| 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 | K | 45.9 | Very low | 49.9 | Very low | 90 Ų | 90 | 99.5 Ų | 99.5 | 39% | 0.391 | 46% | 0.463 | S | S | . | . | 0 | -43.2 | 0 | -168.3 | 169.6 | 179 | 171.7 | 0 | 111 | E3 F4 L5 E137 P138 | K1-E3 PolarHBondContact O-N 3.29Å; K1-F4 WeakPolarHBondContact O-CB 3.45Å; K1-F4 PolarHBondContact O-N 2.83Å; K1-L5 PolarHBondContact O-N 3.23Å; K1-E137 WeakPolarHBondContact CE-OE1 3.47Å; K1-E137 WeakPolarHBondContact CE-OE2 3.22Å; K1-E137 IonicContact NZ-OE1 2.81Å; K1-E137 PolarHBondContact NZ-OE1 2.99Å; K1-E137 IonicContact NZ-OE2 2.68Å; K1-E137 PolarHBondContact NZ-OE2 2.8Å; K1-P138 PolarHBondContact NZ-O 2.78Å | |||
| 2 | E | 39.8 | Very low | 52 | Low | 138 Ų | 138 | 97.7 Ų | 97.7 | 65% | 0.645 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -51.9 | -42.3 | 165.8 | -66.5 | 118.9 | 145.9 | 0 | 0 | 111.6 | F4 L5 S6 | E2-F4 VanDerWaalsContact C-N 3.29Å; E2-F4 PolarHBondContact O-N 2.85Å; E2-L5 CarbonylContact O-C 3.6Å; E2-L5 WeakPolarHBondContact O-CA 3.39Å; E2-L5 WeakPolarHBondContact O-CB 3.42Å; E2-L5 PolarHBondContact O-N 3.06Å; E2-S6 PolarHBondContact O-N 2.81Å; E2-S6 PolarHBondContact O-OG 2.93Å |
| 3 | E | 42.7 | Very low | 54.2 | Low | 133 Ų | 133 | 97 Ų | 97 | 62% | 0.621 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -50.6 | -38.7 | 171.7 | -170.6 | 174.9 | -147.4 | 0 | 0 | 114.7 | K1 S6 Y7 | K1-E3 PolarHBondContact O-N 3.29Å; E3-S6 VanDerWaalsContact C-OG 3.28Å; E3-S6 VanDerWaalsContact CA-OG 3.29Å; E3-S6 WeakPolarHBondContact CA-OG 3.46Å; E3-S6 PolarHBondContact O-N 3.32Å; E3-S6 PolarHBondContact O-OG 3.45Å; E3-Y7 HydrophobicContact CG-CE2 4.06Å; E3-Y7 WeakPolarHBondContact O-CD2 3.43Å; E3-Y7 WeakPolarHBondContact O-CE2 3.46Å |
| 4 | F | 42.4 | Very low | 56.2 | Low | 82 Ų | 82 | 90.8 Ų | 90.8 | 36% | 0.36 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71.7 | -39.8 | 174.5 | 173.6 | -103.6 | 0 | 0 | 0 | 111.6 | K1 E2 S6 Y7 L8 Y161 | K1-F4 WeakPolarHBondContact O-CB 3.45Å; K1-F4 PolarHBondContact O-N 2.83Å; E2-F4 VanDerWaalsContact C-N 3.29Å; E2-F4 PolarHBondContact O-N 2.85Å; F4-S6 PolarHBondContact O-N 3.43Å; F4-Y7 PolarHBondContact O-N 2.95Å; F4-L8 HydrophobicContact CD1-CD1 4.45Å; F4-L8 HydrophobicContact CE1-CD1 4Å; F4-L8 HydrophobicContact CE1-CG 4.37Å; F4-L8 HydrophobicContact CZ-CD2 4.27Å; F4-L8 PolarHBondContact O-N 3.04Å; F4-Y161 HydrophobicContact CE1-CE1 4.3Å |
| 5 | L | 49.5 | Very low | 57.9 | Low | 16 Ų | 16 | 88.5 Ų | 88.5 | 8% | 0.084 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.8 | -26.6 | 176 | -59.6 | -179.3 | 0 | 0 | 0 | 112.4 | K1 E2 Y7 L8 Y11 L139 V159 | K1-L5 PolarHBondContact O-N 3.23Å; E2-L5 CarbonylContact O-C 3.6Å; E2-L5 WeakPolarHBondContact O-CA 3.39Å; E2-L5 WeakPolarHBondContact O-CB 3.42Å; E2-L5 PolarHBondContact O-N 3.06Å; L5-Y7 VanDerWaalsContact C-N 3.32Å; L5-L8 HydrophobicContact CD2-CD1 3.92Å; L5-Y11 HydrophobicContact CB-CD1 4.46Å; L5-Y11 HydrophobicContact CB-CE1 3.92Å; L5-Y11 WeakPolarHBondContact O-CE1 3.4Å; L5-L139 HydrophobicContact CD1-CD1 4.34Å; L5-V159 HydrophobicContact CD1-CG2 4.36Å; L5-V159 HydrophobicContact CD2-CG1 3.84Å; L5-V159 HydrophobicContact CD2-CG2 4.22Å |
| 6 | S | 48.5 | Very low | 59.6 | Low | 90 Ų | 90 | 83 Ų | 83 | 63% | 0.629 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -12.1 | 171.4 | 45.8 | 0 | 0 | 0 | 0 | 115 | E2 E3 F4 | E2-S6 PolarHBondContact O-N 2.81Å; E2-S6 PolarHBondContact O-OG 2.93Å; E3-S6 VanDerWaalsContact C-OG 3.28Å; E3-S6 VanDerWaalsContact CA-OG 3.29Å; E3-S6 WeakPolarHBondContact CA-OG 3.46Å; E3-S6 PolarHBondContact O-N 3.32Å; E3-S6 PolarHBondContact O-OG 3.45Å; F4-S6 PolarHBondContact O-N 3.43Å |
| 7 | Y | 44.2 | Very low | 61 | Low | 154 Ų | 154 | 78.9 Ų | 78.9 | 60% | 0.604 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -14.2 | 172.1 | -63.3 | -53.3 | 0 | 0 | 0 | 113.6 | E3 F4 L5 | E3-Y7 HydrophobicContact CG-CE2 4.06Å; E3-Y7 WeakPolarHBondContact O-CD2 3.43Å; E3-Y7 WeakPolarHBondContact O-CE2 3.46Å; F4-Y7 PolarHBondContact O-N 2.95Å; L5-Y7 VanDerWaalsContact C-N 3.32Å |
| 8 | L | 49.3 | Very low | 62.3 | Low | 12 Ų | 12 | 78.1 Ų | 78.1 | 6% | 0.063 | 37% | 0.369 | C | S | . | . | trans | -78.6 | 119.5 | 175.1 | -67.6 | 176.3 | 0 | 0 | 0 | 110.4 | F4 L5 H10 Y11 Y161 I166 | F4-L8 HydrophobicContact CD1-CD1 4.45Å; F4-L8 HydrophobicContact CE1-CD1 4Å; F4-L8 HydrophobicContact CE1-CG 4.37Å; F4-L8 HydrophobicContact CZ-CD2 4.27Å; F4-L8 PolarHBondContact O-N 3.04Å; L5-L8 HydrophobicContact CD2-CD1 3.92Å; L8-H10 VanDerWaalsContact C-N 3.27Å; L8-H10 PolarHBondContact O-N 2.97Å; L8-Y11 HydrophobicContact CB-CD1 4.22Å; L8-Y11 HydrophobicContact CD1-CD1 4.45Å; L8-Y161 HydrophobicContact CD1-CD1 3.79Å; L8-Y161 HydrophobicContact CD1-CD2 4.05Å; L8-Y161 HydrophobicContact CD1-CE1 4.11Å; L8-Y161 HydrophobicContact CD1-CE2 4.36Å; L8-Y161 HydrophobicContact CD1-CG 3.76Å; L8-Y161 HydrophobicContact CD2-CD2 3.77Å; L8-Y161 HydrophobicContact CD2-CE2 3.94Å; L8-Y161 HydrophobicContact CD2-CG 4.31Å; L8-I166 HydrophobicContact CD2-CD1 4.31Å; L8-I166 HydrophobicContact CD2-CG1 3.9Å | ||
| 9 | Q | 52 | Low | 63.4 | Low | 137 Ų | 137 | 74.1 Ų | 74.1 | 64% | 0.64 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -60 | -35.2 | 180 | -68.4 | -172.9 | -6.7 | 0 | 0 | 113.5 | A165 | Q9-A165 HydrophobicContact CB-CB 4.35Å; Q9-A165 PolarHBondContact N-O 3.34Å; Q9-A165 VanDerWaalsContact N-O 3.12Å |
| 10 | H | 59.4 | Low | 64.2 | Low | 140 Ų | 140 | 72.5 Ų | 72.5 | 65% | 0.648 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -151.7 | 117.8 | 176.7 | -73.7 | 88.8 | 0 | 0 | 0 | 110.9 | L8 Y61 | L8-H10 VanDerWaalsContact C-N 3.27Å; L8-H10 PolarHBondContact O-N 2.97Å; H10-Y61 PolarHBondContact O-OH 2.94Å |
| 11 | Y | 74.8 | Confident | 64.8 | Low | 103 Ų | 103 | 73.6 Ų | 73.6 | 40% | 0.404 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 164.8 | 169.3 | 69.7 | -92.5 | 0 | 0 | 0 | 111.2 | L5 L8 L13 Y61 V159 | L5-Y11 HydrophobicContact CB-CD1 4.46Å; L5-Y11 HydrophobicContact CB-CE1 3.92Å; L5-Y11 WeakPolarHBondContact O-CE1 3.4Å; L8-Y11 HydrophobicContact CB-CD1 4.22Å; L8-Y11 HydrophobicContact CD1-CD1 4.45Å; Y11-L13 HydrophobicContact CE2-CD2 4.36Å; Y11-Y61 WeakPolarHBondContact CA-OH 3.46Å; Y11-V159 HydrophobicContact CD2-CG1 3.78Å; Y11-V159 HydrophobicContact CG-CG1 4.19Å |
| 12 | Q | 76 | Confident | 66.2 | Low | 77 Ų | 77 | 74.5 Ų | 74.5 | 36% | 0.36 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 161.1 | 169.6 | -66.7 | -164.1 | -8.7 | 0 | 0 | 111.5 | Y61 I160 | Q12-Y61 HydrophobicContact CB-CE2 4.41Å; Q12-Y61 HydrophobicContact CG-CD1 4.45Å; Q12-Y61 HydrophobicContact CG-CE1 4.15Å; Q12-Y61 HydrophobicContact CG-CE2 4.25Å; Q12-I160 HydrophobicContact CB-CG2 4.37Å; Q12-I160 PolarHBondContact N-O 2.98Å; Q12-I160 PolarHBondContact O-N 2.98Å |
| 13 | L | 79.9 | Confident | 67.7 | Low | 89 Ų | 89 | 68.4 Ų | 68.4 | 47% | 0.466 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 141.3 | 171.6 | -61.2 | -178.4 | 0 | 0 | 0 | 109.8 | Y11 L139 H158 V159 | Y11-L13 HydrophobicContact CE2-CD2 4.36Å; L13-L139 HydrophobicContact CD2-CD2 4.27Å; L13-H158 WeakPolarHBondContact CA-O 3.38Å; L13-V159 HydrophobicContact CD2-CB 4.41Å; L13-V159 HydrophobicContact CD2-CG1 4.49Å; L13-V159 HydrophobicContact CD2-CG2 3.93Å |
| 14 | T | 82.3 | Confident | 69.5 | Low | 10 Ų | 10 | 66.7 Ų | 66.7 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 154.7 | 178.5 | -159.5 | 0 | 0 | 0 | 0 | 111.2 | P16 L58 S59 I136 H158 I160 | T14-P16 HydrophobicContact CG2-CG 4.34Å; T14-L58 HydrophobicContact CG2-CB 4.37Å; T14-L58 HydrophobicContact CG2-CD1 4.36Å; T14-S59 WeakPolarHBondContact CB-O 3.48Å; T14-S59 PolarHBondContact OG1-N 2.83Å; T14-S59 PolarHBondContact OG1-O 2.91Å; T14-I136 HydrophobicContact CG2-CD1 3.84Å; T14-H158 HydrophobicContact CG2-CB 4.17Å; T14-H158 PolarHBondContact N-O 2.89Å; T14-H158 PolarHBondContact O-N 3.02Å; T14-I160 HydrophobicContact CG2-CB 4.26Å; T14-I160 HydrophobicContact CG2-CG2 3.68Å |
| 15 | V | 81.6 | Confident | 71.5 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 35% | 0.345 | 33% | 0.33 | S | S | . | . | trans | -119.5 | 100.2 | 174.3 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | Y28 A155 Q157 | V15-Y28 HydrophobicContact CG1-CD1 4.28Å; V15-A155 HydrophobicContact CG1-CB 4.15Å; V15-Q157 HydrophobicContact CG2-CG 3.94Å | ||
| 16 | P | 85.2 | Confident | 72.8 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | -71.9 | 139.1 | 177.4 | -13.4 | 29.1 | 0 | 0 | 0 | 110.9 | T14 V30 R57 L58 L123 I136 H158 | T14-P16 HydrophobicContact CG2-CG 4.34Å; P16-V30 HydrophobicContact CB-CG1 4.08Å; P16-V30 VanDerWaalsContact O-CG1 3.29Å; P16-V30 WeakPolarHBondContact O-CG1 3.34Å; P16-R57 WeakPolarHBondContact CA-O 3.19Å; P16-L58 HydrophobicContact CB-CB 3.91Å; P16-L58 HydrophobicContact CB-CD2 4Å; P16-L58 HydrophobicContact CG-CB 4.13Å; P16-L58 HydrophobicContact CG-CD2 4.02Å; P16-L123 HydrophobicContact CB-CD1 3.52Å; P16-L123 HydrophobicContact CB-CG 4.42Å; P16-L123 HydrophobicContact CG-CD1 3.87Å; P16-L123 HydrophobicContact CG-CG 4.49Å; P16-I136 HydrophobicContact CG-CD1 3.94Å; P16-H158 WeakPolarHBondContact CD-ND1 3.5Å; P16-H158 HydrophobicContact CG-CB 4.36Å | ||
| 17 | V | 84.2 | Confident | 74.3 | Confident | 14 Ų | 14 | 68.2 Ų | 68.2 | 9% | 0.085 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.9 | 176.7 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | V19 F25 Y28 Y56 R57 | V17-V19 HydrophobicContact CG2-CG1 4Å; V17-F25 HydrophobicContact CB-CD2 3.86Å; V17-F25 HydrophobicContact CB-CE2 3.88Å; V17-F25 HydrophobicContact CG1-CD2 4.14Å; V17-F25 HydrophobicContact CG1-CE2 3.87Å; V17-F25 HydrophobicContact CG2-CD2 4.16Å; V17-Y28 HydrophobicContact CG1-CD1 3.48Å; V17-Y28 VanDerWaalsContact CG1-CD1 3.48Å; V17-Y28 HydrophobicContact CG1-CE1 3.48Å; V17-Y28 VanDerWaalsContact CG1-CE1 3.48Å; V17-Y28 HydrophobicContact CG1-CG 4.45Å; V17-Y56 CarbonylContact O-C 3.58Å; V17-Y56 VanDerWaalsContact O-CA 3.25Å; V17-Y56 WeakPolarHBondContact O-CA 3.48Å; V17-R57 HydrophobicContact CG2-CB 4.05Å; V17-R57 WeakPolarHBondContact CG2-O 3.32Å; V17-R57 PolarHBondContact N-O 2.88Å; V17-R57 PolarHBondContact O-N 2.59Å |
| 18 | R | 83.9 | Confident | 75.5 | Confident | 64 Ų | 64 | 64.6 Ų | 64.6 | 24% | 0.242 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 134.8 | 169.4 | -167 | 178.6 | 175.6 | -177.7 | -3.1 | 108.3 | L26 S27 D48 F55 Y56 | R18-L26 PolarHBondContact O-N 3.37Å; R18-S27 PolarHBondContact N-O 2.88Å; R18-S27 PolarHBondContact O-N 2.52Å; R18-D48 IonicContact CZ-OD2 3.5Å; R18-D48 IonicContact NH1-OD2 3.66Å; R18-D48 PolarHBondContact NH1-OD2 2.94Å; R18-D48 IonicContact NH2-OD1 3.42Å; R18-D48 IonicContact NH2-OD2 3.5Å; R18-D48 PolarHBondContact NH2-OD2 2.81Å; R18-F55 WeakPolarHBondContact CA-O 3.3Å; R18-Y56 HydrophobicContact CB-CD1 4.03Å; R18-Y56 HydrophobicContact CB-CE1 3.82Å; R18-Y56 HydrophobicContact CG-CD1 4.43Å; R18-Y56 HydrophobicContact CG-CE1 4.1Å |
| 19 | V | 82.9 | Confident | 76.6 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 166.5 | 179.7 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | V17 N24 L26 F55 R57 H66 | V17-V19 HydrophobicContact CG2-CG1 4Å; V19-N24 CarbonylContact C-O 3.35Å; V19-N24 WeakPolarHBondContact CA-O 3.47Å; V19-N24 WeakPolarHBondContact CB-O 3.31Å; V19-L26 VanDerWaalsContact C-CD1 3.5Å; V19-L26 WeakPolarHBondContact O-CD1 3.44Å; V19-F55 HydrophobicContact CG2-CB 3.57Å; V19-F55 PolarHBondContact N-O 2.81Å; V19-F55 WeakPolarHBondContact O-CB 3.45Å; V19-R57 HydrophobicContact CG1-CB 3.8Å; V19-R57 HydrophobicContact CG2-CB 4.36Å; V19-H66 WeakPolarHBondContact CG2-NE2 3.44Å |
| 20 | D | 79.1 | Confident | 77.4 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | trans | -81.1 | 177.9 | 168.8 | 77 | -6 | 0 | 0 | 0 | 111.4 | N22 G23 N24 L26 | D20-N22 PolarHBondContact O-N 3.29Å; D20-N22 VanDerWaalsContact O-N 3.13Å; D20-N22 WeakPolarHBondContact OD1-CA 3.34Å; D20-N22 WeakPolarHBondContact OD1-CB 3.31Å; D20-N22 PolarHBondContact OD1-N 2.87Å; D20-G23 PolarHBondContact O-N 3Å; D20-G23 VanDerWaalsContact O-N 3.1Å; D20-G23 PolarHBondContact OD1-N 2.96Å; D20-N24 PolarHBondContact N-O 3.24Å; D20-N24 WeakPolarHBondContact OD1-CB 3.11Å; D20-N24 PolarHBondContact OD1-N 2.81Å; D20-N24 PolarHBondContact OD1-ND2 3.29Å; D20-N24 PolarHBondContact OD2-ND2 2.84Å; D20-L26 HydrophobicContact CB-CD1 4.19Å; D20-L26 HydrophobicContact CB-CD2 4.29Å; D20-L26 HydrophobicContact CB-CG 4.26Å | ||
| 21 | E | 77.4 | Confident | 77.5 | Confident | 96 Ų | 96 | 58.3 Ų | 58.3 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.9 | 177.7 | -177 | 158.7 | -131.7 | 0 | 0 | 112.9 | R53 F55 R107 | E21-R53 IonicContact OE1-NH1 3.92Å; E21-R53 PolarHBondContact OE1-NH1 2.92Å; E21-F55 HydrophobicContact CB-CD2 4.34Å; E21-F55 HydrophobicContact CB-CE1 4.06Å; E21-F55 HydrophobicContact CB-CE2 3.66Å; E21-F55 HydrophobicContact CB-CZ 3.5Å; E21-F55 VanDerWaalsContact CB-CZ 3.5Å; E21-F55 HydrophobicContact CG-CE1 3.87Å; E21-F55 HydrophobicContact CG-CE2 4.18Å; E21-F55 HydrophobicContact CG-CZ 3.49Å; E21-F55 VanDerWaalsContact CG-CZ 3.49Å; E21-R107 PolarHBondContact O-NE 3.44Å; E21-R107 PolarHBondContact O-NH1 2.92Å; E21-R107 PolarHBondContact O-NH2 2.99Å |
| 22 | N | 75.4 | Confident | 76.8 | Confident | 108 Ų | 108 | 56.8 Ų | 56.8 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -20.3 | 178.4 | -70.6 | -52.1 | 0 | 0 | 0 | 113.6 | D20 R107 | D20-N22 PolarHBondContact O-N 3.29Å; D20-N22 VanDerWaalsContact O-N 3.13Å; D20-N22 WeakPolarHBondContact OD1-CA 3.34Å; D20-N22 WeakPolarHBondContact OD1-CB 3.31Å; D20-N22 PolarHBondContact OD1-N 2.87Å; N22-R107 PolarHBondContact O-NH1 2.83Å |
| 23 | G | 71.9 | Confident | 75.6 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 98.6 | 11.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D20 R57 H66 | D20-G23 PolarHBondContact O-N 3Å; D20-G23 VanDerWaalsContact O-N 3.1Å; D20-G23 PolarHBondContact OD1-N 2.96Å; G23-R57 PolarHBondContact O-NH1 2.81Å; G23-H66 VanDerWaalsContact CA-CE1 3.41Å; G23-H66 WeakPolarHBondContact CA-CE1 3.43Å |
| 24 | N | 79.9 | Confident | 74 | Confident | 97 Ų | 97 | 63.7 Ų | 63.7 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | trans | -70.1 | 145.3 | 169.2 | -56.1 | -53.9 | 0 | 0 | 0 | 109.5 | V19 D20 | V19-N24 CarbonylContact C-O 3.35Å; V19-N24 WeakPolarHBondContact CA-O 3.47Å; V19-N24 WeakPolarHBondContact CB-O 3.31Å; D20-N24 PolarHBondContact N-O 3.24Å; D20-N24 WeakPolarHBondContact OD1-CB 3.11Å; D20-N24 PolarHBondContact OD1-N 2.81Å; D20-N24 PolarHBondContact OD1-ND2 3.29Å; D20-N24 PolarHBondContact OD2-ND2 2.84Å | ||
| 25 | F | 83.1 | Confident | 71.8 | Confident | 93 Ų | 93 | 69.8 Ų | 69.8 | 41% | 0.408 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 133.8 | -179.9 | 171.3 | -90.4 | 0 | 0 | 0 | 111.6 | V17 S27 Y28 | V17-F25 HydrophobicContact CB-CD2 3.86Å; V17-F25 HydrophobicContact CB-CE2 3.88Å; V17-F25 HydrophobicContact CG1-CD2 4.14Å; V17-F25 HydrophobicContact CG1-CE2 3.87Å; V17-F25 HydrophobicContact CG2-CD2 4.16Å; F25-S27 VanDerWaalsContact CE2-C 3.43Å; F25-Y28 HydrophobicContact CE1-CE2 4.25Å; F25-Y28 HydrophobicContact CE2-CD1 4.12Å; F25-Y28 AromaticContact CE2-CD2 3.79Å; F25-Y28 HydrophobicContact CE2-CD2 3.79Å; F25-Y28 AromaticContact CE2-CE1 3.96Å; F25-Y28 HydrophobicContact CE2-CE1 3.96Å; F25-Y28 AromaticContact CE2-CE2 3.59Å; F25-Y28 HydrophobicContact CE2-CE2 3.59Å; F25-Y28 HydrophobicContact CE2-CG 4.01Å; F25-Y28 AromaticContact CE2-CZ 3.67Å; F25-Y28 AromaticContact CZ-CD2 3.4Å; F25-Y28 HydrophobicContact CZ-CD2 3.4Å; F25-Y28 VanDerWaalsContact CZ-CD2 3.4Å; F25-Y28 HydrophobicContact CZ-CE1 4.49Å; F25-Y28 AromaticContact CZ-CE2 3.28Å; F25-Y28 HydrophobicContact CZ-CE2 3.28Å; F25-Y28 HydrophobicContact CZ-CG 4.03Å; F25-Y28 AromaticContact CZ-CZ 3.87Å |
| 26 | L | 78.6 | Confident | 69.6 | Low | 94 Ų | 94 | 70 Ų | 70 | 49% | 0.492 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | -52.2 | 172.3 | -66.1 | -178.8 | 0 | 0 | 0 | 112.3 | R18 V19 D20 | R18-L26 PolarHBondContact O-N 3.37Å; V19-L26 VanDerWaalsContact C-CD1 3.5Å; V19-L26 WeakPolarHBondContact O-CD1 3.44Å; D20-L26 HydrophobicContact CB-CD1 4.19Å; D20-L26 HydrophobicContact CB-CD2 4.29Å; D20-L26 HydrophobicContact CB-CG 4.26Å |
| 27 | S | 78.4 | Confident | 67.5 | Low | 34 Ų | 34 | 82.5 Ų | 82.5 | 24% | 0.238 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 161.5 | 177.9 | 78.7 | 0 | 0 | 0 | 0 | 113.6 | R18 F25 T29 | R18-S27 PolarHBondContact N-O 2.88Å; R18-S27 PolarHBondContact O-N 2.52Å; F25-S27 VanDerWaalsContact CE2-C 3.43Å; S27-T29 VanDerWaalsContact C-N 3.25Å; S27-T29 PolarHBondContact OG-N 2.74Å |
| 28 | Y | 71 | Confident | 65.1 | Low | 77 Ų | 77 | 93.6 Ų | 93.6 | 30% | 0.302 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -80.1 | -5.2 | 167.4 | -67.3 | -78.2 | 0 | 0 | 0 | 113.1 | V15 V17 F25 V30 L152 A155 | V15-Y28 HydrophobicContact CG1-CD1 4.28Å; V17-Y28 HydrophobicContact CG1-CD1 3.48Å; V17-Y28 VanDerWaalsContact CG1-CD1 3.48Å; V17-Y28 HydrophobicContact CG1-CE1 3.48Å; V17-Y28 VanDerWaalsContact CG1-CE1 3.48Å; V17-Y28 HydrophobicContact CG1-CG 4.45Å; F25-Y28 HydrophobicContact CE1-CE2 4.25Å; F25-Y28 HydrophobicContact CE2-CD1 4.12Å; F25-Y28 AromaticContact CE2-CD2 3.79Å; F25-Y28 HydrophobicContact CE2-CD2 3.79Å; F25-Y28 AromaticContact CE2-CE1 3.96Å; F25-Y28 HydrophobicContact CE2-CE1 3.96Å; F25-Y28 AromaticContact CE2-CE2 3.59Å; F25-Y28 HydrophobicContact CE2-CE2 3.59Å; F25-Y28 HydrophobicContact CE2-CG 4.01Å; F25-Y28 AromaticContact CE2-CZ 3.67Å; F25-Y28 AromaticContact CZ-CD2 3.4Å; F25-Y28 HydrophobicContact CZ-CD2 3.4Å; F25-Y28 VanDerWaalsContact CZ-CD2 3.4Å; F25-Y28 HydrophobicContact CZ-CE1 4.49Å; F25-Y28 AromaticContact CZ-CE2 3.28Å; F25-Y28 HydrophobicContact CZ-CE2 3.28Å; F25-Y28 HydrophobicContact CZ-CG 4.03Å; F25-Y28 AromaticContact CZ-CZ 3.87Å; Y28-V30 PolarHBondContact O-N 2.8Å; Y28-L152 HydrophobicContact CD2-CD2 4.37Å; Y28-L152 HydrophobicContact CE1-CD2 4.46Å; Y28-L152 HydrophobicContact CE2-CD2 3.59Å; Y28-A155 HydrophobicContact CD1-CB 3.92Å; Y28-A155 HydrophobicContact CG-CB 4.04Å |
| 29 | T | 70.6 | Confident | 62.8 | Low | 49 Ų | 49 | 102 Ų | 102 | 30% | 0.301 | 48% | 0.481 | S | S | . | . | trans | -82 | 103.4 | -175.4 | -63.5 | 0 | 0 | 0 | 0 | 111 | S27 | S27-T29 VanDerWaalsContact C-N 3.25Å; S27-T29 PolarHBondContact OG-N 2.74Å | ||
| 30 | V | 69.8 | Low | 60.8 | Low | 2 Ų | 2 | 114.4 Ų | 114.4 | 1% | 0.012 | 53% | 0.527 | C | S | . | . | trans | -92.8 | -6.6 | 177.5 | -59.6 | 0 | 0 | 0 | 0 | 114.6 | P16 Y28 Y56 N119 L123 Q156 | P16-V30 HydrophobicContact CB-CG1 4.08Å; P16-V30 VanDerWaalsContact O-CG1 3.29Å; P16-V30 WeakPolarHBondContact O-CG1 3.34Å; Y28-V30 PolarHBondContact O-N 2.8Å; V30-Y56 HydrophobicContact CB-CE1 4.08Å; V30-Y56 HydrophobicContact CG1-CD1 4.15Å; V30-Y56 HydrophobicContact CG1-CE1 3.86Å; V30-Y56 PolarHBondContact O-OH 2.79Å; V30-N119 WeakPolarHBondContact O-CB 3.28Å; V30-L123 HydrophobicContact CB-CD2 4.27Å; V30-L123 HydrophobicContact CB-CG 4.03Å; V30-L123 HydrophobicContact CG1-CG 4.29Å; V30-L123 HydrophobicContact CG2-CG 4.48Å; V30-Q156 HydrophobicContact CG2-CB 4.46Å | ||
| 31 | K | 62.6 | Low | 58.4 | Low | 106 Ų | 106 | 116.8 Ų | 116.8 | 46% | 0.461 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -89 | 142 | -176.2 | -61.9 | -178.6 | -175.3 | 174.8 | 0 | 112.2 | Q33 N119 | K31-Q33 PolarHBondContact O-N 2.92Å; K31-N119 WeakPolarHBondContact CA-O 3.35Å |
| 32 | H | 59.8 | Low | 56.5 | Low | 71 Ų | 71 | 120.6 Ų | 120.6 | 33% | 0.329 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 117.7 | 167 | -173.9 | 72.3 | 0 | 0 | 0 | 110.8 | C100 N119 | H32-C100 HydrophobicContact CB-CB 3.92Å; H32-N119 PolarHBondContact N-O 2.61Å |
| 33 | Q | 50.6 | Low | 54.7 | Low | 150 Ų | 150 | 120.5 Ų | 120.5 | 70% | 0.701 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 119.2 | 173 | -66.5 | -168.7 | 7.1 | 0 | 0 | 110.2 | K31 | K31-Q33 PolarHBondContact O-N 2.92Š|
| 34 | R | 45.3 | Very low | 52.6 | Low | 162 Ų | 162 | 126.9 Ų | 126.9 | 61% | 0.611 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 138.4 | 166.6 | -67.7 | -175.6 | 179.5 | 177.2 | 2.6 | 109.4 | G36 D98 | R34-G36 VanDerWaalsContact C-N 3.33Å; R34-G36 PolarHBondContact O-N 2.86Å; R34-D98 IonicContact CZ-OD1 2.71Å; R34-D98 VanDerWaalsContact CZ-OD1 3.22Å; R34-D98 IonicContact CZ-OD2 3.58Å; R34-D98 IonicContact NE-OD1 2.87Å; R34-D98 PolarHBondContact NE-OD1 2.79Å; R34-D98 IonicContact NH2-OD1 2.64Å; R34-D98 PolarHBondContact NH2-OD1 2.67Å; R34-D98 IonicContact NH2-OD2 3.89Å; R34-D98 PolarHBondContact NH2-OD2 3.08Å |
| 35 | P | 36.5 | Very low | 50.8 | Low | 138 Ų | 138 | 128.4 Ų | 128.4 | 90% | 0.896 | 64% | 0.637 | S | S | * | * | trans | -72.1 | 82.3 | 178.5 | 29.2 | -35 | 0 | 0 | 0 | 111.9 | ||||
| 36 | G | 35 | Very low | 48.5 | Very low | 61 Ų | 61 | 128 Ų | 128 | 63% | 0.629 | 65% | 0.65 | S | S | * | * | trans | -84.2 | 140.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R34 R38 | R34-G36 VanDerWaalsContact C-N 3.33Å; R34-G36 PolarHBondContact O-N 2.86Å; G36-R38 PolarHBondContact O-N 3.35Å; G36-R38 VanDerWaalsContact O-N 3.08Å | ||
| 37 | R | 41.2 | Very low | 46.6 | Very low | 262 Ų | 262 | 128.2 Ų | 128.2 | 99% | 0.989 | 67% | 0.666 | S | S | * | * | trans | -44.1 | 111.7 | 179.7 | -75.4 | 176 | 167.4 | 171.6 | -4.7 | 113.1 | ||||
| 38 | R | 33.3 | Very low | 44.8 | Very low | 247 Ų | 247 | 130.9 Ų | 130.9 | 93% | 0.932 | 68% | 0.677 | S | S | * | * | trans | -120.7 | 156.9 | 157.6 | -85.4 | -172.1 | 166.8 | -170 | -3.6 | 110.9 | G36 | G36-R38 PolarHBondContact O-N 3.35Å; G36-R38 VanDerWaalsContact O-N 3.08Å | ||
| 39 | R | 37.3 | Very low | 43.2 | Very low | 241 Ų | 241 | 131.5 Ų | 131.5 | 91% | 0.909 | 69% | 0.691 | S | S | * | * | trans | -72.6 | 160.4 | -173.1 | -74.4 | 176.5 | 168.4 | 166.2 | -5.2 | 111.8 | A41 | R39-A41 PolarHBondContact O-N 3.23Š| ||
| 40 | R | 39.3 | Very low | 41.6 | Very low | 262 Ų | 262 | 135.2 Ų | 135.2 | 99% | 0.989 | 72% | 0.716 | S | S | * | * | trans | -48.7 | 118.2 | 174.6 | -66.9 | 177 | 178.2 | 164.6 | -2.3 | 111.5 | ||||
| 41 | A | 30.1 | Very low | 40.6 | Very low | 93 Ų | 93 | 138.5 Ų | 138.5 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -139.4 | 166.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | R39 | R39-A41 PolarHBondContact O-N 3.23Š| ||
| 42 | L | 37.3 | Very low | 40.4 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 92% | 0.921 | 74% | 0.741 | S | S | * | * | trans | -73.2 | 165.5 | -173.2 | -71.9 | 91.9 | 0 | 0 | 0 | 112.9 | ||||
| 43 | A | 37.8 | Very low | 41 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 88% | 0.876 | 75% | 0.751 | S | S | * | * | trans | -56.2 | 143.1 | -163.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 44 | D | 28.4 | Very low | 42.5 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | -136.9 | 115.5 | 170.6 | -171.5 | 9.8 | 0 | 0 | 0 | 108.7 | A46 | D44-A46 PolarHBondContact O-N 3.16Š| ||
| 45 | P | 41 | Very low | 44.5 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 84% | 0.838 | 69% | 0.693 | S | S | * | * | trans | -92.2 | 66.5 | -165.1 | 36.6 | -36.6 | 0 | 0 | 0 | 113.5 | ||||
| 46 | A | 34.8 | Very low | 47 | Very low | 84 Ų | 84 | 118.4 Ų | 118.4 | 69% | 0.694 | 65% | 0.651 | S | S | * | * | trans | -141.2 | 60.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D44 | D44-A46 PolarHBondContact O-N 3.16Š| ||
| 47 | A | 37.9 | Very low | 49.5 | Very low | 98 Ų | 98 | 120.1 Ų | 120.1 | 81% | 0.81 | 64% | 0.638 | S | S | * | * | trans | -117.2 | 102.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 48 | D | 40.7 | Very low | 51.8 | Low | 90 Ų | 90 | 107.7 Ų | 107.7 | 48% | 0.481 | 59% | 0.592 | S | S | . | * | trans | -65.5 | 132.6 | -175.4 | -71.3 | -55 | 0 | 0 | 0 | 112.3 | R18 | R18-D48 IonicContact CZ-OD2 3.5Å; R18-D48 IonicContact NH1-OD2 3.66Å; R18-D48 PolarHBondContact NH1-OD2 2.94Å; R18-D48 IonicContact NH2-OD1 3.42Å; R18-D48 IonicContact NH2-OD2 3.5Å; R18-D48 PolarHBondContact NH2-OD2 2.81Å | ||
| 49 | P | 37.8 | Very low | 54.1 | Low | 90 Ų | 90 | 98.4 Ų | 98.4 | 58% | 0.584 | 57% | 0.565 | S | S | * | * | trans | -74.3 | 159.1 | -179.3 | 30.4 | -35.6 | 0 | 0 | 0 | 113 | G51 S52 | P49-G51 PolarHBondContact O-N 2.75Å; P49-S52 PolarHBondContact O-N 2.83Å; P49-S52 VanDerWaalsContact O-N 3.13Å | ||
| 50 | P | 38.2 | Very low | 56.1 | Low | 127 Ų | 127 | 87.1 Ų | 87.1 | 83% | 0.825 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 91.7 | -176.1 | 27.9 | -35.8 | 0 | 0 | 0 | 112.4 | ||
| 51 | G | 48.8 | Very low | 57.9 | Low | 72 Ų | 72 | 77.1 Ų | 77.1 | 74% | 0.742 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 147.1 | -8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | P49 R53 | P49-G51 PolarHBondContact O-N 2.75Å; G51-R53 PolarHBondContact O-N 2.83Å |
| 52 | S | 56.7 | Low | 59.8 | Low | 38 Ų | 38 | 76.7 Ų | 76.7 | 27% | 0.266 | 49% | 0.49 | S | S | . | . | trans | -54.9 | 127.8 | 179.5 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | P49 | P49-S52 PolarHBondContact O-N 2.83Å; P49-S52 VanDerWaalsContact O-N 3.13Å | ||
