229 I237 L254 K267 A269 H284 V285 | A229-L239 HydrophobicContact CB-CD1 3.98Å; A229-L239 HydrophobicContact CB-CD2 4.23Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.61Å; I237-L239 HydrophobicContact CG2-CD1 4.29Å; L239-L254 HydrophobicContact CB-CD1 4.13Å; L239-K267 HydrophobicContact CD1-CD 4.36Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; L239-H284 WeakPolarHBondContact CA-O 3.14Å; L239-V285 HydrophobicContact CD1-CG1 4Å; L239-V285 HydrophobicContact CD1-CG2 4.38Å; L239-V285 HydrophobicContact CG-CG2 4.26Å |
| 240 | T | 97.8 | Very high | 95.9 | Very high | 39 Ų | 39 | 57 Ų | 57 | 24% | 0.239 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 151.4 | 175 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | T238 C283 H284 | T238-T240 HydrophobicContact CG2-CG2 3.99Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.07Å; T240-H284 PolarHBondContact N-O 3.39Å; T240-H284 PolarHBondContact O-N 3.15Å |
| 241 | W | 98.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.8 | 169 | -83.3 | 104 | 0 | 0 | 0 | 110.1 | V213 L225 C227 Q248 A269 V271 T282 C283 | V213-W241 HydrophobicContact CG1-CH2 3.84Å; V213-W241 HydrophobicContact CG1-CZ2 4.28Å; V213-W241 HydrophobicContact CG2-CH2 4.25Å; L225-W241 HydrophobicContact CB-CH2 3.66Å; L225-W241 HydrophobicContact CB-CZ2 3.77Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 3.96Å; L225-W241 HydrophobicContact CD1-CZ3 4.15Å; L225-W241 HydrophobicContact CG-CH2 4.46Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; W241-Q248 HydrophobicContact CB-CB 4.31Å; W241-Q248 PolarHBondContact O-N 2.87Å; W241-A269 PolarHBondContact NE1-O 2.93Å; W241-V271 HydrophobicContact CB-CG1 3.71Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4.02Å; W241-V271 HydrophobicContact CG-CB 4.41Å; W241-V271 HydrophobicContact CG-CG1 3.67Å; W241-V271 HydrophobicContact CG-CG2 3.84Å; W241-V271 HydrophobicContact CZ2-CG2 4.27Å; W241-T282 WeakPolarHBondContact CA-O 3.37Å; W241-C283 HydrophobicContact CD2-CB 4.09Å; W241-C283 HydrophobicContact CE3-CB 4.06Å; W241-C283 HydrophobicContact CH2-CB 4.02Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.02Å |
| 242 | Q | 98 | Very high | 95.4 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 19% | 0.187 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 148.8 | 171.2 | -72.6 | -175.5 | -4.9 | 0 | 0 | 110.6 | E246 D247 Y281 T282 | Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.5Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.42Å; Q242-D247 PolarHBondContact NE2-OD1 3.16Å; Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.22Å; Q242-T282 PolarHBondContact N-O 2.98Å; Q242-T282 PolarHBondContact O-N 3.21Å |
| 243 | R | 97.5 | Very high | 95.4 | Very high | 71 Ų | 71 | 65.9 Ų | 65.9 | 27% | 0.268 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116.7 | 168.8 | -174.8 | -171.2 | -172.3 | 178.5 | 1.7 | 108 | G245 E246 Q248 E277 R280 Y281 | R243-G245 PolarHBondContact O-N 3.31Å; R243-E246 PolarHBondContact N-O 3.19Å; R243-E246 PolarHBondContact O-N 3.44Å; R243-Q248 HydrophobicContact CB-CG 3.95Å; R243-E277 IonicContact CZ-OE2 3.54Å; R243-E277 IonicContact NE-OE2 2.71Å; R243-E277 IonicContact NH2-OE1 3.61Å; R243-E277 IonicContact NH2-OE2 2.69Å; R243-E277 PolarHBondContact NH2-OE2 2.66Å; R243-R280 WeakPolarHBondContact CA-O 3.47Å; R243-R280 HydrophobicContact CG-CB 4.35Å; R243-Y281 HydrophobicContact CB-CD1 4.03Å; R243-Y281 HydrophobicContact CB-CE1 3.84Å; R243-Y281 WeakPolarHBondContact CD-OH 3.36Å; R243-Y281 HydrophobicContact CG-CD1 4.34Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 3.96Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å; R243-Y281 PolarHBondContact NE-OH 3.36Å |
| 244 | D | 95.8 | Very high | 95.4 | Very high | 103 Ų | 103 | 70 Ų | 70 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 22.5 | -174.6 | -52.4 | -56.3 | 0 | 0 | 0 | 115.1 | R280 | D244-R280 PolarHBondContact N-O 3.28Å; D244-R280 WeakPolarHBondContact OD1-CB 3.4Å; D244-R280 IonicContact OD1-NE 3.62Å; D244-R280 PolarHBondContact OD1-NE 3.03Å; D244-R280 IonicContact OD2-CZ 3.61Å; D244-R280 IonicContact OD2-NE 3.39Å; D244-R280 PolarHBondContact OD2-NE 3.5Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 3.22Å |
| 245 | G | 92.3 | Very high | 95.5 | Very high | 48 Ų | 48 | 70.8 Ų | 70.8 | 50% | 0.495 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.2 | -1.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R243 | R243-G245 PolarHBondContact O-N 3.31Š|
| 246 | E | 95.9 | Very high | 95.5 | Very high | 147 Ų | 147 | 78.4 Ų | 78.4 | 69% | 0.687 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.5 | 175.8 | -62.3 | -173.2 | 165.5 | 0 | 0 | 111.6 | Q242 R243 Q248 | Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.5Å; R243-E246 PolarHBondContact N-O 3.19Å; R243-E246 PolarHBondContact O-N 3.44Å; E246-Q248 PolarHBondContact O-NE2 2.88Å |
| 247 | D | 95.6 | Very high | 95.6 | Very high | 98 Ų | 98 | 73.7 Ų | 73.7 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 133.2 | -179 | -66.9 | -32.7 | 0 | 0 | 0 | 112.6 | Q242 | Q242-D247 WeakPolarHBondContact CG-OD1 3.42Å; Q242-D247 PolarHBondContact NE2-OD1 3.16Å |
| 248 | Q | 95.4 | Very high | 95.7 | Very high | 25 Ų | 25 | 78.1 Ų | 78.1 | 12% | 0.117 | 41% | 0.405 | C | S | . | . | trans | -103 | 32.7 | -175.7 | -55.6 | -62.2 | -81.2 | 0 | 0 | 112.5 | W241 R243 E246 Q250 D251 T252 V271 Y281 | W241-Q248 HydrophobicContact CB-CB 4.31Å; W241-Q248 PolarHBondContact O-N 2.87Å; R243-Q248 HydrophobicContact CB-CG 3.95Å; E246-Q248 PolarHBondContact O-NE2 2.88Å; Q248-Q250 VanDerWaalsContact C-N 3.28Å; Q248-Q250 PolarHBondContact O-N 3.01Å; Q248-Q250 VanDerWaalsContact O-N 3.14Å; Q248-D251 PolarHBondContact O-N 2.95Å; Q248-D251 VanDerWaalsContact O-N 3.09Å; Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 2.85Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 2.7Å; Q248-V271 HydrophobicContact CB-CG1 4.39Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å | ||
| 249 | T | 89.9 | Confident | 95.7 | Very high | 104 Ų | 104 | 79.5 Ų | 79.5 | 64% | 0.638 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31 | -167.1 | -49.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 250 | Q | 89.9 | Confident | 95.6 | Very high | 193 Ų | 193 | 81.6 Ų | 81.6 | 90% | 0.902 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -30.2 | 179 | -64.9 | -172.9 | 6 | 0 | 0 | 113.1 | Q248 | Q248-Q250 VanDerWaalsContact C-N 3.28Å; Q248-Q250 PolarHBondContact O-N 3.01Å; Q248-Q250 VanDerWaalsContact O-N 3.14Å |
| 251 | D | 89.1 | Confident | 95.4 | Very high | 120 Ų | 120 | 83.3 Ų | 83.3 | 64% | 0.642 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 4.4 | -178.7 | -55.3 | -64 | 0 | 0 | 0 | 112.5 | Q248 | Q248-D251 PolarHBondContact O-N 2.95Å; Q248-D251 VanDerWaalsContact O-N 3.09Å |
| 252 | T | 95.5 | Very high | 95.2 | Very high | 25 Ų | 25 | 88.7 Ų | 88.7 | 15% | 0.153 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 118.3 | 179.8 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | Q248 L254 A269 A270 V271 | Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 2.85Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 2.7Å; T252-L254 HydrophobicContact CG2-CB 4.36Å; T252-L254 PolarHBondContact O-N 2.87Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.38Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å; T252-V271 HydrophobicContact CG2-CG1 4.39Å; T252-V271 VanDerWaalsContact OG1-CG1 3.29Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.22Å |
| 253 | E | 97 | Very high | 94.9 | Very high | 114 Ų | 114 | 88.8 Ų | 88.8 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 102.7 | 163.1 | -174.3 | -172.9 | -162.2 | 0 | 0 | 109 | W268 A269 A270 | E253-W268 HydrophobicContact CB-CZ3 4.28Å; E253-W268 HydrophobicContact CG-CH2 3.96Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 VanDerWaalsContact OE2-CH2 3.3Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.44Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.33Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.39Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 2.76Å; E253-A270 PolarHBondContact O-N 3.23Å |
| 254 | L | 96.9 | Very high | 94.8 | Very high | 90 Ų | 90 | 85.8 Ų | 85.8 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 120.4 | 178.2 | -175.4 | 68.6 | 0 | 0 | 0 | 110.2 | L239 T252 K267 A269 | L239-L254 HydrophobicContact CB-CD1 4.13Å; T252-L254 HydrophobicContact CG2-CB 4.36Å; T252-L254 PolarHBondContact O-N 2.87Å; L254-K267 HydrophobicContact CD1-CD 4.49Å; L254-A269 HydrophobicContact CD1-CB 3.67Å |
| 255 | V | 96.9 | Very high | 94.9 | Very high | 35 Ų | 35 | 82.1 Ų | 82.1 | 21% | 0.212 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 153.3 | 174.9 | -64 | 0 | 0 | 0 | 0 | 112.5 | K267 W268 | V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.45Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 2.8Å; V255-W268 HydrophobicContact CG1-CD2 4.03Å; V255-W268 VanDerWaalsContact CG1-CE2 3.46Å; V255-W268 HydrophobicContact CG1-CE3 4.35Å; V255-W268 HydrophobicContact CG1-CH2 3.75Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.22Å; V255-W268 HydrophobicContact CG2-CD2 3.86Å; V255-W268 HydrophobicContact CG2-CG 3.78Å; V255-W268 WeakPolarHBondContact CG2-O 3.26Å; V255-W268 PolarHBondContact N-O 3.33Å |
| 256 | E | 96.9 | Very high | 95.2 | Very high | 174 Ų | 174 | 81.8 Ų | 81.8 | 81% | 0.813 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 148.2 | 165.9 | -67.8 | -177 | 170.6 | 0 | 0 | 111.2 | R258 | E256-R258 PolarHBondContact O-N 3.47Š|
| 257 | T | 97.9 | Very high | 95.3 | Very high | 45 Ų | 45 | 75.8 Ų | 75.8 | 28% | 0.276 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 129.1 | 174.6 | -55.1 | 0 | 0 | 0 | 0 | 108.4 | F232 A235 F265 K267 | F232-T257 HydrophobicContact CE2-CG2 4.03Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; A235-T257 HydrophobicContact CB-CG2 4.36Å; A235-T257 WeakPolarHBondContact O-CG2 3.44Å; T257-F265 HydrophobicContact CG2-CB 3.84Å; T257-F265 HydrophobicContact CG2-CD1 4.01Å; T257-F265 HydrophobicContact CG2-CG 4.21Å; T257-K267 WeakPolarHBondContact OG1-CD 3.37Å; T257-K267 PolarHBondContact OG1-NZ 2.04Å |
| 258 | R | 97.4 | Very high | 95.5 | Very high | 102 Ų | 102 | 72.3 Ų | 72.3 | 39% | 0.385 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144.9 | -174.9 | 70.4 | -166.1 | -177 | -175.1 | 3.3 | 111.2 | E256 Q266 | E256-R258 PolarHBondContact O-N 3.47Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 3.2Å; R258-Q266 VanDerWaalsContact O-CG 3.29Å; R258-Q266 WeakPolarHBondContact O-CG 3.4Å; R258-Q266 PolarHBondContact O-N 3.42Å |
| 259 | P | 97.3 | Very high | 95.6 | Very high | 89 Ų | 89 | 71.1 Ų | 71.1 | 58% | 0.578 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 149.7 | 177.2 | 27.8 | -34.7 | 0 | 0 | 0 | 111.4 | F265 Q266 | P259-F265 HydrophobicContact CB-CD1 4.43Å; P259-F265 HydrophobicContact CB-CE1 4.17Å; P259-Q266 PolarHBondContact O-NE2 3.02Å |
| 260 | A | 96.7 | Very high | 96 | Very high | 50 Ų | 50 | 66.3 Ų | 66.3 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | trans | -89.6 | -21.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D262 T264 Q266 | A260-D262 WeakPolarHBondContact CB-OD1 3.47Å; A260-T264 WeakPolarHBondContact CB-O 3.29Å; A260-T264 PolarHBondContact N-O 3.3Å; A260-Q266 HydrophobicContact CB-CG 4.46Å | ||
| 261 | G | 93.3 | Very high | 96.4 | Very high | 75 Ų | 75 | 57.2 Ų | 57.2 | 77% | 0.773 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 98.8 | -5.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 262 | D | 92.9 | Very high | 96.8 | Very high | 114 Ų | 114 | 55.3 Ų | 55.3 | 61% | 0.61 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -103.1 | 9.6 | 175.6 | 58.4 | 4.7 | 0 | 0 | 0 | 113.1 | A260 T264 | A260-D262 WeakPolarHBondContact CB-OD1 3.47Å; D262-T264 WeakPolarHBondContact OD1-CB 3.22Å; D262-T264 PolarHBondContact OD1-N 2.74Å; D262-T264 PolarHBondContact OD1-OG1 3.04Å |
| 263 | G | 91.8 | Very high | 96.8 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 91.4 | -2.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y233 | Y233-G263 WeakPolarHBondContact CD2-O 3.01Š|
| 264 | T | 96.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | trans | -104 | 171.4 | 174.5 | 74.9 | 0 | 0 | 0 | 0 | 112.6 | G231 F232 A260 D262 | G231-T264 WeakPolarHBondContact CA-OG1 3.33Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.5Å; A260-T264 WeakPolarHBondContact CB-O 3.29Å; A260-T264 PolarHBondContact N-O 3.3Å; D262-T264 WeakPolarHBondContact OD1-CB 3.22Å; D262-T264 PolarHBondContact OD1-N 2.74Å; D262-T264 PolarHBondContact OD1-OG1 3.04Å | ||
| 265 | F | 98.1 | Very high | 96.6 | Very high | 26 Ų | 26 | 49.4 Ų | 49.4 | 11% | 0.114 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 164.1 | -177.3 | -65.6 | -84.8 | 0 | 0 | 0 | 112.7 | D54 G231 F232 Y233 A235 T257 P259 | D54-F265 HydrophobicContact CB-CE2 3.72Å; D54-F265 HydrophobicContact CB-CZ 3.73Å; G231-F265 PolarHBondContact N-O 3.17Å; F232-F265 WeakPolarHBondContact CD1-O 3.25Å; F232-F265 HydrophobicContact CD2-CB 3.9Å; F232-F265 HydrophobicContact CE1-CB 4.33Å; F232-F265 WeakPolarHBondContact CE1-O 3.46Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.68Å; F232-F265 PolarHBondContact N-O 2.84Å; F232-F265 PolarHBondContact O-N 2.82Å; Y233-F265 HydrophobicContact CD2-CD2 4.47Å; Y233-F265 HydrophobicContact CD2-CE2 4.08Å; A235-F265 HydrophobicContact CB-CD1 3.77Å; A235-F265 HydrophobicContact CB-CD2 3.73Å; A235-F265 HydrophobicContact CB-CE1 3.79Å; A235-F265 HydrophobicContact CB-CE2 3.76Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.8Å; T257-F265 HydrophobicContact CG2-CB 3.84Å; T257-F265 HydrophobicContact CG2-CD1 4.01Å; T257-F265 HydrophobicContact CG2-CG 4.21Å; P259-F265 HydrophobicContact CB-CD1 4.43Å; P259-F265 HydrophobicContact CB-CE1 4.17Å |
| 266 | Q | 98.3 | Very high | 96.4 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 144 | 176.8 | 38.6 | 162.8 | -22.9 | 0 | 0 | 110.1 | A229 L230 R258 P259 A260 | A229-Q266 VanDerWaalsContact O-CA 3.32Å; A229-Q266 WeakPolarHBondContact O-CA 3.5Å; L230-Q266 HydrophobicContact CD2-CB 3.6Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 3.2Å; R258-Q266 VanDerWaalsContact O-CG 3.29Å; R258-Q266 WeakPolarHBondContact O-CG 3.4Å; R258-Q266 PolarHBondContact O-N 3.42Å; P259-Q266 PolarHBondContact O-NE2 3.02Å; A260-Q266 HydrophobicContact CB-CG 4.46Å |
| 267 | K | 98.6 | Very high | 96.3 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 157.3 | 177.3 | -160.9 | -176.7 | -169.2 | 66.4 | 0 | 109.2 | A229 F232 I237 L239 L254 V255 T257 | A229-K267 PolarHBondContact N-O 3.35Å; A229-K267 PolarHBondContact O-N 3.28Å; A229-K267 VanDerWaalsContact O-O 3.06Å; F232-K267 HydrophobicContact CE1-CB 4.42Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.54Å; L239-K267 HydrophobicContact CD1-CD 4.36Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L254-K267 HydrophobicContact CD1-CD 4.49Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.45Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 2.8Å; T257-K267 WeakPolarHBondContact OG1-CD 3.37Å; T257-K267 PolarHBondContact OG1-NZ 2.04Å |