| 53 | R | 73.3 | Confident | 61.5 | Low | 141 Ų | 141 | 71.2 Ų | 71.2 | 53% | 0.532 | 46% | 0.459 | S | S | . | . | trans | -70.5 | 146.6 | 158.9 | -64.1 | 176.1 | -177.3 | 155.3 | 1.7 | 109.4 | E21 G51 F55 L69 | E21-R53 IonicContact OE1-NH1 3.92Å; E21-R53 PolarHBondContact OE1-NH1 2.92Å; G51-R53 PolarHBondContact O-N 2.83Å; R53-F55 HydrophobicContact CB-CE2 3.93Å; R53-F55 HydrophobicContact CB-CZ 4.12Å; R53-L69 CarbonylContact C-O 3.57Å; R53-L69 WeakPolarHBondContact CA-O 3.26Å | ||
| 54 | I | 82.9 | Confident | 63.5 | Low | 7 Ų | 7 | 73.3 Ų | 73.3 | 4% | 0.036 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 142.8 | 171.6 | 69.4 | 175.8 | 0 | 0 | 0 | 110 | Y56 L69 Y102 | I54-Y56 HydrophobicContact CD1-CE2 3.61Å; I54-Y56 HydrophobicContact CG1-CE2 4.09Å; I54-L69 HydrophobicContact CG1-CB 3.98Å; I54-L69 PolarHBondContact N-O 2.83Å; I54-L69 WeakPolarHBondContact O-CA 3.25Å; I54-L69 WeakPolarHBondContact O-CB 3.45Å; I54-L69 PolarHBondContact O-N 2.66Å; I54-Y102 HydrophobicContact CD1-CD1 3.72Å; I54-Y102 HydrophobicContact CD1-CD2 4.08Å; I54-Y102 HydrophobicContact CD1-CE1 3.43Å; I54-Y102 VanDerWaalsContact CD1-CE1 3.43Å; I54-Y102 HydrophobicContact CD1-CE2 3.8Å; I54-Y102 HydrophobicContact CD1-CG 4.08Å; I54-Y102 HydrophobicContact CG1-CD1 3.91Å; I54-Y102 HydrophobicContact CG1-CE1 3.87Å |
| 55 | F | 86.7 | Confident | 66.2 | Low | 14 Ų | 14 | 66.6 Ų | 66.6 | 6% | 0.061 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 141.4 | -176.9 | -53.8 | -104.5 | 0 | 0 | 0 | 110.3 | R18 V19 E21 R53 L67 N68 | R18-F55 WeakPolarHBondContact CA-O 3.3Å; V19-F55 HydrophobicContact CG2-CB 3.57Å; V19-F55 PolarHBondContact N-O 2.81Å; V19-F55 WeakPolarHBondContact O-CB 3.45Å; E21-F55 HydrophobicContact CB-CD2 4.34Å; E21-F55 HydrophobicContact CB-CE1 4.06Å; E21-F55 HydrophobicContact CB-CE2 3.66Å; E21-F55 HydrophobicContact CB-CZ 3.5Å; E21-F55 VanDerWaalsContact CB-CZ 3.5Å; E21-F55 HydrophobicContact CG-CE1 3.87Å; E21-F55 HydrophobicContact CG-CE2 4.18Å; E21-F55 HydrophobicContact CG-CZ 3.49Å; E21-F55 VanDerWaalsContact CG-CZ 3.49Å; R53-F55 HydrophobicContact CB-CE2 3.93Å; R53-F55 HydrophobicContact CB-CZ 4.12Å; F55-L67 VanDerWaalsContact CA-O 3.23Å; F55-L67 WeakPolarHBondContact CA-O 3.29Å; F55-N68 HydrophobicContact CD1-CB 3.75Å; F55-N68 HydrophobicContact CE1-CB 3.67Å; F55-N68 WeakPolarHBondContact CE1-ND2 3.42Å; F55-N68 WeakPolarHBondContact CE1-OD1 3.32Å |
| 56 | Y | 89.1 | Confident | 68.5 | Low | 5 Ų | 5 | 62 Ų | 62 | 2% | 0.02 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 145.6 | 175.1 | -69.6 | -74.1 | 0 | 0 | 0 | 110.5 | V17 R18 V30 I54 L67 L69 N119 L123 | V17-Y56 CarbonylContact O-C 3.58Å; V17-Y56 VanDerWaalsContact O-CA 3.25Å; V17-Y56 WeakPolarHBondContact O-CA 3.48Å; R18-Y56 HydrophobicContact CB-CD1 4.03Å; R18-Y56 HydrophobicContact CB-CE1 3.82Å; R18-Y56 HydrophobicContact CG-CD1 4.43Å; R18-Y56 HydrophobicContact CG-CE1 4.1Å; V30-Y56 HydrophobicContact CB-CE1 4.08Å; V30-Y56 HydrophobicContact CG1-CD1 4.15Å; V30-Y56 HydrophobicContact CG1-CE1 3.86Å; V30-Y56 PolarHBondContact O-OH 2.79Å; I54-Y56 HydrophobicContact CD1-CE2 3.61Å; I54-Y56 HydrophobicContact CG1-CE2 4.09Å; Y56-L67 PolarHBondContact N-O 2.69Å; Y56-L67 PolarHBondContact O-N 2.95Å; Y56-L69 HydrophobicContact CD2-CD1 3.71Å; Y56-L69 HydrophobicContact CE2-CD1 4.09Å; Y56-N119 PolarHBondContact OH-ND2 3.04Å; Y56-L123 HydrophobicContact CD1-CD1 4.35Å; Y56-L123 HydrophobicContact CD2-CD1 4.35Å; Y56-L123 HydrophobicContact CD2-CD2 4.19Å; Y56-L123 HydrophobicContact CE1-CD2 4.48Å; Y56-L123 HydrophobicContact CE2-CD2 3.87Å; Y56-L123 HydrophobicContact CG-CD1 4.12Å |
| 57 | R | 86.8 | Confident | 71 | Confident | 96 Ų | 96 | 58 Ų | 58 | 36% | 0.362 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.1 | 172.1 | -173.7 | 174.8 | 66.6 | -151.6 | -2.7 | 110.2 | P16 V17 V19 G23 F65 | P16-R57 WeakPolarHBondContact CA-O 3.19Å; V17-R57 HydrophobicContact CG2-CB 4.05Å; V17-R57 WeakPolarHBondContact CG2-O 3.32Å; V17-R57 PolarHBondContact N-O 2.88Å; V17-R57 PolarHBondContact O-N 2.59Å; V19-R57 HydrophobicContact CG1-CB 3.8Å; V19-R57 HydrophobicContact CG2-CB 4.36Å; G23-R57 PolarHBondContact O-NH1 2.81Å; R57-F65 WeakPolarHBondContact CA-O 3.17Å |
| 58 | L | 89.2 | Confident | 73.3 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 163.6 | 173.2 | 63 | 92.9 | 0 | 0 | 0 | 110.4 | T14 P16 F65 L67 L123 I127 I136 I160 | T14-L58 HydrophobicContact CG2-CB 4.37Å; T14-L58 HydrophobicContact CG2-CD1 4.36Å; P16-L58 HydrophobicContact CB-CB 3.91Å; P16-L58 HydrophobicContact CB-CD2 4Å; P16-L58 HydrophobicContact CG-CB 4.13Å; P16-L58 HydrophobicContact CG-CD2 4.02Å; L58-F65 HydrophobicContact CD1-CB 3.82Å; L58-F65 HydrophobicContact CD1-CD2 3.7Å; L58-F65 HydrophobicContact CD1-CG 3.99Å; L58-F65 HydrophobicContact CG-CB 3.99Å; L58-F65 PolarHBondContact N-O 2.87Å; L58-F65 PolarHBondContact O-N 2.99Å; L58-L67 HydrophobicContact CD2-CD1 3.77Å; L58-L67 HydrophobicContact CG-CD1 4.49Å; L58-L123 HydrophobicContact CD2-CD1 4.36Å; L58-I127 HydrophobicContact CD1-CD1 4.13Å; L58-I127 HydrophobicContact CD2-CD1 4.04Å; L58-I136 HydrophobicContact CD1-CD1 4.45Å; L58-I136 HydrophobicContact CD2-CD1 3.59Å; L58-I160 HydrophobicContact CD1-CD1 3.79Å |
| 59 | S | 81.1 | Confident | 75.3 | Confident | 52 Ų | 52 | 50 Ų | 50 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 132.6 | -175.2 | -49.1 | 0 | 0 | 0 | 0 | 111.1 | T14 K63 H64 | T14-S59 WeakPolarHBondContact CB-O 3.48Å; T14-S59 PolarHBondContact OG1-N 2.83Å; T14-S59 PolarHBondContact OG1-O 2.91Å; S59-K63 WeakPolarHBondContact CA-O 3.47Å; S59-H64 PolarHBondContact OG-ND1 2.84Å |
| 60 | A | 80.8 | Confident | 77.3 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 151.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G62 K63 F65 I160 | A60-G62 PolarHBondContact O-N 2.65Å; A60-G62 VanDerWaalsContact O-N 3.11Å; A60-K63 PolarHBondContact N-O 2.77Å; A60-K63 PolarHBondContact O-N 2.74Å; A60-F65 HydrophobicContact CB-CE2 4.06Å; A60-F65 WeakPolarHBondContact O-CE2 3.27Å; A60-I160 HydrophobicContact CB-CB 4.49Å; A60-I160 HydrophobicContact CB-CD1 3.87Å; A60-I160 HydrophobicContact CB-CG1 4.2Å; A60-I160 HydrophobicContact CB-CG2 3.52Å |
| 61 | Y | 76.4 | Confident | 78.7 | Confident | 52 Ų | 52 | 44.6 Ų | 44.6 | 20% | 0.204 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 37.9 | 177.8 | -61 | -86 | 0 | 0 | 0 | 113.7 | H10 Y11 Q12 K63 Y134 Y161 K162 | H10-Y61 PolarHBondContact O-OH 2.94Å; Y11-Y61 WeakPolarHBondContact CA-OH 3.46Å; Q12-Y61 HydrophobicContact CB-CE2 4.41Å; Q12-Y61 HydrophobicContact CG-CD1 4.45Å; Q12-Y61 HydrophobicContact CG-CE1 4.15Å; Q12-Y61 HydrophobicContact CG-CE2 4.25Å; Y61-K63 PolarHBondContact O-N 2.83Å; Y61-Y134 AromaticContact CD2-CD1 3.81Å; Y61-Y134 HydrophobicContact CD2-CD1 3.81Å; Y61-Y134 AromaticContact CD2-CE1 3.6Å; Y61-Y134 HydrophobicContact CD2-CE1 3.6Å; Y61-Y134 HydrophobicContact CE2-CD1 4.06Å; Y61-Y134 HydrophobicContact CE2-CE1 4.21Å; Y61-Y134 HydrophobicContact CG-CE1 4.07Å; Y61-Y161 WeakPolarHBondContact OH-CA 3.33Å; Y61-K162 HydrophobicContact CE2-CG 4.45Å |
| 62 | G | 69.4 | Low | 79.3 | Confident | 84 Ų | 84 | 45 Ų | 45 | 87% | 0.866 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 0.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | A60 | A60-G62 PolarHBondContact O-N 2.65Å; A60-G62 VanDerWaalsContact O-N 3.11Å |
| 63 | K | 73 | Confident | 79.2 | Confident | 60 Ų | 60 | 46.7 Ų | 46.7 | 26% | 0.261 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 142 | -178.7 | -63.8 | 176.7 | -179.2 | 174.9 | 0 | 111.4 | S59 A60 Y61 F65 E131 D132 Y134 | S59-K63 WeakPolarHBondContact CA-O 3.47Å; A60-K63 PolarHBondContact N-O 2.77Å; A60-K63 PolarHBondContact O-N 2.74Å; Y61-K63 PolarHBondContact O-N 2.83Å; K63-F65 HydrophobicContact CB-CD2 4.42Å; K63-F65 HydrophobicContact CB-CE2 3.75Å; K63-F65 HydrophobicContact CB-CZ 3.82Å; K63-F65 HydrophobicContact CD-CZ 4.27Å; K63-E131 WeakPolarHBondContact CE-OE2 3.48Å; K63-E131 IonicContact NZ-OE2 3.17Å; K63-E131 PolarHBondContact NZ-OE2 2.8Å; K63-D132 IonicContact NZ-OD2 2.7Å; K63-Y134 PolarHBondContact NZ-OH 3.06Å; K63-Y134 VanDerWaalsContact NZ-OH 3.08Å |
| 64 | H | 80.2 | Confident | 78 | Confident | 150 Ų | 150 | 42.9 Ų | 42.9 | 69% | 0.694 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 113.9 | 172.1 | -65.1 | -60 | 0 | 0 | 0 | 110.2 | S59 | S59-H64 PolarHBondContact OG-ND1 2.84Å |
| 65 | F | 85.6 | Confident | 76.2 | Confident | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 104.5 | -177.4 | -60.8 | -89.6 | 0 | 0 | 0 | 109.5 | R57 L58 A60 K63 L67 L106 I127 T129 Y134 | R57-F65 WeakPolarHBondContact CA-O 3.17Å; L58-F65 HydrophobicContact CD1-CB 3.82Å; L58-F65 HydrophobicContact CD1-CD2 3.7Å; L58-F65 HydrophobicContact CD1-CG 3.99Å; L58-F65 HydrophobicContact CG-CB 3.99Å; L58-F65 PolarHBondContact N-O 2.87Å; L58-F65 PolarHBondContact O-N 2.99Å; A60-F65 HydrophobicContact CB-CE2 4.06Å; A60-F65 WeakPolarHBondContact O-CE2 3.27Å; K63-F65 HydrophobicContact CB-CD2 4.42Å; K63-F65 HydrophobicContact CB-CE2 3.75Å; K63-F65 HydrophobicContact CB-CZ 3.82Å; K63-F65 HydrophobicContact CD-CZ 4.27Å; F65-L67 HydrophobicContact CB-CD2 4.26Å; F65-L106 HydrophobicContact CB-CD2 3.85Å; F65-L106 HydrophobicContact CD1-CD1 3.99Å; F65-L106 HydrophobicContact CD1-CD2 4.06Å; F65-L106 HydrophobicContact CG-CD2 4.45Å; F65-I127 HydrophobicContact CD1-CG2 3.63Å; F65-I127 HydrophobicContact CE1-CG2 3.88Å; F65-T129 HydrophobicContact CE1-CG2 4.04Å; F65-Y134 AromaticContact CE1-CD2 3.81Å; F65-Y134 HydrophobicContact CE1-CD2 3.81Å; F65-Y134 AromaticContact CE1-CE2 3.79Å; F65-Y134 HydrophobicContact CE1-CE2 3.79Å; F65-Y134 AromaticContact CZ-CD2 3.76Å; F65-Y134 HydrophobicContact CZ-CD2 3.76Å; F65-Y134 HydrophobicContact CZ-CE1 4.42Å; F65-Y134 AromaticContact CZ-CE2 3.6Å; F65-Y134 HydrophobicContact CZ-CE2 3.6Å; F65-Y134 HydrophobicContact CZ-CG 4.25Å; F65-Y134 AromaticContact CZ-CZ 3.97Å |
| 66 | H | 88.2 | Confident | 74.4 | Confident | 33 Ų | 33 | 47.7 Ų | 47.7 | 15% | 0.153 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 99.4 | 172.8 | -172.8 | 173.7 | 0 | 0 | 0 | 109.4 | V19 G23 L106 R107 | V19-H66 WeakPolarHBondContact CG2-NE2 3.44Å; G23-H66 VanDerWaalsContact CA-CE1 3.41Å; G23-H66 WeakPolarHBondContact CA-CE1 3.43Å; H66-L106 CarbonylContact O-C 3.53Å; H66-L106 WeakPolarHBondContact O-CA 3.37Å; H66-R107 HydrophobicContact CB-CB 4.43Å; H66-R107 VanDerWaalsContact CE1-CD 3.46Å; H66-R107 WeakPolarHBondContact CE1-CD 3.15Å; H66-R107 PolarHBondContact O-N 2.85Å |
| 67 | L | 88 | Confident | 72.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 129.6 | -172.6 | -46.7 | 169.5 | 0 | 0 | 0 | 110 | F55 Y56 L58 F65 L69 L106 V115 L117 I127 | F55-L67 VanDerWaalsContact CA-O 3.23Å; F55-L67 WeakPolarHBondContact CA-O 3.29Å; Y56-L67 PolarHBondContact N-O 2.69Å; Y56-L67 PolarHBondContact O-N 2.95Å; L58-L67 HydrophobicContact CD2-CD1 3.77Å; L58-L67 HydrophobicContact CG-CD1 4.49Å; F65-L67 HydrophobicContact CB-CD2 4.26Å; L67-L69 HydrophobicContact CB-CD2 4.16Å; L67-L69 HydrophobicContact CB-CG 4.25Å; L67-L106 HydrophobicContact CD2-CD2 3.6Å; L67-L106 HydrophobicContact CD2-CG 4.42Å; L67-V115 HydrophobicContact CD2-CB 4.45Å; L67-V115 HydrophobicContact CD2-CG1 4Å; L67-V115 HydrophobicContact CD2-CG2 3.64Å; L67-L117 HydrophobicContact CD1-CD1 3.63Å; L67-I127 HydrophobicContact CD1-CD1 4.25Å; L67-I127 HydrophobicContact CD2-CD1 4Å; L67-I127 HydrophobicContact CD2-CG1 4.12Å; L67-I127 HydrophobicContact CD2-CG2 4.38Å |
| 68 | N | 87.1 | Confident | 70 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 114.7 | 170.3 | 176.7 | -4.2 | 0 | 0 | 0 | 108.2 | F55 G104 S105 | F55-N68 HydrophobicContact CD1-CB 3.75Å; F55-N68 HydrophobicContact CE1-CB 3.67Å; F55-N68 WeakPolarHBondContact CE1-ND2 3.42Å; F55-N68 WeakPolarHBondContact CE1-OD1 3.32Å; N68-G104 WeakPolarHBondContact O-CA 3.26Å; N68-S105 PolarHBondContact N-O 3.12Å; N68-S105 PolarHBondContact O-N 3.27Å; N68-S105 VanDerWaalsContact O-N 3.16Å |
| 69 | L | 81.9 | Confident | 68.3 | Low | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.5 | -166.1 | -55.2 | -174.4 | 0 | 0 | 0 | 113 | R53 I54 Y56 L67 Y102 V115 L117 | R53-L69 CarbonylContact C-O 3.57Å; R53-L69 WeakPolarHBondContact CA-O 3.26Å; I54-L69 HydrophobicContact CG1-CB 3.98Å; I54-L69 PolarHBondContact N-O 2.83Å; I54-L69 WeakPolarHBondContact O-CA 3.25Å; I54-L69 WeakPolarHBondContact O-CB 3.45Å; I54-L69 PolarHBondContact O-N 2.66Å; Y56-L69 HydrophobicContact CD2-CD1 3.71Å; Y56-L69 HydrophobicContact CE2-CD1 4.09Å; L67-L69 HydrophobicContact CB-CD2 4.16Å; L67-L69 HydrophobicContact CB-CG 4.25Å; L69-Y102 HydrophobicContact CB-CD1 4.38Å; L69-Y102 HydrophobicContact CB-CG 4.44Å; L69-V115 HydrophobicContact CD2-CB 3.99Å; L69-V115 HydrophobicContact CD2-CG1 3.61Å; L69-L117 HydrophobicContact CD1-CB 4.43Å; L69-L117 HydrophobicContact CD1-CD1 4.2Å |
| 70 | T | 80.1 | Confident | 67.3 | Low | 63 Ų | 63 | 54.1 Ų | 54.1 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143.3 | 178.2 | -46.6 | 0 | 0 | 0 | 0 | 110.4 | Y102 V103 | T70-Y102 VanDerWaalsContact O-CA 3.3Å; T70-Y102 WeakPolarHBondContact O-CA 3.47Å; T70-V103 PolarHBondContact N-O 3.07Å; T70-V103 PolarHBondContact O-N 2.68Å |
| 71 | L | 67.8 | Low | 66.6 | Low | 39 Ų | 39 | 54.8 Ų | 54.8 | 20% | 0.204 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 128.4 | -173.7 | 177.4 | 65.7 | 0 | 0 | 0 | 112.6 | N73 R99 Y102 | L71-N73 PolarHBondContact O-ND2 3.14Å; L71-R99 VanDerWaalsContact CD1-C 3.46Å; L71-R99 HydrophobicContact CD1-CB 4.08Å; L71-R99 WeakPolarHBondContact CD1-O 3.14Å; L71-R99 HydrophobicContact CD2-CB 4.03Å; L71-Y102 HydrophobicContact CB-CD1 4.05Å; L71-Y102 HydrophobicContact CB-CE1 3.75Å; L71-Y102 HydrophobicContact CD1-CE1 4.07Å; L71-Y102 HydrophobicContact CD1-CE2 4.37Å; L71-Y102 HydrophobicContact CG-CE1 4.48Å |
| 72 | N | 61.7 | Low | 66.5 | Low | 81 Ų | 81 | 52.4 Ų | 52.4 | 43% | 0.433 | 29% | 0.286 | S | S | . | . | trans | -84.3 | 142.3 | 171.1 | -168.6 | 2 | 0 | 0 | 0 | 111.1 | N74 H101 | N72-N74 PolarHBondContact OD1-N 3.28Å; N72-H101 PolarHBondContact N-O 3.02Å | ||
| 73 | N | 54 | Low | 67 | Low | 73 Ų | 73 | 49.1 Ų | 49.1 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | trans | -137.8 | 2.6 | -174.9 | -59.1 | -88.5 | 0 | 0 | 0 | 114.6 | L71 R99 | L71-N73 PolarHBondContact O-ND2 3.14Å; N73-R99 PolarHBondContact OD1-NE 2.83Å; N73-R99 PolarHBondContact OD1-NH2 2.74Å | ||
| 74 | N | 47.9 | Very low | 67.5 | Low | 61 Ų | 61 | 46.4 Ų | 46.4 | 33% | 0.326 | 24% | 0.237 | S | C | . | . | trans | -118.4 | 94.6 | -171.4 | -66 | 6.4 | 0 | 0 | 0 | 110.3 | N72 D453 F454 | N72-N74 PolarHBondContact OD1-N 3.28Å; N74-D453 PolarHBondContact ND2-O 2.81Å; N74-F454 HydrophobicContact CB-CD2 4.28Å; N74-F454 HydrophobicContact CB-CE2 4.29Å | ||
| 75 | L | 45.7 | Very low | 67.7 | Low | 74 Ų | 74 | 40.5 Ų | 40.5 | 39% | 0.387 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -144.3 | -19.9 | 175.6 | -173.6 | 57 | 0 | 0 | 0 | 114.7 | L97 | L75-L97 HydrophobicContact CB-CD2 4.17Å; L75-L97 HydrophobicContact CD2-CD2 4.39Å |
| 76 | V | 48.5 | Very low | 67.4 | Low | 49 Ų | 49 | 40.3 Ų | 40.3 | 30% | 0.297 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -144 | 164.9 | -167.9 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | F80 L97 | V76-F80 HydrophobicContact CB-CB 3.75Å; V76-F80 HydrophobicContact CB-CD1 3.59Å; V76-F80 HydrophobicContact CB-CD2 4.36Å; V76-F80 HydrophobicContact CB-CE1 4.19Å; V76-F80 HydrophobicContact CB-CG 3.66Å; V76-F80 HydrophobicContact CG1-CD1 3.49Å; V76-F80 VanDerWaalsContact CG1-CD1 3.49Å; V76-F80 HydrophobicContact CG1-CE1 3.58Å; V76-F80 HydrophobicContact CG1-CG 3.99Å; V76-F80 HydrophobicContact CG1-CZ 4.17Å; V76-F80 HydrophobicContact CG2-CB 4.09Å; V76-F80 HydrophobicContact CG2-CD1 4.06Å; V76-F80 HydrophobicContact CG2-CG 4.34Å; V76-L97 HydrophobicContact CG1-CD1 4.15Å; V76-L97 HydrophobicContact CG1-CD2 4.29Å; V76-L97 HydrophobicContact CG2-CD1 3.61Å; V76-L97 HydrophobicContact CG2-CD2 4.08Å |
| 77 | S | 39.7 | Very low | 66.7 | Low | 34 Ų | 34 | 45.6 Ų | 45.6 | 24% | 0.238 | 23% | 0.23 | C | C | . | . | trans | -64.4 | 157.1 | 174.9 | 100 | 0 | 0 | 0 | 0 | 112.3 | H79 F80 | S77-H79 PolarHBondContact O-N 2.62Å; S77-H79 VanDerWaalsContact O-N 3.16Å; S77-H79 PolarHBondContact OG-N 2.92Å; S77-F80 VanDerWaalsContact O-CB 3.27Å; S77-F80 WeakPolarHBondContact O-CB 3.37Å; S77-F80 PolarHBondContact O-N 3.15Å; S77-F80 VanDerWaalsContact O-N 3.12Å; S77-F80 WeakPolarHBondContact OG-CA 3.4Å; S77-F80 PolarHBondContact OG-N 3.45Å | ||
| 78 | K | 43.8 | Very low | 65.8 | Low | 167 Ų | 167 | 55.3 Ų | 55.3 | 73% | 0.726 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -27.6 | -177.8 | -175.3 | -174.5 | 173.1 | -165.9 | 0 | 113.7 | ||
| 79 | H | 52.5 | Low | 65 | Low | 76 Ų | 76 | 54.8 Ų | 54.8 | 35% | 0.352 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 18.9 | 179.6 | -67.1 | -91.1 | 0 | 0 | 0 | 112.1 | S77 T81 | S77-H79 PolarHBondContact O-N 2.62Å; S77-H79 VanDerWaalsContact O-N 3.16Å; S77-H79 PolarHBondContact OG-N 2.92Å; H79-T81 PolarHBondContact O-N 2.77Å |
| 80 | F | 60.8 | Low | 64.6 | Low | 12 Ų | 12 | 58.5 Ų | 58.5 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | trans | -56.9 | 124.7 | -176.4 | 177.7 | -106.2 | 0 | 0 | 0 | 111.7 | V76 S77 V82 V280 L283 | V76-F80 HydrophobicContact CB-CB 3.75Å; V76-F80 HydrophobicContact CB-CD1 3.59Å; V76-F80 HydrophobicContact CB-CD2 4.36Å; V76-F80 HydrophobicContact CB-CE1 4.19Å; V76-F80 HydrophobicContact CB-CG 3.66Å; V76-F80 HydrophobicContact CG1-CD1 3.49Å; V76-F80 VanDerWaalsContact CG1-CD1 3.49Å; V76-F80 HydrophobicContact CG1-CE1 3.58Å; V76-F80 HydrophobicContact CG1-CG 3.99Å; V76-F80 HydrophobicContact CG1-CZ 4.17Å; V76-F80 HydrophobicContact CG2-CB 4.09Å; V76-F80 HydrophobicContact CG2-CD1 4.06Å; V76-F80 HydrophobicContact CG2-CG 4.34Å; S77-F80 VanDerWaalsContact O-CB 3.27Å; S77-F80 WeakPolarHBondContact O-CB 3.37Å; S77-F80 PolarHBondContact O-N 3.15Å; S77-F80 VanDerWaalsContact O-N 3.12Å; S77-F80 WeakPolarHBondContact OG-CA 3.4Å; S77-F80 PolarHBondContact OG-N 3.45Å; F80-V82 HydrophobicContact CD1-CG2 4.25Å; F80-V82 HydrophobicContact CE1-CG2 3.31Å; F80-V82 HydrophobicContact CZ-CG2 3.63Å; F80-V280 HydrophobicContact CE2-CG1 4.09Å; F80-L283 HydrophobicContact CE2-CB 3.99Å; F80-L283 HydrophobicContact CZ-CB 3.95Å | ||
| 81 | T | 66.6 | Low | 64.5 | Low | 18 Ų | 18 | 61 Ų | 61 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.3 | 170.1 | 53.6 | 0 | 0 | 0 | 0 | 109.3 | H79 E83 N95 L283 | H79-T81 PolarHBondContact O-N 2.77Å; T81-E83 WeakPolarHBondContact CB-OE1 3.34Å; T81-E83 PolarHBondContact OG1-OE1 2.86Å; T81-N95 WeakPolarHBondContact CG2-ND2 3.32Å; T81-L283 PolarHBondContact O-N 2.84Å |
| 82 | V | 73.4 | Confident | 64.4 | Low | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.6 | 153.4 | -170.8 | 0 | 0 | 0 | 0 | 106.8 | F80 Y84 R93 H94 E253 L283 V285 | F80-V82 HydrophobicContact CD1-CG2 4.25Å; F80-V82 HydrophobicContact CE1-CG2 3.31Å; F80-V82 HydrophobicContact CZ-CG2 3.63Å; V82-Y84 HydrophobicContact CG1-CD2 4.17Å; V82-Y84 HydrophobicContact CG1-CE2 3.72Å; V82-R93 WeakPolarHBondContact O-CA 3.49Å; V82-H94 WeakPolarHBondContact CB-NE2 3.29Å; V82-H94 PolarHBondContact N-O 2.85Å; V82-H94 VanDerWaalsContact N-O 3.14Å; V82-H94 PolarHBondContact O-N 2.94Å; V82-E253 HydrophobicContact CG1-CG 4.27Å; V82-L283 WeakPolarHBondContact CA-O 3.41Å; V82-L283 HydrophobicContact CG1-CD2 4.33Å; V82-L283 HydrophobicContact CG1-CG 4.39Å; V82-L283 HydrophobicContact CG2-CD2 4.49Å; V82-V285 HydrophobicContact CG1-CG2 4.45Å |
| 83 | E | 81.1 | Confident | 64.8 | Low | 15 Ų | 15 | 69.5 Ų | 69.5 | 7% | 0.07 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 124.3 | -178.6 | -63.2 | 170.8 | -142.5 | 0 | 0 | 110 | T81 W85 R93 R282 L283 I284 V285 | T81-E83 WeakPolarHBondContact CB-OE1 3.34Å; T81-E83 PolarHBondContact OG1-OE1 2.86Å; E83-W85 PolarHBondContact OE2-NE1 3.44Å; E83-R93 HydrophobicContact CG-CB 3.9Å; E83-R282 VanDerWaalsContact CD-NH2 3.33Å; E83-R282 IonicContact OE1-CZ 3.73Å; E83-R282 IonicContact OE1-NE 2.83Å; E83-R282 PolarHBondContact OE1-NE 2.86Å; E83-R282 IonicContact OE1-NH2 3.75Å; E83-R282 PolarHBondContact OE1-NH2 2.86Å; E83-R282 VanDerWaalsContact OE1-NH2 3.16Å; E83-R282 IonicContact OE2-CZ 3.29Å; E83-R282 IonicContact OE2-NE 2.76Å; E83-R282 IonicContact OE2-NH2 3.22Å; E83-R282 PolarHBondContact OE2-NH2 3.38Å; E83-L283 PolarHBondContact N-O 3.19Å; E83-I284 WeakPolarHBondContact O-CA 3.5Å; E83-V285 PolarHBondContact O-N 3.38Å |
| 84 | Y | 82.6 | Confident | 65.2 | Low | 3 Ų | 3 | 67.6 Ų | 67.6 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 117.9 | 173.8 | -75.2 | -97.2 | 0 | 0 | 0 | 109.3 | V82 E91 W92 R249 E253 V285 T287 | V82-Y84 HydrophobicContact CG1-CD2 4.17Å; V82-Y84 HydrophobicContact CG1-CE2 3.72Å; Y84-E91 PolarHBondContact O-N 2.03Å; Y84-W92 AromaticContact CD2-CE3 3.47Å; Y84-W92 HydrophobicContact CD2-CE3 3.47Å; Y84-W92 VanDerWaalsContact CD2-CE3 3.47Å; Y84-W92 AromaticContact CD2-CZ3 3.77Å; Y84-W92 HydrophobicContact CD2-CZ3 3.77Å; Y84-W92 AromaticContact CE2-CE3 3.94Å; Y84-W92 HydrophobicContact CE2-CE3 3.94Å; Y84-W92 AromaticContact CE2-CZ3 3.73Å; Y84-W92 HydrophobicContact CE2-CZ3 3.73Å; Y84-W92 HydrophobicContact CG-CE3 4.24Å; Y84-W92 PolarHBondContact N-O 3.35Å; Y84-W92 PolarHBondContact O-N 2.76Å; Y84-R249 HydrophobicContact CD1-CG 3.99Å; Y84-R249 VanDerWaalsContact CD1-NE 3.33Å; Y84-R249 HydrophobicContact CE1-CG 3.38Å; Y84-E253 PolarHBondContact OH-OE1 2.96Å; Y84-V285 VanDerWaalsContact CA-O 3.29Å; Y84-V285 WeakPolarHBondContact CA-O 3.39Å; Y84-V285 HydrophobicContact CD1-CB 3.77Å; Y84-V285 HydrophobicContact CD1-CG1 3.73Å; Y84-V285 HydrophobicContact CE1-CB 3.7Å; Y84-V285 HydrophobicContact CE1-CG1 3.42Å; Y84-V285 VanDerWaalsContact CE1-CG1 3.42Å; Y84-V285 HydrophobicContact CE1-CG2 4.27Å; Y84-V285 HydrophobicContact CG-CB 4.28Å; Y84-T287 HydrophobicContact CD1-CG2 3.9Å |
| 85 | W | 83.8 | Confident | 65.5 | Low | 26 Ų | 26 | 69.4 Ų | 69.4 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.3 | -175 | -70 | 39.4 | 0 | 0 | 0 | 110.1 | E83 G89 P90 I284 V285 L286 T287 Q290 W309 I313 | E83-W85 PolarHBondContact OE2-NE1 3.44Å; W85-G89 CarbonylContact C-O 3.59Å; W85-G89 WeakPolarHBondContact CA-O 3.26Å; W85-P90 HydrophobicContact CD2-CB 4.43Å; W85-P90 HydrophobicContact CG-CB 4.32Å; W85-I284 HydrophobicContact CD2-CG2 4.18Å; W85-I284 HydrophobicContact CG-CG2 3.94Å; W85-I284 HydrophobicContact CZ2-CD1 4.12Å; W85-V285 PolarHBondContact N-O 2.88Å; W85-L286 HydrophobicContact CB-CD2 3.83Å; W85-L286 HydrophobicContact CG-CD2 4.34Å; W85-T287 PolarHBondContact O-N 3.19Å; W85-T287 PolarHBondContact O-OG1 2.81Å; W85-Q290 PolarHBondContact O-NE2 3.36Å; W85-W309 AromaticContact CE3-CZ2 3.95Å; W85-W309 HydrophobicContact CE3-CZ2 3.95Å; W85-W309 HydrophobicContact CH2-CZ2 4.25Å; W85-W309 HydrophobicContact CZ3-CH2 4.47Å; W85-W309 AromaticContact CZ3-CZ2 3.67Å; W85-W309 HydrophobicContact CZ3-CZ2 3.67Å; W85-I313 HydrophobicContact CH2-CB 4.49Å; W85-I313 HydrophobicContact CH2-CG2 3.68Å; W85-I313 HydrophobicContact CZ3-CG2 4.16Å |
| 86 | G | 80 | Confident | 65.5 | Low | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -169.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E88 G89 Q290 | G86-E88 PolarHBondContact O-N 3.4Å; G86-E88 VanDerWaalsContact O-N 3.1Å; G86-G89 PolarHBondContact N-O 3.47Å; G86-G89 PolarHBondContact O-N 2.92Å; G86-Q290 PolarHBondContact O-NE2 2.05Å; G86-Q290 PolarHBondContact O-OE1 3.16Å |
| 87 | K | 74.4 | Confident | 65.7 | Low | 144 Ų | 144 | 71 Ų | 71 | 63% | 0.626 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.2 | -169.1 | -166.9 | 171.1 | 177.8 | 173.3 | 0 | 115.7 | E288 | K87-E288 HydrophobicContact CB-CB 4.37Š|
| 88 | E | 68.5 | Low | 66.3 | Low | 203 Ų | 203 | 72.2 Ų | 72.2 | 95% | 0.949 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 13 | 180 | -61.5 | -177.5 | -177.4 | 0 | 0 | 112.5 | G86 | G86-E88 PolarHBondContact O-N 3.4Å; G86-E88 VanDerWaalsContact O-N 3.1Å |
| 89 | G | 69.3 | Low | 67.1 | Low | 10 Ų | 10 | 70.4 Ų | 70.4 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 107.2 | -151.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | W85 G86 E91 | W85-G89 CarbonylContact C-O 3.59Å; W85-G89 WeakPolarHBondContact CA-O 3.26Å; G86-G89 PolarHBondContact N-O 3.47Å; G86-G89 PolarHBondContact O-N 2.92Å; G89-E91 PolarHBondContact O-N 2.9Å |
| 90 | P | 74.4 | Confident | 67.7 | Low | 78 Ų | 78 | 66.8 Ų | 66.8 | 51% | 0.506 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 101.3 | -173.1 | 26.1 | -34.3 | 0 | 0 | 0 | 113 | W85 | W85-P90 HydrophobicContact CD2-CB 4.43Å; W85-P90 HydrophobicContact CG-CB 4.32Å |
| 91 | E | 77.6 | Confident | 68.1 | Low | 116 Ų | 116 | 70.2 Ų | 70.2 | 54% | 0.542 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | -42.7 | 175.3 | -67 | -179.1 | 163.7 | 0 | 0 | 112.2 | Y84 G89 R249 | Y84-E91 PolarHBondContact O-N 2.03Å; G89-E91 PolarHBondContact O-N 2.9Å; E91-R249 IonicContact OE2-NH2 2.86Å |