| 268 | W | 98.4 | Very high | 96.2 | Very high | 25 Ų | 25 | 44 Ų | 44 | 10% | 0.095 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 156.9 | 168 | 58.4 | -96.4 | 0 | 0 | 0 | 111.7 | R226 C227 W228 E253 V255 A270 | R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.02Å; R226-W268 HydrophobicContact CG-CE3 3.77Å; R226-W268 HydrophobicContact CG-CG 4.16Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.05Å; C227-W268 WeakPolarHBondContact O-CB 3.39Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.85Å; W228-W268 AromaticContact CE3-CD1 3.76Å; W228-W268 HydrophobicContact CE3-CG 4.1Å; W228-W268 HydrophobicContact CG-CB 4.36Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 AromaticContact CH2-NE1 3.98Å; W228-W268 HydrophobicContact CZ3-CB 4.3Å; W228-W268 AromaticContact CZ3-CD1 3.33Å; W228-W268 HydrophobicContact CZ3-CG 4.04Å; E253-W268 HydrophobicContact CB-CZ3 4.28Å; E253-W268 HydrophobicContact CG-CH2 3.96Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 VanDerWaalsContact OE2-CH2 3.3Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.44Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.33Å; V255-W268 HydrophobicContact CG1-CD2 4.03Å; V255-W268 VanDerWaalsContact CG1-CE2 3.46Å; V255-W268 HydrophobicContact CG1-CE3 4.35Å; V255-W268 HydrophobicContact CG1-CH2 3.75Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.22Å; V255-W268 HydrophobicContact CG2-CD2 3.86Å; V255-W268 HydrophobicContact CG2-CG 3.78Å; V255-W268 WeakPolarHBondContact CG2-O 3.26Å; V255-W268 PolarHBondContact N-O 3.33Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å |
| 269 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | R226 C227 L239 W241 T252 E253 L254 | R226-A269 WeakPolarHBondContact CA-O 3.08Å; C227-A269 PolarHBondContact N-O 3.16Å; C227-A269 PolarHBondContact O-N 2.84Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; W241-A269 PolarHBondContact NE1-O 2.93Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.39Å; L254-A269 HydrophobicContact CD1-CB 3.67Å |
| 270 | A | 98.1 | Very high | 96 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 144.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T224 L225 R226 T252 E253 W268 | T224-A270 HydrophobicContact CG2-CB 3.86Å; L225-A270 CarbonylContact O-C 3.58Å; L225-A270 WeakPolarHBondContact O-CA 3.4Å; R226-A270 HydrophobicContact CB-CB 3.91Å; R226-A270 HydrophobicContact CG-CB 4.11Å; T252-A270 CarbonylContact C-O 3.38Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 2.76Å; E253-A270 PolarHBondContact O-N 3.23Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å |
| 271 | V | 97.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 145 | 174.1 | -74 | 0 | 0 | 0 | 0 | 109.6 | T224 L225 W241 Q248 T252 V273 Y281 | T224-V271 WeakPolarHBondContact CA-O 3.15Å; L225-V271 HydrophobicContact CB-CG2 4.22Å; L225-V271 PolarHBondContact N-O 2.74Å; L225-V271 PolarHBondContact O-N 2.9Å; W241-V271 HydrophobicContact CB-CG1 3.71Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4.02Å; W241-V271 HydrophobicContact CG-CB 4.41Å; W241-V271 HydrophobicContact CG-CG1 3.67Å; W241-V271 HydrophobicContact CG-CG2 3.84Å; W241-V271 HydrophobicContact CZ2-CG2 4.27Å; Q248-V271 HydrophobicContact CB-CG1 4.39Å; T252-V271 HydrophobicContact CG2-CG1 4.39Å; T252-V271 VanDerWaalsContact OG1-CG1 3.29Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.22Å; V271-V273 HydrophobicContact CB-CG1 4.4Å; V271-V273 HydrophobicContact CG2-CG1 3.78Å; V271-Y281 HydrophobicContact CG2-CD1 4.13Å |
| 272 | V | 97.5 | Very high | 96.3 | Very high | 79 Ų | 79 | 38.7 Ų | 38.7 | 48% | 0.479 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 129.5 | 167.1 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | E222 | E222-V272 HydrophobicContact CB-CG1 4.06Å; E222-V272 HydrophobicContact CG-CG1 4.29Å |
| 273 | V | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.5 | -176.3 | -51.1 | 0 | 0 | 0 | 0 | 110.4 | E222 A223 L225 V271 E278 Y281 | E222-V273 WeakPolarHBondContact CA-O 3.28Å; A223-V273 PolarHBondContact N-O 2.68Å; A223-V273 PolarHBondContact O-N 3.42Å; L225-V273 HydrophobicContact CD1-CG1 4.04Å; L225-V273 HydrophobicContact CD1-CG2 4.12Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CB-CG1 4.4Å; V271-V273 HydrophobicContact CG2-CG1 3.78Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 3.97Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.77Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.7Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å |
| 274 | P | 96.4 | Very high | 96.9 | Very high | 47 Ų | 47 | 33.5 Ų | 33.5 | 31% | 0.305 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 140.7 | 171 | -20.2 | 32.3 | 0 | 0 | 0 | 111.4 | H221 G276 E277 | H221-P274 CarbonylContact O-C 3.6Å; H221-P274 WeakPolarHBondContact O-CA 3.5Å; P274-G276 PolarHBondContact O-N 2.99Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.49Å; P274-E277 WeakPolarHBondContact O-CB 3.39Å; P274-E277 PolarHBondContact O-N 2.97Å |
| 275 | S | 92.8 | Very high | 96.9 | Very high | 58 Ų | 58 | 33.1 Ų | 33.1 | 41% | 0.406 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 129.3 | 177.6 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | H221 E222 E277 E278 | H221-S275 PolarHBondContact O-N 3.48Å; H221-S275 PolarHBondContact O-OG 2.77Å; E222-S275 PolarHBondContact N-OG 3.29Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-E278 WeakPolarHBondContact CA-OE1 3.41Å |
| 276 | G | 91.7 | Very high | 96.9 | Very high | 66 Ų | 66 | 35.8 Ų | 35.8 | 68% | 0.68 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | -6.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P274 E278 | P274-G276 PolarHBondContact O-N 2.99Å; G276-E278 WeakPolarHBondContact CA-OE2 3.04Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.49Å; G276-E278 PolarHBondContact N-OE2 2.93Å; G276-E278 VanDerWaalsContact N-OE2 3.08Å |
| 277 | E | 95.6 | Very high | 96.8 | Very high | 54 Ų | 54 | 34 Ų | 34 | 25% | 0.252 | 19% | 0.187 | S | C | . | . | trans | -98.3 | 1.3 | 174.7 | -68.8 | -156.8 | -155 | 0 | 0 | 113.9 | R243 P274 S275 Q279 R280 Y281 | R243-E277 IonicContact CZ-OE2 3.54Å; R243-E277 IonicContact NE-OE2 2.71Å; R243-E277 IonicContact NH2-OE1 3.61Å; R243-E277 IonicContact NH2-OE2 2.69Å; R243-E277 PolarHBondContact NH2-OE2 2.66Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.49Å; P274-E277 WeakPolarHBondContact O-CB 3.39Å; P274-E277 PolarHBondContact O-N 2.97Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 3.42Å; E277-R280 VanDerWaalsContact CD-NH1 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 3.46Å; E277-R280 IonicContact OE1-NH1 3.53Å; E277-R280 WeakPolarHBondContact OE2-CD 3.03Å; E277-R280 IonicContact OE2-CZ 3.77Å; E277-R280 IonicContact OE2-NE 3.95Å; E277-R280 IonicContact OE2-NH1 2.67Å; E277-R280 PolarHBondContact OE2-NH1 2.88Å; E277-Y281 HydrophobicContact CB-CE2 4.36Å; E277-Y281 WeakPolarHBondContact O-CD2 3.42Å | ||
| 278 | E | 95.1 | Very high | 96.4 | Very high | 21 Ų | 21 | 36.7 Ų | 36.7 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -56.8 | -30.9 | -169.8 | -54.4 | 81.1 | -176 | 0 | 0 | 113.1 | L225 V273 S275 G276 R280 Y281 W298 | L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.45Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.41Å; G276-E278 WeakPolarHBondContact CA-OE2 3.04Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.49Å; G276-E278 PolarHBondContact N-OE2 2.93Å; G276-E278 VanDerWaalsContact N-OE2 3.08Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 2.97Å; E278-Y281 PolarHBondContact O-N 2.85Å; E278-W298 HydrophobicContact CB-CE3 3.47Å; E278-W298 VanDerWaalsContact CB-CE3 3.47Å; E278-W298 HydrophobicContact CB-CZ3 3.89Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å |
| 279 | Q | 95.3 | Very high | 96.1 | Very high | 89 Ų | 89 | 36.1 Ų | 36.1 | 42% | 0.416 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -74.9 | -13 | 179.6 | -62.5 | -57.7 | -45.7 | 0 | 0 | 114.5 | E277 Y281 W298 | E277-Q279 PolarHBondContact O-N 3.42Å; Q279-Y281 VanDerWaalsContact C-N 3.28Å; Q279-W298 PolarHBondContact NE2-O 2.72Å |
| 280 | R | 96.9 | Very high | 95.9 | Very high | 98 Ų | 98 | 36.6 Ų | 36.6 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -76.9 | -18.6 | 171.2 | -62.6 | 174.1 | 69.1 | 176.3 | 4.8 | 112 | R243 D244 E277 E278 | R243-R280 WeakPolarHBondContact CA-O 3.47Å; R243-R280 HydrophobicContact CG-CB 4.35Å; D244-R280 PolarHBondContact N-O 3.28Å; D244-R280 WeakPolarHBondContact OD1-CB 3.4Å; D244-R280 IonicContact OD1-NE 3.62Å; D244-R280 PolarHBondContact OD1-NE 3.03Å; D244-R280 IonicContact OD2-CZ 3.61Å; D244-R280 IonicContact OD2-NE 3.39Å; D244-R280 PolarHBondContact OD2-NE 3.5Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 3.22Å; E277-R280 VanDerWaalsContact CD-NH1 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.36Å; E277-R280 PolarHBondContact O-N 3.46Å; E277-R280 IonicContact OE1-NH1 3.53Å; E277-R280 WeakPolarHBondContact OE2-CD 3.03Å; E277-R280 IonicContact OE2-CZ 3.77Å; E277-R280 IonicContact OE2-NE 3.95Å; E277-R280 IonicContact OE2-NH1 2.67Å; E277-R280 PolarHBondContact OE2-NH1 2.88Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 2.97Å |
| 281 | Y | 97.7 | Very high | 95.6 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.1 | -176.5 | -68 | -98.3 | 0 | 0 | 0 | 111.6 | Q242 R243 Q248 V271 V273 E277 E278 Q279 | Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.22Å; R243-Y281 HydrophobicContact CB-CD1 4.03Å; R243-Y281 HydrophobicContact CB-CE1 3.84Å; R243-Y281 WeakPolarHBondContact CD-OH 3.36Å; R243-Y281 HydrophobicContact CG-CD1 4.34Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 3.96Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å; R243-Y281 PolarHBondContact NE-OH 3.36Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å; V271-Y281 HydrophobicContact CG2-CD1 4.13Å; V273-Y281 HydrophobicContact CB-CD2 3.97Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.77Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.7Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.36Å; E277-Y281 WeakPolarHBondContact O-CD2 3.42Å; E278-Y281 PolarHBondContact O-N 2.85Å; Q279-Y281 VanDerWaalsContact C-N 3.28Å |
| 282 | T | 98.1 | Very high | 95.3 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.3 | 175.2 | 44.4 | 0 | 0 | 0 | 0 | 110.8 | W241 Q242 T295 L296 R297 | W241-T282 WeakPolarHBondContact CA-O 3.37Å; Q242-T282 PolarHBondContact N-O 2.98Å; Q242-T282 PolarHBondContact O-N 3.21Å; T282-T295 HydrophobicContact CG2-CG2 3.86Å; T282-L296 CarbonylContact C-O 3.51Å; T282-L296 WeakPolarHBondContact CA-O 3.38Å; T282-R297 HydrophobicContact CG2-CG 3.68Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å |
| 283 | C | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 131 | 167.9 | 174.2 | 0 | 0 | 0 | 0 | 109.2 | C227 T240 W241 T295 L296 | C227-C283 HydrophobicContact CB-CB 3.49Å; C227-C283 VanDerWaalsContact CB-CB 3.49Å; C227-C283 WeakPolarHBondContact CB-SG 3.46Å; C227-C283 WeakPolarHBondContact SG-CB 3.23Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.91Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.07Å; W241-C283 HydrophobicContact CD2-CB 4.09Å; W241-C283 HydrophobicContact CE3-CB 4.06Å; W241-C283 HydrophobicContact CH2-CB 4.02Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.02Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.49Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.01Å; C283-L296 PolarHBondContact O-N 3.27Å |
| 284 | H | 97.9 | Very high | 95.2 | Very high | 48 Ų | 48 | 51.2 Ų | 51.2 | 22% | 0.222 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.2 | 174.4 | -61.2 | -96.4 | 0 | 0 | 0 | 110 | L239 T240 L294 T295 | L239-H284 WeakPolarHBondContact CA-O 3.14Å; T240-H284 PolarHBondContact N-O 3.39Å; T240-H284 PolarHBondContact O-N 3.15Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.37Å; H284-T295 PolarHBondContact CE1-OG1 3.4Å; H284-T295 PolarHBondContact ND1-OG1 3.37Å; H284-T295 VanDerWaalsContact ND1-OG1 3.1Å; H284-T295 WeakPolarHBondContact NE2-CG2 3.49Å; H284-T295 PolarHBondContact NE2-OG1 3.23Å; H284-T295 VanDerWaalsContact NE2-OG1 3.14Å |
| 285 | V | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 123.3 | -177.8 | -175 | 0 | 0 | 0 | 0 | 109.9 | P209 T211 I237 T238 L239 L290 P293 L294 L296 | P209-V285 HydrophobicContact CG-CG1 3.93Å; T211-V285 HydrophobicContact CG2-CB 4.41Å; T211-V285 HydrophobicContact CG2-CG1 4.13Å; T211-V285 HydrophobicContact CG2-CG2 4.04Å; I237-V285 HydrophobicContact CD1-CG1 4.03Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; T238-V285 WeakPolarHBondContact O-CA 3.44Å; L239-V285 HydrophobicContact CD1-CG1 4Å; L239-V285 HydrophobicContact CD1-CG2 4.38Å; L239-V285 HydrophobicContact CG-CG2 4.26Å; V285-L290 HydrophobicContact CG1-CD1 4.16Å; V285-P293 WeakPolarHBondContact O-CA 3.47Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 2.89Å; V285-L294 PolarHBondContact O-N 3.38Å; V285-L296 HydrophobicContact CG2-CD1 3.95Å |
| 286 | Q | 97.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 51.4 Ų | 51.4 | 38% | 0.379 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.3 | 175.2 | -51.7 | -179.3 | 17.2 | 0 | 0 | 108.9 | I237 T238 P293 | I237-Q286 WeakPolarHBondContact CG1-O 3.28Å; T238-Q286 PolarHBondContact N-O 3.41Å; T238-Q286 PolarHBondContact O-N 3.47Å; Q286-P293 HydrophobicContact CG-CB 4.01Å; Q286-P293 HydrophobicContact CG-CG 4.09Å |
| 287 | H | 95.5 | Very high | 95.7 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.019 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 137.9 | -173.1 | 176.4 | -95.5 | 0 | 0 | 0 | 109.9 | W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290 | W23-H287 VanDerWaalsContact CH2-C 3.44Å; W23-H287 WeakPolarHBondContact CH2-O 3.45Å; W23-H287 WeakPolarHBondContact CZ3-O 3.43Å; E207-H287 PolarHBondContact N-CE1 2.86Å; E207-H287 PolarHBondContact O-CE1 3.21Å; P209-H287 HydrophobicContact CG-CB 4.06Å; F232-H287 AromaticContact CD2-CD2 3.7Å; F232-H287 AromaticContact CD2-NE2 3.55Å; Y233-H287 WeakPolarHBondContact CA-NE2 3.22Å; Y233-H287 PolarHBondContact N-NE2 3.2Å; Y233-H287 PolarHBondContact O-CE1 2.91Å; Y233-H287 PolarHBondContact O-NE2 3.09Å; Y233-H287 VanDerWaalsContact O-NE2 3.14Å; P234-H287 WeakPolarHBondContact CA-NE2 3.43Å; P234-H287 WeakPolarHBondContact CD-NE2 3.33Å; P234-H287 PolarHBondContact O-NE2 2.98Å; E236-H287 PolarHBondContact O-CD2 2.72Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å; I237-H287 HydrophobicContact CD1-CB 4.1Å; I237-H287 HydrophobicContact CG1-CB 3.98Å; H287-G289 PolarHBondContact CE1-N 3.39Å; H287-G289 PolarHBondContact ND1-N 3.47Å; H287-G289 PolarHBondContact O-N 2.95Å; H287-L290 HydrophobicContact CB-CD1 4.06Å; H287-L290 HydrophobicContact CB-CG 4.29Å; H287-L290 WeakPolarHBondContact O-CB 3.3Å; H287-L290 PolarHBondContact O-N 2.8Å |