| 92 | W | 66.3 | Low | 68.6 | Low | 133 Ų | 133 | 70.5 Ų | 70.5 | 50% | 0.504 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 134.2 | -171.7 | -173.3 | 67.7 | 0 | 0 | 0 | 110.7 | Y84 H94 | Y84-W92 AromaticContact CD2-CE3 3.47Å; Y84-W92 HydrophobicContact CD2-CE3 3.47Å; Y84-W92 VanDerWaalsContact CD2-CE3 3.47Å; Y84-W92 AromaticContact CD2-CZ3 3.77Å; Y84-W92 HydrophobicContact CD2-CZ3 3.77Å; Y84-W92 AromaticContact CE2-CE3 3.94Å; Y84-W92 HydrophobicContact CE2-CE3 3.94Å; Y84-W92 AromaticContact CE2-CZ3 3.73Å; Y84-W92 HydrophobicContact CE2-CZ3 3.73Å; Y84-W92 HydrophobicContact CG-CE3 4.24Å; Y84-W92 PolarHBondContact N-O 3.35Å; Y84-W92 PolarHBondContact O-N 2.76Å; W92-H94 HydrophobicContact CH2-CB 4.18Å; W92-H94 AromaticContact CH2-CD2 3.13Å; W92-H94 WeakPolarHBondContact CH2-CD2 3.43Å; W92-H94 AromaticContact CH2-CG 3.66Å; W92-H94 AromaticContact CH2-NE2 3.52Å; W92-H94 HydrophobicContact CZ2-CB 4.07Å; W92-H94 AromaticContact CZ2-CD2 3.87Å; W92-H94 AromaticContact CZ3-CD2 3.25Å; W92-H94 WeakPolarHBondContact CZ3-CD2 3.39Å; W92-H94 AromaticContact CZ3-NE2 3.54Å |
| 93 | R | 70.4 | Confident | 68.8 | Low | 166 Ų | 166 | 73.9 Ų | 73.9 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 143.9 | 176.9 | 62.9 | -179.7 | 178 | 166.5 | -0.3 | 110.3 | V82 E83 | V82-R93 WeakPolarHBondContact O-CA 3.49Å; E83-R93 HydrophobicContact CG-CB 3.9Å |
| 94 | H | 60.9 | Low | 68.8 | Low | 33 Ų | 33 | 74.3 Ų | 74.3 | 15% | 0.153 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 137.9 | 166.7 | 67.3 | 117.5 | 0 | 0 | 0 | 112.4 | V82 W92 V96 E253 | V82-H94 WeakPolarHBondContact CB-NE2 3.29Å; V82-H94 PolarHBondContact N-O 2.85Å; V82-H94 VanDerWaalsContact N-O 3.14Å; V82-H94 PolarHBondContact O-N 2.94Å; W92-H94 HydrophobicContact CH2-CB 4.18Å; W92-H94 AromaticContact CH2-CD2 3.13Å; W92-H94 WeakPolarHBondContact CH2-CD2 3.43Å; W92-H94 AromaticContact CH2-CG 3.66Å; W92-H94 AromaticContact CH2-NE2 3.52Å; W92-H94 HydrophobicContact CZ2-CB 4.07Å; W92-H94 AromaticContact CZ2-CD2 3.87Å; W92-H94 AromaticContact CZ3-CD2 3.25Å; W92-H94 WeakPolarHBondContact CZ3-CD2 3.39Å; W92-H94 AromaticContact CZ3-NE2 3.54Å; H94-V96 PolarHBondContact ND1-O 3.5Å; H94-E253 IonicContact CE1-OE2 2.72Å; H94-E253 IonicContact NE2-OE1 2.88Å |
| 95 | N | 55.3 | Low | 68.7 | Low | 99 Ų | 99 | 75 Ų | 75 | 53% | 0.529 | 36% | 0.363 | S | S | . | . | trans | -102.4 | 10.1 | 166.2 | -46.5 | 52.4 | 0 | 0 | 0 | 109.7 | T81 | T81-N95 WeakPolarHBondContact CG2-ND2 3.32Š| ||
| 96 | V | 44.8 | Very low | 68.7 | Low | 80 Ų | 80 | 74.1 Ų | 74.1 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | trans | -103.6 | 108.2 | -171.7 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | H94 | H94-V96 PolarHBondContact ND1-O 3.5Š| ||
| 97 | L | 52.5 | Low | 68.4 | Low | 77 Ų | 77 | 78.8 Ų | 78.8 | 40% | 0.403 | 38% | 0.378 | S | S | . | . | trans | -82.1 | 123.7 | 150.5 | -78.7 | 69.8 | 0 | 0 | 0 | 106.6 | L75 V76 R99 | L75-L97 HydrophobicContact CB-CD2 4.17Å; L75-L97 HydrophobicContact CD2-CD2 4.39Å; V76-L97 HydrophobicContact CG1-CD1 4.15Å; V76-L97 HydrophobicContact CG1-CD2 4.29Å; V76-L97 HydrophobicContact CG2-CD1 3.61Å; V76-L97 HydrophobicContact CG2-CD2 4.08Å; L97-R99 PolarHBondContact O-N 3.21Å | ||
| 98 | D | 52.4 | Low | 67.8 | Low | 59 Ų | 59 | 76.8 Ų | 76.8 | 32% | 0.316 | 38% | 0.382 | S | S | . | . | trans | -64.8 | 130.2 | 170.8 | -83.2 | -57.9 | 0 | 0 | 0 | 109 | R34 C100 | R34-D98 IonicContact CZ-OD1 2.71Å; R34-D98 VanDerWaalsContact CZ-OD1 3.22Å; R34-D98 IonicContact CZ-OD2 3.58Å; R34-D98 IonicContact NE-OD1 2.87Å; R34-D98 PolarHBondContact NE-OD1 2.79Å; R34-D98 IonicContact NH2-OD1 2.64Å; R34-D98 PolarHBondContact NH2-OD1 2.67Å; R34-D98 IonicContact NH2-OD2 3.89Å; R34-D98 PolarHBondContact NH2-OD2 3.08Å; D98-C100 VanDerWaalsContact C-SG 3.58Å; D98-C100 WeakPolarHBondContact CB-SG 3.44Å; D98-C100 PolarHBondContact O-N 2.65Å; D98-C100 PolarHBondContact O-SG 2.87Å | ||
| 99 | R | 60.7 | Low | 67.5 | Low | 128 Ų | 128 | 70.6 Ų | 70.6 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -81 | 61.7 | -175.6 | -66.5 | -174.5 | 82.4 | -156.4 | 2 | 111 | L71 N73 L97 Y102 | L71-R99 VanDerWaalsContact CD1-C 3.46Å; L71-R99 HydrophobicContact CD1-CB 4.08Å; L71-R99 WeakPolarHBondContact CD1-O 3.14Å; L71-R99 HydrophobicContact CD2-CB 4.03Å; N73-R99 PolarHBondContact OD1-NE 2.83Å; N73-R99 PolarHBondContact OD1-NH2 2.74Å; L97-R99 PolarHBondContact O-N 3.21Å; R99-Y102 PolarHBondContact O-OH 3.46Å |
| 100 | C | 65.1 | Low | 67 | Low | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.007 | 37% | 0.37 | C | S | . | . | trans | -134.2 | 9.1 | -170.2 | 53.2 | 0 | 0 | 0 | 0 | 114 | H32 D98 Y102 S118 N119 C120 | H32-C100 HydrophobicContact CB-CB 3.92Å; D98-C100 VanDerWaalsContact C-SG 3.58Å; D98-C100 WeakPolarHBondContact CB-SG 3.44Å; D98-C100 PolarHBondContact O-N 2.65Å; D98-C100 PolarHBondContact O-SG 2.87Å; C100-Y102 WeakPolarHBondContact O-CD2 3.43Å; C100-S118 CarbonylContact O-C 3.54Å; C100-S118 WeakPolarHBondContact O-CA 3.48Å; C100-N119 WeakPolarHBondContact CA-OD1 3.46Å; C100-N119 WeakPolarHBondContact CB-OD1 3.36Å; C100-N119 PolarHBondContact O-N 3.3Å; C100-N119 PolarHBondContact O-OD1 2.82Å; C100-C120 HydrophobicContact CB-CB 3.86Å; C100-C120 WeakPolarHBondContact CB-SG 3.38Å; C100-C120 VanDerWaalsContact SG-CA 3.55Å; C100-C120 WeakPolarHBondContact SG-CB 3.42Å; C100-C120 CovalentContact SG-SG 2.01Å; C100-C120 PolarHBondContact SG-SG 2.76Å | ||
| 101 | H | 70 | Confident | 66 | Low | 84 Ų | 84 | 76.6 Ų | 76.6 | 39% | 0.389 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 115.8 | 174 | -63.2 | -100.2 | 0 | 0 | 0 | 109.7 | N72 | N72-H101 PolarHBondContact N-O 3.02Å |
| 102 | Y | 77.4 | Confident | 64.9 | Low | 23 Ų | 23 | 74.3 Ų | 74.3 | 9% | 0.09 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.6 | -175.3 | -60.9 | -100.9 | 0 | 0 | 0 | 112.4 | I54 L69 T70 L71 R99 C100 L117 N119 | I54-Y102 HydrophobicContact CD1-CD1 3.72Å; I54-Y102 HydrophobicContact CD1-CD2 4.08Å; I54-Y102 HydrophobicContact CD1-CE1 3.43Å; I54-Y102 VanDerWaalsContact CD1-CE1 3.43Å; I54-Y102 HydrophobicContact CD1-CE2 3.8Å; I54-Y102 HydrophobicContact CD1-CG 4.08Å; I54-Y102 HydrophobicContact CG1-CD1 3.91Å; I54-Y102 HydrophobicContact CG1-CE1 3.87Å; L69-Y102 HydrophobicContact CB-CD1 4.38Å; L69-Y102 HydrophobicContact CB-CG 4.44Å; T70-Y102 VanDerWaalsContact O-CA 3.3Å; T70-Y102 WeakPolarHBondContact O-CA 3.47Å; L71-Y102 HydrophobicContact CB-CD1 4.05Å; L71-Y102 HydrophobicContact CB-CE1 3.75Å; L71-Y102 HydrophobicContact CD1-CE1 4.07Å; L71-Y102 HydrophobicContact CD1-CE2 4.37Å; L71-Y102 HydrophobicContact CG-CE1 4.48Å; R99-Y102 PolarHBondContact O-OH 3.46Å; C100-Y102 WeakPolarHBondContact O-CD2 3.43Å; Y102-L117 PolarHBondContact N-O 3.41Å; Y102-L117 PolarHBondContact O-N 2.99Å; Y102-N119 WeakPolarHBondContact CE2-OD1 3.29Å |
| 103 | V | 76.9 | Confident | 64.6 | Low | 73 Ų | 73 | 68.1 Ų | 68.1 | 44% | 0.442 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.7 | 174.2 | -67.9 | 0 | 0 | 0 | 0 | 110 | T70 V115 | T70-V103 PolarHBondContact N-O 3.07Å; T70-V103 PolarHBondContact O-N 2.68Å; V103-V115 CarbonylContact C-O 3.25Å; V103-V115 WeakPolarHBondContact CA-O 3.5Å |
| 104 | G | 81.3 | Confident | 64.7 | Low | 24 Ų | 24 | 68.6 Ų | 68.6 | 25% | 0.247 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | -160.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N68 V115 | N68-G104 WeakPolarHBondContact O-CA 3.26Å; G104-V115 PolarHBondContact N-O 2.82Å; G104-V115 PolarHBondContact O-N 2.74Å |
| 105 | S | 81.6 | Confident | 65.5 | Low | 18 Ų | 18 | 67.2 Ų | 67.2 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 171 | -178.6 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | N68 H110 T113 | N68-S105 PolarHBondContact N-O 3.12Å; N68-S105 PolarHBondContact O-N 3.27Å; N68-S105 VanDerWaalsContact O-N 3.16Å; S105-H110 WeakPolarHBondContact OG-CA 3.02Å; S105-H110 PolarHBondContact OG-ND1 3.4Å; S105-H110 PolarHBondContact OG-O 3.08Å; S105-T113 WeakPolarHBondContact CB-O 3.44Å |
| 106 | L | 82.6 | Confident | 66.5 | Low | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 134.8 | 176 | -70 | 165.2 | 0 | 0 | 0 | 110.6 | F65 H66 L67 S108 Q109 H110 T113 T129 | F65-L106 HydrophobicContact CB-CD2 3.85Å; F65-L106 HydrophobicContact CD1-CD1 3.99Å; F65-L106 HydrophobicContact CD1-CD2 4.06Å; F65-L106 HydrophobicContact CG-CD2 4.45Å; H66-L106 CarbonylContact O-C 3.53Å; H66-L106 WeakPolarHBondContact O-CA 3.37Å; L67-L106 HydrophobicContact CD2-CD2 3.6Å; L67-L106 HydrophobicContact CD2-CG 4.42Å; L106-S108 PolarHBondContact O-N 2.87Å; L106-Q109 CarbonylContact O-C 3.49Å; L106-Q109 PolarHBondContact O-N 2.78Å; L106-H110 PolarHBondContact O-N 3.44Å; L106-H110 PolarHBondContact O-ND1 3.19Å; L106-T113 HydrophobicContact CB-CG2 4.31Å; L106-T113 WeakPolarHBondContact CB-OG1 3.25Å; L106-T113 HydrophobicContact CD1-CG2 3.82Å; L106-T113 HydrophobicContact CG-CG2 4.44Å; L106-T113 PolarHBondContact N-OG1 2.95Å; L106-T129 HydrophobicContact CD1-CG2 3.89Å |
| 107 | R | 74.3 | Confident | 68 | Low | 97 Ų | 97 | 61 Ų | 61 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.9 | -174.6 | -168.8 | -179 | 178.8 | -145.5 | 8.2 | 114.1 | E21 N22 H66 H110 | E21-R107 PolarHBondContact O-NE 3.44Å; E21-R107 PolarHBondContact O-NH1 2.92Å; E21-R107 PolarHBondContact O-NH2 2.99Å; N22-R107 PolarHBondContact O-NH1 2.83Å; H66-R107 HydrophobicContact CB-CB 4.43Å; H66-R107 VanDerWaalsContact CE1-CD 3.46Å; H66-R107 WeakPolarHBondContact CE1-CD 3.15Å; H66-R107 PolarHBondContact O-N 2.85Å; R107-H110 PolarHBondContact O-NE2 3.31Å |
| 108 | S | 61.5 | Low | 69.2 | Low | 102 Ų | 102 | 58.5 Ų | 58.5 | 71% | 0.713 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -15.4 | 177.4 | 47 | 0 | 0 | 0 | 0 | 114.7 | L106 | L106-S108 PolarHBondContact O-N 2.87Š|
| 109 | Q | 62.4 | Low | 70.4 | Confident | 74 Ų | 74 | 56 Ų | 56 | 35% | 0.346 | 30% | 0.297 | S | S | . | . | trans | -145.7 | 50.4 | -165.5 | -70.5 | 178.6 | -41.5 | 0 | 0 | 111.3 | L106 S111 T112 T113 | L106-Q109 CarbonylContact O-C 3.49Å; L106-Q109 PolarHBondContact O-N 2.78Å; Q109-S111 PolarHBondContact O-N 3.4Å; Q109-S111 VanDerWaalsContact O-N 3.11Å; Q109-T112 PolarHBondContact O-N 2.83Å; Q109-T113 HydrophobicContact CB-CG2 3.5Å; Q109-T113 VanDerWaalsContact CB-CG2 3.5Å; Q109-T113 HydrophobicContact CG-CG2 4.43Å; Q109-T113 PolarHBondContact O-N 3.31Å; Q109-T113 PolarHBondContact O-OG1 2.83Å | ||
| 110 | H | 59.3 | Low | 70.8 | Confident | 97 Ų | 97 | 51.5 Ų | 51.5 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.3 | -168.7 | -80.9 | -54 | 0 | 0 | 0 | 116.2 | S105 L106 R107 | S105-H110 WeakPolarHBondContact OG-CA 3.02Å; S105-H110 PolarHBondContact OG-ND1 3.4Å; S105-H110 PolarHBondContact OG-O 3.08Å; L106-H110 PolarHBondContact O-N 3.44Å; L106-H110 PolarHBondContact O-ND1 3.19Å; R107-H110 PolarHBondContact O-NE2 3.31Å |
| 111 | S | 52.1 | Low | 70.7 | Confident | 116 Ų | 116 | 59.6 Ų | 59.6 | 81% | 0.811 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -23.8 | -175.6 | 49.9 | 0 | 0 | 0 | 0 | 114.8 | Q109 | Q109-S111 PolarHBondContact O-N 3.4Å; Q109-S111 VanDerWaalsContact O-N 3.11Å |
| 112 | T | 55.6 | Low | 70.7 | Confident | 69 Ų | 69 | 55.6 Ų | 55.6 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -9.9 | -170.9 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | Q109 E130 | Q109-T112 PolarHBondContact O-N 2.83Å; T112-E130 WeakPolarHBondContact CB-OE1 3.1Å; T112-E130 HydrophobicContact CG2-CG 4.32Å; T112-E130 WeakPolarHBondContact CG2-OE1 3.35Å; T112-E130 PolarHBondContact OG1-OE1 2.85Å |
| 113 | T | 58.7 | Low | 70.6 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | trans | -111.9 | 140 | 178.4 | 65.2 | 0 | 0 | 0 | 0 | 109.8 | S105 L106 Q109 T128 T129 | S105-T113 WeakPolarHBondContact CB-O 3.44Å; L106-T113 HydrophobicContact CB-CG2 4.31Å; L106-T113 WeakPolarHBondContact CB-OG1 3.25Å; L106-T113 HydrophobicContact CD1-CG2 3.82Å; L106-T113 HydrophobicContact CG-CG2 4.44Å; L106-T113 PolarHBondContact N-OG1 2.95Å; Q109-T113 HydrophobicContact CB-CG2 3.5Å; Q109-T113 VanDerWaalsContact CB-CG2 3.5Å; Q109-T113 HydrophobicContact CG-CG2 4.43Å; Q109-T113 PolarHBondContact O-N 3.31Å; Q109-T113 PolarHBondContact O-OG1 2.83Å; T113-T128 VanDerWaalsContact CA-O 3.31Å; T113-T128 WeakPolarHBondContact CA-O 3.34Å; T113-T128 WeakPolarHBondContact CB-O 3.03Å; T113-T129 HydrophobicContact CG2-CG2 4.44Å | ||
| 114 | R | 74.3 | Confident | 70.6 | Confident | 176 Ų | 176 | 56 Ų | 56 | 66% | 0.664 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 136.4 | 175.4 | -68.2 | -164.4 | -176.4 | -156.9 | 4.6 | 109.9 | T128 | R114-T128 PolarHBondContact N-O 2.8Å; R114-T128 VanDerWaalsContact N-O 3.11Å; R114-T128 PolarHBondContact O-N 3.26Å |
| 115 | V | 77.1 | Confident | 70.1 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.024 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.5 | -179.4 | -177.7 | 0 | 0 | 0 | 0 | 107.8 | L67 L69 V103 G104 L117 V126 I127 | L67-V115 HydrophobicContact CD2-CB 4.45Å; L67-V115 HydrophobicContact CD2-CG1 4Å; L67-V115 HydrophobicContact CD2-CG2 3.64Å; L69-V115 HydrophobicContact CD2-CB 3.99Å; L69-V115 HydrophobicContact CD2-CG1 3.61Å; V103-V115 CarbonylContact C-O 3.25Å; V103-V115 WeakPolarHBondContact CA-O 3.5Å; G104-V115 PolarHBondContact N-O 2.82Å; G104-V115 PolarHBondContact O-N 2.74Å; V115-L117 HydrophobicContact CG1-CD1 3.49Å; V115-L117 VanDerWaalsContact CG1-CD1 3.49Å; V115-L117 HydrophobicContact CG1-CG 3.64Å; V115-V126 WeakPolarHBondContact CA-O 3.27Å; V115-I127 HydrophobicContact CG1-CG1 4.18Å; V115-I127 HydrophobicContact CG2-CG1 4.49Å; V115-I127 HydrophobicContact CG2-CG2 4.35Å |
| 116 | A | 76.1 | Confident | 69.8 | Low | 45 Ų | 45 | 56.9 Ų | 56.9 | 37% | 0.372 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 112.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | G125 V126 | A116-G125 WeakPolarHBondContact O-CA 3.2Å; A116-V126 HydrophobicContact CB-CG1 4.07Å; A116-V126 PolarHBondContact N-O 3.03Å; A116-V126 PolarHBondContact O-N 2.92Å |
| 117 | L | 75.4 | Confident | 69.7 | Low | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 122.5 | -172.6 | -68.9 | 173.8 | 0 | 0 | 0 | 111.2 | L67 L69 Y102 V115 L123 H124 I136 | L67-L117 HydrophobicContact CD1-CD1 3.63Å; L69-L117 HydrophobicContact CD1-CB 4.43Å; L69-L117 HydrophobicContact CD1-CD1 4.2Å; Y102-L117 PolarHBondContact N-O 3.41Å; Y102-L117 PolarHBondContact O-N 2.99Å; V115-L117 HydrophobicContact CG1-CD1 3.49Å; V115-L117 VanDerWaalsContact CG1-CD1 3.49Å; V115-L117 HydrophobicContact CG1-CG 3.64Å; L117-L123 HydrophobicContact CD1-CD1 4.45Å; L117-H124 WeakPolarHBondContact CA-O 3.36Å; L117-I136 HydrophobicContact CD2-CG2 3.44Å; L117-I136 VanDerWaalsContact CD2-CG2 3.44Å |
| 118 | S | 79.3 | Confident | 69.6 | Low | 25 Ų | 25 | 54.2 Ų | 54.2 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 138 | 155.3 | 179.4 | 0 | 0 | 0 | 0 | 109 | C100 C120 G122 L123 H124 | C100-S118 CarbonylContact O-C 3.54Å; C100-S118 WeakPolarHBondContact O-CA 3.48Å; S118-C120 WeakPolarHBondContact OG-CB 3.43Å; S118-C120 PolarHBondContact OG-N 3.22Å; S118-C120 PolarHBondContact OG-SG 3.43Å; S118-G122 VanDerWaalsContact O-O 3.12Å; S118-L123 CarbonylContact O-C 3.59Å; S118-L123 WeakPolarHBondContact O-CA 3.43Å; S118-H124 PolarHBondContact N-O 3.2Å; S118-H124 PolarHBondContact O-N 3.46Å |
| 119 | N | 76.4 | Confident | 70.1 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.032 | 27% | 0.269 | C | S | . | . | trans | -114.9 | 12.1 | 166.1 | 90.4 | -18 | 0 | 0 | 0 | 112.6 | V30 K31 H32 Y56 C100 Y102 K121 G122 L123 | V30-N119 WeakPolarHBondContact O-CB 3.28Å; K31-N119 WeakPolarHBondContact CA-O 3.35Å; H32-N119 PolarHBondContact N-O 2.61Å; Y56-N119 PolarHBondContact OH-ND2 3.04Å; C100-N119 WeakPolarHBondContact CA-OD1 3.46Å; C100-N119 WeakPolarHBondContact CB-OD1 3.36Å; C100-N119 PolarHBondContact O-N 3.3Å; C100-N119 PolarHBondContact O-OD1 2.82Å; Y102-N119 WeakPolarHBondContact CE2-OD1 3.29Å; N119-K121 VanDerWaalsContact C-N 3.29Å; N119-K121 PolarHBondContact O-N 2.76Å; N119-G122 CarbonylContact C-O 3.55Å; N119-G122 WeakPolarHBondContact CA-O 3.31Å; N119-L123 HydrophobicContact CB-CD2 3.75Å | ||
| 120 | C | 68.6 | Low | 70.1 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -33.6 | -172.6 | -49 | 0 | 0 | 0 | 0 | 113.1 | C100 S118 | C100-C120 HydrophobicContact CB-CB 3.86Å; C100-C120 WeakPolarHBondContact CB-SG 3.38Å; C100-C120 VanDerWaalsContact SG-CA 3.55Å; C100-C120 WeakPolarHBondContact SG-CB 3.42Å; C100-C120 CovalentContact SG-SG 2.01Å; C100-C120 PolarHBondContact SG-SG 2.76Å; S118-C120 WeakPolarHBondContact OG-CB 3.43Å; S118-C120 PolarHBondContact OG-N 3.22Å; S118-C120 PolarHBondContact OG-SG 3.43Å |
| 121 | K | 64.8 | Low | 70 | Confident | 172 Ų | 172 | 55 Ų | 55 | 75% | 0.748 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135 | 20.1 | -173.8 | -65.9 | 173.5 | -175.8 | 159.2 | 0 | 112.6 | N119 | N119-K121 VanDerWaalsContact C-N 3.29Å; N119-K121 PolarHBondContact O-N 2.76Å |
| 122 | G | 68.9 | Low | 70.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 115.1 | 170.1 | -160.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | S118 N119 H124 | S118-G122 VanDerWaalsContact O-O 3.12Å; N119-G122 CarbonylContact C-O 3.55Å; N119-G122 WeakPolarHBondContact CA-O 3.31Å; G122-H124 PolarHBondContact O-N 2.77Å |
| 123 | L | 76.1 | Confident | 71.6 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -72.4 | 120.2 | 175.3 | -65.2 | -168.3 | 0 | 0 | 0 | 109.9 | P16 V30 Y56 L58 L117 S118 N119 P138 H158 | P16-L123 HydrophobicContact CB-CD1 3.52Å; P16-L123 HydrophobicContact CB-CG 4.42Å; P16-L123 HydrophobicContact CG-CD1 3.87Å; P16-L123 HydrophobicContact CG-CG 4.49Å; V30-L123 HydrophobicContact CB-CD2 4.27Å; V30-L123 HydrophobicContact CB-CG 4.03Å; V30-L123 HydrophobicContact CG1-CG 4.29Å; V30-L123 HydrophobicContact CG2-CG 4.48Å; Y56-L123 HydrophobicContact CD1-CD1 4.35Å; Y56-L123 HydrophobicContact CD2-CD1 4.35Å; Y56-L123 HydrophobicContact CD2-CD2 4.19Å; Y56-L123 HydrophobicContact CE1-CD2 4.48Å; Y56-L123 HydrophobicContact CE2-CD2 3.87Å; Y56-L123 HydrophobicContact CG-CD1 4.12Å; L58-L123 HydrophobicContact CD2-CD1 4.36Å; L117-L123 HydrophobicContact CD1-CD1 4.45Å; S118-L123 CarbonylContact O-C 3.59Å; S118-L123 WeakPolarHBondContact O-CA 3.43Å; N119-L123 HydrophobicContact CB-CD2 3.75Å; L123-P138 WeakPolarHBondContact O-CD 3.47Å; L123-H158 PolarHBondContact N-NE2 3.47Å; L123-H158 PolarHBondContact O-CD2 2.77Å |
| 124 | H | 76.1 | Confident | 72.4 | Confident | 104 Ų | 104 | 51.5 Ų | 51.5 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 129.3 | 178.7 | -175.5 | 44.7 | 0 | 0 | 0 | 111.1 | L117 S118 G122 I136 E137 | L117-H124 WeakPolarHBondContact CA-O 3.36Å; S118-H124 PolarHBondContact N-O 3.2Å; S118-H124 PolarHBondContact O-N 3.46Å; G122-H124 PolarHBondContact O-N 2.77Å; H124-I136 WeakPolarHBondContact CA-O 3.48Å; H124-I136 PolarHBondContact ND1-O 3.23Å; H124-E137 VanDerWaalsContact ND1-CB 3.32Å; H124-E137 WeakPolarHBondContact ND1-CB 3.38Å |
| 125 | G | 71.4 | Confident | 72.5 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 24% | 0.237 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.6 | -143.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A116 I136 | A116-G125 WeakPolarHBondContact O-CA 3.2Å; G125-I136 PolarHBondContact N-O 2.96Å; G125-I136 PolarHBondContact O-N 3.28Å |
| 126 | V | 74.3 | Confident | 72.6 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 22% | 0.218 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.7 | -165.1 | 63.7 | 0 | 0 | 0 | 0 | 112.9 | V115 A116 Q133 | V115-V126 WeakPolarHBondContact CA-O 3.27Å; A116-V126 HydrophobicContact CB-CG1 4.07Å; A116-V126 PolarHBondContact N-O 3.03Å; A116-V126 PolarHBondContact O-N 2.92Å; V126-Q133 HydrophobicContact CG2-CG 3.58Å |
| 127 | I | 80.9 | Confident | 72.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 103.2 | 170.7 | -60.5 | 166.7 | 0 | 0 | 0 | 106.9 | L58 F65 L67 V115 Y134 I136 I160 | L58-I127 HydrophobicContact CD1-CD1 4.13Å; L58-I127 HydrophobicContact CD2-CD1 4.04Å; F65-I127 HydrophobicContact CD1-CG2 3.63Å; F65-I127 HydrophobicContact CE1-CG2 3.88Å; L67-I127 HydrophobicContact CD1-CD1 4.25Å; L67-I127 HydrophobicContact CD2-CD1 4Å; L67-I127 HydrophobicContact CD2-CG1 4.12Å; L67-I127 HydrophobicContact CD2-CG2 4.38Å; V115-I127 HydrophobicContact CG1-CG1 4.18Å; V115-I127 HydrophobicContact CG2-CG1 4.49Å; V115-I127 HydrophobicContact CG2-CG2 4.35Å; I127-Y134 PolarHBondContact N-O 3.5Å; I127-Y134 PolarHBondContact O-N 3.38Å; I127-I136 HydrophobicContact CD1-CG2 4.32Å; I127-I160 HydrophobicContact CD1-CD1 4.48Å |
| 128 | T | 73.3 | Confident | 72.6 | Confident | 50 Ų | 50 | 45.6 Ų | 45.6 | 31% | 0.307 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.3 | 178.6 | -53.8 | 0 | 0 | 0 | 0 | 110 | T113 R114 | T113-T128 VanDerWaalsContact CA-O 3.31Å; T113-T128 WeakPolarHBondContact CA-O 3.34Å; T113-T128 WeakPolarHBondContact CB-O 3.03Å; R114-T128 PolarHBondContact N-O 2.8Å; R114-T128 VanDerWaalsContact N-O 3.11Å; R114-T128 PolarHBondContact O-N 3.26Å |
| 129 | T | 70.8 | Confident | 72.2 | Confident | 17 Ų | 17 | 46.5 Ų | 46.5 | 10% | 0.104 | 24% | 0.237 | C | C | . | . | trans | -123.3 | 171.1 | 176.3 | 68.4 | 0 | 0 | 0 | 0 | 111.1 | F65 L106 T113 E131 D132 Y134 | F65-T129 HydrophobicContact CE1-CG2 4.04Å; L106-T129 HydrophobicContact CD1-CG2 3.89Å; T113-T129 HydrophobicContact CG2-CG2 4.44Å; T129-E131 PolarHBondContact O-N 3.45Å; T129-D132 PolarHBondContact N-O 3.01Å; T129-D132 PolarHBondContact OG1-N 2.95Å; T129-D132 PolarHBondContact OG1-O 2.83Å; T129-Y134 HydrophobicContact CG2-CD2 4.43Å; T129-Y134 HydrophobicContact CG2-CE2 4.12Å | ||
| 130 | E | 62.8 | Low | 71.4 | Confident | 128 Ų | 128 | 54.1 Ų | 54.1 | 60% | 0.598 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -58.9 | -26.1 | 179 | -67.1 | 172.2 | -147.6 | 0 | 0 | 113.7 | T112 | T112-E130 WeakPolarHBondContact CB-OE1 3.1Å; T112-E130 HydrophobicContact CG2-CG 4.32Å; T112-E130 WeakPolarHBondContact CG2-OE1 3.35Å; T112-E130 PolarHBondContact OG1-OE1 2.85Å |
| 131 | E | 57.2 | Low | 70.5 | Confident | 145 Ų | 145 | 59.7 Ų | 59.7 | 68% | 0.678 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -104.9 | -34.9 | -174.8 | -63.7 | 171.9 | -178 | 0 | 0 | 113.4 | K63 T129 | K63-E131 WeakPolarHBondContact CE-OE2 3.48Å; K63-E131 IonicContact NZ-OE2 3.17Å; K63-E131 PolarHBondContact NZ-OE2 2.8Å; T129-E131 PolarHBondContact O-N 3.45Å |
| 132 | D | 66.5 | Low | 69.4 | Low | 35 Ų | 35 | 56.1 Ų | 56.1 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | trans | -150.2 | 152.2 | -167.7 | -75.5 | -60.7 | 0 | 0 | 0 | 112.2 | K63 T129 Y134 K162 | K63-D132 IonicContact NZ-OD2 2.7Å; T129-D132 PolarHBondContact N-O 3.01Å; T129-D132 PolarHBondContact OG1-N 2.95Å; T129-D132 PolarHBondContact OG1-O 2.83Å; D132-Y134 HydrophobicContact CB-CD2 4.21Å; D132-Y134 HydrophobicContact CB-CE1 4.08Å; D132-Y134 HydrophobicContact CB-CE2 3.48Å; D132-Y134 VanDerWaalsContact CB-CE2 3.48Å; D132-Y134 WeakPolarHBondContact CB-OH 3.47Å; D132-Y134 PolarHBondContact OD2-OH 3.04Å; D132-K162 VanDerWaalsContact CG-CE 3.41Å; D132-K162 WeakPolarHBondContact OD1-CD 3.25Å; D132-K162 WeakPolarHBondContact OD1-CE 3.44Å; D132-K162 IonicContact OD1-NZ 3.65Å; D132-K162 PolarHBondContact OD1-NZ 3.16Å; D132-K162 WeakPolarHBondContact OD2-CE 3.32Å; D132-K162 IonicContact OD2-NZ 3.53Å; D132-K162 PolarHBondContact OD2-NZ 3.13Å | ||
| 133 | Q | 74.1 | Confident | 67.8 | Low | 77 Ų | 77 | 61.1 Ų | 61.1 | 36% | 0.36 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.9 | 165.6 | -178.1 | -176.6 | -1.6 | 0 | 0 | 109.9 | V126 K162 T163 | V126-Q133 HydrophobicContact CG2-CG 3.58Å; Q133-K162 WeakPolarHBondContact O-CA 3.29Å; Q133-T163 HydrophobicContact CB-CG2 4.29Å; Q133-T163 HydrophobicContact CG-CG2 3.98Å; Q133-T163 PolarHBondContact O-N 2.96Å |
| 134 | Y | 76.8 | Confident | 66 | Low | 1 Ų | 1 | 67.7 Ų | 67.7 | 0% | 0.004 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.1 | 178.3 | -52.5 | -88.7 | 0 | 0 | 0 | 109.7 | Y61 K63 F65 I127 T129 D132 Y161 K162 | Y61-Y134 AromaticContact CD2-CD1 3.81Å; Y61-Y134 HydrophobicContact CD2-CD1 3.81Å; Y61-Y134 AromaticContact CD2-CE1 3.6Å; Y61-Y134 HydrophobicContact CD2-CE1 3.6Å; Y61-Y134 HydrophobicContact CE2-CD1 4.06Å; Y61-Y134 HydrophobicContact CE2-CE1 4.21Å; Y61-Y134 HydrophobicContact CG-CE1 4.07Å; K63-Y134 PolarHBondContact NZ-OH 3.06Å; K63-Y134 VanDerWaalsContact NZ-OH 3.08Å; F65-Y134 AromaticContact CE1-CD2 3.81Å; F65-Y134 HydrophobicContact CE1-CD2 3.81Å; F65-Y134 AromaticContact CE1-CE2 3.79Å; F65-Y134 HydrophobicContact CE1-CE2 3.79Å; F65-Y134 AromaticContact CZ-CD2 3.76Å; F65-Y134 HydrophobicContact CZ-CD2 3.76Å; F65-Y134 HydrophobicContact CZ-CE1 4.42Å; F65-Y134 AromaticContact CZ-CE2 3.6Å; F65-Y134 HydrophobicContact CZ-CE2 3.6Å; F65-Y134 HydrophobicContact CZ-CG 4.25Å; F65-Y134 AromaticContact CZ-CZ 3.97Å; I127-Y134 PolarHBondContact N-O 3.5Å; I127-Y134 PolarHBondContact O-N 3.38Å; T129-Y134 HydrophobicContact CG2-CD2 4.43Å; T129-Y134 HydrophobicContact CG2-CE2 4.12Å; D132-Y134 HydrophobicContact CB-CD2 4.21Å; D132-Y134 HydrophobicContact CB-CE1 4.08Å; D132-Y134 HydrophobicContact CB-CE2 3.48Å; D132-Y134 VanDerWaalsContact CB-CE2 3.48Å; D132-Y134 WeakPolarHBondContact CB-OH 3.47Å; D132-Y134 PolarHBondContact OD2-OH 3.04Å; Y134-Y161 CarbonylContact C-O 3.46Å; Y134-Y161 WeakPolarHBondContact CA-O 3.24Å; Y134-K162 HydrophobicContact CD1-CG 4.01Å; Y134-K162 HydrophobicContact CE1-CG 3.88Å |
| 135 | L | 76.1 | Confident | 64.2 | Low | 52 Ų | 52 | 66.6 Ų | 66.6 | 27% | 0.272 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 137.3 | 165.8 | -83.6 | 71.4 | 0 | 0 | 0 | 108.3 | I160 Y161 T163 | L135-I160 VanDerWaalsContact O-CA 3.24Å; L135-I160 WeakPolarHBondContact O-CA 3.14Å; L135-Y161 HydrophobicContact CB-CD2 4.48Å; L135-Y161 HydrophobicContact CB-CE1 4.22Å; L135-Y161 HydrophobicContact CB-CE2 4.03Å; L135-Y161 HydrophobicContact CD2-CE2 4.08Å; L135-Y161 PolarHBondContact N-O 3.33Å; L135-Y161 PolarHBondContact O-N 2.94Å; L135-T163 HydrophobicContact CD1-CG2 3.35Å |
| 136 | I | 78.9 | Confident | 62.3 | Low | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.2 | 170.6 | -173.3 | 170.7 | 0 | 0 | 0 | 110.1 | T14 P16 L58 L117 H124 G125 I127 H158 V159 I160 | T14-I136 HydrophobicContact CG2-CD1 3.84Å; P16-I136 HydrophobicContact CG-CD1 3.94Å; L58-I136 HydrophobicContact CD1-CD1 4.45Å; L58-I136 HydrophobicContact CD2-CD1 3.59Å; L117-I136 HydrophobicContact CD2-CG2 3.44Å; L117-I136 VanDerWaalsContact CD2-CG2 3.44Å; H124-I136 WeakPolarHBondContact CA-O 3.48Å; H124-I136 PolarHBondContact ND1-O 3.23Å; G125-I136 PolarHBondContact N-O 2.96Å; G125-I136 PolarHBondContact O-N 3.28Å; I127-I136 HydrophobicContact CD1-CG2 4.32Å; I136-H158 HydrophobicContact CD1-CB 3.92Å; I136-H158 HydrophobicContact CG1-CB 3.82Å; I136-V159 WeakPolarHBondContact CA-O 3.35Å; I136-I160 HydrophobicContact CB-CB 4.39Å; I136-I160 HydrophobicContact CB-CD1 4.39Å; I136-I160 HydrophobicContact CB-CG1 4.42Å; I136-I160 HydrophobicContact CG1-CB 4.33Å |
| 137 | E | 74.4 | Confident | 60.2 | Low | 29 Ų | 29 | 73.3 Ų | 73.3 | 14% | 0.136 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 154.7 | 176.8 | 56 | 137.9 | -149.4 | 0 | 0 | 113.4 | K1 H124 L139 H158 V159 Y161 | K1-E137 WeakPolarHBondContact CE-OE1 3.47Å; K1-E137 WeakPolarHBondContact CE-OE2 3.22Å; K1-E137 IonicContact NZ-OE1 2.81Å; K1-E137 PolarHBondContact NZ-OE1 2.99Å; K1-E137 IonicContact NZ-OE2 2.68Å; K1-E137 PolarHBondContact NZ-OE2 2.8Å; H124-E137 VanDerWaalsContact ND1-CB 3.32Å; H124-E137 WeakPolarHBondContact ND1-CB 3.38Å; E137-L139 PolarHBondContact O-N 2.87Å; E137-H158 CarbonylContact O-C 3.55Å; E137-H158 WeakPolarHBondContact O-CA 3.27Å; E137-H158 WeakPolarHBondContact O-CB 3.28Å; E137-V159 HydrophobicContact CG-CB 4.43Å; E137-V159 PolarHBondContact N-O 3.09Å; E137-V159 PolarHBondContact O-N 3.16Å; E137-Y161 HydrophobicContact CG-CE1 4.32Å |
| 138 | P | 76.7 | Confident | 58.4 | Low | 22 Ų | 22 | 78.6 Ų | 78.6 | 14% | 0.143 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 132.8 | -177.3 | -17 | 31.5 | 0 | 0 | 0 | 112.5 | K1 L123 | K1-P138 PolarHBondContact NZ-O 2.78Å; L123-P138 WeakPolarHBondContact O-CD 3.47Å |
| 139 | L | 71.9 | Confident | 56.6 | Low | 43 Ų | 43 | 84 Ų | 84 | 23% | 0.225 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 137.8 | 165.3 | -168 | 64.7 | 0 | 0 | 0 | 108.1 | L5 L13 E137 Q157 V159 | L5-L139 HydrophobicContact CD1-CD1 4.34Å; L13-L139 HydrophobicContact CD2-CD2 4.27Å; E137-L139 PolarHBondContact O-N 2.87Å; L139-Q157 HydrophobicContact CB-CB 4.28Å; L139-Q157 WeakPolarHBondContact CB-O 3.34Å; L139-Q157 HydrophobicContact CD2-CB 4.29Å; L139-Q157 PolarHBondContact N-O 3.17Å; L139-V159 HydrophobicContact CB-CG2 4.28Å; L139-V159 HydrophobicContact CD1-CG2 3.78Å |
| 140 | K | 59.5 | Low | 54.8 | Low | 166 Ų | 166 | 93.3 Ų | 93.3 | 72% | 0.722 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -94.9 | 123.1 | 174.4 | -72.5 | -175.3 | 179.1 | 178.6 | 0 | 108.4 | T142 | K140-T142 PolarHBondContact O-N 2.79Š|
| 141 | N | 49.8 | Very low | 53.8 | Low | 152 Ų | 152 | 95.4 Ų | 95.4 | 81% | 0.813 | 54% | 0.537 | S | S | * | . | trans | -66.9 | 104.9 | 165.5 | -76 | 26.8 | 0 | 0 | 0 | 109.3 | ||||
| 142 | T | 40.1 | Very low | 53.1 | Low | 96 Ų | 96 | 92.9 Ų | 92.9 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | trans | -72.3 | 157.9 | 145.3 | 34.3 | 0 | 0 | 0 | 0 | 109.2 | K140 | K140-T142 PolarHBondContact O-N 2.79Š| ||
| 143 | S | 35.9 | Very low | 52.3 | Low | 106 Ų | 106 | 99 Ų | 99 | 74% | 0.741 | 56% | 0.561 | S | S | * | * | trans | 63.8 | 101.1 | 174 | -54.6 | 0 | 0 | 0 | 0 | 117.4 | A145 | S143-A145 VanDerWaalsContact C-N 3.3Å; S143-A145 PolarHBondContact O-N 3.24Å | ||
| 144 | S | 38.7 | Very low | 51.3 | Low | 138 Ų | 138 | 97.7 Ų | 97.7 | 97% | 0.965 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -90.6 | 57.6 | 162.1 | 43.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 145 | A | 37.3 | Very low | 50.5 | Low | 81 Ų | 81 | 99.7 Ų | 99.7 | 67% | 0.669 | 59% | 0.585 | S | S | * | * | trans | -155.7 | 148.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S143 | S143-A145 VanDerWaalsContact C-N 3.3Å; S143-A145 PolarHBondContact O-N 3.24Å | ||
| 146 | A | 32.3 | Very low | 50.3 | Low | 91 Ų | 91 | 99 Ų | 99 | 75% | 0.752 | 58% | 0.58 | S | S | * | * | trans | 58.8 | 101 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 147 | S | 30.4 | Very low | 50.1 | Low | 110 Ų | 110 | 103.2 Ų | 103.2 | 77% | 0.769 | 60% | 0.6 | S | S | * | * | 64.1 | 125.7 | 61.2 | 82.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 148 | S | 41.9 | Very low | 50.5 | Low | 110 Ų | 110 | 101.9 Ų | 101.9 | 77% | 0.769 | 59% | 0.594 | S | S | * | * | cis | -168.3 | 90.8 | -6.5 | 44.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 149 | E | 36.6 | Very low | 50.8 | Low | 163 Ų | 163 | 100.8 Ų | 100.8 | 76% | 0.762 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -162.8 | 157.7 | 168.1 | -129.5 | 173.9 | -132.4 | 0 | 0 | 109.3 | ||
| 150 | W | 33.1 | Very low | 51.4 | Low | 213 Ų | 213 | 98.8 Ų | 98.8 | 81% | 0.807 | 58% | 0.576 | S | S | * | * | trans | 62.5 | 49.7 | 176.3 | -44.7 | 94 | 0 | 0 | 0 | 118 | L152 | W150-L152 PolarHBondContact O-N 3.29Š| ||
| 151 | N | 41.1 | Very low | 52.1 | Low | 172 Ų | 172 | 91.7 Ų | 91.7 | 92% | 0.92 | 55% | 0.545 | S | S | * | . | trans | -68.7 | 108.3 | 162.5 | -91 | -16.7 | 0 | 0 | 0 | 111 | ||||
| 152 | L | 43.7 | Very low | 53.1 | Low | 92 Ų | 92 | 87.1 Ų | 87.1 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | trans | -124.8 | 123.3 | 161.2 | -83.3 | 86 | 0 | 0 | 0 | 109.7 | Y28 W150 G154 | Y28-L152 HydrophobicContact CD2-CD2 4.37Å; Y28-L152 HydrophobicContact CE1-CD2 4.46Å; Y28-L152 HydrophobicContact CE2-CD2 3.59Å; W150-L152 PolarHBondContact O-N 3.29Å; L152-G154 PolarHBondContact O-N 3.22Å | ||
| 153 | D | 49 | Very low | 54 | Low | 164 Ų | 164 | 85.4 Ų | 85.4 | 88% | 0.877 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 123.2 | -175.1 | -85.9 | -50.6 | 0 | 0 | 0 | 113.1 | ||
| 154 | G | 53.8 | Low | 54.8 | Low | 49 Ų | 49 | 84.7 Ų | 84.7 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -2.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | L152 Q156 | L152-G154 PolarHBondContact O-N 3.22Å; G154-Q156 PolarHBondContact O-N 3.46Å |
| 155 | A | 59.4 | Low | 55 | Low | 44 Ų | 44 | 78.4 Ų | 78.4 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | trans | -71.2 | 107.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | V15 Y28 | V15-A155 HydrophobicContact CG1-CB 4.15Å; Y28-A155 HydrophobicContact CD1-CB 3.92Å; Y28-A155 HydrophobicContact CG-CB 4.04Å | ||
| 156 | Q | 71.9 | Confident | 55.2 | Low | 36 Ų | 36 | 79.2 Ų | 79.2 | 17% | 0.168 | 45% | 0.451 | C | S | . | . | trans | -96 | 122.6 | 177 | -174.9 | 174.4 | 17.8 | 0 | 0 | 111.2 | V30 G154 H158 | V30-Q156 HydrophobicContact CG2-CB 4.46Å; G154-Q156 PolarHBondContact O-N 3.46Å; Q156-H158 PolarHBondContact O-CE1 3.06Å; Q156-H158 VanDerWaalsContact O-CE1 3.25Å; Q156-H158 PolarHBondContact O-ND1 3.22Å | ||
| 157 | Q | 75.1 | Confident | 55.2 | Low | 91 Ų | 91 | 79.2 Ų | 79.2 | 43% | 0.425 | 44% | 0.443 | S | S | . | . | trans | -71.7 | 144.3 | 171.5 | -71.5 | -176.7 | -3.6 | 0 | 0 | 111.8 | V15 L139 | V15-Q157 HydrophobicContact CG2-CG 3.94Å; L139-Q157 HydrophobicContact CB-CB 4.28Å; L139-Q157 WeakPolarHBondContact CB-O 3.34Å; L139-Q157 HydrophobicContact CD2-CB 4.29Å; L139-Q157 PolarHBondContact N-O 3.17Å | ||
| 158 | H | 83.1 | Confident | 55.2 | Low | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 141.4 | 178.6 | -65.3 | 71.9 | 0 | 0 | 0 | 109.5 | L13 T14 P16 L123 I136 E137 Q156 | L13-H158 WeakPolarHBondContact CA-O 3.38Å; T14-H158 HydrophobicContact CG2-CB 4.17Å; T14-H158 PolarHBondContact N-O 2.89Å; T14-H158 PolarHBondContact O-N 3.02Å; P16-H158 WeakPolarHBondContact CD-ND1 3.5Å; P16-H158 HydrophobicContact CG-CB 4.36Å; L123-H158 PolarHBondContact N-NE2 3.47Å; L123-H158 PolarHBondContact O-CD2 2.77Å; I136-H158 HydrophobicContact CD1-CB 3.92Å; I136-H158 HydrophobicContact CG1-CB 3.82Å; E137-H158 CarbonylContact O-C 3.55Å; E137-H158 WeakPolarHBondContact O-CA 3.27Å; E137-H158 WeakPolarHBondContact O-CB 3.28Å; Q156-H158 PolarHBondContact O-CE1 3.06Å; Q156-H158 VanDerWaalsContact O-CE1 3.25Å; Q156-H158 PolarHBondContact O-ND1 3.22Å |
| 159 | V | 81.6 | Confident | 54.8 | Low | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 138.6 | 167.9 | -166.6 | 0 | 0 | 0 | 0 | 107.6 | L5 Y11 L13 I136 E137 L139 Y161 | L5-V159 HydrophobicContact CD1-CG2 4.36Å; L5-V159 HydrophobicContact CD2-CG1 3.84Å; L5-V159 HydrophobicContact CD2-CG2 4.22Å; Y11-V159 HydrophobicContact CD2-CG1 3.78Å; Y11-V159 HydrophobicContact CG-CG1 4.19Å; L13-V159 HydrophobicContact CD2-CB 4.41Å; L13-V159 HydrophobicContact CD2-CG1 4.49Å; L13-V159 HydrophobicContact CD2-CG2 3.93Å; I136-V159 WeakPolarHBondContact CA-O 3.35Å; E137-V159 HydrophobicContact CG-CB 4.43Å; E137-V159 PolarHBondContact N-O 3.09Å; E137-V159 PolarHBondContact O-N 3.16Å; L139-V159 HydrophobicContact CB-CG2 4.28Å; L139-V159 HydrophobicContact CD1-CG2 3.78Å; V159-Y161 HydrophobicContact CG1-CD1 4.09Å |
| 160 | I | 84 | Confident | 54.6 | Low | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 126.4 | 174 | -180 | 163.8 | 0 | 0 | 0 | 109.8 | Q12 T14 L58 A60 I127 L135 I136 | Q12-I160 HydrophobicContact CB-CG2 4.37Å; Q12-I160 PolarHBondContact N-O 2.98Å; Q12-I160 PolarHBondContact O-N 2.98Å; T14-I160 HydrophobicContact CG2-CB 4.26Å; T14-I160 HydrophobicContact CG2-CG2 3.68Å; L58-I160 HydrophobicContact CD1-CD1 3.79Å; A60-I160 HydrophobicContact CB-CB 4.49Å; A60-I160 HydrophobicContact CB-CD1 3.87Å; A60-I160 HydrophobicContact CB-CG1 4.2Å; A60-I160 HydrophobicContact CB-CG2 3.52Å; I127-I160 HydrophobicContact CD1-CD1 4.48Å; L135-I160 VanDerWaalsContact O-CA 3.24Å; L135-I160 WeakPolarHBondContact O-CA 3.14Å; I136-I160 HydrophobicContact CB-CB 4.39Å; I136-I160 HydrophobicContact CB-CD1 4.39Å; I136-I160 HydrophobicContact CB-CG1 4.42Å; I136-I160 HydrophobicContact CG1-CB 4.33Å |
| 161 | Y | 74.5 | Confident | 54.4 | Low | 18 Ų | 18 | 65.4 Ų | 65.4 | 7% | 0.071 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 156.3 | -174.4 | 59.2 | -87.2 | 0 | 0 | 0 | 112.5 | F4 L8 Y61 Y134 L135 E137 V159 | F4-Y161 HydrophobicContact CE1-CE1 4.3Å; L8-Y161 HydrophobicContact CD1-CD1 3.79Å; L8-Y161 HydrophobicContact CD1-CD2 4.05Å; L8-Y161 HydrophobicContact CD1-CE1 4.11Å; L8-Y161 HydrophobicContact CD1-CE2 4.36Å; L8-Y161 HydrophobicContact CD1-CG 3.76Å; L8-Y161 HydrophobicContact CD2-CD2 3.77Å; L8-Y161 HydrophobicContact CD2-CE2 3.94Å; L8-Y161 HydrophobicContact CD2-CG 4.31Å; Y61-Y161 WeakPolarHBondContact OH-CA 3.33Å; Y134-Y161 CarbonylContact C-O 3.46Å; Y134-Y161 WeakPolarHBondContact CA-O 3.24Å; L135-Y161 HydrophobicContact CB-CD2 4.48Å; L135-Y161 HydrophobicContact CB-CE1 4.22Å; L135-Y161 HydrophobicContact CB-CE2 4.03Å; L135-Y161 HydrophobicContact CD2-CE2 4.08Å; L135-Y161 PolarHBondContact N-O 3.33Å; L135-Y161 PolarHBondContact O-N 2.94Å; E137-Y161 HydrophobicContact CG-CE1 4.32Å; V159-Y161 HydrophobicContact CG1-CD1 4.09Å |
| 162 | K | 72.1 | Confident | 53.6 | Low | 55 Ų | 55 | 62 Ų | 62 | 24% | 0.239 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 145.1 | 174.2 | -64.4 | -174.2 | 173 | -155.2 | 0 | 110.6 | Y61 D132 Q133 Y134 S164 | Y61-K162 HydrophobicContact CE2-CG 4.45Å; D132-K162 VanDerWaalsContact CG-CE 3.41Å; D132-K162 WeakPolarHBondContact OD1-CD 3.25Å; D132-K162 WeakPolarHBondContact OD1-CE 3.44Å; D132-K162 IonicContact OD1-NZ 3.65Å; D132-K162 PolarHBondContact OD1-NZ 3.16Å; D132-K162 WeakPolarHBondContact OD2-CE 3.32Å; D132-K162 IonicContact OD2-NZ 3.53Å; D132-K162 PolarHBondContact OD2-NZ 3.13Å; Q133-K162 WeakPolarHBondContact O-CA 3.29Å; Y134-K162 HydrophobicContact CD1-CG 4.01Å; Y134-K162 HydrophobicContact CE1-CG 3.88Å; K162-S164 PolarHBondContact O-N 3.24Å |
| 163 | T | 59.2 | Low | 52.9 | Low | 60 Ų | 60 | 59.3 Ų | 59.3 | 37% | 0.368 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -57.9 | -31.2 | 171.8 | 41.6 | 0 | 0 | 0 | 0 | 113.2 | Q133 L135 A165 | Q133-T163 HydrophobicContact CB-CG2 4.29Å; Q133-T163 HydrophobicContact CG-CG2 3.98Å; Q133-T163 PolarHBondContact O-N 2.96Å; L135-T163 HydrophobicContact CD1-CG2 3.35Å; T163-A165 PolarHBondContact O-N 2.88Å |
| 164 | S | 52.4 | Low | 51.7 | Low | 92 Ų | 92 | 60.1 Ų | 60.1 | 64% | 0.643 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -72.5 | 23 | -175.1 | 70.5 | 0 | 0 | 0 | 0 | 116 | K162 | K162-S164 PolarHBondContact O-N 3.24Š|
| 165 | A | 42.5 | Very low | 50.5 | Low | 5 Ų | 5 | 65.7 Ų | 65.7 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -119.7 | 19.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q9 T163 | Q9-A165 HydrophobicContact CB-CB 4.35Å; Q9-A165 PolarHBondContact N-O 3.34Å; Q9-A165 VanDerWaalsContact N-O 3.12Å; T163-A165 PolarHBondContact O-N 2.88Å |
| 166 | I | 41.9 | Very low | 49 | Very low | 99 Ų | 99 | 74.1 Ų | 74.1 | 51% | 0.508 | 38% | 0.384 | S | S | . | . | trans | -132 | 140 | -165.5 | -52.5 | 172 | 0 | 0 | 0 | 111.5 | L8 | L8-I166 HydrophobicContact CD2-CD1 4.31Å; L8-I166 HydrophobicContact CD2-CG1 3.9Å | ||
| 167 | P | 32.6 | Very low | 46.9 | Very low | 91 Ų | 91 | 75.3 Ų | 75.3 | 59% | 0.591 | 40% | 0.396 | S | S | * | . | trans | -118.1 | 166.4 | -168.3 | 12.7 | 12.6 | 0 | 0 | 0 | 118.7 | ||||
| 168 | S | 29.3 | Very low | 44.5 | Very low | 64 Ų | 64 | 71.8 Ų | 71.8 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | trans | -157.5 | 138.5 | -169.6 | 170.7 | 0 | 0 | 0 | 0 | 118.5 | R480 | S168-R480 VanDerWaalsContact OG-CD 3.22Å; S168-R480 WeakPolarHBondContact OG-CD 3.34Å; S168-R480 PolarHBondContact OG-NE 2.89Å | ||
| 169 | P | 34.3 | Very low | 41.9 | Very low | 70 Ų | 70 | 74.4 Ų | 74.4 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | trans | -135.2 | 167.1 | 157.3 | 40.9 | -39.2 | 0 | 0 | 0 | 121.7 | R480 L494 | P169-R480 VanDerWaalsContact CD-CZ 3.45Å; P169-R480 PolarHBondContact O-NE 2.93Å; P169-R480 PolarHBondContact O-NH2 3.23Å; P169-L494 WeakPolarHBondContact O-CD1 3.46Å | ||
| 170 | Q | 31.9 | Very low | 39.2 | Very low | 87 Ų | 87 | 80 Ų | 80 | 41% | 0.407 | 44% | 0.438 | S | S | . | . | trans | -99.5 | 0 | -163 | -43.6 | 97.9 | -97.6 | 0 | 0 | 121.7 | L494 N498 | Q170-L494 VanDerWaalsContact CA-CD2 3.45Å; Q170-L494 WeakPolarHBondContact O-CD2 3.48Å; Q170-N498 CarbonylContact C-O 3.56Å | ||
| 171 | E | 28.7 | Very low | 36.5 | Very low | 85 Ų | 85 | 84.1 Ų | 84.1 | 40% | 0.397 | 47% | 0.466 | S | S | . | . | 0 | 138.4 | 0 | -137.7 | 151.9 | -96.9 | 0 | 0 | 120.3 | N498 R499 C500 | E171-N498 PolarHBondContact N-O 3.34Å; E171-R499 WeakPolarHBondContact O-CA 3.49Å; E171-C500 VanDerWaalsContact CA-SG 3.52Å; E171-C500 HydrophobicContact CG-CB 4.43Å | |||
| 172 | Q | 25.2 | Very low | 34.2 | Very low | 101 Ų | 101 | 88.8 Ų | 88.8 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | trans | 116.5 | 159.6 | 172 | -59.9 | 145.1 | 36.4 | 0 | 0 | 125.6 | R499 C500 V501 | Q172-R499 HydrophobicContact CB-CB 4.04Å; Q172-R499 HydrophobicContact CB-CG 4.19Å; Q172-R499 CarbonylContact O-C 3.54Å; Q172-R499 WeakPolarHBondContact O-CA 3.31Å; Q172-R499 WeakPolarHBondContact O-CB 3.45Å; Q172-R499 VanDerWaalsContact OE1-CZ 3.31Å; Q172-C500 CarbonylContact C-O 3.46Å; Q172-C500 VanDerWaalsContact CA-O 3.28Å; Q172-C500 WeakPolarHBondContact CA-O 3.15Å; Q172-C500 PolarHBondContact N-O 3.27Å; Q172-C500 CarbonylContact O-C 3.5Å; Q172-C500 PolarHBondContact O-N 3.23Å; Q172-V501 PolarHBondContact O-N 3.31Å | ||
| 173 | S | 27.7 | Very low | 31.9 | Very low | 35 Ų | 35 | 90.2 Ų | 90.2 | 25% | 0.245 | 53% | 0.526 | C | S | . | . | trans | -143.5 | 177.7 | -171.7 | -11.3 | 0 | 0 | 0 | 0 | 118.3 | W492 C500 | S173-W492 VanDerWaalsContact OG-CZ3 3.23Å; S173-W492 WeakPolarHBondContact OG-CZ3 3.36Å; S173-C500 PolarHBondContact OG-O 2.01Å | ||
| 174 | Q | 24.8 | Very low | 30.3 | Very low | 181 Ų | 181 | 95.9 Ų | 95.9 | 85% | 0.846 | 55% | 0.552 | S | S | * | * | trans | -168.5 | 164 | 140 | -108.3 | 166.5 | -9.3 | 0 | 0 | 114.2 | ||||
| 175 | E | 28.4 | Very low | 28.8 | Very low | 165 Ų | 165 | 96.6 Ų | 96.6 | 77% | 0.771 | 56% | 0.558 | S | S | * | * | trans | -115.5 | 166.9 | -151.9 | -51.1 | 150.9 | 110.3 | 0 | 0 | 116.8 | ||||
| 176 | F | 26.8 | Very low | 28 | Very low | 221 Ų | 221 | 105.2 Ų | 105.2 | 97% | 0.969 | 60% | 0.595 | S | S | * | * | trans | -173.2 | 167.7 | 146.2 | -93.7 | -57.6 | 0 | 0 | 0 | 112.6 | ||||
| 177 | S | 28.7 | Very low | 27.1 | Very low | 61 Ų | 61 | 106.7 Ų | 106.7 | 43% | 0.427 | 61% | 0.608 | S | S | . | * | trans | -133 | 174.8 | -174.2 | 69.7 | 0 | 0 | 0 | 0 | 115 | H415 | S177-H415 PolarHBondContact OG-CD2 2.57Å; S177-H415 PolarHBondContact OG-CE1 3.33Å; S177-H415 VanDerWaalsContact OG-CE1 3.31Å; S177-H415 PolarHBondContact OG-NE2 3.17Å | ||
| 178 | C | 25.8 | Very low | 26.6 | Very low | 18 Ų | 18 | 110.1 Ų | 110.1 | 12% | 0.122 | 62% | 0.622 | C | S | . | * | trans | -140.2 | 161.1 | 173.2 | -77.1 | 0 | 0 | 0 | 0 | 114.6 | G351 T352 H415 | C178-G351 VanDerWaalsContact CB-C 3.49Å; C178-G351 WeakPolarHBondContact CB-O 3.25Å; C178-G351 PolarHBondContact SG-N 3.11Å; C178-G351 VanDerWaalsContact SG-N 3.41Å; C178-T352 VanDerWaalsContact CB-OG1 3.27Å; C178-T352 WeakPolarHBondContact CB-OG1 3.28Å; C178-H415 PolarHBondContact O-CE1 3.27Å; C178-H415 PolarHBondContact O-ND1 2.03Å | ||
| 179 | G | 26.9 | Very low | 26.5 | Very low | 55 Ų | 55 | 114 Ų | 114 | 57% | 0.567 | 64% | 0.637 | S | S | * | * | trans | 176.6 | 135.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 180 | I | 26.4 | Very low | 26 | Very low | 118 Ų | 118 | 117 Ų | 117 | 61% | 0.605 | 65% | 0.654 | S | S | * | * | trans | -97.4 | 124.3 | 171.4 | -70.4 | -168.6 | 0 | 0 | 0 | 109.2 | ||||
| 181 | S | 25.6 | Very low | 25.6 | Very low | 85 Ų | 85 | 122.1 Ų | 122.1 | 59% | 0.594 | 68% | 0.675 | S | S | * | * | trans | -83.9 | 132.7 | 174.2 | 46.7 | 0 | 0 | 0 | 0 | 111.3 | S183 | S181-S183 PolarHBondContact O-N 3.06Š| ||
| 182 | A | 27.2 | Very low | 25.4 | Very low | 117 Ų | 117 | 122.8 Ų | 122.8 | 97% | 0.967 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -75 | 62.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 183 | S | 23.7 | Very low | 25.2 | Very low | 85 Ų | 85 | 125.3 Ų | 125.3 | 59% | 0.594 | 71% | 0.705 | S | S | * | * | trans | -150.5 | 87.3 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 111.6 | S181 S185 | S181-S183 PolarHBondContact O-N 3.06Å; S183-S185 PolarHBondContact O-N 3.04Å | ||
| 184 | L | 24.9 | Very low | 25.1 | Very low | 178 Ų | 178 | 128.2 Ų | 128.2 | 93% | 0.932 | 73% | 0.731 | S | S | * | * | trans | -88.6 | 80.6 | 162.1 | -77.7 | 173.2 | 0 | 0 | 0 | 108.9 | ||||
| 185 | S | 22.6 | Very low | 25.3 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | -69.6 | 141.8 | 165.4 | -166.9 | 0 | 0 | 0 | 0 | 110.2 | S183 | S183-S185 PolarHBondContact O-N 3.04Š| ||
| 186 | F | 25.4 | Very low | 24.9 | Very low | 186 Ų | 186 | 123.2 Ų | 123.2 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | trans | -83.9 | 119.7 | -171.4 | -124.4 | -108.6 | 0 | 0 | 0 | 111.7 | ||||
| 187 | T | 22.3 | Very low | 24.6 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 80% | 0.798 | 73% | 0.727 | S | S | * | * | trans | -149.3 | 142.9 | 150.9 | 34.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 188 | D | 23 | Very low | 24.3 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 87% | 0.866 | 75% | 0.748 | S | S | * | * | trans | 49.6 | 109.2 | 173.1 | -70.3 | -27.4 | 0 | 0 | 0 | 120.5 | ||||
| 189 | L | 26.3 | Very low | 24 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -74.3 | 152.3 | 154.8 | -58.6 | 94.7 | 0 | 0 | 0 | 110.2 | ||||
| 190 | T | 23.3 | Very low | 23.8 | Very low | 133 Ų | 133 | 137 Ų | 137 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | -172.1 | 154.3 | 114.8 | 24.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 191 | K | 23.7 | Very low | 23.6 | Very low | 195 Ų | 195 | 137 Ų | 137 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | 78.7 | 104.2 | 164.4 | -68.8 | 168.1 | -176.4 | 173.3 | 0 | 119.6 | ||||
| 192 | S | 24.2 | Very low | 23.5 | Very low | 98 Ų | 98 | 138 Ų | 138 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | trans | 79.5 | 101.7 | 134.3 | 57.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 193 | N | 22.6 | Very low | 23.4 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | 68.1 | 88.8 | 120.8 | -56.7 | 4.2 | 0 | 0 | 0 | 120.1 | |||||
| 194 | A | 25.6 | Very low | 23.4 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | 50.4 | 157.7 | 115.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 195 | P | 27.4 | Very low | 23.4 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | cis | -128.8 | 172.1 | -37.2 | 37.6 | -23.5 | 0 | 0 | 0 | 112.2 | ||||
| 196 | C | 20.3 | Very low | 23.5 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -129 | 136.6 | 159.4 | -78.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 197 | Q | 20.6 | Very low | 23.3 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -91.3 | 131.1 | -168.1 | -66.6 | 164.7 | -42.2 | 0 | 0 | 111.2 | ||||
| 198 | F | 22.4 | Very low | 23.5 | Very low | 202 Ų | 202 | 138.5 Ų | 138.5 | 89% | 0.886 | 82% | 0.817 | S | S | * | * | trans | -85 | 112.9 | 161.4 | -82.8 | -91.5 | 0 | 0 | 0 | 108.7 | ||||
| 199 | S | 20.6 | Very low | 23.5 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -79.9 | 116.1 | 171.5 | 35.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 200 | T | 21.4 | Very low | 23.5 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 83% | 0.828 | 82% | 0.816 | S | S | * | * | trans | -79.7 | 120.5 | 175.6 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 201 | S | 22.1 | Very low | 23.7 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -96.3 | 115.1 | 166.2 | 43.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 202 | S | 23.3 | Very low | 23.6 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -69 | 150.1 | 177.3 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 203 | P | 26.2 | Very low | 23.6 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 144.4 | 174.2 | 30.8 | -34.6 | 0 | 0 | 0 | 111.6 | ||
| 204 | A | 22.7 | Very low | 23.7 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 149.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 205 | H | 24.9 | Very low | 23.8 | Very low | 180 Ų | 180 | 140.8 Ų | 140.8 | 83% | 0.833 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 139.4 | 178.8 | -75.3 | -99.2 | 0 | 0 | 0 | 113.2 | ||
| 206 | L | 25 | Very low | 23.6 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 92% | 0.916 | 84% | 0.843 | S | S | * | * | trans | -136.5 | 132.5 | 149.2 | -76.8 | 176.5 | 0 | 0 | 0 | 108.9 | ||||
| 207 | S | 22.1 | Very low | 24 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 84% | 0.84 | S | S | * | * | trans | -92.7 | 152.3 | -177.6 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 208 | P | 25.5 | Very low | 24.2 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -75.6 | 155.8 | 175.2 | 32.5 | -35.4 | 0 | 0 | 0 | 112.3 | ||||
| 209 | V | 23.1 | Very low | 24.4 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | trans | -130.7 | 140.9 | 168 | 176.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 210 | P | 26.1 | Very low | 24.7 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | trans | -70.6 | 150.7 | -162.8 | -21.6 | 34.7 | 0 | 0 | 0 | 115.4 | ||||
| 211 | Q | 27.1 | Very low | 25.2 | Very low | 194 Ų | 194 | 134.8 Ų | 134.8 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | trans | -80.2 | 145.2 | 167.5 | -64.6 | -178.8 | -4 | 0 | 0 | 110.6 | ||||
| 212 | N | 23.3 | Very low | 26.1 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -150.3 | 83 | 168.5 | -148.3 | -6.5 | 0 | 0 | 0 | 110.7 | ||||
| 213 | A | 24.2 | Very low | 27 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -152 | 129 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 214 | S | 23.5 | Very low | 28 | Very low | 121 Ų | 121 | 142 Ų | 142 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -83.7 | 151 | -172.1 | 39.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 215 | Q | 28.6 | Very low | 29.5 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -34.1 | 136.2 | 175.8 | -57.6 | 164.3 | -6.7 | 0 | 0 | 116.6 | ||||
| 216 | Q | 23.6 | Very low | 31.4 | Very low | 189 Ų | 189 | 131.3 Ų | 131.3 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | -146.3 | 139.8 | 118.3 | -77.2 | -152.8 | -10.4 | 0 | 0 | 110.5 | A218 | Q216-A218 PolarHBondContact O-N 2.88Š| |||
| 217 | P | 27.3 | Very low | 33.4 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -84.7 | 104.7 | -179.4 | 32.3 | -32.9 | 0 | 0 | 0 | 111.9 | G219 | P217-G219 PolarHBondContact O-N 2.72Š| ||
| 218 | A | 24.5 | Very low | 36 | Very low | 96 Ų | 96 | 119.8 Ų | 119.8 | 79% | 0.793 | 67% | 0.667 | S | S | * | * | trans | -70.6 | 128.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q216 A220 | Q216-A218 PolarHBondContact O-N 2.88Å; A218-A220 PolarHBondContact O-N 2.8Å | ||