| 288 | E | 91.6 | Very high | 95.7 | Very high | 78 Ų | 78 | 54.6 Ų | 54.6 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -28.3 | -170.8 | -165.9 | 178.7 | 139.1 | 0 | 0 | 115.4 | W23 C25 P234 | W23-E288 HydrophobicContact CE3-CB 4.48Å; W23-E288 HydrophobicContact CE3-CG 4.27Å; W23-E288 WeakPolarHBondContact CZ3-O 3.28Å; C25-E288 PolarHBondContact SG-OE1 3.13Å; P234-E288 HydrophobicContact CG-CB 4.28Å |
| 289 | G | 91.4 | Very high | 95.5 | Very high | 13 Ų | 13 | 61.5 Ų | 61.5 | 13% | 0.134 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -38.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A206 H208 H287 | A206-G289 VanDerWaalsContact CB-CA 3.5Å; H208-G289 VanDerWaalsContact CE1-C 3.49Å; H208-G289 PolarHBondContact CE1-O 3.1Å; H208-G289 PolarHBondContact ND1-O 3.46Å; H287-G289 PolarHBondContact CE1-N 3.39Å; H287-G289 PolarHBondContact ND1-N 3.47Å; H287-G289 PolarHBondContact O-N 2.95Å |
| 290 | L | 93.9 | Very high | 94.8 | Very high | 11 Ų | 11 | 61 Ų | 61 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | trans | -70.6 | 122.4 | -169.6 | -64.9 | 172.2 | 0 | 0 | 0 | 112.3 | W23 H208 P209 V285 H287 E292 L294 | W23-L290 VanDerWaalsContact CH2-O 3.26Å; W23-L290 WeakPolarHBondContact CH2-O 3.36Å; W23-L290 WeakPolarHBondContact CZ3-O 3.32Å; H208-L290 HydrophobicContact CB-CD2 4.1Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.4Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.16Å; H287-L290 HydrophobicContact CB-CD1 4.06Å; H287-L290 HydrophobicContact CB-CG 4.29Å; H287-L290 WeakPolarHBondContact O-CB 3.3Å; H287-L290 PolarHBondContact O-N 2.8Å; L290-E292 PolarHBondContact O-N 2.83Å; L290-L294 HydrophobicContact CD1-CD1 4.04Å; L290-L294 HydrophobicContact CD1-CG 3.92Å; L290-L294 HydrophobicContact CD2-CD1 3.67Å; L290-L294 HydrophobicContact CD2-CD2 4.49Å; L290-L294 HydrophobicContact CD2-CG 3.88Å | ||
| 291 | P | 91.5 | Very high | 93.3 | Very high | 121 Ų | 121 | 61.3 Ų | 61.3 | 79% | 0.786 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -67.1 | -25.6 | 178.9 | 28.6 | -35.7 | 0 | 0 | 0 | 112.9 | ||
| 292 | E | 92.8 | Very high | 91.1 | Very high | 152 Ų | 152 | 66.4 Ų | 66.4 | 71% | 0.71 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -141.9 | 148.1 | 172.5 | -65.8 | -176 | 176.5 | 0 | 0 | 109.1 | L290 L294 | L290-E292 PolarHBondContact O-N 2.83Å; E292-L294 PolarHBondContact O-N 3.06Å |
| 293 | P | 95.3 | Very high | 88.8 | Confident | 56 Ų | 56 | 73.5 Ų | 73.5 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | trans | -54.2 | 132.9 | 173.9 | -28.9 | 37.1 | 0 | 0 | 0 | 113.3 | V285 Q286 | V285-P293 WeakPolarHBondContact O-CA 3.47Å; Q286-P293 HydrophobicContact CG-CB 4.01Å; Q286-P293 HydrophobicContact CG-CG 4.09Å | ||
| 294 | L | 96.9 | Very high | 86.3 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 32% | 0.319 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 134.8 | 175.2 | -64.2 | 178 | 0 | 0 | 0 | 110.4 | T211 H284 V285 L290 E292 | T211-L294 HydrophobicContact CG2-CD1 4.34Å; H284-L294 CarbonylContact C-O 3.57Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.37Å; V285-L294 HydrophobicContact CB-CB 4.36Å; V285-L294 PolarHBondContact N-O 2.89Å; V285-L294 PolarHBondContact O-N 3.38Å; L290-L294 HydrophobicContact CD1-CD1 4.04Å; L290-L294 HydrophobicContact CD1-CG 3.92Å; L290-L294 HydrophobicContact CD2-CD1 3.67Å; L290-L294 HydrophobicContact CD2-CD2 4.49Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; E292-L294 PolarHBondContact O-N 3.06Å |
| 295 | T | 97.7 | Very high | 84.1 | Confident | 75 Ų | 75 | 83 Ų | 83 | 46% | 0.46 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.1 | 169.7 | -55.6 | 0 | 0 | 0 | 0 | 109.1 | T282 C283 H284 | T282-T295 HydrophobicContact CG2-CG2 3.86Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.49Å; H284-T295 PolarHBondContact CE1-OG1 3.4Å; H284-T295 PolarHBondContact ND1-OG1 3.37Å; H284-T295 VanDerWaalsContact ND1-OG1 3.1Å; H284-T295 WeakPolarHBondContact NE2-CG2 3.49Å; H284-T295 PolarHBondContact NE2-OG1 3.23Å; H284-T295 VanDerWaalsContact NE2-OG1 3.14Å |
| 296 | L | 97.1 | Very high | 82.2 | Confident | 34 Ų | 34 | 88.1 Ų | 88.1 | 18% | 0.178 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 144.2 | -172.2 | -61 | 155.9 | 0 | 0 | 0 | 110.2 | T211 V213 T282 C283 V285 | T211-L296 VanDerWaalsContact CB-CD1 3.47Å; T211-L296 HydrophobicContact CG2-CD1 4.13Å; V213-L296 HydrophobicContact CG2-CB 3.97Å; T282-L296 CarbonylContact C-O 3.51Å; T282-L296 WeakPolarHBondContact CA-O 3.38Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.01Å; C283-L296 PolarHBondContact O-N 3.27Å; V285-L296 HydrophobicContact CG2-CD1 3.95Å |
| 297 | R | 96.2 | Very high | 80.4 | Confident | 141 Ų | 141 | 88.5 Ų | 88.5 | 53% | 0.532 | 49% | 0.493 | S | S | . | . | trans | -119.1 | 164.4 | 167 | -69.8 | -173.4 | 175.5 | 168.5 | -1.8 | 109.6 | T282 E299 | T282-R297 HydrophobicContact CG2-CG 3.68Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å; R297-E299 PolarHBondContact O-N 3.46Å | ||
| 298 | W | 95.9 | Very high | 78.8 | Confident | 47 Ų | 47 | 94 Ų | 94 | 18% | 0.178 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 121.6 | 165.6 | 171.2 | 55.6 | 0 | 0 | 0 | 110.1 | V213 H215 L225 E278 Q279 P300 | V213-W298 HydrophobicContact CB-CB 4.44Å; V213-W298 HydrophobicContact CG1-CB 3.79Å; H215-W298 HydrophobicContact CB-CD2 4.03Å; H215-W298 HydrophobicContact CB-CG 4.09Å; H215-W298 HydrophobicContact CB-CZ2 4.03Å; H215-W298 VanDerWaalsContact CB-NE1 3.32Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.94Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.99Å; E278-W298 HydrophobicContact CB-CE3 3.47Å; E278-W298 VanDerWaalsContact CB-CE3 3.47Å; E278-W298 HydrophobicContact CB-CZ3 3.89Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å; Q279-W298 PolarHBondContact NE2-O 2.72Å; W298-P300 HydrophobicContact CD2-CG 4.5Å; W298-P300 HydrophobicContact CE3-CG 4.3Å; W298-P300 HydrophobicContact CH2-CB 4.17Å; W298-P300 HydrophobicContact CH2-CG 3.86Å; W298-P300 HydrophobicContact CZ2-CB 3.97Å; W298-P300 HydrophobicContact CZ2-CG 3.99Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å |
| 299 | E | 89.6 | Confident | 77.5 | Confident | 166 Ų | 166 | 96.2 Ų | 96.2 | 78% | 0.776 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -97.2 | 119.8 | 167.9 | -66.5 | -172.7 | 165.6 | 0 | 0 | 109.1 | R297 S301 | R297-E299 PolarHBondContact O-N 3.46Å; E299-S301 PolarHBondContact O-N 2.75Å |
| 300 | P | 81.4 | Confident | 76.3 | Confident | 79 Ų | 79 | 97.6 Ų | 97.6 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 127.1 | 170.6 | -21.2 | 32.1 | 0 | 0 | 0 | 109.3 | W298 S302 | W298-P300 HydrophobicContact CD2-CG 4.5Å; W298-P300 HydrophobicContact CE3-CG 4.3Å; W298-P300 HydrophobicContact CH2-CB 4.17Å; W298-P300 HydrophobicContact CH2-CG 3.86Å; W298-P300 HydrophobicContact CZ2-CB 3.97Å; W298-P300 HydrophobicContact CZ2-CG 3.99Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å; P300-S302 PolarHBondContact O-N 3.17Å |
| 301 | S | 66.3 | Low | 75.4 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 73% | 0.727 | 57% | 0.574 | S | S | * | * | trans | -59.5 | 110.5 | -174 | 63.4 | 0 | 0 | 0 | 0 | 110.8 | E299 Q303 | E299-S301 PolarHBondContact O-N 2.75Å; S301-Q303 PolarHBondContact O-N 3.1Å | ||
| 302 | S | 50.6 | Low | 74.6 | Confident | 113 Ų | 113 | 100 Ų | 100 | 79% | 0.79 | 56% | 0.562 | S | S | * | * | trans | -72.7 | 73.5 | 168.5 | 51.7 | 0 | 0 | 0 | 0 | 109.1 | P300 P304 | P300-S302 PolarHBondContact O-N 3.17Å; S302-P304 WeakPolarHBondContact O-CD 3.46Å; S302-P304 VanDerWaalsContact O-N 3.09Å | ||
| 303 | Q | 49.5 | Very low | 73.8 | Confident | 159 Ų | 159 | 95.3 Ų | 95.3 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | trans | -52.5 | 121.7 | 157.7 | -77.4 | -168.5 | -13.1 | 0 | 0 | 106.2 | S301 T305 | S301-Q303 PolarHBondContact O-N 3.1Å; Q303-T305 PolarHBondContact O-N 3.29Å | ||
| 304 | P | 45.6 | Very low | 73.1 | Confident | 113 Ų | 113 | 94.2 Ų | 94.2 | 73% | 0.734 | 55% | 0.548 | S | S | * | . | trans | -62.6 | 111.2 | 174.1 | 25 | -31.5 | 0 | 0 | 0 | 106 | S302 I306 | S302-P304 WeakPolarHBondContact O-CD 3.46Å; S302-P304 VanDerWaalsContact O-N 3.09Å; P304-I306 PolarHBondContact O-N 3.17Å | ||
| 305 | T | 52.7 | Low | 72.5 | Confident | 134 Ų | 134 | 96.4 Ų | 96.4 | 82% | 0.822 | 56% | 0.56 | S | S | * | * | trans | -63.7 | 87.2 | 170.5 | -47.8 | 0 | 0 | 0 | 0 | 106.6 | Q303 P307 | Q303-T305 PolarHBondContact O-N 3.29Å; T305-P307 WeakPolarHBondContact O-CD 3.36Å | ||
| 306 | I | 57.6 | Low | 71.8 | Confident | 109 Ų | 109 | 95.4 Ų | 95.4 | 56% | 0.559 | 56% | 0.559 | S | S | * | * | trans | -48 | 122 | 171.9 | -64.6 | 173.9 | 0 | 0 | 0 | 104.6 | P304 I308 I311 | P304-I306 PolarHBondContact O-N 3.17Å; I306-I308 PolarHBondContact O-N 3.4Å; I306-I311 HydrophobicContact CG2-CD1 3.72Å | ||
| 307 | P | 59.4 | Low | 71.2 | Confident | 89 Ų | 89 | 98 Ų | 98 | 58% | 0.578 | 58% | 0.576 | S | S | * | * | trans | -73.5 | 82 | -173 | 27.7 | -33.9 | 0 | 0 | 0 | 108.5 | T305 V309 G310 I311 | T305-P307 WeakPolarHBondContact O-CD 3.36Å; P307-V309 PolarHBondContact O-N 3.17Å; P307-G310 WeakPolarHBondContact O-CA 3.43Å; P307-G310 PolarHBondContact O-N 2.79Å; P307-I311 PolarHBondContact O-N 2.83Å; P307-I311 VanDerWaalsContact O-N 3.08Å | ||
| 308 | I | 61.7 | Low | 70.6 | Confident | 120 Ų | 120 | 96.7 Ų | 96.7 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -54.2 | -37.8 | 178.6 | -67.1 | 164.5 | 0 | 0 | 0 | 109 | I306 G310 I311 V312 | I306-I308 PolarHBondContact O-N 3.4Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 3.41Å; I308-I311 PolarHBondContact O-N 3.27Å; I308-V312 HydrophobicContact CG2-CG2 4.2Å; I308-V312 WeakPolarHBondContact O-CB 3.45Å; I308-V312 VanDerWaalsContact O-CG2 3.25Å; I308-V312 WeakPolarHBondContact O-CG2 3.33Å; I308-V312 PolarHBondContact O-N 3.06Å |
| 309 | V | 63.6 | Low | 70.1 | Confident | 123 Ų | 123 | 97.1 Ų | 97.1 | 75% | 0.745 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -57.1 | -42.9 | 171.9 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | P307 A313 | P307-V309 PolarHBondContact O-N 3.17Å; V309-A313 WeakPolarHBondContact O-CB 3.4Å; V309-A313 PolarHBondContact O-N 3.12Å |
| 310 | G | 67.3 | Low | 69.8 | Low | 43 Ų | 43 | 93.5 Ų | 93.5 | 44% | 0.443 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.4 | -39.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | P307 I308 G314 | P307-G310 WeakPolarHBondContact O-CA 3.43Å; P307-G310 PolarHBondContact O-N 2.79Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 3.41Å; G310-G314 PolarHBondContact O-N 3.39Å |
| 311 | I | 74.5 | Confident | 70 | Confident | 94 Ų | 94 | 94.6 Ų | 94.6 | 48% | 0.482 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.3 | -46.2 | 175.6 | -61.5 | 175.1 | 0 | 0 | 0 | 110.5 | I306 P307 I308 G314 L315 | I306-I311 HydrophobicContact CG2-CD1 3.72Å; P307-I311 PolarHBondContact O-N 2.83Å; P307-I311 VanDerWaalsContact O-N 3.08Å; I308-I311 PolarHBondContact O-N 3.27Å; I311-G314 PolarHBondContact O-N 2.9Å; I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.35Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 2.68Å |
| 312 | V | 75.4 | Confident | 70.8 | Confident | 89 Ų | 89 | 92.7 Ų | 92.7 | 54% | 0.539 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.4 | -42.8 | 177.8 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | I308 L315 A316 | I308-V312 HydrophobicContact CG2-CG2 4.2Å; I308-V312 WeakPolarHBondContact O-CB 3.45Å; I308-V312 VanDerWaalsContact O-CG2 3.25Å; I308-V312 WeakPolarHBondContact O-CG2 3.33Å; I308-V312 PolarHBondContact O-N 3.06Å; V312-L315 PolarHBondContact O-N 3.34Å; V312-A316 WeakPolarHBondContact O-CB 3.18Å; V312-A316 PolarHBondContact O-N 2.87Å |
| 313 | A | 75.1 | Confident | 72.3 | Confident | 52 Ų | 52 | 91.8 Ų | 91.8 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.5 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V309 A316 V317 | V309-A313 WeakPolarHBondContact O-CB 3.4Å; V309-A313 PolarHBondContact O-N 3.12Å; A313-A316 PolarHBondContact O-N 2.82Å; A313-V317 WeakPolarHBondContact O-CG2 3.29Å; A313-V317 PolarHBondContact O-N 2.9Å |
| 314 | G | 80.3 | Confident | 73.8 | Confident | 34 Ų | 34 | 89 Ų | 89 | 35% | 0.351 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.1 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G310 I311 V317 L318 | G310-G314 PolarHBondContact O-N 3.39Å; I311-G314 PolarHBondContact O-N 2.9Å; G314-V317 PolarHBondContact O-N 3.39Å; G314-L318 WeakPolarHBondContact O-CG 3.23Å; G314-L318 PolarHBondContact O-N 2.88Å |
| 315 | L | 84.9 | Confident | 75.5 | Confident | 106 Ų | 106 | 85.6 Ų | 85.6 | 56% | 0.555 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.5 | -39.5 | 175.7 | -71.6 | 171.8 | 0 | 0 | 0 | 112.4 | I311 V312 L318 A319 | I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.35Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 2.68Å; V312-L315 PolarHBondContact O-N 3.34Å; L315-L318 PolarHBondContact O-N 3.14Å; L315-A319 WeakPolarHBondContact O-CB 3.47Å; L315-A319 PolarHBondContact O-N 3.44Å |
| 316 | A | 82.8 | Confident | 76.7 | Confident | 54 Ų | 54 | 81.9 Ų | 81.9 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V312 A313 A319 V320 | V312-A316 WeakPolarHBondContact O-CB 3.18Å; V312-A316 PolarHBondContact O-N 2.87Å; A313-A316 PolarHBondContact O-N 2.82Å; A316-A319 PolarHBondContact O-N 3.02Å; A316-V320 WeakPolarHBondContact O-CG2 3.47Å; A316-V320 PolarHBondContact O-N 3.26Å |
| 317 | V | 84.4 | Confident | 77.7 | Confident | 89 Ų | 89 | 80.6 Ų | 80.6 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | A313 G314 A319 V320 L321 | A313-V317 WeakPolarHBondContact O-CG2 3.29Å; A313-V317 PolarHBondContact O-N 2.9Å; G314-V317 PolarHBondContact O-N 3.39Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.05Å; V317-V320 PolarHBondContact O-N 3.41Å; V317-L321 HydrophobicContact CG1-CD1 3.92Å; V317-L321 HydrophobicContact CG1-CG 4.37Å; V317-L321 WeakPolarHBondContact O-CB 3.34Å; V317-L321 WeakPolarHBondContact O-CG 3.07Å; V317-L321 PolarHBondContact O-N 2.81Å |
| 318 | L | 83.9 | Confident | 78.5 | Confident | 114 Ų | 114 | 82 Ų | 82 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -41.6 | 175.5 | -79.9 | 166.4 | 0 | 0 | 0 | 112.5 | G314 L315 L321 A322 | G314-L318 WeakPolarHBondContact O-CG 3.23Å; G314-L318 PolarHBondContact O-N 2.88Å; L315-L318 PolarHBondContact O-N 3.14Å; L318-L321 PolarHBondContact O-N 2.82Å; L318-A322 WeakPolarHBondContact O-CB 3.39Å; L318-A322 PolarHBondContact O-N 2.88Å |
| 319 | A | 84.6 | Confident | 79 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L315 A316 V317 A322 V323 | L315-A319 WeakPolarHBondContact O-CB 3.47Å; L315-A319 PolarHBondContact O-N 3.44Å; A316-A319 PolarHBondContact O-N 3.02Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.05Å; A319-A322 PolarHBondContact O-N 2.94Å; A319-V323 WeakPolarHBondContact O-CG2 3.48Å; A319-V323 PolarHBondContact O-N 3.48Å |