| 219 | G | 26.9 | Very low | 38.5 | Very low | 69 Ų | 69 | 115.8 Ų | 115.8 | 71% | 0.711 | 64% | 0.642 | S | S | * | * | trans | -65.5 | 106.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P217 H221 | P217-G219 PolarHBondContact O-N 2.72Å; G219-H221 PolarHBondContact O-N 2.86Å | ||
| 220 | A | 28.1 | Very low | 41.3 | Very low | 98 Ų | 98 | 113.3 Ų | 113.3 | 81% | 0.81 | 62% | 0.622 | S | S | * | * | trans | -69.7 | 99 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A218 R222 | A218-A220 PolarHBondContact O-N 2.8Å; A220-R222 PolarHBondContact O-N 2.8Å | ||
| 221 | H | 31.5 | Very low | 44 | Very low | 181 Ų | 181 | 108.7 Ų | 108.7 | 84% | 0.838 | 59% | 0.588 | S | S | * | * | trans | -58.6 | 111.3 | 171.9 | -78.4 | -80.2 | 0 | 0 | 0 | 110.3 | G219 R223 | G219-H221 PolarHBondContact O-N 2.86Å; H221-R223 PolarHBondContact O-N 2.9Å | ||
| 222 | R | 39.6 | Very low | 46.8 | Very low | 172 Ų | 172 | 100.5 Ų | 100.5 | 65% | 0.649 | 55% | 0.549 | S | S | * | . | trans | -56.1 | 103.5 | 173.8 | -74.1 | -174.9 | 174.6 | 167.2 | 4.9 | 109.8 | A220 R224 D679 | A220-R222 PolarHBondContact O-N 2.8Å; R222-R224 PolarHBondContact O-N 2.74Å; R222-D679 IonicContact CZ-OD1 2.69Å; R222-D679 IonicContact NH1-OD1 2.99Å; R222-D679 PolarHBondContact NH1-OD1 2.77Å | ||
| 223 | R | 44.2 | Very low | 49.9 | Very low | 151 Ų | 151 | 92.2 Ų | 92.2 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -62 | 119.2 | 171 | -75.2 | -171.2 | 177.2 | 170.2 | 5 | 108.5 | H221 R225 D446 | H221-R223 PolarHBondContact O-N 2.9Å; R223-R225 PolarHBondContact O-N 2.99Å; R223-D446 IonicContact CZ-OD2 2.66Å; R223-D446 IonicContact NE-OD2 3.29Å; R223-D446 IonicContact NH1-OD2 2.88Å; R223-D446 PolarHBondContact NH1-OD2 3.43Å |
| 224 | R | 46.7 | Very low | 52.8 | Low | 187 Ų | 187 | 88.7 Ų | 88.7 | 71% | 0.706 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 118.4 | 171.7 | -67.3 | -171 | -174.7 | -168.7 | 1.2 | 108.5 | R222 V227 E581 | R222-R224 PolarHBondContact O-N 2.74Å; R224-V227 HydrophobicContact CB-CG2 3.61Å; R224-V227 WeakPolarHBondContact O-CG2 3.46Å; R224-E581 WeakPolarHBondContact CD-OE1 3.1Å; R224-E581 IonicContact CZ-OE1 3.51Å; R224-E581 IonicContact NE-OE1 3.41Å; R224-E581 IonicContact NH1-OE1 2.76Å; R224-E581 PolarHBondContact NH1-OE1 3.11Å |
| 225 | R | 53.8 | Low | 55.9 | Low | 53 Ų | 53 | 82.9 Ų | 82.9 | 20% | 0.2 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -83.8 | 163.6 | 173.6 | -75.5 | 178.4 | 172 | -138.8 | 5.5 | 110.8 | R223 V227 D438 S439 N666 E668 | R223-R225 PolarHBondContact O-N 2.99Å; R225-V227 PolarHBondContact O-N 2.92Å; R225-D438 WeakPolarHBondContact CD-O 3.43Å; R225-D438 PolarHBondContact NH1-O 3.13Å; R225-S439 PolarHBondContact NH1-O 3.42Å; R225-S439 PolarHBondContact NH2-O 3.43Å; R225-N666 PolarHBondContact NH1-O 3.19Å; R225-E668 VanDerWaalsContact CD-OE1 3.24Å; R225-E668 WeakPolarHBondContact CD-OE1 3.35Å; R225-E668 VanDerWaalsContact CZ-CB 3.43Å; R225-E668 IonicContact CZ-OE1 2.67Å; R225-E668 IonicContact CZ-OE2 3.16Å; R225-E668 IonicContact NE-OE1 2.83Å; R225-E668 PolarHBondContact NE-OE1 3.33Å; R225-E668 IonicContact NE-OE2 3.15Å; R225-E668 PolarHBondContact NE-OE2 2.93Å; R225-E668 VanDerWaalsContact NH2-CD 3.25Å; R225-E668 IonicContact NH2-OE1 3.57Å; R225-E668 IonicContact NH2-OE2 3.94Å; R225-E668 PolarHBondContact NH2-OE2 3.47Å |
| 226 | S | 64.1 | Low | 58.7 | Low | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.007 | 39% | 0.39 | C | S | . | . | S | Bend | trans | 54.3 | 35.2 | -169.3 | -62.4 | 0 | 0 | 0 | 0 | 114 | D438 E581 R582 | S226-D438 WeakPolarHBondContact CA-OD1 3.35Å; S226-D438 VanDerWaalsContact CA-OD2 3.23Å; S226-D438 WeakPolarHBondContact CA-OD2 3.33Å; S226-D438 VanDerWaalsContact CB-OD2 3.32Å; S226-D438 WeakPolarHBondContact CB-OD2 3.38Å; S226-D438 PolarHBondContact OG-OD2 2.94Å; S226-E581 CarbonylContact O-C 3.38Å; S226-E581 WeakPolarHBondContact O-CA 3.23Å; S226-R582 WeakPolarHBondContact O-CG 3.29Å; S226-R582 PolarHBondContact O-N 3.31Å |
| 227 | V | 67.1 | Low | 62 | Low | 33 Ų | 33 | 65.1 Ų | 65.1 | 20% | 0.2 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 110.7 | 164.4 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | R224 R225 S229 G580 E581 | R224-V227 HydrophobicContact CB-CG2 3.61Å; R224-V227 WeakPolarHBondContact O-CG2 3.46Å; R225-V227 PolarHBondContact O-N 2.92Å; V227-S229 PolarHBondContact O-N 3.36Å; V227-S229 PolarHBondContact O-OG 3.44Å; V227-G580 CarbonylContact C-O 3.55Å; V227-E581 HydrophobicContact CG2-CG 3.76Å |
| 228 | S | 76.4 | Confident | 65.2 | Low | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 114.5 | 165.6 | -175.3 | 0 | 0 | 0 | 0 | 108 | C578 L579 G580 | S228-C578 VanDerWaalsContact CB-O 3.23Å; S228-C578 WeakPolarHBondContact CB-O 3.45Å; S228-C578 PolarHBondContact OG-O 3.15Å; S228-L579 CarbonylContact O-C 3.56Å; S228-L579 WeakPolarHBondContact O-CA 3.44Å; S228-G580 WeakPolarHBondContact CB-O 3.28Å; S228-G580 PolarHBondContact N-O 3.32Å; S228-G580 PolarHBondContact O-N 3.38Å |
| 229 | S | 78.4 | Confident | 68.5 | Low | 42 Ų | 42 | 54.5 Ų | 54.5 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | trans | -147.2 | 153.7 | -172.6 | 38.5 | 0 | 0 | 0 | 0 | 108.1 | V227 R231 | V227-S229 PolarHBondContact O-N 3.36Å; V227-S229 PolarHBondContact O-OG 3.44Å; S229-R231 VanDerWaalsContact C-NH1 3.33Å; S229-R231 PolarHBondContact O-NH1 3.22Å; S229-R231 VanDerWaalsContact O-NH1 3.1Å; S229-R231 PolarHBondContact OG-NH1 3.45Å; S229-R231 PolarHBondContact OG-NH2 3.45Å; S229-R231 VanDerWaalsContact OG-NH2 3.07Å | ||
| 230 | E | 81.4 | Confident | 71.6 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 38% | 0.379 | 24% | 0.238 | S | C | . | . | trans | -64.9 | 140.8 | -177.6 | -53.9 | -164.1 | 112.8 | 0 | 0 | 110.4 | F232 V275 L579 | E230-F232 HydrophobicContact CB-CE2 4.14Å; E230-F232 HydrophobicContact CB-CZ 3.98Å; E230-V275 HydrophobicContact CB-CG1 4.32Å; E230-V275 HydrophobicContact CG-CB 4.43Å; E230-V275 HydrophobicContact CG-CG1 3.91Å; E230-L579 HydrophobicContact CG-CD1 4.24Å; E230-L579 HydrophobicContact CG-CD2 4.15Å | ||
| 231 | R | 84.4 | Confident | 74.6 | Confident | 28 Ų | 28 | 49.4 Ų | 49.4 | 11% | 0.106 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142.9 | 174.4 | -67.1 | -67.8 | 173.7 | -74.2 | 3.3 | 109.3 | S229 V275 V276 N277 L437 L445 D446 | S229-R231 VanDerWaalsContact C-NH1 3.33Å; S229-R231 PolarHBondContact O-NH1 3.22Å; S229-R231 VanDerWaalsContact O-NH1 3.1Å; S229-R231 PolarHBondContact OG-NH1 3.45Å; S229-R231 PolarHBondContact OG-NH2 3.45Å; S229-R231 VanDerWaalsContact OG-NH2 3.07Å; R231-V275 PolarHBondContact N-O 2.04Å; R231-V276 HydrophobicContact CB-CG2 4.47Å; R231-N277 WeakPolarHBondContact O-CB 3.42Å; R231-N277 PolarHBondContact O-N 2.03Å; R231-N277 PolarHBondContact O-ND2 3.3Å; R231-L437 HydrophobicContact CG-CD1 4.17Å; R231-L437 HydrophobicContact CG-CD2 4Å; R231-L445 WeakPolarHBondContact CA-O 3.35Å; R231-L445 HydrophobicContact CB-CB 4.16Å; R231-D446 WeakPolarHBondContact CD-OD1 3.48Å; R231-D446 IonicContact CZ-OD1 2.7Å; R231-D446 IonicContact NE-OD1 3.24Å; R231-D446 PolarHBondContact NE-OD1 3.26Å; R231-D446 IonicContact NH1-OD1 3.81Å; R231-D446 PolarHBondContact NH1-OD1 2.6Å; R231-D446 IonicContact NH2-OD1 3.88Å; R231-D446 PolarHBondContact NH2-OD1 2.89Å; R231-D446 VanDerWaalsContact NH2-OD1 3.16Å |
| 232 | F | 84.4 | Confident | 77.2 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.1 | -179.7 | -55.4 | -83 | 0 | 0 | 0 | 108.3 | E230 N277 I279 L445 E448 P449 | E230-F232 HydrophobicContact CB-CE2 4.14Å; E230-F232 HydrophobicContact CB-CZ 3.98Å; F232-N277 WeakPolarHBondContact CA-O 3.46Å; F232-N277 HydrophobicContact CD1-CB 3.75Å; F232-N277 HydrophobicContact CE1-CB 4.18Å; F232-I279 HydrophobicContact CB-CD1 4.47Å; F232-I279 HydrophobicContact CD1-CD1 3.83Å; F232-L445 PolarHBondContact N-O 2.88Å; F232-L445 VanDerWaalsContact O-CA 3.24Å; F232-L445 WeakPolarHBondContact O-CA 3.08Å; F232-L445 VanDerWaalsContact O-CB 3.26Å; F232-L445 WeakPolarHBondContact O-CB 3.25Å; F232-L445 VanDerWaalsContact O-CD2 3.24Å; F232-L445 WeakPolarHBondContact O-CD2 3.49Å; F232-E448 HydrophobicContact CD2-CB 4.16Å; F232-E448 HydrophobicContact CE2-CB 3.7Å; F232-E448 HydrophobicContact CE2-CG 4.07Å; F232-E448 HydrophobicContact CZ-CB 4.11Å; F232-E448 HydrophobicContact CZ-CG 3.95Å; F232-E448 WeakPolarHBondContact CZ-OE1 3.43Å; F232-P449 HydrophobicContact CD1-CG 4.46Å |
| 233 | V | 88.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 94.9 | 178.2 | -171.7 | 0 | 0 | 0 | 0 | 107.7 | T235 V276 N277 I278 I279 N333 M361 F390 L445 | V233-T235 PolarHBondContact O-N 3.07Å; V233-T235 VanDerWaalsContact O-N 3.13Å; V233-T235 PolarHBondContact O-OG1 2.64Å; V233-V276 HydrophobicContact CG2-CG1 3.75Å; V233-N277 PolarHBondContact N-O 3.01Å; V233-I278 HydrophobicContact CB-CD1 3.76Å; V233-I278 HydrophobicContact CG1-CD1 4.28Å; V233-I278 HydrophobicContact CG2-CD1 3.72Å; V233-I279 PolarHBondContact O-N 3.07Å; V233-N333 HydrophobicContact CG1-CB 3.84Å; V233-M361 HydrophobicContact CG1-CE 3.97Å; V233-M361 HydrophobicContact CG1-SD 4.13Å; V233-F390 HydrophobicContact CG2-CE2 4.4Å; V233-F390 HydrophobicContact CG2-CZ 3.89Å; V233-L445 HydrophobicContact CB-CD2 4.4Å; V233-L445 HydrophobicContact CG1-CD2 4.42Å; V233-L445 HydrophobicContact CG2-CD1 4.29Å; V233-L445 HydrophobicContact CG2-CD2 4.08Å |
| 234 | E | 85.6 | Confident | 81.6 | Confident | 26 Ų | 26 | 29.8 Ų | 29.8 | 12% | 0.121 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 109.8 | 173.4 | -65.7 | -162.9 | 129.1 | 0 | 0 | 108.7 | T281 H330 H331 D332 N333 | E234-T281 HydrophobicContact CB-CG2 3.62Å; E234-T281 HydrophobicContact CG-CG2 3.82Å; E234-H330 IonicContact OE2-CG 3.13Å; E234-H330 IonicContact OE2-ND1 2.74Å; E234-H330 PolarHBondContact OE2-ND1 3.33Å; E234-H330 VanDerWaalsContact OE2-ND1 3.11Å; E234-H331 CarbonylContact O-C 3.58Å; E234-H331 WeakPolarHBondContact O-CA 3.21Å; E234-D332 HydrophobicContact CB-CB 4.5Å; E234-D332 WeakPolarHBondContact CB-OD2 3.31Å; E234-D332 PolarHBondContact N-OD2 2.91Å; E234-D332 PolarHBondContact O-N 2.8Å; E234-N333 PolarHBondContact O-N 3.07Å; E234-N333 VanDerWaalsContact O-N 3.11Å |
| 235 | T | 88.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 118.2 | -169.3 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | V233 V237 M260 I279 V280 T281 N333 V335 | V233-T235 PolarHBondContact O-N 3.07Å; V233-T235 VanDerWaalsContact O-N 3.13Å; V233-T235 PolarHBondContact O-OG1 2.64Å; T235-V237 HydrophobicContact CG2-CG2 4.04Å; T235-M260 HydrophobicContact CG2-CE 3.97Å; T235-I279 PolarHBondContact N-O 2.69Å; T235-V280 WeakPolarHBondContact O-CA 3.46Å; T235-T281 PolarHBondContact O-N 3.18Å; T235-N333 WeakPolarHBondContact CA-O 3.43Å; T235-V335 HydrophobicContact CG2-CB 4.48Å; T235-V335 HydrophobicContact CG2-CG2 3.74Å |
| 236 | L | 89.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 129.9 | 161.5 | 167.4 | 65 | 0 | 0 | 0 | 108.5 | V238 R282 I284 Q310 I313 H331 N333 A334 V335 | L236-V238 HydrophobicContact CD1-CG2 4.07Å; L236-V238 HydrophobicContact CD2-CG2 4.05Å; L236-V238 HydrophobicContact CG-CG2 3.86Å; L236-R282 HydrophobicContact CD1-CB 3.94Å; L236-R282 HydrophobicContact CD1-CG 3.96Å; L236-I284 HydrophobicContact CD1-CD1 3.89Å; L236-I284 HydrophobicContact CD1-CG1 4.01Å; L236-Q310 HydrophobicContact CD2-CB 4.33Å; L236-I313 HydrophobicContact CD2-CD1 3.79Å; L236-H331 HydrophobicContact CB-CB 3.89Å; L236-N333 PolarHBondContact N-O 2.94Å; L236-A334 HydrophobicContact CB-CB 4.45Å; L236-A334 HydrophobicContact CD2-CB 4.31Å; L236-A334 WeakPolarHBondContact O-CA 3.34Å; L236-V335 PolarHBondContact O-N 2.84Å |
| 237 | V | 92.5 | Very high | 85 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 133.6 | 171.5 | -173 | 0 | 0 | 0 | 0 | 109.5 | T235 I256 M260 V280 R282 L283 I284 V335 I337 | T235-V237 HydrophobicContact CG2-CG2 4.04Å; V237-I256 HydrophobicContact CG1-CG2 3.61Å; V237-M260 HydrophobicContact CG2-CE 3.96Å; V237-M260 HydrophobicContact CG2-CG 4.01Å; V237-M260 HydrophobicContact CG2-SD 4Å; V237-V280 HydrophobicContact CG2-CG1 4.04Å; V237-V280 HydrophobicContact CG2-CG2 4.06Å; V237-R282 PolarHBondContact N-O 2.69Å; V237-L283 HydrophobicContact CB-CD1 4.16Å; V237-L283 HydrophobicContact CG1-CD1 4.21Å; V237-L283 WeakPolarHBondContact O-CA 3.4Å; V237-I284 PolarHBondContact O-N 2.89Å; V237-V335 WeakPolarHBondContact CA-O 3.41Å; V237-I337 HydrophobicContact CG1-CD1 3.88Å; V237-I337 HydrophobicContact CG1-CG1 4.39Å |
| 238 | V | 93.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.2 | -179.1 | -171.8 | 0 | 0 | 0 | 0 | 108.9 | L236 I284 L286 F306 W309 V335 L336 I337 | L236-V238 HydrophobicContact CD1-CG2 4.07Å; L236-V238 HydrophobicContact CD2-CG2 4.05Å; L236-V238 HydrophobicContact CG-CG2 3.86Å; V238-I284 CarbonylContact C-O 3.49Å; V238-I284 VanDerWaalsContact CA-O 3.31Å; V238-I284 WeakPolarHBondContact CA-O 3.47Å; V238-I284 HydrophobicContact CG1-CB 4.34Å; V238-I284 HydrophobicContact CG1-CG2 4.37Å; V238-I284 HydrophobicContact CG2-CB 4.27Å; V238-L286 HydrophobicContact CG1-CD1 4.09Å; V238-L286 HydrophobicContact CG1-CD2 4.48Å; V238-L286 HydrophobicContact CG1-CG 4.09Å; V238-F306 HydrophobicContact CB-CE2 3.98Å; V238-F306 HydrophobicContact CB-CZ 4.27Å; V238-F306 HydrophobicContact CG1-CE2 4.39Å; V238-F306 HydrophobicContact CG2-CE2 3.78Å; V238-F306 HydrophobicContact CG2-CZ 3.97Å; V238-W309 HydrophobicContact CG1-CZ3 4.39Å; V238-W309 HydrophobicContact CG2-CZ3 4.11Å; V238-V335 PolarHBondContact N-O 3.13Å; V238-L336 HydrophobicContact CB-CD1 4.05Å; V238-L336 HydrophobicContact CG1-CD1 3.93Å; V238-L336 CarbonylContact O-C 3.54Å; V238-L336 WeakPolarHBondContact O-CA 3.31Å; V238-I337 PolarHBondContact O-N 3.5Å |
| 239 | A | 93.8 | Very high | 85 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | M243 I252 I256 I284 L286 I337 | A239-M243 HydrophobicContact CB-CB 3.99Å; A239-M243 HydrophobicContact CB-CG 4.08Å; A239-I252 HydrophobicContact CB-CD1 4.14Å; A239-I256 HydrophobicContact CB-CD1 3.44Å; A239-I256 VanDerWaalsContact CB-CD1 3.44Å; A239-I284 PolarHBondContact N-O 2.59Å; A239-L286 PolarHBondContact O-N 3.25Å; A239-I337 WeakPolarHBondContact CA-O 3.46Å |
| 240 | D | 92.9 | Very high | 84.1 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | trans | -82.9 | 177.3 | -174 | 82 | -10.3 | 0 | 0 | 0 | 114.2 | M242 M243 V244 L286 I295 I337 T338 Y340 | D240-M242 PolarHBondContact O-N 2.69Å; D240-M242 WeakPolarHBondContact OD1-CA 3.47Å; D240-M242 VanDerWaalsContact OD1-CB 3.31Å; D240-M242 WeakPolarHBondContact OD1-CB 3.42Å; D240-M242 PolarHBondContact OD1-N 3.07Å; D240-M243 WeakPolarHBondContact O-CB 3.47Å; D240-M243 PolarHBondContact O-N 3.2Å; D240-M243 WeakPolarHBondContact OD1-CG 3Å; D240-M243 PolarHBondContact OD1-N 2.82Å; D240-V244 PolarHBondContact O-N 3.46Å; D240-L286 CarbonylContact C-O 3.54Å; D240-I295 HydrophobicContact CB-CD1 3.88Å; D240-I337 PolarHBondContact N-O 3.05Å; D240-T338 WeakPolarHBondContact OD2-CB 3.42Å; D240-T338 PolarHBondContact OD2-OG1 3.39Å; D240-Y340 WeakPolarHBondContact OD2-CD2 3.2Å | ||
| 241 | K | 90.1 | Very high | 83.5 | Confident | 56 Ų | 56 | 38.9 Ų | 38.9 | 24% | 0.243 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -26.8 | 177 | 75.9 | -167.3 | -174.8 | -155.4 | 0 | 113.2 | V244 G245 L286 D289 Y340 | K241-V244 PolarHBondContact O-N 2.86Å; K241-G245 PolarHBondContact O-N 2.91Å; K241-L286 VanDerWaalsContact CA-O 3.24Å; K241-L286 WeakPolarHBondContact CA-O 3.43Å; K241-L286 PolarHBondContact N-O 2.99Å; K241-D289 WeakPolarHBondContact CD-OD1 3.23Å; K241-D289 IonicContact NZ-OD1 2.7Å; K241-D289 PolarHBondContact NZ-OD1 2.72Å; K241-D289 IonicContact NZ-OD2 3.66Å; K241-D289 PolarHBondContact NZ-OD2 2.94Å; K241-Y340 WeakPolarHBondContact CE-OH 3.35Å; K241-Y340 PolarHBondContact NZ-OH 2.77Å |
| 242 | M | 87.1 | Confident | 83.3 | Confident | 73 Ų | 73 | 37.6 Ų | 37.6 | 36% | 0.36 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -74.9 | -38.8 | 179.9 | -57.4 | -62.7 | -69.4 | 0 | 0 | 110.4 | D240 G245 Y246 R339 Y340 | D240-M242 PolarHBondContact O-N 2.69Å; D240-M242 WeakPolarHBondContact OD1-CA 3.47Å; D240-M242 VanDerWaalsContact OD1-CB 3.31Å; D240-M242 WeakPolarHBondContact OD1-CB 3.42Å; D240-M242 PolarHBondContact OD1-N 3.07Å; M242-G245 PolarHBondContact O-N 3.17Å; M242-Y246 WeakPolarHBondContact O-CB 3.06Å; M242-Y246 PolarHBondContact O-N 2.76Å; M242-R339 HydrophobicContact CB-CB 3.89Å; M242-Y340 HydrophobicContact CG-CD2 3.91Å; M242-Y340 HydrophobicContact CG-CE2 3.54Å; M242-Y340 HydrophobicContact SD-CE2 4.47Å |
| 243 | M | 88.9 | Confident | 83 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.3 | -46.6 | 167.9 | -67.1 | -65 | -70.4 | 0 | 0 | 111.5 | A239 D240 G245 Y246 H247 I252 Y255 I337 R339 D373 | A239-M243 HydrophobicContact CB-CB 3.99Å; A239-M243 HydrophobicContact CB-CG 4.08Å; D240-M243 WeakPolarHBondContact O-CB 3.47Å; D240-M243 PolarHBondContact O-N 3.2Å; D240-M243 WeakPolarHBondContact OD1-CG 3Å; D240-M243 PolarHBondContact OD1-N 2.82Å; M243-G245 PolarHBondContact O-N 3.41Å; M243-Y246 PolarHBondContact O-N 3.33Å; M243-H247 PolarHBondContact O-N 2.64Å; M243-I252 HydrophobicContact CB-CD1 3.76Å; M243-Y255 HydrophobicContact CE-CD1 4.18Å; M243-Y255 HydrophobicContact CE-CE1 3.94Å; M243-I337 HydrophobicContact CE-CB 4.44Å; M243-I337 HydrophobicContact CE-CG2 3.61Å; M243-I337 HydrophobicContact CG-CG2 4.44Å; M243-I337 WeakPolarHBondContact CG-O 3.37Å; M243-I337 HydrophobicContact SD-CG2 3.85Å; M243-R339 HydrophobicContact SD-CG 3.81Å; M243-D373 HydrophobicContact CE-CB 3.9Å; M243-D373 HydrophobicContact SD-CB 3.36Å; M243-D373 WeakPolarHBondContact SD-CB 3.44Å |
| 244 | V | 86.8 | Confident | 82.1 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 12% | 0.121 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.1 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | D240 K241 Y246 G248 R249 I252 V285 L286 T287 | D240-V244 PolarHBondContact O-N 3.46Å; K241-V244 PolarHBondContact O-N 2.86Å; V244-Y246 VanDerWaalsContact C-N 3.3Å; V244-Y246 PolarHBondContact O-N 3.37Å; V244-G248 WeakPolarHBondContact O-CA 3.09Å; V244-G248 PolarHBondContact O-N 3.25Å; V244-R249 HydrophobicContact CG1-CB 4.16Å; V244-R249 HydrophobicContact CG1-CG 4.35Å; V244-I252 HydrophobicContact CB-CD1 4.49Å; V244-I252 HydrophobicContact CG2-CD1 3.83Å; V244-V285 HydrophobicContact CG2-CG1 3.31Å; V244-L286 WeakPolarHBondContact CG2-O 3.3Å; V244-T287 HydrophobicContact CG1-CG2 4.31Å; V244-T287 HydrophobicContact CG2-CG2 4.46Å |
| 245 | G | 81.1 | Confident | 81.7 | Confident | 70 Ų | 70 | 41.8 Ų | 41.8 | 72% | 0.722 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -66.5 | -28.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K241 M242 M243 | K241-G245 PolarHBondContact O-N 2.91Å; M242-G245 PolarHBondContact O-N 3.17Å; M243-G245 PolarHBondContact O-N 3.41Å |
| 246 | Y | 79 | Confident | 81.4 | Confident | 83 Ų | 83 | 41.9 Ų | 41.9 | 33% | 0.325 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -89.9 | -54.2 | -178.1 | -173.4 | -100.8 | 0 | 0 | 0 | 113.4 | M242 M243 V244 R339 R472 F473 G476 | M242-Y246 WeakPolarHBondContact O-CB 3.06Å; M242-Y246 PolarHBondContact O-N 2.76Å; M243-Y246 PolarHBondContact O-N 3.33Å; V244-Y246 VanDerWaalsContact C-N 3.3Å; V244-Y246 PolarHBondContact O-N 3.37Å; Y246-R339 HydrophobicContact CG-CG 4.46Å; Y246-R339 PolarHBondContact OH-NH2 2.79Å; Y246-R472 PolarHBondContact OH-O 3.19Å; Y246-R472 VanDerWaalsContact OH-O 3.07Å; Y246-F473 WeakPolarHBondContact CE1-O 3.48Å; Y246-F473 PolarHBondContact OH-O 2.76Å; Y246-G476 VanDerWaalsContact OH-CA 3.28Å; Y246-G476 WeakPolarHBondContact OH-CA 3.45Å; Y246-G476 PolarHBondContact OH-N 3.5Å |
| 247 | H | 76.3 | Confident | 80.8 | Confident | 25 Ų | 25 | 43.5 Ų | 43.5 | 12% | 0.116 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -84.9 | -18.3 | -178 | -68.1 | -76.9 | 0 | 0 | 0 | 113.7 | M243 I252 Y255 D373 F473 | M243-H247 PolarHBondContact O-N 2.64Å; H247-I252 HydrophobicContact CB-CB 4.02Å; H247-I252 HydrophobicContact CB-CG1 4.41Å; H247-Y255 AromaticContact CE1-CD1 3.59Å; H247-Y255 AromaticContact CE1-CD2 3.79Å; H247-Y255 AromaticContact CE1-CE1 3.5Å; H247-Y255 VanDerWaalsContact CE1-CE1 3.5Å; H247-Y255 WeakPolarHBondContact CE1-CE1 3.13Å; H247-Y255 AromaticContact CE1-CE2 3.71Å; H247-Y255 AromaticContact CE1-CG 3.74Å; H247-Y255 AromaticContact CE1-CZ 3.55Å; H247-Y255 AromaticContact ND1-CD1 4Å; H247-Y255 AromaticContact ND1-CG 3.87Å; H247-Y255 AromaticContact NE2-CD1 3.62Å; H247-Y255 AromaticContact NE2-CE1 3.38Å; H247-Y255 WeakPolarHBondContact NE2-CE1 3.02Å; H247-Y255 AromaticContact NE2-CZ 3.81Å; H247-D373 IonicContact CD2-OD2 2.88Å; H247-D373 IonicContact CE1-OD2 2.9Å; H247-D373 IonicContact NE2-OD2 3.16Å; H247-D373 PolarHBondContact NE2-OD2 2.76Å; H247-F473 AromaticContact CE1-CD1 3.98Å |
| 248 | G | 76.3 | Confident | 79.8 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | trans | 79.6 | 146.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V244 K250 D251 I252 | V244-G248 WeakPolarHBondContact O-CA 3.09Å; V244-G248 PolarHBondContact O-N 3.25Å; G248-K250 PolarHBondContact O-N 3.49Å; G248-D251 PolarHBondContact O-N 3.48Å; G248-I252 WeakPolarHBondContact O-CB 3.29Å; G248-I252 VanDerWaalsContact O-CG2 3.27Å; G248-I252 WeakPolarHBondContact O-CG2 3.47Å; G248-I252 PolarHBondContact O-N 2.84Å | ||
| 249 | R | 67.4 | Low | 79.1 | Confident | 116 Ų | 116 | 44.7 Ų | 44.7 | 44% | 0.438 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 30.2 | -174.8 | -152.8 | -170.4 | -177.8 | 159.2 | 3.9 | 115.5 | Y84 E91 V244 | Y84-R249 HydrophobicContact CD1-CG 3.99Å; Y84-R249 VanDerWaalsContact CD1-NE 3.33Å; Y84-R249 HydrophobicContact CE1-CG 3.38Å; E91-R249 IonicContact OE2-NH2 2.86Å; V244-R249 HydrophobicContact CG1-CB 4.16Å; V244-R249 HydrophobicContact CG1-CG 4.35Å |
| 250 | K | 59 | Low | 78.6 | Confident | 165 Ų | 165 | 45 Ų | 45 | 72% | 0.717 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -139.9 | -37.4 | 179.1 | -71.3 | 174.9 | -170.3 | 148.5 | 0 | 112.7 | G248 | G248-K250 PolarHBondContact O-N 3.49Š|
| 251 | D | 69.1 | Low | 77.6 | Confident | 103 Ų | 103 | 46.8 Ų | 46.8 | 55% | 0.551 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -20.3 | -169.1 | -50.2 | -71.2 | 0 | 0 | 0 | 110.8 | G248 E253 H254 Y255 | G248-D251 PolarHBondContact O-N 3.48Å; D251-E253 VanDerWaalsContact C-N 3.33Å; D251-E253 PolarHBondContact O-N 3.34Å; D251-H254 PolarHBondContact O-N 3.26Å; D251-H254 VanDerWaalsContact O-N 3.16Å; D251-Y255 PolarHBondContact O-N 3.05Å |
| 252 | I | 79.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -50.2 | -40.6 | 171.3 | -172.2 | 170.9 | 0 | 0 | 0 | 114.7 | A239 M243 V244 H247 G248 Y255 I256 V285 | A239-I252 HydrophobicContact CB-CD1 4.14Å; M243-I252 HydrophobicContact CB-CD1 3.76Å; V244-I252 HydrophobicContact CB-CD1 4.49Å; V244-I252 HydrophobicContact CG2-CD1 3.83Å; H247-I252 HydrophobicContact CB-CB 4.02Å; H247-I252 HydrophobicContact CB-CG1 4.41Å; G248-I252 WeakPolarHBondContact O-CB 3.29Å; G248-I252 VanDerWaalsContact O-CG2 3.27Å; G248-I252 WeakPolarHBondContact O-CG2 3.47Å; G248-I252 PolarHBondContact O-N 2.84Å; I252-Y255 PolarHBondContact O-N 3.33Å; I252-I256 HydrophobicContact CD1-CD1 4.21Å; I252-I256 HydrophobicContact CG1-CD1 3.61Å; I252-I256 HydrophobicContact CG1-CG1 4.27Å; I252-I256 VanDerWaalsContact O-CG1 3.28Å; I252-I256 WeakPolarHBondContact O-CG1 3.19Å; I252-I256 PolarHBondContact O-N 2.93Å; I252-V285 HydrophobicContact CD1-CG1 4.08Å |
| 253 | E | 78.4 | Confident | 76.6 | Confident | 38 Ų | 38 | 41.7 Ų | 41.7 | 18% | 0.178 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 178.3 | -70.1 | 177 | -139 | 0 | 0 | 111.3 | V82 Y84 H94 D251 L257 L283 | V82-E253 HydrophobicContact CG1-CG 4.27Å; Y84-E253 PolarHBondContact OH-OE1 2.96Å; H94-E253 IonicContact CE1-OE2 2.72Å; H94-E253 IonicContact NE2-OE1 2.88Å; D251-E253 VanDerWaalsContact C-N 3.33Å; D251-E253 PolarHBondContact O-N 3.34Å; E253-L257 WeakPolarHBondContact O-CB 3.44Å; E253-L257 VanDerWaalsContact O-CG 3.27Å; E253-L257 WeakPolarHBondContact O-CG 3.43Å; E253-L257 PolarHBondContact O-N 3.05Å; E253-L283 HydrophobicContact CG-CD2 4.27Å |
| 254 | H | 69.3 | Low | 76.2 | Confident | 93 Ų | 93 | 42 Ų | 42 | 43% | 0.431 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68 | -36.4 | 178.8 | -70.9 | -52.1 | 0 | 0 | 0 | 112.1 | D251 S258 Y465 | D251-H254 PolarHBondContact O-N 3.26Å; D251-H254 VanDerWaalsContact O-N 3.16Å; H254-S258 WeakPolarHBondContact O-CB 3.47Å; H254-S258 PolarHBondContact O-N 2.94Å; H254-S258 VanDerWaalsContact O-N 3.11Å; H254-S258 PolarHBondContact O-OG 3Å; H254-Y465 PolarHBondContact O-OH 2.69Å |
| 255 | Y | 77.6 | Confident | 75.6 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 2% | 0.02 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -55.4 | 174.1 | 178.5 | -102 | 0 | 0 | 0 | 111.8 | M243 H247 D251 I252 L257 S258 V259 D373 G375 L376 F473 | M243-Y255 HydrophobicContact CE-CD1 4.18Å; M243-Y255 HydrophobicContact CE-CE1 3.94Å; H247-Y255 AromaticContact CE1-CD1 3.59Å; H247-Y255 AromaticContact CE1-CD2 3.79Å; H247-Y255 AromaticContact CE1-CE1 3.5Å; H247-Y255 VanDerWaalsContact CE1-CE1 3.5Å; H247-Y255 WeakPolarHBondContact CE1-CE1 3.13Å; H247-Y255 AromaticContact CE1-CE2 3.71Å; H247-Y255 AromaticContact CE1-CG 3.74Å; H247-Y255 AromaticContact CE1-CZ 3.55Å; H247-Y255 AromaticContact ND1-CD1 4Å; H247-Y255 AromaticContact ND1-CG 3.87Å; H247-Y255 AromaticContact NE2-CD1 3.62Å; H247-Y255 AromaticContact NE2-CE1 3.38Å; H247-Y255 WeakPolarHBondContact NE2-CE1 3.02Å; H247-Y255 AromaticContact NE2-CZ 3.81Å; D251-Y255 PolarHBondContact O-N 3.05Å; I252-Y255 PolarHBondContact O-N 3.33Å; Y255-L257 PolarHBondContact O-N 3.1Å; Y255-S258 WeakPolarHBondContact O-CB 3.17Å; Y255-S258 PolarHBondContact O-N 3.23Å; Y255-V259 HydrophobicContact CD1-CG2 4.48Å; Y255-V259 HydrophobicContact CE1-CG2 3.97Å; Y255-V259 HydrophobicContact CE2-CG2 4.2Å; Y255-V259 PolarHBondContact O-N 3.12Å; Y255-D373 WeakPolarHBondContact CE1-OD1 3.4Å; Y255-D373 VanDerWaalsContact CZ-OD1 3.3Å; Y255-D373 PolarHBondContact OH-OD1 2.81Å; Y255-G375 WeakPolarHBondContact OH-CA 3.06Å; Y255-G375 PolarHBondContact OH-N 3.14Å; Y255-G375 PolarHBondContact OH-O 2.86Å; Y255-G375 VanDerWaalsContact OH-O 3.06Å; Y255-L376 HydrophobicContact CE2-CD2 4.07Å; Y255-F473 HydrophobicContact CD2-CD1 4.22Å; Y255-F473 HydrophobicContact CD2-CD2 4.26Å; Y255-F473 HydrophobicContact CD2-CE1 4.13Å; Y255-F473 HydrophobicContact CD2-CE2 4.15Å; Y255-F473 HydrophobicContact CD2-CG 4.3Å; Y255-F473 HydrophobicContact CD2-CZ 4.1Å; Y255-F473 HydrophobicContact CE2-CB 4.22Å; Y255-F473 HydrophobicContact CE2-CD1 4.12Å; Y255-F473 AromaticContact CE2-CD2 3.81Å; Y255-F473 HydrophobicContact CE2-CD2 3.81Å; Y255-F473 HydrophobicContact CE2-CE1 4.45Å; Y255-F473 HydrophobicContact CE2-CE2 4.15Å; Y255-F473 AromaticContact CE2-CG 3.8Å; Y255-F473 HydrophobicContact CE2-CG 3.8Å; Y255-F473 HydrophobicContact CE2-CZ 4.46Å |
| 256 | I | 80.9 | Confident | 75.5 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | -178.4 | -67.1 | 165.7 | 0 | 0 | 0 | 111.4 | V237 A239 I252 S258 V259 M260 L283 I337 | V237-I256 HydrophobicContact CG1-CG2 3.61Å; A239-I256 HydrophobicContact CB-CD1 3.44Å; A239-I256 VanDerWaalsContact CB-CD1 3.44Å; I252-I256 HydrophobicContact CD1-CD1 4.21Å; I252-I256 HydrophobicContact CG1-CD1 3.61Å; I252-I256 HydrophobicContact CG1-CG1 4.27Å; I252-I256 VanDerWaalsContact O-CG1 3.28Å; I252-I256 WeakPolarHBondContact O-CG1 3.19Å; I252-I256 PolarHBondContact O-N 2.93Å; I256-S258 PolarHBondContact O-N 2.97Å; I256-V259 PolarHBondContact O-N 3.29Å; I256-M260 HydrophobicContact CG2-CG 4.37Å; I256-M260 WeakPolarHBondContact O-CG 3.31Å; I256-M260 PolarHBondContact O-N 2.81Å; I256-L283 HydrophobicContact CD1-CD1 4.06Å; I256-L283 HydrophobicContact CG2-CD1 4.02Å; I256-I337 HydrophobicContact CG2-CD1 4.21Å |
| 257 | L | 78.3 | Confident | 75.8 | Confident | 33 Ų | 33 | 39.7 Ų | 39.7 | 17% | 0.173 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -30.2 | 177.3 | -70 | 172.6 | 0 | 0 | 0 | 112.3 | E253 Y255 N261 | E253-L257 WeakPolarHBondContact O-CB 3.44Å; E253-L257 VanDerWaalsContact O-CG 3.27Å; E253-L257 WeakPolarHBondContact O-CG 3.43Å; E253-L257 PolarHBondContact O-N 3.05Å; Y255-L257 PolarHBondContact O-N 3.1Å; L257-N261 VanDerWaalsContact O-CB 3.28Å; L257-N261 WeakPolarHBondContact O-CB 3.28Å; L257-N261 PolarHBondContact O-N 3.18Å |
| 258 | S | 71.3 | Confident | 75.8 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75 | -39.2 | 175.8 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | H254 Y255 I256 N261 I262 Y465 | H254-S258 WeakPolarHBondContact O-CB 3.47Å; H254-S258 PolarHBondContact O-N 2.94Å; H254-S258 VanDerWaalsContact O-N 3.11Å; H254-S258 PolarHBondContact O-OG 3Å; Y255-S258 WeakPolarHBondContact O-CB 3.17Å; Y255-S258 PolarHBondContact O-N 3.23Å; I256-S258 PolarHBondContact O-N 2.97Å; S258-N261 PolarHBondContact O-N 3.26Å; S258-I262 PolarHBondContact O-N 2.87Å; S258-Y465 WeakPolarHBondContact OG-CE2 3.31Å; S258-Y465 PolarHBondContact OG-OH 3.45Å |
| 259 | V | 79 | Confident | 75.8 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.9 | -50.4 | 170.4 | 172.3 | 0 | 0 | 0 | 0 | 110.1 | Y255 I256 N261 I262 V263 L376 A379 I382 | Y255-V259 HydrophobicContact CD1-CG2 4.48Å; Y255-V259 HydrophobicContact CE1-CG2 3.97Å; Y255-V259 HydrophobicContact CE2-CG2 4.2Å; Y255-V259 PolarHBondContact O-N 3.12Å; I256-V259 PolarHBondContact O-N 3.29Å; V259-N261 VanDerWaalsContact C-N 3.29Å; V259-N261 PolarHBondContact O-N 2.84Å; V259-I262 WeakPolarHBondContact O-CB 3.4Å; V259-I262 PolarHBondContact O-N 2.72Å; V259-V263 PolarHBondContact O-N 3.39Å; V259-V263 VanDerWaalsContact O-N 3.11Å; V259-L376 HydrophobicContact CG2-CD2 4.11Å; V259-A379 HydrophobicContact CG1-CB 4.01Å; V259-A379 WeakPolarHBondContact O-CB 3.38Å; V259-I382 HydrophobicContact CG1-CD1 3.67Å |
| 260 | M | 81.4 | Confident | 76.1 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.1 | -27.4 | 179.2 | -66.7 | -57.1 | -61.2 | 0 | 0 | 113.6 | T235 V237 I256 I262 V263 A264 I278 V280 I382 | T235-M260 HydrophobicContact CG2-CE 3.97Å; V237-M260 HydrophobicContact CG2-CE 3.96Å; V237-M260 HydrophobicContact CG2-CG 4.01Å; V237-M260 HydrophobicContact CG2-SD 4Å; I256-M260 HydrophobicContact CG2-CG 4.37Å; I256-M260 WeakPolarHBondContact O-CG 3.31Å; I256-M260 PolarHBondContact O-N 2.81Å; M260-I262 VanDerWaalsContact C-N 3.33Å; M260-V263 HydrophobicContact CE-CG1 4.45Å; M260-V263 PolarHBondContact O-N 2.03Å; M260-V263 HydrophobicContact SD-CG2 4.22Å; M260-A264 WeakPolarHBondContact O-CB 3.35Å; M260-A264 PolarHBondContact O-N 3.47Å; M260-I278 HydrophobicContact CE-CG2 3.95Å; M260-V280 HydrophobicContact CB-CG2 3.89Å; M260-V280 HydrophobicContact CE-CG2 4.16Å; M260-V280 HydrophobicContact CG-CG2 4.03Å; M260-I382 HydrophobicContact SD-CD1 4.39Å; M260-I382 HydrophobicContact SD-CG2 4.17Å |
| 261 | N | 73.9 | Confident | 77 | Confident | 41 Ų | 41 | 36.3 Ų | 36.3 | 22% | 0.219 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66 | -33.6 | 171.5 | 179 | 70.9 | 0 | 0 | 0 | 112.3 | L257 S258 V259 K265 | L257-N261 VanDerWaalsContact O-CB 3.28Å; L257-N261 WeakPolarHBondContact O-CB 3.28Å; L257-N261 PolarHBondContact O-N 3.18Å; S258-N261 PolarHBondContact O-N 3.26Å; V259-N261 VanDerWaalsContact C-N 3.29Å; V259-N261 PolarHBondContact O-N 2.84Å; N261-K265 PolarHBondContact O-N 3.29Å; N261-K265 VanDerWaalsContact O-N 3.15Å |
| 262 | I | 73.6 | Confident | 77.8 | Confident | 22 Ų | 22 | 31.4 Ų | 31.4 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.6 | -45.1 | 172.3 | -61.2 | 163.9 | 0 | 0 | 0 | 110.2 | S258 V259 M260 A264 K265 L266 L376 A379 F380 P461 | S258-I262 PolarHBondContact O-N 2.87Å; V259-I262 WeakPolarHBondContact O-CB 3.4Å; V259-I262 PolarHBondContact O-N 2.72Å; M260-I262 VanDerWaalsContact C-N 3.33Å; I262-A264 VanDerWaalsContact C-N 3.31Å; I262-A264 PolarHBondContact O-N 3.04Å; I262-K265 WeakPolarHBondContact O-CA 3.44Å; I262-K265 WeakPolarHBondContact O-CB 3.39Å; I262-K265 PolarHBondContact O-N 3.19Å; I262-L266 HydrophobicContact CG2-CD1 4.21Å; I262-L266 WeakPolarHBondContact O-CG 3.29Å; I262-L266 PolarHBondContact O-N 2.87Å; I262-L376 HydrophobicContact CD1-CB 4.12Å; I262-A379 HydrophobicContact CB-CB 3.49Å; I262-A379 VanDerWaalsContact CB-CB 3.49Å; I262-A379 HydrophobicContact CD1-CB 4.22Å; I262-A379 HydrophobicContact CG1-CB 4.46Å; I262-A379 HydrophobicContact CG2-CB 3.44Å; I262-A379 VanDerWaalsContact CG2-CB 3.44Å; I262-F380 HydrophobicContact CG2-CE1 4.42Å; I262-P461 HydrophobicContact CD1-CB 4.16Å; I262-P461 HydrophobicContact CD1-CG 3.89Å; I262-P461 HydrophobicContact CG1-CB 4.43Å; I262-P461 HydrophobicContact CG1-CG 3.64Å |
| 263 | V | 82.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.4 | -47.6 | 174.2 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | V259 M260 K265 L266 Y267 I278 A379 I382 A383 I386 | V259-V263 PolarHBondContact O-N 3.39Å; V259-V263 VanDerWaalsContact O-N 3.11Å; M260-V263 HydrophobicContact CE-CG1 4.45Å; M260-V263 PolarHBondContact O-N 2.03Å; M260-V263 HydrophobicContact SD-CG2 4.22Å; V263-K265 VanDerWaalsContact C-N 3.27Å; V263-K265 PolarHBondContact O-N 2.65Å; V263-L266 PolarHBondContact O-N 2.85Å; V263-Y267 HydrophobicContact CG1-CD2 4.13Å; V263-Y267 HydrophobicContact CG1-CE2 4.35Å; V263-Y267 PolarHBondContact O-N 3.08Å; V263-Y267 VanDerWaalsContact O-N 3.15Å; V263-I278 HydrophobicContact CG1-CG1 4.33Å; V263-I278 HydrophobicContact CG1-CG2 4.42Å; V263-A379 HydrophobicContact CG2-CB 3.99Å; V263-A379 WeakPolarHBondContact CG2-O 3.06Å; V263-I382 HydrophobicContact CG1-CG2 4.11Å; V263-I382 HydrophobicContact CG2-CB 3.84Å; V263-I382 HydrophobicContact CG2-CG2 3.72Å; V263-A383 HydrophobicContact CG1-CB 4.34Å; V263-I386 HydrophobicContact CG1-CD1 4.12Å |
| 264 | A | 80.6 | Confident | 78.1 | Confident | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.2 | -25.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | M260 I262 R268 I278 Y456 | M260-A264 WeakPolarHBondContact O-CB 3.35Å; M260-A264 PolarHBondContact O-N 3.47Å; I262-A264 VanDerWaalsContact C-N 3.31Å; I262-A264 PolarHBondContact O-N 3.04Å; A264-R268 WeakPolarHBondContact O-CD 3.37Å; A264-R268 WeakPolarHBondContact O-CG 3.41Å; A264-I278 HydrophobicContact CB-CB 4.1Å; A264-Y456 HydrophobicContact CB-CE1 4.18Å |
| 265 | K | 73.9 | Confident | 78.6 | Confident | 111 Ų | 111 | 26.8 Ų | 26.8 | 48% | 0.483 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -74 | -44.3 | 170.4 | -177.3 | 175.5 | 175.1 | 177.4 | 0 | 111.6 | N261 I262 V263 Y267 R268 D269 E509 | N261-K265 PolarHBondContact O-N 3.29Å; N261-K265 VanDerWaalsContact O-N 3.15Å; I262-K265 WeakPolarHBondContact O-CA 3.44Å; I262-K265 WeakPolarHBondContact O-CB 3.39Å; I262-K265 PolarHBondContact O-N 3.19Å; V263-K265 VanDerWaalsContact C-N 3.27Å; V263-K265 PolarHBondContact O-N 2.65Å; K265-Y267 VanDerWaalsContact C-N 3.31Å; K265-Y267 PolarHBondContact O-N 3Å; K265-R268 PolarHBondContact O-N 2.01Å; K265-D269 PolarHBondContact O-N 3.34Å; K265-E509 IonicContact NZ-OE1 2.72Å; K265-E509 IonicContact NZ-OE2 3.75Å; K265-E509 PolarHBondContact NZ-OE2 3.34Å |
| 266 | L | 79.2 | Confident | 79.1 | Confident | 14 Ų | 14 | 26.5 Ų | 26.5 | 7% | 0.073 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.1 | -39.9 | -179.4 | -68.5 | 167.4 | 0 | 0 | 0 | 112.1 | I262 V263 R268 D269 F380 A383 L411 F423 W425 | I262-L266 HydrophobicContact CG2-CD1 4.21Å; I262-L266 WeakPolarHBondContact O-CG 3.29Å; I262-L266 PolarHBondContact O-N 2.87Å; V263-L266 PolarHBondContact O-N 2.85Å; L266-R268 PolarHBondContact O-N 3.02Å; L266-D269 PolarHBondContact O-N 3.36Å; L266-F380 HydrophobicContact CD1-CD1 3.64Å; L266-F380 HydrophobicContact CD1-CE1 3.97Å; L266-F380 HydrophobicContact CD2-CD1 4.35Å; L266-F380 HydrophobicContact CD2-CE1 4.2Å; L266-A383 HydrophobicContact CB-CB 4.28Å; L266-A383 HydrophobicContact CD1-CB 3.68Å; L266-L411 HydrophobicContact CB-CD2 4.38Å; L266-L411 HydrophobicContact CD1-CD2 4.33Å; L266-L411 HydrophobicContact CD2-CD2 4.49Å; L266-F423 HydrophobicContact CD2-CB 3.87Å; L266-W425 PolarHBondContact O-NE1 3.29Å |
| 267 | Y | 84.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -9.8 | 175.2 | -88.9 | -77.7 | 0 | 0 | 0 | 115.5 | V263 K265 L272 V276 I278 A383 I386 G387 F390 W425 | V263-Y267 HydrophobicContact CG1-CD2 4.13Å; V263-Y267 HydrophobicContact CG1-CE2 4.35Å; V263-Y267 PolarHBondContact O-N 3.08Å; V263-Y267 VanDerWaalsContact O-N 3.15Å; K265-Y267 VanDerWaalsContact C-N 3.31Å; K265-Y267 PolarHBondContact O-N 3Å; Y267-L272 HydrophobicContact CD1-CD2 3.75Å; Y267-L272 HydrophobicContact CE1-CD2 4.35Å; Y267-L272 VanDerWaalsContact O-CD2 3.3Å; Y267-L272 WeakPolarHBondContact O-CD2 3.11Å; Y267-V276 CarbonylContact C-O 3.57Å; Y267-V276 HydrophobicContact CD1-CB 3.94Å; Y267-V276 HydrophobicContact CD1-CG1 3.74Å; Y267-V276 HydrophobicContact CG-CG1 4.3Å; Y267-I278 HydrophobicContact CD1-CD1 4.26Å; Y267-I278 HydrophobicContact CD2-CD1 3.76Å; Y267-I278 HydrophobicContact CD2-CG1 3.61Å; Y267-I278 HydrophobicContact CE2-CD1 4.26Å; Y267-I278 HydrophobicContact CE2-CG1 4.46Å; Y267-I278 HydrophobicContact CG-CD1 3.76Å; Y267-I278 HydrophobicContact CG-CG1 3.73Å; Y267-A383 HydrophobicContact CE2-CB 4.11Å; Y267-A383 PolarHBondContact OH-O 3.47Å; Y267-I386 HydrophobicContact CE1-CG2 4.43Å; Y267-I386 HydrophobicContact CE2-CB 4.04Å; Y267-I386 HydrophobicContact CE2-CG2 3.94Å; Y267-I386 WeakPolarHBondContact OH-CB 3.44Å; Y267-I386 VanDerWaalsContact OH-CG2 3.3Å; Y267-I386 WeakPolarHBondContact OH-CG2 3.45Å; Y267-G387 WeakPolarHBondContact OH-CA 3.45Å; Y267-G387 PolarHBondContact OH-N 3.03Å; Y267-F390 HydrophobicContact CD1-CE2 4.32Å; Y267-F390 AromaticContact CE1-CD2 3.79Å; Y267-F390 HydrophobicContact CE1-CD2 3.79Å; Y267-F390 AromaticContact CE1-CE2 3.61Å; Y267-F390 HydrophobicContact CE1-CE2 3.61Å; Y267-W425 HydrophobicContact CD1-CZ2 4.15Å; Y267-W425 HydrophobicContact CD2-CZ2 4.32Å; Y267-W425 AromaticContact CE1-CH2 3.89Å; Y267-W425 HydrophobicContact CE1-CH2 3.89Å; Y267-W425 AromaticContact CE1-CZ2 3.89Å; Y267-W425 HydrophobicContact CE1-CZ2 3.89Å; Y267-W425 HydrophobicContact CE2-CH2 4.05Å; Y267-W425 HydrophobicContact CE2-CZ2 4.09Å; Y267-W425 HydrophobicContact CG-CZ2 4.35Å; Y267-W425 AromaticContact CZ-CH2 3.56Å; Y267-W425 AromaticContact CZ-CZ2 3.84Å; Y267-W425 WeakPolarHBondContact OH-CH2 3.24Å |
| 268 | R | 77.9 | Confident | 79.5 | Confident | 122 Ų | 122 | 25.5 Ų | 25.5 | 46% | 0.46 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -1 | 174.4 | -73.7 | 175.7 | 153.5 | -147.2 | -4.5 | 113.2 | A264 K265 L266 V276 N277 Y456 | A264-R268 WeakPolarHBondContact O-CD 3.37Å; A264-R268 WeakPolarHBondContact O-CG 3.41Å; K265-R268 PolarHBondContact O-N 2.01Å; L266-R268 PolarHBondContact O-N 3.02Å; R268-V276 WeakPolarHBondContact CG-O 3.49Å; R268-N277 VanDerWaalsContact CZ-OD1 3.25Å; R268-N277 PolarHBondContact NE-OD1 2.7Å; R268-N277 PolarHBondContact NH2-OD1 3.01Å; R268-Y456 PolarHBondContact NE-OH 2.67Å |
| 269 | D | 75.4 | Confident | 79.9 | Confident | 39 Ų | 39 | 26.4 Ų | 26.4 | 21% | 0.209 | 13% | 0.125 | C | C | . | . | trans | -70.2 | 136.5 | 177.3 | -172.2 | -94.6 | 0 | 0 | 0 | 111.7 | K265 L266 S271 L272 | K265-D269 PolarHBondContact O-N 3.34Å; L266-D269 PolarHBondContact O-N 3.36Å; D269-S271 PolarHBondContact O-N 2.96Å; D269-S271 VanDerWaalsContact O-N 3.13Å; D269-S271 VanDerWaalsContact OD1-CB 3.22Å; D269-S271 WeakPolarHBondContact OD1-CB 2.93Å; D269-S271 PolarHBondContact OD1-N 2.97Å; D269-S271 PolarHBondContact OD1-OG 3.33Å; D269-L272 WeakPolarHBondContact O-CB 3.22Å; D269-L272 PolarHBondContact O-N 3.45Å; D269-L272 VanDerWaalsContact O-N 3.09Å | ||
| 270 | F | 72.9 | Confident | 80 | Confident | 82 Ų | 82 | 27.7 Ų | 27.7 | 36% | 0.36 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -62.1 | -22.7 | -174.6 | 69.2 | -81.5 | 0 | 0 | 0 | 113.8 | L272 G273 P571 | F270-L272 PolarHBondContact O-N 3.1Å; F270-G273 PolarHBondContact O-N 2.98Å; F270-G273 VanDerWaalsContact O-N 3.07Å; F270-P571 HydrophobicContact CB-CB 3.72Å; F270-P571 HydrophobicContact CB-CG 4.09Å; F270-P571 HydrophobicContact CD2-CB 4.44Å; F270-P571 HydrophobicContact CG-CB 4.13Å |
| 271 | S | 78.8 | Confident | 79.7 | Confident | 21 Ų | 21 | 27.6 Ų | 27.6 | 15% | 0.147 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -64.1 | -22.5 | 176 | 61.8 | 0 | 0 | 0 | 0 | 113.3 | D269 G273 S424 W425 | D269-S271 PolarHBondContact O-N 2.96Å; D269-S271 VanDerWaalsContact O-N 3.13Å; D269-S271 VanDerWaalsContact OD1-CB 3.22Å; D269-S271 WeakPolarHBondContact OD1-CB 2.93Å; D269-S271 PolarHBondContact OD1-N 2.97Å; D269-S271 PolarHBondContact OD1-OG 3.33Å; S271-G273 PolarHBondContact O-N 3.12Å; S271-S424 WeakPolarHBondContact OG-CB 3.39Å; S271-W425 PolarHBondContact OG-N 3.34Å |
| 272 | L | 85.9 | Confident | 80 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -65.8 | -22.1 | 173 | -170.3 | 63.2 | 0 | 0 | 0 | 113 | Y267 D269 F270 N274 V276 M392 W425 I433 | Y267-L272 HydrophobicContact CD1-CD2 3.75Å; Y267-L272 HydrophobicContact CE1-CD2 4.35Å; Y267-L272 VanDerWaalsContact O-CD2 3.3Å; Y267-L272 WeakPolarHBondContact O-CD2 3.11Å; D269-L272 WeakPolarHBondContact O-CB 3.22Å; D269-L272 PolarHBondContact O-N 3.45Å; D269-L272 VanDerWaalsContact O-N 3.09Å; F270-L272 PolarHBondContact O-N 3.1Å; L272-N274 HydrophobicContact CG-CB 4.47Å; L272-N274 PolarHBondContact O-N 3.3Å; L272-N274 VanDerWaalsContact O-N 3.12Å; L272-N274 PolarHBondContact O-ND2 3.27Å; L272-V276 HydrophobicContact CD2-CB 4.14Å; L272-V276 HydrophobicContact CD2-CG2 3.84Å; L272-M392 HydrophobicContact CD1-CE 3.61Å; L272-W425 HydrophobicContact CB-CG 4.13Å; L272-W425 HydrophobicContact CD1-CD2 3.7Å; L272-W425 HydrophobicContact CD1-CE3 4.16Å; L272-W425 HydrophobicContact CD1-CG 3.92Å; L272-W425 HydrophobicContact CD1-CZ2 4.2Å; L272-I433 HydrophobicContact CD1-CD1 4.07Å; L272-I433 HydrophobicContact CD1-CG2 3.79Å; L272-I433 HydrophobicContact CD2-CD1 4.35Å; L272-I433 HydrophobicContact CG-CD1 4.43Å; L272-I433 HydrophobicContact CG-CG2 4.31Å |
| 273 | G | 78.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 63.6 | 13.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F270 S271 Y577 | F270-G273 PolarHBondContact O-N 2.98Å; F270-G273 VanDerWaalsContact O-N 3.07Å; S271-G273 PolarHBondContact O-N 3.12Å; G273-Y577 WeakPolarHBondContact O-CE1 3.48Å |
| 274 | N | 84 | Confident | 80.9 | Confident | 9 Ų | 9 | 25.8 Ų | 25.8 | 5% | 0.048 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -146.2 | 145.5 | -177 | -67.6 | -91.7 | 0 | 0 | 0 | 108.5 | L272 V276 T434 L437 R582 | L272-N274 HydrophobicContact CG-CB 4.47Å; L272-N274 PolarHBondContact O-N 3.3Å; L272-N274 VanDerWaalsContact O-N 3.12Å; L272-N274 PolarHBondContact O-ND2 3.27Å; N274-V276 HydrophobicContact CB-CG2 4.32Å; N274-V276 PolarHBondContact O-N 2.68Å; N274-T434 PolarHBondContact ND2-OG1 3.4Å; N274-L437 HydrophobicContact CB-CD1 4.08Å; N274-R582 PolarHBondContact OD1-NH1 2.95Å; N274-R582 PolarHBondContact OD1-NH2 3.13Å |
| 275 | V | 81.8 | Confident | 81.3 | Confident | 24 Ų | 24 | 25.5 Ų | 25.5 | 15% | 0.145 | 12% | 0.12 | C | C | . | . | trans | -92.8 | 99 | 179.8 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | E230 R231 L579 | E230-V275 HydrophobicContact CB-CG1 4.32Å; E230-V275 HydrophobicContact CG-CB 4.43Å; E230-V275 HydrophobicContact CG-CG1 3.91Å; R231-V275 PolarHBondContact N-O 2.04Å; V275-L579 HydrophobicContact CB-CD2 4.36Å; V275-L579 HydrophobicContact CG2-CD2 3.87Å | ||
| 276 | V | 87.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.2 | -177.9 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | R231 V233 Y267 R268 L272 N274 I278 F390 I433 | R231-V276 HydrophobicContact CB-CG2 4.47Å; V233-V276 HydrophobicContact CG2-CG1 3.75Å; Y267-V276 CarbonylContact C-O 3.57Å; Y267-V276 HydrophobicContact CD1-CB 3.94Å; Y267-V276 HydrophobicContact CD1-CG1 3.74Å; Y267-V276 HydrophobicContact CG-CG1 4.3Å; R268-V276 WeakPolarHBondContact CG-O 3.49Å; L272-V276 HydrophobicContact CD2-CB 4.14Å; L272-V276 HydrophobicContact CD2-CG2 3.84Å; N274-V276 HydrophobicContact CB-CG2 4.32Å; N274-V276 PolarHBondContact O-N 2.68Å; V276-I278 HydrophobicContact CG1-CD1 4.13Å; V276-F390 HydrophobicContact CG1-CE2 4.33Å; V276-F390 HydrophobicContact CG1-CZ 4.06Å; V276-I433 HydrophobicContact CG2-CD1 4.1Å |
| 277 | N | 82.4 | Confident | 82.5 | Confident | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.027 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 104 | -178.6 | -66.2 | -67.4 | 0 | 0 | 0 | 110.3 | R231 F232 V233 R268 | R231-N277 WeakPolarHBondContact O-CB 3.42Å; R231-N277 PolarHBondContact O-N 2.03Å; R231-N277 PolarHBondContact O-ND2 3.3Å; F232-N277 WeakPolarHBondContact CA-O 3.46Å; F232-N277 HydrophobicContact CD1-CB 3.75Å; F232-N277 HydrophobicContact CE1-CB 4.18Å; V233-N277 PolarHBondContact N-O 3.01Å; R268-N277 VanDerWaalsContact CZ-OD1 3.25Å; R268-N277 PolarHBondContact NE-OD1 2.7Å; R268-N277 PolarHBondContact NH2-OD1 3.01Å |
| 278 | I | 84.4 | Confident | 82.6 | Confident | 8 Ų | 8 | 25.9 Ų | 25.9 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 125.7 | 171.6 | -50.6 | -56.1 | 0 | 0 | 0 | 109 | V233 M260 V263 A264 Y267 V276 | V233-I278 HydrophobicContact CB-CD1 3.76Å; V233-I278 HydrophobicContact CG1-CD1 4.28Å; V233-I278 HydrophobicContact CG2-CD1 3.72Å; M260-I278 HydrophobicContact CE-CG2 3.95Å; V263-I278 HydrophobicContact CG1-CG1 4.33Å; V263-I278 HydrophobicContact CG1-CG2 4.42Å; A264-I278 HydrophobicContact CB-CB 4.1Å; Y267-I278 HydrophobicContact CD1-CD1 4.26Å; Y267-I278 HydrophobicContact CD2-CD1 3.76Å; Y267-I278 HydrophobicContact CD2-CG1 3.61Å; Y267-I278 HydrophobicContact CE2-CD1 4.26Å; Y267-I278 HydrophobicContact CE2-CG1 4.46Å; Y267-I278 HydrophobicContact CG-CD1 3.76Å; Y267-I278 HydrophobicContact CG-CG1 3.73Å; V276-I278 HydrophobicContact CG1-CD1 4.13Å |
| 279 | I | 79.9 | Confident | 83 | Confident | 45 Ų | 45 | 24.3 Ų | 24.3 | 23% | 0.231 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 115.8 | -175.5 | -65.8 | 176.4 | 0 | 0 | 0 | 109.1 | F232 V233 T235 T281 P449 | F232-I279 HydrophobicContact CB-CD1 4.47Å; F232-I279 HydrophobicContact CD1-CD1 3.83Å; V233-I279 PolarHBondContact O-N 3.07Å; T235-I279 PolarHBondContact N-O 2.69Å; I279-T281 HydrophobicContact CG2-CG2 4.47Å; I279-T281 PolarHBondContact O-N 3.05Å; I279-P449 HydrophobicContact CD1-CG 3.57Å |
| 280 | V | 81.9 | Confident | 83.5 | Confident | 27 Ų | 27 | 23.1 Ų | 23.1 | 16% | 0.164 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 110.8 | 175 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | F80 T235 V237 M260 | F80-V280 HydrophobicContact CE2-CG1 4.09Å; T235-V280 WeakPolarHBondContact O-CA 3.46Å; V237-V280 HydrophobicContact CG2-CG1 4.04Å; V237-V280 HydrophobicContact CG2-CG2 4.06Å; M260-V280 HydrophobicContact CB-CG2 3.89Å; M260-V280 HydrophobicContact CE-CG2 4.16Å; M260-V280 HydrophobicContact CG-CG2 4.03Å |
| 281 | T | 75.6 | Confident | 83.9 | Confident | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -35.3 | 178.6 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | E234 T235 I279 H330 | E234-T281 HydrophobicContact CB-CG2 3.62Å; E234-T281 HydrophobicContact CG-CG2 3.82Å; T235-T281 PolarHBondContact O-N 3.18Å; I279-T281 HydrophobicContact CG2-CG2 4.47Å; I279-T281 PolarHBondContact O-N 3.05Å; T281-H330 PolarHBondContact OG1-O 2.75Å; T281-H330 VanDerWaalsContact OG1-O 3.08Å |
| 282 | R | 79.4 | Confident | 84.1 | Confident | 23 Ų | 23 | 28.9 Ų | 28.9 | 9% | 0.087 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 142.6 | -173.5 | -173.9 | 171.9 | -174.2 | -159.2 | 1 | 111 | E83 L236 V237 I284 | E83-R282 VanDerWaalsContact CD-NH2 3.33Å; E83-R282 IonicContact OE1-CZ 3.73Å; E83-R282 IonicContact OE1-NE 2.83Å; E83-R282 PolarHBondContact OE1-NE 2.86Å; E83-R282 IonicContact OE1-NH2 3.75Å; E83-R282 PolarHBondContact OE1-NH2 2.86Å; E83-R282 VanDerWaalsContact OE1-NH2 3.16Å; E83-R282 IonicContact OE2-CZ 3.29Å; E83-R282 IonicContact OE2-NE 2.76Å; E83-R282 IonicContact OE2-NH2 3.22Å; E83-R282 PolarHBondContact OE2-NH2 3.38Å; L236-R282 HydrophobicContact CD1-CB 3.94Å; L236-R282 HydrophobicContact CD1-CG 3.96Å; V237-R282 PolarHBondContact N-O 2.69Å; R282-I284 HydrophobicContact CG-CG1 4.28Å |
| 283 | L | 86.1 | Confident | 84.2 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 116.1 | 174.5 | 175.5 | 58.5 | 0 | 0 | 0 | 110 | F80 T81 V82 E83 V237 E253 I256 V285 | F80-L283 HydrophobicContact CE2-CB 3.99Å; F80-L283 HydrophobicContact CZ-CB 3.95Å; T81-L283 PolarHBondContact O-N 2.84Å; V82-L283 WeakPolarHBondContact CA-O 3.41Å; V82-L283 HydrophobicContact CG1-CD2 4.33Å; V82-L283 HydrophobicContact CG1-CG 4.39Å; V82-L283 HydrophobicContact CG2-CD2 4.49Å; E83-L283 PolarHBondContact N-O 3.19Å; V237-L283 HydrophobicContact CB-CD1 4.16Å; V237-L283 HydrophobicContact CG1-CD1 4.21Å; V237-L283 WeakPolarHBondContact O-CA 3.4Å; E253-L283 HydrophobicContact CG-CD2 4.27Å; I256-L283 HydrophobicContact CD1-CD1 4.06Å; I256-L283 HydrophobicContact CG2-CD1 4.02Å; L283-V285 HydrophobicContact CD1-CG2 4.34Å; L283-V285 HydrophobicContact CD2-CG2 4.48Å; L283-V285 HydrophobicContact CG-CG2 4.09Å |
| 284 | I | 88.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.8 | 175 | -60.3 | 177.7 | 0 | 0 | 0 | 109.3 | E83 W85 L236 V237 V238 A239 R282 L286 W309 I313 | E83-I284 WeakPolarHBondContact O-CA 3.5Å; W85-I284 HydrophobicContact CD2-CG2 4.18Å; W85-I284 HydrophobicContact CG-CG2 3.94Å; W85-I284 HydrophobicContact CZ2-CD1 4.12Å; L236-I284 HydrophobicContact CD1-CD1 3.89Å; L236-I284 HydrophobicContact CD1-CG1 4.01Å; V237-I284 PolarHBondContact O-N 2.89Å; V238-I284 CarbonylContact C-O 3.49Å; V238-I284 VanDerWaalsContact CA-O 3.31Å; V238-I284 WeakPolarHBondContact CA-O 3.47Å; V238-I284 HydrophobicContact CG1-CB 4.34Å; V238-I284 HydrophobicContact CG1-CG2 4.37Å; V238-I284 HydrophobicContact CG2-CB 4.27Å; A239-I284 PolarHBondContact N-O 2.59Å; R282-I284 HydrophobicContact CG-CG1 4.28Å; I284-L286 HydrophobicContact CG2-CD2 3.63Å; I284-W309 HydrophobicContact CD1-CH2 4.04Å; I284-W309 HydrophobicContact CG2-CH2 4.38Å; I284-I313 HydrophobicContact CD1-CD1 3.81Å |