| 320 | V | 85 | Confident | 79.5 | Confident | 89 Ų | 89 | 76.8 Ų | 76.8 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | A316 V317 A322 V323 L324 | A316-V320 WeakPolarHBondContact O-CG2 3.47Å; A316-V320 PolarHBondContact O-N 3.26Å; V317-V320 PolarHBondContact O-N 3.41Å; V320-A322 PolarHBondContact O-N 3.22Å; V320-V323 PolarHBondContact O-N 2.82Å; V320-L324 HydrophobicContact CG1-CD1 3.91Å; V320-L324 HydrophobicContact CG1-CG 4.45Å; V320-L324 WeakPolarHBondContact O-CG 3.43Å; V320-L324 PolarHBondContact O-N 3.08Å |
| 321 | L | 84.3 | Confident | 79.8 | Confident | 103 Ų | 103 | 78.2 Ų | 78.2 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 177 | -70.8 | 173.1 | 0 | 0 | 0 | 112.3 | V317 L318 L324 G325 | V317-L321 HydrophobicContact CG1-CD1 3.92Å; V317-L321 HydrophobicContact CG1-CG 4.37Å; V317-L321 WeakPolarHBondContact O-CB 3.34Å; V317-L321 WeakPolarHBondContact O-CG 3.07Å; V317-L321 PolarHBondContact O-N 2.81Å; L318-L321 PolarHBondContact O-N 2.82Å; L321-L324 PolarHBondContact O-N 2.72Å; L321-G325 PolarHBondContact O-N 3.32Å |
| 322 | A | 82.9 | Confident | 79.6 | Confident | 64 Ų | 64 | 80 Ų | 80 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L318 A319 V320 G325 A326 | L318-A322 WeakPolarHBondContact O-CB 3.39Å; L318-A322 PolarHBondContact O-N 2.88Å; A319-A322 PolarHBondContact O-N 2.94Å; V320-A322 PolarHBondContact O-N 3.22Å; A322-G325 PolarHBondContact O-N 3.02Å; A322-A326 WeakPolarHBondContact O-CB 3.31Å; A322-A326 PolarHBondContact O-N 3.11Å |
| 323 | V | 82.8 | Confident | 78.9 | Confident | 94 Ų | 94 | 80 Ų | 80 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.8 | -45.3 | 175 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | A319 V320 G325 A326 V327 | A319-V323 WeakPolarHBondContact O-CG2 3.48Å; A319-V323 PolarHBondContact O-N 3.48Å; V320-V323 PolarHBondContact O-N 2.82Å; V323-G325 PolarHBondContact O-N 3.03Å; V323-A326 PolarHBondContact O-N 3.35Å; V323-V327 WeakPolarHBondContact O-CG2 3.18Å; V323-V327 PolarHBondContact O-N 3.41Å |
| 324 | L | 81.5 | Confident | 78.1 | Confident | 100 Ų | 100 | 86.6 Ų | 86.6 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.2 | -71.7 | 169.8 | 0 | 0 | 0 | 111.8 | V320 L321 V327 M328 | V320-L324 HydrophobicContact CG1-CD1 3.91Å; V320-L324 HydrophobicContact CG1-CG 4.45Å; V320-L324 WeakPolarHBondContact O-CG 3.43Å; V320-L324 PolarHBondContact O-N 3.08Å; L321-L324 PolarHBondContact O-N 2.72Å; L324-V327 PolarHBondContact O-N 3Å; L324-M328 WeakPolarHBondContact O-CB 3.47Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.29Å; L324-M328 PolarHBondContact O-N 3Å |
| 325 | G | 80.5 | Confident | 77 | Confident | 42 Ų | 42 | 94.9 Ų | 94.9 | 43% | 0.433 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L321 A322 V323 M328 A329 | L321-G325 PolarHBondContact O-N 3.32Å; A322-G325 PolarHBondContact O-N 3.02Å; V323-G325 PolarHBondContact O-N 3.03Å; G325-M328 PolarHBondContact O-N 3.37Å; G325-A329 WeakPolarHBondContact O-CB 3.41Å; G325-A329 PolarHBondContact O-N 3.07Å |
| 326 | A | 79.1 | Confident | 75.3 | Confident | 56 Ų | 56 | 98.5 Ų | 98.5 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.7 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A322 V323 A329 V330 | A322-A326 WeakPolarHBondContact O-CB 3.31Å; A322-A326 PolarHBondContact O-N 3.11Å; V323-A326 PolarHBondContact O-N 3.35Å; A326-A329 PolarHBondContact O-N 3.18Å; A326-V330 WeakPolarHBondContact O-CG2 3.43Å; A326-V330 PolarHBondContact O-N 3.41Å |
| 327 | V | 78.9 | Confident | 73.7 | Confident | 81 Ų | 81 | 100.6 Ų | 100.6 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.2 | -45.3 | 175.3 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | V323 L324 A329 V330 V331 | V323-V327 WeakPolarHBondContact O-CG2 3.18Å; V323-V327 PolarHBondContact O-N 3.41Å; L324-V327 PolarHBondContact O-N 3Å; V327-A329 PolarHBondContact O-N 3.14Å; V327-V330 PolarHBondContact O-N 2.93Å; V327-V331 HydrophobicContact CG1-CG2 4.45Å; V327-V331 WeakPolarHBondContact O-CB 3.13Å; V327-V331 VanDerWaalsContact O-CG2 3.32Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 2.93Å |
| 328 | M | 74.8 | Confident | 71.9 | Confident | 120 Ų | 120 | 101.2 Ų | 101.2 | 59% | 0.591 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63 | -40.8 | 176.8 | -72.7 | -64.2 | -71.6 | 0 | 0 | 112.2 | L324 G325 V331 M332 | L324-M328 WeakPolarHBondContact O-CB 3.47Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.29Å; L324-M328 PolarHBondContact O-N 3Å; G325-M328 PolarHBondContact O-N 3.37Å; M328-V331 PolarHBondContact O-N 2.93Å; M328-M332 WeakPolarHBondContact O-CB 3.3Å; M328-M332 WeakPolarHBondContact O-CG 3.34Å; M328-M332 PolarHBondContact O-N 3.21Å |
| 329 | A | 73.4 | Confident | 69.9 | Low | 53 Ų | 53 | 98.9 Ų | 98.9 | 44% | 0.438 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.2 | -45.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | G325 A326 V327 V331 M332 C333 | G325-A329 WeakPolarHBondContact O-CB 3.41Å; G325-A329 PolarHBondContact O-N 3.07Å; A326-A329 PolarHBondContact O-N 3.18Å; V327-A329 PolarHBondContact O-N 3.14Å; A329-V331 PolarHBondContact O-N 3.27Å; A329-M332 PolarHBondContact O-N 3.46Å; A329-C333 WeakPolarHBondContact O-CB 3.48Å; A329-C333 PolarHBondContact O-N 2.9Å; A329-C333 PolarHBondContact O-SG 2.75Å |
| 330 | V | 73.5 | Confident | 67.6 | Low | 79 Ų | 79 | 100.3 Ų | 100.3 | 48% | 0.479 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.9 | -41.1 | 176 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | A326 V327 C333 R334 | A326-V330 WeakPolarHBondContact O-CG2 3.43Å; A326-V330 PolarHBondContact O-N 3.41Å; V327-V330 PolarHBondContact O-N 2.93Å; V330-C333 PolarHBondContact O-N 3.13Å; V330-R334 WeakPolarHBondContact O-CB 3.3Å; V330-R334 PolarHBondContact O-N 3.21Å |
| 331 | V | 72.7 | Confident | 65.1 | Low | 74 Ų | 74 | 106.4 Ų | 106.4 | 45% | 0.448 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.5 | -41.6 | 175.7 | 170 | 0 | 0 | 0 | 0 | 111.2 | V327 M328 A329 R334 R335 | V327-V331 HydrophobicContact CG1-CG2 4.45Å; V327-V331 WeakPolarHBondContact O-CB 3.13Å; V327-V331 VanDerWaalsContact O-CG2 3.32Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 2.93Å; M328-V331 PolarHBondContact O-N 2.93Å; A329-V331 PolarHBondContact O-N 3.27Å; V331-R334 PolarHBondContact O-N 3.13Å; V331-R335 PolarHBondContact O-N 2.74Å |
| 332 | M | 70.2 | Confident | 62.7 | Low | 130 Ų | 130 | 105.3 Ų | 105.3 | 64% | 0.64 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.2 | -41.7 | 175.1 | -75.3 | -175.2 | 68.5 | 0 | 0 | 112.4 | M328 A329 R334 R335 K336 | M328-M332 WeakPolarHBondContact O-CB 3.3Å; M328-M332 WeakPolarHBondContact O-CG 3.34Å; M328-M332 PolarHBondContact O-N 3.21Å; A329-M332 PolarHBondContact O-N 3.46Å; M332-R334 VanDerWaalsContact C-N 3.34Å; M332-R334 PolarHBondContact O-N 3.01Å; M332-R335 PolarHBondContact O-N 2.86Å; M332-K336 WeakPolarHBondContact O-CB 3.32Å; M332-K336 PolarHBondContact O-N 2.9Å |
| 333 | C | 60.8 | Low | 60.3 | Low | 89 Ų | 89 | 106 Ų | 106 | 60% | 0.601 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.3 | -42.5 | 172.5 | -77.1 | 0 | 0 | 0 | 0 | 111.5 | A329 V330 K336 S337 | A329-C333 WeakPolarHBondContact O-CB 3.48Å; A329-C333 PolarHBondContact O-N 2.9Å; A329-C333 PolarHBondContact O-SG 2.75Å; V330-C333 PolarHBondContact O-N 3.13Å; C333-K336 PolarHBondContact O-N 3.47Å; C333-S337 PolarHBondContact O-N 3.38Å; C333-S337 PolarHBondContact O-OG 3.17Å; C333-S337 VanDerWaalsContact O-OG 3.07Å |