| 285 | V | 89.4 | Confident | 85 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 104.4 | 179.6 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | V82 E83 Y84 W85 V244 I252 L283 T287 | V82-V285 HydrophobicContact CG1-CG2 4.45Å; E83-V285 PolarHBondContact O-N 3.38Å; Y84-V285 VanDerWaalsContact CA-O 3.29Å; Y84-V285 WeakPolarHBondContact CA-O 3.39Å; Y84-V285 HydrophobicContact CD1-CB 3.77Å; Y84-V285 HydrophobicContact CD1-CG1 3.73Å; Y84-V285 HydrophobicContact CE1-CB 3.7Å; Y84-V285 HydrophobicContact CE1-CG1 3.42Å; Y84-V285 VanDerWaalsContact CE1-CG1 3.42Å; Y84-V285 HydrophobicContact CE1-CG2 4.27Å; Y84-V285 HydrophobicContact CG-CB 4.28Å; W85-V285 PolarHBondContact N-O 2.88Å; V244-V285 HydrophobicContact CG2-CG1 3.31Å; I252-V285 HydrophobicContact CD1-CG1 4.08Å; L283-V285 HydrophobicContact CD1-CG2 4.34Å; L283-V285 HydrophobicContact CD2-CG2 4.48Å; L283-V285 HydrophobicContact CG-CG2 4.09Å; V285-T287 PolarHBondContact O-N 2.98Å |
| 286 | L | 90.8 | Very high | 85.3 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 119.7 | -179.3 | -49.9 | -178.4 | 0 | 0 | 0 | 109 | W85 V238 A239 D240 K241 V244 I284 Q290 L293 I295 | W85-L286 HydrophobicContact CB-CD2 3.83Å; W85-L286 HydrophobicContact CG-CD2 4.34Å; V238-L286 HydrophobicContact CG1-CD1 4.09Å; V238-L286 HydrophobicContact CG1-CD2 4.48Å; V238-L286 HydrophobicContact CG1-CG 4.09Å; A239-L286 PolarHBondContact O-N 3.25Å; D240-L286 CarbonylContact C-O 3.54Å; K241-L286 VanDerWaalsContact CA-O 3.24Å; K241-L286 WeakPolarHBondContact CA-O 3.43Å; K241-L286 PolarHBondContact N-O 2.99Å; V244-L286 WeakPolarHBondContact CG2-O 3.3Å; I284-L286 HydrophobicContact CG2-CD2 3.63Å; L286-Q290 HydrophobicContact CD1-CG 4.1Å; L286-Q290 HydrophobicContact CD2-CG 3.65Å; L286-Q290 HydrophobicContact CG-CG 4.38Å; L286-L293 HydrophobicContact CD1-CD2 3.63Å; L286-I295 HydrophobicContact CD1-CD1 4.35Å |
| 287 | T | 87.3 | Confident | 85.1 | Confident | 32 Ų | 32 | 38.8 Ų | 38.8 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -94 | -23.1 | 173.6 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | Y84 W85 V244 V285 | Y84-T287 HydrophobicContact CD1-CG2 3.9Å; W85-T287 PolarHBondContact O-N 3.19Å; W85-T287 PolarHBondContact O-OG1 2.81Å; V244-T287 HydrophobicContact CG1-CG2 4.31Å; V244-T287 HydrophobicContact CG2-CG2 4.46Å; V285-T287 PolarHBondContact O-N 2.98Å |
| 288 | E | 86.6 | Confident | 85.1 | Confident | 96 Ų | 96 | 41 Ų | 41 | 45% | 0.449 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -136.6 | 166.9 | 170.6 | -70.7 | -166.9 | -150.5 | 0 | 0 | 110.9 | K87 Q290 | K87-E288 HydrophobicContact CB-CB 4.37Å; E288-Q290 PolarHBondContact O-NE2 2.63Å |
| 289 | D | 86.4 | Confident | 85.1 | Confident | 89 Ų | 89 | 40.6 Ų | 40.6 | 48% | 0.476 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 139.8 | 176.7 | -64.7 | -57.2 | 0 | 0 | 0 | 112 | K241 | K241-D289 WeakPolarHBondContact CD-OD1 3.23Å; K241-D289 IonicContact NZ-OD1 2.7Å; K241-D289 PolarHBondContact NZ-OD1 2.72Å; K241-D289 IonicContact NZ-OD2 3.66Å; K241-D289 PolarHBondContact NZ-OD2 2.94Å |
| 290 | Q | 86.7 | Confident | 85.2 | Confident | 13 Ų | 13 | 43 Ų | 43 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -101.5 | 144.8 | -176.9 | -60.5 | -57.1 | -57.2 | 0 | 0 | 111.8 | W85 G86 L286 E288 N292 L293 | W85-Q290 PolarHBondContact O-NE2 3.36Å; G86-Q290 PolarHBondContact O-NE2 2.05Å; G86-Q290 PolarHBondContact O-OE1 3.16Å; L286-Q290 HydrophobicContact CD1-CG 4.1Å; L286-Q290 HydrophobicContact CD2-CG 3.65Å; L286-Q290 HydrophobicContact CG-CG 4.38Å; E288-Q290 PolarHBondContact O-NE2 2.63Å; Q290-N292 PolarHBondContact O-N 3.47Å; Q290-L293 HydrophobicContact CB-CB 4.06Å; Q290-L293 HydrophobicContact CB-CD2 4.34Å; Q290-L293 PolarHBondContact O-N 3.34Å |
| 291 | P | 79.8 | Confident | 85.4 | Confident | 80 Ų | 80 | 46.6 Ų | 46.6 | 52% | 0.519 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 134.2 | 172.2 | 26.1 | -33.7 | 0 | 0 | 0 | 110.6 | L293 | P291-L293 VanDerWaalsContact C-N 3.27Å; P291-L293 PolarHBondContact O-N 2.88Å |
| 292 | N | 83.4 | Confident | 86.1 | Confident | 145 Ų | 145 | 46.4 Ų | 46.4 | 78% | 0.775 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 16.9 | -178.4 | -44.5 | -56.1 | 0 | 0 | 0 | 116 | Q290 S305 | Q290-N292 PolarHBondContact O-N 3.47Å; N292-S305 PolarHBondContact O-OG 3.47Å |
| 293 | L | 89 | Confident | 86.6 | Confident | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | trans | -121.3 | 106.2 | 170 | -180 | 56.9 | 0 | 0 | 0 | 110.2 | L286 Q290 P291 I295 S305 F306 W309 | L286-L293 HydrophobicContact CD1-CD2 3.63Å; Q290-L293 HydrophobicContact CB-CB 4.06Å; Q290-L293 HydrophobicContact CB-CD2 4.34Å; Q290-L293 PolarHBondContact O-N 3.34Å; P291-L293 VanDerWaalsContact C-N 3.27Å; P291-L293 PolarHBondContact O-N 2.88Å; L293-I295 HydrophobicContact CD1-CD1 4.44Å; L293-I295 HydrophobicContact CD1-CG1 4.07Å; L293-I295 HydrophobicContact CD2-CD1 4.06Å; L293-I295 HydrophobicContact CD2-CG1 4.49Å; L293-I295 HydrophobicContact CG-CD1 4.11Å; L293-I295 HydrophobicContact CG-CG1 3.99Å; L293-S305 WeakPolarHBondContact CA-OG 3.37Å; L293-F306 HydrophobicContact CD1-CB 4.18Å; L293-F306 HydrophobicContact CD1-CD2 4.22Å; L293-W309 HydrophobicContact CB-CB 4.32Å; L293-W309 HydrophobicContact CB-CD2 4.43Å; L293-W309 HydrophobicContact CB-CG 3.89Å; L293-W309 HydrophobicContact CD1-CB 4.01Å; L293-W309 HydrophobicContact CD1-CD2 4.46Å; L293-W309 HydrophobicContact CD1-CG 4.15Å; L293-W309 HydrophobicContact CD2-CD2 3.87Å; L293-W309 HydrophobicContact CD2-CE3 4.2Å; L293-W309 HydrophobicContact CD2-CG 4.17Å; L293-W309 HydrophobicContact CD2-CZ2 4.37Å; L293-W309 HydrophobicContact CG-CD2 4.49Å; L293-W309 HydrophobicContact CG-CG 4.29Å | ||
| 294 | E | 90.3 | Very high | 86.8 | Confident | 107 Ų | 107 | 50 Ų | 50 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | trans | -98.8 | 111.3 | 174.2 | -166.1 | -175.4 | 167.5 | 0 | 0 | 109.3 | N296 S305 | E294-N296 VanDerWaalsContact CD-ND2 3.34Å; E294-N296 PolarHBondContact OE1-ND2 3.21Å; E294-S305 PolarHBondContact N-OG 3.16Å | ||
| 295 | I | 89.3 | Confident | 87 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 11% | 0.108 | 26% | 0.263 | C | S | . | . | trans | -112.2 | 122.1 | 172.1 | -54.3 | 169.9 | 0 | 0 | 0 | 107.4 | D240 L286 L293 L336 Y340 | D240-I295 HydrophobicContact CB-CD1 3.88Å; L286-I295 HydrophobicContact CD1-CD1 4.35Å; L293-I295 HydrophobicContact CD1-CD1 4.44Å; L293-I295 HydrophobicContact CD1-CG1 4.07Å; L293-I295 HydrophobicContact CD2-CD1 4.06Å; L293-I295 HydrophobicContact CD2-CG1 4.49Å; L293-I295 HydrophobicContact CG-CD1 4.11Å; L293-I295 HydrophobicContact CG-CG1 3.99Å; I295-L336 HydrophobicContact CD1-CD1 3.98Å; I295-L336 HydrophobicContact CD1-CD2 3.85Å; I295-L336 HydrophobicContact CG1-CD2 3.97Å; I295-L336 HydrophobicContact CG2-CD2 4.32Å; I295-Y340 HydrophobicContact CG2-CD2 3.72Å; I295-Y340 HydrophobicContact CG2-CE2 4.14Å | ||
| 296 | N | 86.4 | Confident | 87.2 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -153.8 | -176.3 | -176.1 | 64.9 | 36.3 | 0 | 0 | 0 | 111.1 | E294 H298 S302 | E294-N296 VanDerWaalsContact CD-ND2 3.34Å; E294-N296 PolarHBondContact OE1-ND2 3.21Å; N296-H298 PolarHBondContact O-N 2.97Å; N296-H298 VanDerWaalsContact O-N 3.16Å; N296-H298 WeakPolarHBondContact OD1-CA 3.31Å; N296-H298 WeakPolarHBondContact OD1-CB 3.38Å; N296-H298 PolarHBondContact OD1-N 2.91Å; N296-H298 PolarHBondContact OD1-O 2.85Å; N296-S302 PolarHBondContact N-OG 2.68Å; N296-S302 PolarHBondContact O-OG 2.91Å; N296-S302 VanDerWaalsContact O-OG 3.05Å; N296-S302 PolarHBondContact OD1-OG 2.78Å |
| 297 | H | 83 | Confident | 87.1 | Confident | 75 Ų | 75 | 51 Ų | 51 | 35% | 0.347 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -69.5 | -2.8 | 178.8 | -64 | -80.7 | 0 | 0 | 0 | 115 | Y340 D341 C343 | H297-Y340 AromaticContact CE1-CD1 3.89Å; H297-Y340 AromaticContact NE2-CD1 3.72Å; H297-D341 PolarHBondContact ND1-O 3.3Å; H297-C343 WeakPolarHBondContact O-CA 3.38Å; H297-C343 VanDerWaalsContact O-CB 3.29Å; H297-C343 WeakPolarHBondContact O-CB 3.37Å; H297-C343 PolarHBondContact O-N 3Å |
| 298 | H | 83.9 | Confident | 87.2 | Confident | 52 Ų | 52 | 54.8 Ų | 54.8 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -95.2 | 107.1 | 174.7 | -58.6 | -60.1 | 0 | 0 | 0 | 109.7 | N296 D300 K301 S302 N347 | N296-H298 PolarHBondContact O-N 2.97Å; N296-H298 VanDerWaalsContact O-N 3.16Å; N296-H298 WeakPolarHBondContact OD1-CA 3.31Å; N296-H298 WeakPolarHBondContact OD1-CB 3.38Å; N296-H298 PolarHBondContact OD1-N 2.91Å; N296-H298 PolarHBondContact OD1-O 2.85Å; H298-D300 VanDerWaalsContact C-N 3.34Å; H298-D300 WeakPolarHBondContact CB-OD1 3.31Å; H298-D300 PolarHBondContact O-N 3.46Å; H298-K301 HydrophobicContact CB-CB 4.14Å; H298-K301 HydrophobicContact CB-CD 4.17Å; H298-K301 HydrophobicContact CB-CG 4.23Å; H298-K301 PolarHBondContact O-N 3.32Å; H298-S302 WeakPolarHBondContact O-CB 2.99Å; H298-S302 PolarHBondContact O-N 2.84Å; H298-S302 PolarHBondContact O-OG 3.09Å; H298-N347 PolarHBondContact CE1-OD1 2.83Å; H298-N347 PolarHBondContact ND1-OD1 3.19Å |
| 299 | A | 83.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.7 | -38.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L303 I342 C343 T344 L355 I370 | A299-L303 VanDerWaalsContact O-CB 3.29Å; A299-L303 WeakPolarHBondContact O-CB 3.39Å; A299-L303 PolarHBondContact O-N 3.16Å; A299-I342 HydrophobicContact CB-CB 4.26Å; A299-C343 PolarHBondContact N-O 3.13Å; A299-T344 HydrophobicContact CB-CG2 4.34Å; A299-L355 HydrophobicContact CB-CB 4.41Å; A299-L355 HydrophobicContact CB-CD2 3.85Å; A299-I370 HydrophobicContact CB-CD1 4.11Å; A299-I370 WeakPolarHBondContact O-CD1 3.05Å |
| 300 | D | 83 | Confident | 87.4 | Confident | 96 Ų | 96 | 46.7 Ų | 46.7 | 51% | 0.513 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.2 | -49.2 | 178.6 | 63.8 | -36 | 0 | 0 | 0 | 112.4 | H298 D304 | H298-D300 VanDerWaalsContact C-N 3.34Å; H298-D300 WeakPolarHBondContact CB-OD1 3.31Å; H298-D300 PolarHBondContact O-N 3.46Å; D300-D304 WeakPolarHBondContact O-CB 3.43Å; D300-D304 PolarHBondContact O-N 3Å |
| 301 | K | 85.6 | Confident | 87.1 | Confident | 101 Ų | 101 | 51.6 Ų | 51.6 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68 | -43 | 178.1 | -68 | -175 | 172.2 | -171.5 | 0 | 112.6 | H298 L303 D304 S305 | H298-K301 HydrophobicContact CB-CB 4.14Å; H298-K301 HydrophobicContact CB-CD 4.17Å; H298-K301 HydrophobicContact CB-CG 4.23Å; H298-K301 PolarHBondContact O-N 3.32Å; K301-L303 VanDerWaalsContact C-N 3.3Å; K301-L303 PolarHBondContact O-N 3.28Å; K301-D304 PolarHBondContact O-N 3.34Å; K301-S305 WeakPolarHBondContact O-CB 3.47Å; K301-S305 PolarHBondContact O-N 3.05Å |
| 302 | S | 90.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.7 | -36.7 | -178.9 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | N296 H298 F306 | N296-S302 PolarHBondContact N-OG 2.68Å; N296-S302 PolarHBondContact O-OG 2.91Å; N296-S302 VanDerWaalsContact O-OG 3.05Å; N296-S302 PolarHBondContact OD1-OG 2.78Å; H298-S302 WeakPolarHBondContact O-CB 2.99Å; H298-S302 PolarHBondContact O-N 2.84Å; H298-S302 PolarHBondContact O-OG 3.09Å; S302-F306 WeakPolarHBondContact O-CB 3.49Å; S302-F306 PolarHBondContact O-N 3.11Å |
| 303 | L | 90.9 | Very high | 86.4 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.4 | -52.9 | 172 | -178.8 | 63.6 | 0 | 0 | 0 | 111.3 | A299 K301 S305 F306 C307 L355 I370 | A299-L303 VanDerWaalsContact O-CB 3.29Å; A299-L303 WeakPolarHBondContact O-CB 3.39Å; A299-L303 PolarHBondContact O-N 3.16Å; K301-L303 VanDerWaalsContact C-N 3.3Å; K301-L303 PolarHBondContact O-N 3.28Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 3.12Å; L303-F306 PolarHBondContact O-N 2.94Å; L303-C307 WeakPolarHBondContact CD1-SG 3.08Å; L303-C307 VanDerWaalsContact O-CB 3.31Å; L303-C307 WeakPolarHBondContact O-CB 3.38Å; L303-C307 PolarHBondContact O-N 3.4Å; L303-C307 PolarHBondContact O-SG 3.42Å; L303-L355 HydrophobicContact CB-CD2 4.43Å; L303-L355 HydrophobicContact CD2-CB 4.38Å; L303-L355 HydrophobicContact CD2-CD2 4Å; L303-L355 HydrophobicContact CD2-CG 3.87Å; L303-I370 HydrophobicContact CB-CD1 4.17Å; L303-I370 HydrophobicContact CB-CG1 4.28Å; L303-I370 HydrophobicContact CB-CG2 4.2Å; L303-I370 HydrophobicContact CD1-CG2 4Å |
| 304 | D | 89.3 | Confident | 85.1 | Confident | 84 Ų | 84 | 48.6 Ų | 48.6 | 45% | 0.449 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.2 | -43.8 | 179.5 | 176.7 | 80.5 | 0 | 0 | 0 | 112.6 | D300 K301 K308 | D300-D304 WeakPolarHBondContact O-CB 3.43Å; D300-D304 PolarHBondContact O-N 3Å; K301-D304 PolarHBondContact O-N 3.34Å; D304-K308 WeakPolarHBondContact O-CD 3Å; D304-K308 WeakPolarHBondContact O-CG 3Å; D304-K308 PolarHBondContact O-N 3.07Å; D304-K308 VanDerWaalsContact O-N 3.16Å; D304-K308 WeakPolarHBondContact OD1-CE 3.31Å; D304-K308 IonicContact OD1-NZ 3.51Å; D304-K308 PolarHBondContact OD1-NZ 2.84Å; D304-K308 WeakPolarHBondContact OD2-CE 3.27Å; D304-K308 IonicContact OD2-NZ 2.77Å; D304-K308 PolarHBondContact OD2-NZ 3.36Å |
| 305 | S | 92.2 | Very high | 82.8 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.5 | -45 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | N292 L293 E294 K301 L303 K308 W309 | N292-S305 PolarHBondContact O-OG 3.47Å; L293-S305 WeakPolarHBondContact CA-OG 3.37Å; E294-S305 PolarHBondContact N-OG 3.16Å; K301-S305 WeakPolarHBondContact O-CB 3.47Å; K301-S305 PolarHBondContact O-N 3.05Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 3.12Å; S305-K308 PolarHBondContact O-N 2.8Å; S305-W309 WeakPolarHBondContact O-CB 3.45Å; S305-W309 PolarHBondContact O-N 2.04Å |
| 306 | F | 93.3 | Very high | 80.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 177.3 | 179 | -115.7 | 0 | 0 | 0 | 112.3 | V238 L293 S302 L303 K308 W309 Q310 A334 L336 C368 S369 I370 | V238-F306 HydrophobicContact CB-CE2 3.98Å; V238-F306 HydrophobicContact CB-CZ 4.27Å; V238-F306 HydrophobicContact CG1-CE2 4.39Å; V238-F306 HydrophobicContact CG2-CE2 3.78Å; V238-F306 HydrophobicContact CG2-CZ 3.97Å; L293-F306 HydrophobicContact CD1-CB 4.18Å; L293-F306 HydrophobicContact CD1-CD2 4.22Å; S302-F306 WeakPolarHBondContact O-CB 3.49Å; S302-F306 PolarHBondContact O-N 3.11Å; L303-F306 PolarHBondContact O-N 2.94Å; F306-K308 VanDerWaalsContact C-N 3.29Å; F306-K308 PolarHBondContact O-N 2.97Å; F306-W309 HydrophobicContact CD2-CE3 4.18Å; F306-W309 HydrophobicContact CE2-CE3 4.12Å; F306-W309 HydrophobicContact CE2-CZ3 4.2Å; F306-W309 PolarHBondContact O-N 3.07Å; F306-Q310 HydrophobicContact CE2-CB 4.44Å; F306-Q310 HydrophobicContact CZ-CB 4.44Å; F306-Q310 VanDerWaalsContact O-CG 3.3Å; F306-Q310 WeakPolarHBondContact O-CG 3.29Å; F306-Q310 PolarHBondContact O-N 2.83Å; F306-A334 HydrophobicContact CE1-CB 3.86Å; F306-A334 HydrophobicContact CZ-CB 3.86Å; F306-L336 HydrophobicContact CB-CD2 4.3Å; F306-L336 HydrophobicContact CD1-CB 3.8Å; F306-L336 HydrophobicContact CD2-CB 3.99Å; F306-L336 HydrophobicContact CD2-CD1 4.41Å; F306-L336 HydrophobicContact CD2-CD2 4.2Å; F306-L336 HydrophobicContact CD2-CG 4.43Å; F306-L336 HydrophobicContact CE1-CB 3.68Å; F306-L336 HydrophobicContact CE2-CB 3.87Å; F306-L336 HydrophobicContact CE2-CD1 4.33Å; F306-L336 HydrophobicContact CG-CB 3.95Å; F306-L336 HydrophobicContact CG-CD2 4.14Å; F306-L336 HydrophobicContact CZ-CB 3.72Å; F306-C368 HydrophobicContact CD1-CB 4.35Å; F306-C368 HydrophobicContact CE1-CB 4.44Å; F306-S369 WeakPolarHBondContact CE1-O 3.34Å; F306-I370 HydrophobicContact CB-CG2 4.18Å; F306-I370 HydrophobicContact CD1-CG2 4.12Å; F306-I370 HydrophobicContact CG-CG2 4.41Å |
| 307 | C | 90.6 | Very high | 78 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.3 | -35.9 | 176.9 | -66.3 | 0 | 0 | 0 | 0 | 112.7 | L303 Q310 E365 C368 | L303-C307 WeakPolarHBondContact CD1-SG 3.08Å; L303-C307 VanDerWaalsContact O-CB 3.31Å; L303-C307 WeakPolarHBondContact O-CB 3.38Å; L303-C307 PolarHBondContact O-N 3.4Å; L303-C307 PolarHBondContact O-SG 3.42Å; C307-Q310 WeakPolarHBondContact O-CG 3.37Å; C307-Q310 PolarHBondContact O-NE2 3.42Å; C307-E365 WeakPolarHBondContact CB-O 3.37Å; C307-C368 HydrophobicContact CB-CB 4.05Å; C307-C368 WeakPolarHBondContact CB-SG 3.44Å; C307-C368 WeakPolarHBondContact SG-CB 3.32Å; C307-C368 CovalentContact SG-SG 2.03Å; C307-C368 PolarHBondContact SG-SG 2.8Å |
| 308 | K | 88.9 | Confident | 75.5 | Confident | 113 Ų | 113 | 61.7 Ų | 61.7 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -75.5 | -39.4 | 174.4 | -71.8 | 167 | -172.8 | 165.8 | 0 | 112.3 | D304 S305 F306 R311 S312 | D304-K308 WeakPolarHBondContact O-CD 3Å; D304-K308 WeakPolarHBondContact O-CG 3Å; D304-K308 PolarHBondContact O-N 3.07Å; D304-K308 VanDerWaalsContact O-N 3.16Å; D304-K308 WeakPolarHBondContact OD1-CE 3.31Å; D304-K308 IonicContact OD1-NZ 3.51Å; D304-K308 PolarHBondContact OD1-NZ 2.84Å; D304-K308 WeakPolarHBondContact OD2-CE 3.27Å; D304-K308 IonicContact OD2-NZ 2.77Å; D304-K308 PolarHBondContact OD2-NZ 3.36Å; S305-K308 PolarHBondContact O-N 2.8Å; F306-K308 VanDerWaalsContact C-N 3.29Å; F306-K308 PolarHBondContact O-N 2.97Å; K308-R311 PolarHBondContact O-N 3.02Å; K308-S312 PolarHBondContact O-N 3.25Å; K308-S312 VanDerWaalsContact O-N 3.1Å |
| 309 | W | 88.9 | Confident | 73.1 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 3% | 0.034 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.6 | -43.4 | 179.2 | 179.2 | 91.2 | 0 | 0 | 0 | 112.8 | W85 V238 I284 L293 S305 F306 R311 S312 I313 | W85-W309 AromaticContact CE3-CZ2 3.95Å; W85-W309 HydrophobicContact CE3-CZ2 3.95Å; W85-W309 HydrophobicContact CH2-CZ2 4.25Å; W85-W309 HydrophobicContact CZ3-CH2 4.47Å; W85-W309 AromaticContact CZ3-CZ2 3.67Å; W85-W309 HydrophobicContact CZ3-CZ2 3.67Å; V238-W309 HydrophobicContact CG1-CZ3 4.39Å; V238-W309 HydrophobicContact CG2-CZ3 4.11Å; I284-W309 HydrophobicContact CD1-CH2 4.04Å; I284-W309 HydrophobicContact CG2-CH2 4.38Å; L293-W309 HydrophobicContact CB-CB 4.32Å; L293-W309 HydrophobicContact CB-CD2 4.43Å; L293-W309 HydrophobicContact CB-CG 3.89Å; L293-W309 HydrophobicContact CD1-CB 4.01Å; L293-W309 HydrophobicContact CD1-CD2 4.46Å; L293-W309 HydrophobicContact CD1-CG 4.15Å; L293-W309 HydrophobicContact CD2-CD2 3.87Å; L293-W309 HydrophobicContact CD2-CE3 4.2Å; L293-W309 HydrophobicContact CD2-CG 4.17Å; L293-W309 HydrophobicContact CD2-CZ2 4.37Å; L293-W309 HydrophobicContact CG-CD2 4.49Å; L293-W309 HydrophobicContact CG-CG 4.29Å; S305-W309 WeakPolarHBondContact O-CB 3.45Å; S305-W309 PolarHBondContact O-N 2.04Å; F306-W309 HydrophobicContact CD2-CE3 4.18Å; F306-W309 HydrophobicContact CE2-CE3 4.12Å; F306-W309 HydrophobicContact CE2-CZ3 4.2Å; F306-W309 PolarHBondContact O-N 3.07Å; W309-R311 PolarHBondContact O-N 2.9Å; W309-R311 VanDerWaalsContact O-N 3.16Å; W309-S312 PolarHBondContact O-N 3.08Å; W309-S312 PolarHBondContact O-OG 2.94Å; W309-I313 HydrophobicContact CE3-CD1 4.35Å; W309-I313 HydrophobicContact CH2-CD1 3.92Å; W309-I313 HydrophobicContact CH2-CG2 4.45Å; W309-I313 HydrophobicContact CZ2-CG2 4.13Å; W309-I313 HydrophobicContact CZ3-CD1 3.75Å; W309-I313 PolarHBondContact O-N 3.41Å |
| 310 | Q | 87.1 | Confident | 70.7 | Confident | 5 Ų | 5 | 68 Ų | 68 | 2% | 0.023 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.5 | -26 | 177.4 | 68.2 | 75.4 | 37.5 | 0 | 0 | 112.1 | L236 F306 C307 I313 H331 A334 P364 | L236-Q310 HydrophobicContact CD2-CB 4.33Å; F306-Q310 HydrophobicContact CE2-CB 4.44Å; F306-Q310 HydrophobicContact CZ-CB 4.44Å; F306-Q310 VanDerWaalsContact O-CG 3.3Å; F306-Q310 WeakPolarHBondContact O-CG 3.29Å; F306-Q310 PolarHBondContact O-N 2.83Å; C307-Q310 WeakPolarHBondContact O-CG 3.37Å; C307-Q310 PolarHBondContact O-NE2 3.42Å; Q310-I313 WeakPolarHBondContact O-CG1 3.41Å; Q310-H331 PolarHBondContact OE1-NE2 3.16Å; Q310-A334 HydrophobicContact CB-CB 3.87Å; Q310-A334 HydrophobicContact CG-CB 3.75Å; Q310-P364 PolarHBondContact NE2-O 3.09Å |
| 311 | R | 81.6 | Confident | 68.4 | Low | 117 Ų | 117 | 71 Ų | 71 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -77.4 | -37.7 | 171.4 | -176 | -174.9 | 176.2 | -163.2 | 19.6 | 112.6 | K308 W309 I313 L314 E365 | K308-R311 PolarHBondContact O-N 3.02Å; W309-R311 PolarHBondContact O-N 2.9Å; W309-R311 VanDerWaalsContact O-N 3.16Å; R311-I313 PolarHBondContact O-N 3.05Å; R311-L314 WeakPolarHBondContact O-CB 3.4Å; R311-L314 PolarHBondContact O-N 3.49Å; R311-E365 IonicContact CZ-OE1 2.65Å; R311-E365 IonicContact NH1-OE1 3.07Å; R311-E365 PolarHBondContact NH1-OE1 3.27Å; R311-E365 IonicContact NH1-OE2 3.6Å; R311-E365 IonicContact NH2-OE1 3.3Å; R311-E365 PolarHBondContact NH2-OE1 3.39Å |
| 312 | S | 76 | Confident | 65.8 | Low | 84 Ų | 84 | 69.2 Ų | 69.2 | 59% | 0.587 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68.8 | -19 | -179.6 | 72 | 0 | 0 | 0 | 0 | 113.4 | K308 W309 | K308-S312 PolarHBondContact O-N 3.25Å; K308-S312 VanDerWaalsContact O-N 3.1Å; W309-S312 PolarHBondContact O-N 3.08Å; W309-S312 PolarHBondContact O-OG 2.94Å |
| 313 | I | 71.4 | Confident | 63.3 | Low | 34 Ų | 34 | 75.4 Ų | 75.4 | 17% | 0.174 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -3.3 | 171 | 66.4 | 169.4 | 0 | 0 | 0 | 114 | W85 L236 I284 W309 Q310 R311 | W85-I313 HydrophobicContact CH2-CB 4.49Å; W85-I313 HydrophobicContact CH2-CG2 3.68Å; W85-I313 HydrophobicContact CZ3-CG2 4.16Å; L236-I313 HydrophobicContact CD2-CD1 3.79Å; I284-I313 HydrophobicContact CD1-CD1 3.81Å; W309-I313 HydrophobicContact CE3-CD1 4.35Å; W309-I313 HydrophobicContact CH2-CD1 3.92Å; W309-I313 HydrophobicContact CH2-CG2 4.45Å; W309-I313 HydrophobicContact CZ2-CG2 4.13Å; W309-I313 HydrophobicContact CZ3-CD1 3.75Å; W309-I313 PolarHBondContact O-N 3.41Å; Q310-I313 WeakPolarHBondContact O-CG1 3.41Å; R311-I313 PolarHBondContact O-N 3.05Å |
| 314 | L | 62.1 | Low | 60.7 | Low | 57 Ų | 57 | 76.9 Ų | 76.9 | 30% | 0.298 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -79.8 | 119 | 165 | -64.2 | 171.6 | 0 | 0 | 0 | 108.3 | R311 | R311-L314 WeakPolarHBondContact O-CB 3.4Å; R311-L314 PolarHBondContact O-N 3.49Å |
| 315 | S | 42.5 | Very low | 58.1 | Low | 81 Ų | 81 | 82.6 Ų | 82.6 | 57% | 0.566 | 46% | 0.458 | S | S | * | . | trans | -64.9 | 138.4 | -177.4 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | H317 | S315-H317 PolarHBondContact O-N 2.74Š| ||
| 316 | H | 38.5 | Very low | 55.5 | Low | 188 Ų | 188 | 88 Ų | 88 | 87% | 0.87 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -59.7 | 10.9 | -173.6 | -102.4 | -77.2 | 0 | 0 | 0 | 118 | ||
| 317 | H | 35.2 | Very low | 52.9 | Low | 157 Ų | 157 | 89.3 Ų | 89.3 | 73% | 0.727 | 50% | 0.499 | S | S | * | . | trans | -129.6 | 131 | -175.7 | -70.8 | -73.1 | 0 | 0 | 0 | 114 | S315 | S315-H317 PolarHBondContact O-N 2.74Š| ||
| 318 | S | 32.1 | Very low | 50.4 | Low | 76 Ų | 76 | 94 Ų | 94 | 53% | 0.531 | 52% | 0.521 | S | S | . | . | trans | 90 | 122.9 | 171.5 | 76.8 | 0 | 0 | 0 | 0 | 118 | S322 | S318-S322 WeakPolarHBondContact CB-OG 2.95Å; S318-S322 PolarHBondContact OG-OG 3.02Å | ||
| 319 | S | 33.6 | Very low | 48.5 | Very low | 130 Ų | 130 | 90 Ų | 90 | 91% | 0.909 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -92.2 | 87.1 | 168.2 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 320 | G | 32.8 | Very low | 47.3 | Very low | 54 Ų | 54 | 94.5 Ų | 94.5 | 56% | 0.557 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 86.7 | 148.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | S322 | G320-S322 PolarHBondContact O-N 2.03Š|
| 321 | N | 34.4 | Very low | 46.8 | Very low | 158 Ų | 158 | 94.7 Ų | 94.7 | 85% | 0.845 | 53% | 0.531 | S | S | * | . | S | Bend | trans | 51.8 | 0.8 | 161.8 | -68.2 | 2.7 | 0 | 0 | 0 | 120.9 | ||
| 322 | S | 30.1 | Very low | 47 | Very low | 65 Ų | 65 | 89.5 Ų | 89.5 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | trans | -98.4 | 113.4 | 165.8 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | S318 G320 P324 | S318-S322 WeakPolarHBondContact CB-OG 2.95Å; S318-S322 PolarHBondContact OG-OG 3.02Å; G320-S322 PolarHBondContact O-N 2.03Å; S322-P324 VanDerWaalsContact O-CD 3.29Å; S322-P324 WeakPolarHBondContact O-CD 3.27Å | ||
| 323 | I | 37.8 | Very low | 47.7 | Very low | 130 Ų | 130 | 85.5 Ų | 85.5 | 67% | 0.667 | 48% | 0.484 | S | S | * | . | trans | -65.6 | 119.4 | 165.3 | -57.9 | 172.9 | 0 | 0 | 0 | 107.3 | ||||
| 324 | P | 37.3 | Very low | 48.7 | Very low | 47 Ų | 47 | 83.9 Ų | 83.9 | 31% | 0.305 | 48% | 0.476 | S | S | . | . | trans | -65.1 | 149.3 | 175.7 | -19.3 | 32.9 | 0 | 0 | 0 | 110.5 | S322 N326 G327 | S322-P324 VanDerWaalsContact O-CD 3.29Å; S322-P324 WeakPolarHBondContact O-CD 3.27Å; P324-N326 PolarHBondContact O-N 3.23Å; P324-G327 PolarHBondContact O-N 2.81Å | ||
| 325 | E | 34.6 | Very low | 50.3 | Low | 205 Ų | 205 | 81.1 Ų | 81.1 | 96% | 0.958 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -19.1 | 179.8 | -66.1 | -174.8 | 112.6 | 0 | 0 | 113.7 | G327 | E325-G327 VanDerWaalsContact C-N 3.31Å; E325-G327 PolarHBondContact O-N 3Å |
| 326 | N | 37.3 | Very low | 52.9 | Low | 132 Ų | 132 | 77.3 Ų | 77.3 | 71% | 0.706 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -9.6 | 174.8 | -64.5 | -31.6 | 0 | 0 | 0 | 114.8 | P324 M328 | P324-N326 PolarHBondContact O-N 3.23Å; N326-M328 HydrophobicContact CB-CE 4.3Å; N326-M328 PolarHBondContact O-N 2.99Å |
| 327 | G | 37.9 | Very low | 55.5 | Low | 27 Ų | 27 | 68.5 Ų | 68.5 | 28% | 0.278 | 39% | 0.394 | S | S | . | . | trans | 67.2 | 27.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | P324 E325 | P324-G327 PolarHBondContact O-N 2.81Å; E325-G327 VanDerWaalsContact C-N 3.31Å; E325-G327 PolarHBondContact O-N 3Å | ||