| 334 | R | 59.6 | Low | 57.9 | Low | 192 Ų | 192 | 106.8 Ų | 106.8 | 73% | 0.725 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -65.3 | -37.4 | 175 | -81 | -176.4 | 154.4 | 168.8 | -5 | 113.4 | V330 V331 M332 S337 | V330-R334 WeakPolarHBondContact O-CB 3.3Å; V330-R334 PolarHBondContact O-N 3.21Å; V331-R334 PolarHBondContact O-N 3.13Å; M332-R334 VanDerWaalsContact C-N 3.34Å; M332-R334 PolarHBondContact O-N 3.01Å; R334-S337 WeakPolarHBondContact CA-OG 3.42Å; R334-S337 PolarHBondContact O-OG 3.06Å |
| 335 | R | 57 | Low | 55.5 | Low | 207 Ų | 207 | 107.7 Ų | 107.7 | 78% | 0.781 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.7 | -30.8 | 172.2 | -112.4 | -180 | 173.2 | 174.7 | -2.2 | 113.1 | V331 M332 S338 | V331-R335 PolarHBondContact O-N 2.74Å; M332-R335 PolarHBondContact O-N 2.86Å; R335-S338 PolarHBondContact O-OG 2.84Å; R335-S338 VanDerWaalsContact O-OG 3.13Å |
| 336 | K | 48.9 | Very low | 53.2 | Low | 182 Ų | 182 | 110.2 Ų | 110.2 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -84.1 | -19.8 | 179.6 | -162.7 | 168.8 | -177.9 | 178.2 | 0 | 113.2 | M332 C333 S338 | M332-K336 WeakPolarHBondContact O-CB 3.32Å; M332-K336 PolarHBondContact O-N 2.9Å; C333-K336 PolarHBondContact O-N 3.47Å; K336-S338 VanDerWaalsContact C-N 3.35Å |
| 337 | S | 50 | Low | 51 | Low | 99 Ų | 99 | 116.4 Ų | 116.4 | 69% | 0.692 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -3.3 | 172.8 | 50.4 | 0 | 0 | 0 | 0 | 114.9 | C333 R334 | C333-S337 PolarHBondContact O-N 3.38Å; C333-S337 PolarHBondContact O-OG 3.17Å; C333-S337 VanDerWaalsContact O-OG 3.07Å; R334-S337 WeakPolarHBondContact CA-OG 3.42Å; R334-S337 PolarHBondContact O-OG 3.06Å |
| 338 | S | 46.5 | Very low | 48.6 | Very low | 101 Ų | 101 | 116.6 Ų | 116.6 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 20.9 | 177 | 67.7 | 0 | 0 | 0 | 0 | 114.3 | R335 K336 | R335-S338 PolarHBondContact O-OG 2.84Å; R335-S338 VanDerWaalsContact O-OG 3.13Å; K336-S338 VanDerWaalsContact C-N 3.35Å |
| 339 | G | 40.8 | Very low | 46.6 | Very low | 65 Ų | 65 | 114.9 Ų | 114.9 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -173.5 | 118.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 340 | G | 35.7 | Very low | 44.6 | Very low | 87 Ų | 87 | 117.8 Ų | 117.8 | 90% | 0.897 | 73% | 0.729 | S | S | * | * | trans | 132.5 | 110 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 341 | K | 33.3 | Very low | 42.8 | Very low | 217 Ų | 217 | 119.1 Ų | 119.1 | 94% | 0.943 | 74% | 0.742 | S | S | * | * | trans | -129.4 | 123.7 | -175.6 | 178.1 | 177.3 | 179.6 | 177 | 0 | 110.5 | ||||
| 342 | G | 33.2 | Very low | 40.9 | Very low | 80 Ų | 80 | 122.2 Ų | 122.2 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | 99.8 | 144.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 343 | G | 32.3 | Very low | 39.5 | Very low | 77 Ų | 77 | 120.4 Ų | 120.4 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | 78.8 | 108.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 344 | S | 33.4 | Very low | 38.2 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | cis | 86.1 | 110.7 | 31.5 | -163.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 345 | C | 30.6 | Very low | 37.1 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 59.5 | 147.6 | 154.1 | -75.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 346 | S | 32.8 | Very low | 35.9 | Very low | 95 Ų | 95 | 114.2 Ų | 114.2 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | cis | -171.2 | 175.4 | 5.4 | 34 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 347 | Q | 32.8 | Very low | 35.2 | Very low | 185 Ų | 185 | 111.7 Ų | 111.7 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 87.2 | 139.5 | 144.7 | -137.5 | 164.8 | 4.5 | 0 | 0 | 117.1 | ||||
| 348 | A | 29.1 | Very low | 34.7 | Very low | 85 Ų | 85 | 115 Ų | 115 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | cis | -168.4 | -178.8 | -22.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 349 | A | 31.5 | Very low | 33.9 | Very low | 85 Ų | 85 | 119.6 Ų | 119.6 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | 68.5 | 115.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 350 | S | 31.6 | Very low | 33.5 | Very low | 113 Ų | 113 | 121 Ų | 121 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | 60 | 126.4 | 74.7 | 78.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 351 | S | 35.7 | Very low | 33.6 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | cis | -153.6 | -170.3 | 5.2 | 56.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 352 | N | 33.4 | Very low | 33.4 | Very low | 139 Ų | 139 | 122.1 Ų | 122.1 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | cis | -159.2 | -175.1 | 14.6 | -152.6 | 0.4 | 0 | 0 | 0 | 112.7 | ||||
| 353 | S | 39.8 | Very low | 33.6 | Very low | 93 Ų | 93 | 122.6 Ų | 122.6 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -3 | 154.4 | 150.9 | 59.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 354 | A | 35.2 | Very low | 33.5 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | cis | 179.3 | 141.4 | -16.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 355 | Q | 36.3 | Very low | 33.5 | Very low | 201 Ų | 201 | 129.6 Ų | 129.6 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | trans | -177.7 | 117 | 135 | -108.1 | 169.5 | -27.9 | 0 | 0 | 109.1 | ||||
| 356 | G | 31.2 | Very low | 33.9 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | trans | -108.3 | 159.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 357 | S | 34.6 | Very low | 33.9 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -150.3 | 71.4 | 162.7 | -66.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 358 | D | 38.4 | Very low | 34 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | trans | -98.5 | 121.9 | 154.5 | -100.5 | -29.4 | 0 | 0 | 0 | 106.4 | ||||
| 359 | E | 30.2 | Very low | 34.3 | Very low | 198 Ų | 198 | 134.2 Ų | 134.2 | 93% | 0.925 | 84% | 0.838 | S | S | * | * | trans | -145.9 | 115 | 152.5 | -144.3 | 172.1 | -156.3 | 0 | 0 | 109.6 | ||||
| 360 | S | 32.7 | Very low | 34.4 | Very low | 96 Ų | 96 | 137.1 Ų | 137.1 | 67% | 0.671 | 85% | 0.846 | S | S | * | * | trans | -119.3 | 156 | 172.8 | 65.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 361 | L | 36.8 | Very low | 34.6 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 84% | 0.843 | 85% | 0.85 | S | S | * | * | trans | 75.8 | 106.3 | 170.3 | -53.9 | 164.6 | 0 | 0 | 0 | 117.1 | ||||
| 362 | I | 30.4 | Very low | 34.5 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 85% | 0.851 | 86% | 0.857 | S | S | * | * | -131.3 | 133 | 118.7 | -70.6 | -167.4 | 0 | 0 | 0 | 108.2 | |||||
| 363 | A | 37.3 | Very low | 34.6 | Very low | 89 Ų | 89 | 140.8 Ų | 140.8 | 74% | 0.736 | 87% | 0.865 | S | S | * | * | trans | -95.5 | 149.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 364 | C | 29.2 | Very low | 34.2 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 91% | 0.912 | 88% | 0.881 | S | S | * | * | trans | -151.1 | 149.6 | 155.9 | -128.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 365 | K | 34.4 | Very low | 34.1 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 88% | 0.878 | 90% | 0.895 | S | S | * | * | trans | -87.8 | 158.9 | -179.7 | -65.4 | 169.8 | 168.9 | 178.5 | 0 | 111.5 | ||||
| 366 | A | 38.3 | Very low | 33.9 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 100% | 1.463 | 89% | 0.892 | S | S | * | * | -145.6 | 0 | 122.5 | 0 | 0 | 0 | 0 | 0 | 108 |
Retrieved 366 of 366 residues in 172.4 ms
(Link to these results)