| 328 | M | 38.7 | Very low | 58.2 | Low | 104 Ų | 104 | 61.1 Ų | 61.1 | 51% | 0.512 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -84.5 | 141.5 | 175.9 | -58.8 | -178.1 | -172.1 | 0 | 0 | 110.8 | N326 | N326-M328 HydrophobicContact CB-CE 4.3Å; N326-M328 PolarHBondContact O-N 2.99Å |
| 329 | A | 48.4 | Very low | 60.8 | Low | 30 Ų | 30 | 60.4 Ų | 60.4 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 146.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 330 | H | 64.2 | Low | 63.3 | Low | 103 Ų | 103 | 56.1 Ų | 56.1 | 48% | 0.477 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 164.9 | 169.4 | 180 | -97.5 | 0 | 0 | 0 | 110.6 | E234 T281 D332 | E234-H330 IonicContact OE2-CG 3.13Å; E234-H330 IonicContact OE2-ND1 2.74Å; E234-H330 PolarHBondContact OE2-ND1 3.33Å; E234-H330 VanDerWaalsContact OE2-ND1 3.11Å; T281-H330 PolarHBondContact OG1-O 2.75Å; T281-H330 VanDerWaalsContact OG1-O 3.08Å; H330-D332 IonicContact CE1-OD1 2.68Å; H330-D332 PolarHBondContact CE1-OD1 2.76Å; H330-D332 IonicContact ND1-OD1 3.76Å |
| 331 | H | 76.2 | Confident | 65.5 | Low | 9 Ų | 9 | 57 Ų | 57 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | trans | -147 | 137.2 | 169.2 | 67.9 | -101.7 | 0 | 0 | 0 | 110.6 | E234 L236 Q310 | E234-H331 CarbonylContact O-C 3.58Å; E234-H331 WeakPolarHBondContact O-CA 3.21Å; L236-H331 HydrophobicContact CB-CB 3.89Å; Q310-H331 PolarHBondContact OE1-NE2 3.16Å | ||
| 332 | D | 85.4 | Confident | 67.7 | Low | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -83.3 | -28.5 | 175.4 | -56.6 | -48.8 | 0 | 0 | 0 | 111.7 | E234 H330 S367 C444 L445 | E234-D332 HydrophobicContact CB-CB 4.5Å; E234-D332 WeakPolarHBondContact CB-OD2 3.31Å; E234-D332 PolarHBondContact N-OD2 2.91Å; E234-D332 PolarHBondContact O-N 2.8Å; H330-D332 IonicContact CE1-OD1 2.68Å; H330-D332 PolarHBondContact CE1-OD1 2.76Å; H330-D332 IonicContact ND1-OD1 3.76Å; D332-S367 WeakPolarHBondContact O-CB 3.32Å; D332-S367 PolarHBondContact O-OG 3.41Å; D332-C444 PolarHBondContact OD1-SG 2.82Å; D332-L445 HydrophobicContact CB-CD2 3.72Å |
| 333 | N | 91.3 | Very high | 70 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 149.1 | -173.8 | 179.9 | 58.7 | 0 | 0 | 0 | 111.9 | V233 E234 T235 L236 M361 S367 | V233-N333 HydrophobicContact CG1-CB 3.84Å; E234-N333 PolarHBondContact O-N 3.07Å; E234-N333 VanDerWaalsContact O-N 3.11Å; T235-N333 WeakPolarHBondContact CA-O 3.43Å; L236-N333 PolarHBondContact N-O 2.94Å; N333-M361 HydrophobicContact CB-CE 3.95Å; N333-M361 HydrophobicContact CB-SD 4.07Å; N333-S367 WeakPolarHBondContact CA-O 3.39Å; N333-S367 PolarHBondContact OD1-O 3.07Å |
| 334 | A | 92.6 | Very high | 71.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L236 F306 Q310 S367 C368 S369 | L236-A334 HydrophobicContact CB-CB 4.45Å; L236-A334 HydrophobicContact CD2-CB 4.31Å; L236-A334 WeakPolarHBondContact O-CA 3.34Å; F306-A334 HydrophobicContact CE1-CB 3.86Å; F306-A334 HydrophobicContact CZ-CB 3.86Å; Q310-A334 HydrophobicContact CB-CB 3.87Å; Q310-A334 HydrophobicContact CG-CB 3.75Å; A334-S367 PolarHBondContact N-O 2.83Å; A334-C368 CarbonylContact O-C 3.59Å; A334-C368 VanDerWaalsContact O-CA 3.28Å; A334-C368 WeakPolarHBondContact O-CA 3.18Å; A334-S369 PolarHBondContact O-N 2.8Å |
| 335 | V | 95.8 | Very high | 72.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 114.2 | -179.2 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | T235 L236 V237 V238 I337 I382 I386 | T235-V335 HydrophobicContact CG2-CB 4.48Å; T235-V335 HydrophobicContact CG2-CG2 3.74Å; L236-V335 PolarHBondContact O-N 2.84Å; V237-V335 WeakPolarHBondContact CA-O 3.41Å; V238-V335 PolarHBondContact N-O 3.13Å; V335-I337 HydrophobicContact CG1-CG1 4.07Å; V335-I382 HydrophobicContact CG1-CD1 4.17Å; V335-I382 HydrophobicContact CG1-CG1 3.99Å; V335-I382 HydrophobicContact CG1-CG2 3.83Å; V335-I382 HydrophobicContact CG2-CG2 4.15Å; V335-I386 HydrophobicContact CG2-CD1 4.08Å; V335-I386 HydrophobicContact CG2-CG1 4.46Å |
| 336 | L | 95.8 | Very high | 73 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 136.5 | 166.3 | -179.7 | 65.1 | 0 | 0 | 0 | 109.9 | V238 I295 F306 S369 I370 N371 | V238-L336 HydrophobicContact CB-CD1 4.05Å; V238-L336 HydrophobicContact CG1-CD1 3.93Å; V238-L336 CarbonylContact O-C 3.54Å; V238-L336 WeakPolarHBondContact O-CA 3.31Å; I295-L336 HydrophobicContact CD1-CD1 3.98Å; I295-L336 HydrophobicContact CD1-CD2 3.85Å; I295-L336 HydrophobicContact CG1-CD2 3.97Å; I295-L336 HydrophobicContact CG2-CD2 4.32Å; F306-L336 HydrophobicContact CB-CD2 4.3Å; F306-L336 HydrophobicContact CD1-CB 3.8Å; F306-L336 HydrophobicContact CD2-CB 3.99Å; F306-L336 HydrophobicContact CD2-CD1 4.41Å; F306-L336 HydrophobicContact CD2-CD2 4.2Å; F306-L336 HydrophobicContact CD2-CG 4.43Å; F306-L336 HydrophobicContact CE1-CB 3.68Å; F306-L336 HydrophobicContact CE2-CB 3.87Å; F306-L336 HydrophobicContact CE2-CD1 4.33Å; F306-L336 HydrophobicContact CG-CB 3.95Å; F306-L336 HydrophobicContact CG-CD2 4.14Å; F306-L336 HydrophobicContact CZ-CB 3.72Å; L336-S369 PolarHBondContact N-O 2.77Å; L336-I370 HydrophobicContact CB-CB 4.43Å; L336-I370 HydrophobicContact CB-CG2 4.07Å; L336-I370 HydrophobicContact CD2-CB 4.39Å; L336-I370 HydrophobicContact CD2-CG2 3.85Å; L336-N371 WeakPolarHBondContact O-CB 3.49Å; L336-N371 PolarHBondContact O-N 3.49Å; L336-N371 PolarHBondContact O-ND2 2.73Å |
| 337 | I | 94.6 | Very high | 73.8 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.6 | 172.8 | -48.6 | 178.9 | 0 | 0 | 0 | 108.6 | V237 V238 A239 D240 M243 I256 V335 N371 D373 I382 | V237-I337 HydrophobicContact CG1-CD1 3.88Å; V237-I337 HydrophobicContact CG1-CG1 4.39Å; V238-I337 PolarHBondContact O-N 3.5Å; A239-I337 WeakPolarHBondContact CA-O 3.46Å; D240-I337 PolarHBondContact N-O 3.05Å; M243-I337 HydrophobicContact CE-CB 4.44Å; M243-I337 HydrophobicContact CE-CG2 3.61Å; M243-I337 HydrophobicContact CG-CG2 4.44Å; M243-I337 WeakPolarHBondContact CG-O 3.37Å; M243-I337 HydrophobicContact SD-CG2 3.85Å; I256-I337 HydrophobicContact CG2-CD1 4.21Å; V335-I337 HydrophobicContact CG1-CG1 4.07Å; I337-N371 WeakPolarHBondContact CA-O 3.24Å; I337-D373 HydrophobicContact CG2-CB 3.89Å; I337-I382 HydrophobicContact CD1-CD1 3.81Å; I337-I382 HydrophobicContact CG1-CD1 4.1Å |
| 338 | T | 92.4 | Very high | 74.4 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155.4 | -174.4 | 179.3 | 0 | 0 | 0 | 0 | 113 | D240 Y340 I342 N371 E372 D373 | D240-T338 WeakPolarHBondContact OD2-CB 3.42Å; D240-T338 PolarHBondContact OD2-OG1 3.39Å; T338-Y340 WeakPolarHBondContact OG1-CD2 3.05Å; T338-Y340 PolarHBondContact OG1-N 2.68Å; T338-I342 HydrophobicContact CG2-CG2 4.3Å; T338-N371 PolarHBondContact N-O 2.94Å; T338-E372 WeakPolarHBondContact O-CA 3.46Å; T338-D373 WeakPolarHBondContact O-CB 3.35Å; T338-D373 PolarHBondContact O-N 2.65Å |
| 339 | R | 86.2 | Confident | 75 | Confident | 62 Ų | 62 | 47.9 Ų | 47.9 | 23% | 0.234 | 23% | 0.23 | C | C | . | . | trans | -102.9 | 20.9 | 165.7 | -74.7 | -71.2 | -96.6 | 172.9 | -10.6 | 113.3 | M242 M243 Y246 D373 F473 | M242-R339 HydrophobicContact CB-CB 3.89Å; M243-R339 HydrophobicContact SD-CG 3.81Å; Y246-R339 HydrophobicContact CG-CG 4.46Å; Y246-R339 PolarHBondContact OH-NH2 2.79Å; R339-D373 WeakPolarHBondContact CD-O 3.08Å; R339-D373 WeakPolarHBondContact CD-OD2 3.34Å; R339-D373 HydrophobicContact CG-CB 4.03Å; R339-D373 IonicContact NE-OD2 2.64Å; R339-D373 PolarHBondContact NH1-O 2.73Å; R339-F473 PolarHBondContact NH2-O 2.64Å | ||
| 340 | Y | 85.1 | Confident | 75.5 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -75.9 | 132.6 | 158.7 | -76.4 | -74.8 | 0 | 0 | 0 | 109.8 | D240 K241 M242 I295 H297 T338 I342 | D240-Y340 WeakPolarHBondContact OD2-CD2 3.2Å; K241-Y340 WeakPolarHBondContact CE-OH 3.35Å; K241-Y340 PolarHBondContact NZ-OH 2.77Å; M242-Y340 HydrophobicContact CG-CD2 3.91Å; M242-Y340 HydrophobicContact CG-CE2 3.54Å; M242-Y340 HydrophobicContact SD-CE2 4.47Å; I295-Y340 HydrophobicContact CG2-CD2 3.72Å; I295-Y340 HydrophobicContact CG2-CE2 4.14Å; H297-Y340 AromaticContact CE1-CD1 3.89Å; H297-Y340 AromaticContact NE2-CD1 3.72Å; T338-Y340 WeakPolarHBondContact OG1-CD2 3.05Å; T338-Y340 PolarHBondContact OG1-N 2.68Å; Y340-I342 WeakPolarHBondContact O-CG2 3.24Å; Y340-I342 PolarHBondContact O-N 3.07Å |
| 341 | D | 78.8 | Confident | 75.3 | Confident | 72 Ų | 72 | 44.8 Ų | 44.8 | 39% | 0.385 | 22% | 0.222 | S | C | . | . | trans | -68.9 | 103.6 | 170.1 | 171.8 | 19.9 | 0 | 0 | 0 | 108.9 | H297 C350 E372 | H297-D341 PolarHBondContact ND1-O 3.3Å; D341-C350 WeakPolarHBondContact OD1-CB 3.5Å; D341-E372 WeakPolarHBondContact CA-OE2 3.33Å | ||
| 342 | I | 80.7 | Confident | 74.9 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -93 | 127.3 | -167.6 | 67.8 | -176.8 | 0 | 0 | 0 | 113.3 | A299 T338 Y340 T352 I370 E372 | A299-I342 HydrophobicContact CB-CB 4.26Å; T338-I342 HydrophobicContact CG2-CG2 4.3Å; Y340-I342 WeakPolarHBondContact O-CG2 3.24Å; Y340-I342 PolarHBondContact O-N 3.07Å; I342-T352 WeakPolarHBondContact CG1-O 3.31Å; I342-I370 HydrophobicContact CD1-CD1 4.12Å; I342-I370 HydrophobicContact CD1-CG1 4.21Å; I342-E372 HydrophobicContact CD1-CB 4.47Å; I342-E372 HydrophobicContact CG1-CB 4.43Å; I342-E372 PolarHBondContact N-OE2 3.25Å | ||
| 343 | C | 78.4 | Confident | 74.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -117.7 | 135.8 | -171.5 | -37.2 | 0 | 0 | 0 | 0 | 110.4 | H297 A299 C350 | H297-C343 WeakPolarHBondContact O-CA 3.38Å; H297-C343 VanDerWaalsContact O-CB 3.29Å; H297-C343 WeakPolarHBondContact O-CB 3.37Å; H297-C343 PolarHBondContact O-N 3Å; A299-C343 PolarHBondContact N-O 3.13Å; C343-C350 HydrophobicContact CB-CB 3.92Å; C343-C350 WeakPolarHBondContact CB-SG 3.44Å; C343-C350 WeakPolarHBondContact SG-CB 3.36Å; C343-C350 CovalentContact SG-SG 2.03Å; C343-C350 PolarHBondContact SG-SG 3.1Å |
| 344 | T | 64.8 | Low | 74.3 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -86.5 | -12.2 | 179.1 | 43.9 | 0 | 0 | 0 | 0 | 114 | A299 T352 | A299-T344 HydrophobicContact CB-CG2 4.34Å; T344-T352 HydrophobicContact CG2-CG2 3.74Å; T344-T352 WeakPolarHBondContact CG2-OG1 3.42Å; T344-T352 PolarHBondContact OG1-OG1 2.92Å |
| 345 | Y | 55.6 | Low | 74.1 | Confident | 142 Ų | 142 | 49.6 Ų | 49.6 | 56% | 0.557 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -149 | 127.1 | 172.1 | -159.9 | -104.1 | 0 | 0 | 0 | 112.4 | N347 K348 | Y345-N347 PolarHBondContact O-N 3.16Å; Y345-K348 PolarHBondContact O-N 2.97Å; Y345-K348 VanDerWaalsContact O-N 3.08Å; Y345-K348 VanDerWaalsContact O-O 3.09Å |
| 346 | K | 53.2 | Low | 73.9 | Confident | 153 Ų | 153 | 50.2 Ų | 50.2 | 67% | 0.665 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 34.3 | 46.6 | 166.2 | -63.4 | -176.2 | -177.9 | 160.4 | 0 | 116 | K348 | K346-K348 PolarHBondContact O-N 3.43Å; K346-K348 VanDerWaalsContact O-N 3.15Å |
| 347 | N | 54.7 | Low | 73.4 | Confident | 82 Ų | 82 | 51.5 Ų | 51.5 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 6.7 | 175.8 | -53.2 | -4.9 | 0 | 0 | 0 | 116.8 | H298 Y345 C350 | H298-N347 PolarHBondContact CE1-OD1 2.83Å; H298-N347 PolarHBondContact ND1-OD1 3.19Å; Y345-N347 PolarHBondContact O-N 3.16Å; N347-C350 VanDerWaalsContact C-SG 3.5Å; N347-C350 PolarHBondContact O-SG 2.95Å |
| 348 | K | 49.7 | Very low | 72.9 | Confident | 175 Ų | 175 | 54.3 Ų | 54.3 | 76% | 0.761 | 28% | 0.281 | S | S | * | . | trans | -159 | 144.3 | 168.4 | -68.7 | -160.4 | 178.2 | -171.1 | 0 | 112.4 | Y345 K346 | Y345-K348 PolarHBondContact O-N 2.97Å; Y345-K348 VanDerWaalsContact O-N 3.08Å; Y345-K348 VanDerWaalsContact O-O 3.09Å; K346-K348 PolarHBondContact O-N 3.43Å; K346-K348 VanDerWaalsContact O-N 3.15Å | ||
| 349 | P | 52 | Low | 72.5 | Confident | 90 Ų | 90 | 54.8 Ų | 54.8 | 58% | 0.584 | 29% | 0.285 | S | S | * | . | S | Bend | cis | -71.2 | 158 | -12.6 | 31.5 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 350 | C | 58.5 | Low | 72.4 | Confident | 39 Ų | 39 | 51.9 Ų | 51.9 | 26% | 0.264 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -123.4 | 113.2 | 175.2 | -44.4 | 0 | 0 | 0 | 0 | 106.9 | D341 C343 N347 | D341-C350 WeakPolarHBondContact OD1-CB 3.5Å; C343-C350 HydrophobicContact CB-CB 3.92Å; C343-C350 WeakPolarHBondContact CB-SG 3.44Å; C343-C350 WeakPolarHBondContact SG-CB 3.36Å; C343-C350 CovalentContact SG-SG 2.03Å; C343-C350 PolarHBondContact SG-SG 3.1Å; N347-C350 VanDerWaalsContact C-SG 3.5Å; N347-C350 PolarHBondContact O-SG 2.95Å |
| 351 | G | 60.6 | Low | 72.6 | Confident | 29 Ų | 29 | 50 Ų | 50 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | trans | -170.5 | 19.6 | -176 | 0 | 0 | 0 | 0 | 0 | 109.9 | C178 | C178-G351 VanDerWaalsContact CB-C 3.49Å; C178-G351 WeakPolarHBondContact CB-O 3.25Å; C178-G351 PolarHBondContact SG-N 3.11Å; C178-G351 VanDerWaalsContact SG-N 3.41Å | ||
| 352 | T | 67.9 | Low | 72.8 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 9% | 0.086 | 26% | 0.259 | C | S | . | . | trans | -93.3 | 107.8 | 176.3 | -64.2 | 0 | 0 | 0 | 0 | 105.3 | C178 I342 T344 G354 | C178-T352 VanDerWaalsContact CB-OG1 3.27Å; C178-T352 WeakPolarHBondContact CB-OG1 3.28Å; I342-T352 WeakPolarHBondContact CG1-O 3.31Å; T344-T352 HydrophobicContact CG2-CG2 3.74Å; T344-T352 WeakPolarHBondContact CG2-OG1 3.42Å; T344-T352 PolarHBondContact OG1-OG1 2.92Å; T352-G354 WeakPolarHBondContact CG2-O 3.44Å | ||
| 353 | L | 78.5 | Confident | 72.9 | Confident | 50 Ų | 50 | 50.7 Ų | 50.7 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | trans | -77.9 | -23 | -174 | -62.4 | 174.3 | 0 | 0 | 0 | 112.8 | E372 I374 T381 I416 | L353-E372 WeakPolarHBondContact O-CB 3.5Å; L353-E372 PolarHBondContact O-N 2.82Å; L353-I374 HydrophobicContact CD1-CD1 3.96Å; L353-I374 HydrophobicContact CD2-CD1 4.3Å; L353-I374 HydrophobicContact CD2-CG2 3.85Å; L353-T381 VanDerWaalsContact C-CG2 3.44Å; L353-T381 HydrophobicContact CB-CG2 3.78Å; L353-T381 VanDerWaalsContact O-CG2 3.26Å; L353-T381 WeakPolarHBondContact O-CG2 3.48Å; L353-I416 HydrophobicContact CD1-CD1 3.84Å | ||
| 354 | G | 85.5 | Confident | 72.7 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 167.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T352 I370 E385 | T352-G354 WeakPolarHBondContact CG2-O 3.44Å; G354-I370 CarbonylContact C-O 3.58Å; G354-I370 VanDerWaalsContact CA-O 3.23Å; G354-I370 WeakPolarHBondContact CA-O 3.42Å; G354-E385 VanDerWaalsContact C-CD 3.41Å; G354-E385 VanDerWaalsContact C-OE1 3.27Å; G354-E385 WeakPolarHBondContact CA-OE1 3.23Å |
| 355 | L | 88.5 | Confident | 73.4 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 134.3 | 169.7 | -165.2 | 69 | 0 | 0 | 0 | 111.5 | A299 L303 S369 I370 E385 | A299-L355 HydrophobicContact CB-CB 4.41Å; A299-L355 HydrophobicContact CB-CD2 3.85Å; L303-L355 HydrophobicContact CB-CD2 4.43Å; L303-L355 HydrophobicContact CD2-CB 4.38Å; L303-L355 HydrophobicContact CD2-CD2 4Å; L303-L355 HydrophobicContact CD2-CG 3.87Å; L355-S369 WeakPolarHBondContact O-CA 3.39Å; L355-I370 HydrophobicContact CB-CD1 4.4Å; L355-I370 HydrophobicContact CB-CG1 3.98Å; L355-I370 PolarHBondContact N-O 3.13Å; L355-I370 PolarHBondContact O-N 2.87Å; L355-E385 VanDerWaalsContact CA-OE2 3.25Å; L355-E385 WeakPolarHBondContact CA-OE2 3.45Å; L355-E385 PolarHBondContact N-OE2 3.44Å |
| 356 | A | 90.3 | Very high | 74.8 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 11% | 0.107 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 164.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V358 E385 H388 | A356-V358 PolarHBondContact O-N 2.88Å; A356-E385 HydrophobicContact CB-CB 3.9Å; A356-E385 VanDerWaalsContact CB-O 3.3Å; A356-E385 WeakPolarHBondContact CB-O 3.41Å; A356-E385 WeakPolarHBondContact CB-OE2 3.38Å; A356-E385 PolarHBondContact N-OE2 3.3Å; A356-H388 HydrophobicContact CB-CB 4.06Å |
| 357 | S | 84.8 | Confident | 76.5 | Confident | 28 Ų | 28 | 48 Ų | 48 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | trans | -80 | 115.6 | 173 | -111.6 | 0 | 0 | 0 | 0 | 111.3 | A359 G360 R366 N389 | S357-A359 PolarHBondContact O-N 2.85Å; S357-G360 PolarHBondContact O-N 2.77Å; S357-R366 VanDerWaalsContact CB-O 3.31Å; S357-R366 WeakPolarHBondContact CB-O 3.47Å; S357-R366 PolarHBondContact OG-NE 3.37Å; S357-R366 PolarHBondContact OG-NH2 3.02Å; S357-N389 PolarHBondContact O-ND2 3.37Å | ||
| 358 | V | 85.1 | Confident | 78.3 | Confident | 60 Ų | 60 | 44.1 Ų | 44.1 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 125.5 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | A356 G360 R366 H388 | A356-V358 PolarHBondContact O-N 2.88Å; V358-G360 VanDerWaalsContact C-N 3.28Å; V358-G360 PolarHBondContact O-N 3.05Å; V358-R366 PolarHBondContact O-NH2 2.99Å; V358-H388 CarbonylContact C-O 3.48Å; V358-H388 VanDerWaalsContact CA-O 3.3Å; V358-H388 WeakPolarHBondContact CA-O 3.42Å; V358-H388 HydrophobicContact CG2-CB 4.46Å |
| 359 | A | 83.8 | Confident | 80.5 | Confident | 13 Ų | 13 | 35.8 Ų | 35.8 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 33 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S357 H388 N389 F436 R441 | S357-A359 PolarHBondContact O-N 2.85Å; A359-H388 PolarHBondContact N-O 2.97Å; A359-N389 CarbonylContact C-O 3.54Å; A359-N389 WeakPolarHBondContact CA-O 3.38Å; A359-F436 HydrophobicContact CB-CD2 4.43Å; A359-F436 HydrophobicContact CB-CE2 4.22Å; A359-R441 VanDerWaalsContact CB-NH1 3.32Å; A359-R441 PolarHBondContact O-NH2 3.1Å |
| 360 | G | 84.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -84.2 | -3.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | S357 V358 E363 R366 S367 N389 | S357-G360 PolarHBondContact O-N 2.77Å; V358-G360 VanDerWaalsContact C-N 3.28Å; V358-G360 PolarHBondContact O-N 3.05Å; G360-E363 WeakPolarHBondContact O-CB 3.18Å; G360-E363 PolarHBondContact O-N 3.46Å; G360-R366 WeakPolarHBondContact CA-O 3.43Å; G360-R366 CarbonylContact O-C 3.48Å; G360-S367 WeakPolarHBondContact O-CA 3Å; G360-S367 VanDerWaalsContact O-CB 3.24Å; G360-S367 WeakPolarHBondContact O-CB 3.37Å; G360-S367 PolarHBondContact O-N 3.46Å; G360-N389 PolarHBondContact N-O 2.95Å | ||
| 361 | M | 88.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 139.2 | -179.1 | -177.4 | 63.3 | 65.2 | 0 | 0 | 111.6 | V233 N333 E363 S367 I386 N389 F390 F436 L445 | V233-M361 HydrophobicContact CG1-CE 3.97Å; V233-M361 HydrophobicContact CG1-SD 4.13Å; N333-M361 HydrophobicContact CB-CE 3.95Å; N333-M361 HydrophobicContact CB-SD 4.07Å; M361-E363 PolarHBondContact O-N 3Å; M361-E363 VanDerWaalsContact O-N 3.17Å; M361-S367 WeakPolarHBondContact CA-OG 3.31Å; M361-I386 HydrophobicContact CE-CG2 3.88Å; M361-N389 HydrophobicContact CB-CB 4.24Å; M361-N389 WeakPolarHBondContact CB-O 3.27Å; M361-N389 HydrophobicContact CE-CB 4.05Å; M361-N389 PolarHBondContact N-O 3.47Å; M361-F390 HydrophobicContact CB-CD1 4.47Å; M361-F390 HydrophobicContact CE-CD2 4.32Å; M361-F390 HydrophobicContact CE-CE2 3.97Å; M361-F390 HydrophobicContact CE-CZ 4.09Å; M361-F390 HydrophobicContact CG-CD1 4.22Å; M361-F390 HydrophobicContact CG-CE1 3.99Å; M361-F390 HydrophobicContact CG-CZ 4.39Å; M361-F436 HydrophobicContact CB-CE1 3.99Å; M361-F436 HydrophobicContact CB-CZ 3.7Å; M361-F436 HydrophobicContact CG-CE1 4.19Å; M361-F436 HydrophobicContact CG-CZ 4.35Å; M361-F436 WeakPolarHBondContact O-CZ 3.13Å; M361-L445 HydrophobicContact CG-CD1 3.98Å; M361-L445 HydrophobicContact CG-CD2 4.44Å; M361-L445 HydrophobicContact SD-CD1 4.41Å; M361-L445 HydrophobicContact SD-CD2 4.01Å |
| 362 | C | 83.3 | Confident | 85.5 | Confident | 33 Ų | 33 | 29.6 Ų | 29.6 | 22% | 0.223 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 2.9 | -169.4 | -57 | 0 | 0 | 0 | 0 | 116.4 | S367 R441 C444 | C362-S367 PolarHBondContact N-OG 2.04Å; C362-R441 WeakPolarHBondContact CB-O 3.46Å; C362-R441 PolarHBondContact SG-O 2.93Å; C362-R441 VanDerWaalsContact SG-O 3.41Å; C362-C444 WeakPolarHBondContact CA-SG 3.31Å; C362-C444 HydrophobicContact CB-CB 3.88Å; C362-C444 WeakPolarHBondContact CB-SG 3.33Å; C362-C444 WeakPolarHBondContact SG-CB 3.46Å; C362-C444 PolarHBondContact SG-N 3.16Å; C362-C444 VanDerWaalsContact SG-N 3.42Å; C362-C444 CovalentContact SG-SG 2.03Å; C362-C444 PolarHBondContact SG-SG 2.96Å |
| 363 | E | 82.6 | Confident | 86.3 | Confident | 55 Ų | 55 | 29 Ų | 29 | 26% | 0.257 | 16% | 0.158 | S | C | . | . | trans | -97 | 113.6 | 175.7 | -63.7 | 178.3 | -174 | 0 | 0 | 109.7 | G360 M361 E365 R366 S367 R441 | G360-E363 WeakPolarHBondContact O-CB 3.18Å; G360-E363 PolarHBondContact O-N 3.46Å; M361-E363 PolarHBondContact O-N 3Å; M361-E363 VanDerWaalsContact O-N 3.17Å; E363-E365 PolarHBondContact O-N 3.38Å; E363-R366 HydrophobicContact CB-CB 4.09Å; E363-R366 CarbonylContact O-C 3.46Å; E363-R366 PolarHBondContact O-N 3.39Å; E363-R366 IonicContact OE2-CZ 2.7Å; E363-R366 IonicContact OE2-NE 3.86Å; E363-R366 IonicContact OE2-NH1 3.7Å; E363-R366 PolarHBondContact OE2-NH1 3.42Å; E363-S367 WeakPolarHBondContact O-CB 3.02Å; E363-S367 PolarHBondContact O-N 2.9Å; E363-R441 IonicContact OE1-CZ 3.24Å; E363-R441 IonicContact OE1-NH2 3.78Å; E363-R441 PolarHBondContact OE1-NH2 2.86Å | ||
| 364 | P | 75.3 | Confident | 86.2 | Confident | 80 Ų | 80 | 27 Ų | 27 | 52% | 0.519 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -12.8 | -166.1 | -28.5 | 36.4 | 0 | 0 | 0 | 117.5 | Q310 | Q310-P364 PolarHBondContact NE2-O 3.09Š|
| 365 | E | 78.7 | Confident | 85.8 | Confident | 102 Ų | 102 | 26.8 Ų | 26.8 | 48% | 0.477 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -1.9 | 176 | -64.9 | -178.2 | -147.7 | 0 | 0 | 112.9 | C307 R311 E363 | C307-E365 WeakPolarHBondContact CB-O 3.37Å; R311-E365 IonicContact CZ-OE1 2.65Å; R311-E365 IonicContact NH1-OE1 3.07Å; R311-E365 PolarHBondContact NH1-OE1 3.27Å; R311-E365 IonicContact NH1-OE2 3.6Å; R311-E365 IonicContact NH2-OE1 3.3Å; R311-E365 PolarHBondContact NH2-OE1 3.39Å; E363-E365 PolarHBondContact O-N 3.38Å |
| 366 | R | 84.2 | Confident | 85 | Confident | 85 Ų | 85 | 25 Ų | 25 | 32% | 0.321 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.2 | -9 | -168.4 | -59.7 | -176.2 | 66.5 | -124.2 | -2.6 | 114.7 | S357 V358 G360 E363 C368 N389 | S357-R366 VanDerWaalsContact CB-O 3.31Å; S357-R366 WeakPolarHBondContact CB-O 3.47Å; S357-R366 PolarHBondContact OG-NE 3.37Å; S357-R366 PolarHBondContact OG-NH2 3.02Å; V358-R366 PolarHBondContact O-NH2 2.99Å; G360-R366 WeakPolarHBondContact CA-O 3.43Å; G360-R366 CarbonylContact O-C 3.48Å; E363-R366 HydrophobicContact CB-CB 4.09Å; E363-R366 CarbonylContact O-C 3.46Å; E363-R366 PolarHBondContact O-N 3.39Å; E363-R366 IonicContact OE2-CZ 2.7Å; E363-R366 IonicContact OE2-NE 3.86Å; E363-R366 IonicContact OE2-NH1 3.7Å; E363-R366 PolarHBondContact OE2-NH1 3.42Å; R366-C368 VanDerWaalsContact CA-SG 3.57Å; R366-C368 PolarHBondContact O-N 2.87Å; R366-C368 PolarHBondContact O-SG 3.14Å; R366-N389 PolarHBondContact O-ND2 3.29Å |
| 367 | S | 90.6 | Very high | 84.1 | Confident | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -80.7 | 64.4 | 175.4 | -154.6 | 0 | 0 | 0 | 0 | 111 | D332 N333 A334 G360 M361 C362 E363 | D332-S367 WeakPolarHBondContact O-CB 3.32Å; D332-S367 PolarHBondContact O-OG 3.41Å; N333-S367 WeakPolarHBondContact CA-O 3.39Å; N333-S367 PolarHBondContact OD1-O 3.07Å; A334-S367 PolarHBondContact N-O 2.83Å; G360-S367 WeakPolarHBondContact O-CA 3Å; G360-S367 VanDerWaalsContact O-CB 3.24Å; G360-S367 WeakPolarHBondContact O-CB 3.37Å; G360-S367 PolarHBondContact O-N 3.46Å; M361-S367 WeakPolarHBondContact CA-OG 3.31Å; C362-S367 PolarHBondContact N-OG 2.04Å; E363-S367 WeakPolarHBondContact O-CB 3.02Å; E363-S367 PolarHBondContact O-N 2.9Å |
| 368 | C | 92.6 | Very high | 84 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 147.5 | -167.2 | 43.4 | 0 | 0 | 0 | 0 | 111.6 | F306 C307 A334 R366 N389 | F306-C368 HydrophobicContact CD1-CB 4.35Å; F306-C368 HydrophobicContact CE1-CB 4.44Å; C307-C368 HydrophobicContact CB-CB 4.05Å; C307-C368 WeakPolarHBondContact CB-SG 3.44Å; C307-C368 WeakPolarHBondContact SG-CB 3.32Å; C307-C368 CovalentContact SG-SG 2.03Å; C307-C368 PolarHBondContact SG-SG 2.8Å; A334-C368 CarbonylContact O-C 3.59Å; A334-C368 VanDerWaalsContact O-CA 3.28Å; A334-C368 WeakPolarHBondContact O-CA 3.18Å; R366-C368 VanDerWaalsContact CA-SG 3.57Å; R366-C368 PolarHBondContact O-N 2.87Å; R366-C368 PolarHBondContact O-SG 3.14Å; C368-N389 PolarHBondContact N-ND2 3.28Å; C368-N389 PolarHBondContact O-ND2 3.38Å |
| 369 | S | 94.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 152.7 | 171 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | F306 A334 L336 L355 N371 | F306-S369 WeakPolarHBondContact CE1-O 3.34Å; A334-S369 PolarHBondContact O-N 2.8Å; L336-S369 PolarHBondContact N-O 2.77Å; L355-S369 WeakPolarHBondContact O-CA 3.39Å; S369-N371 PolarHBondContact OG-ND2 3.13Å; S369-N371 VanDerWaalsContact OG-ND2 3.15Å |
| 370 | I | 94.1 | Very high | 83.7 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.4 | 166.1 | 68 | 168.4 | 0 | 0 | 0 | 109.5 | A299 L303 F306 L336 I342 G354 L355 | A299-I370 HydrophobicContact CB-CD1 4.11Å; A299-I370 WeakPolarHBondContact O-CD1 3.05Å; L303-I370 HydrophobicContact CB-CD1 4.17Å; L303-I370 HydrophobicContact CB-CG1 4.28Å; L303-I370 HydrophobicContact CB-CG2 4.2Å; L303-I370 HydrophobicContact CD1-CG2 4Å; F306-I370 HydrophobicContact CB-CG2 4.18Å; F306-I370 HydrophobicContact CD1-CG2 4.12Å; F306-I370 HydrophobicContact CG-CG2 4.41Å; L336-I370 HydrophobicContact CB-CB 4.43Å; L336-I370 HydrophobicContact CB-CG2 4.07Å; L336-I370 HydrophobicContact CD2-CB 4.39Å; L336-I370 HydrophobicContact CD2-CG2 3.85Å; I342-I370 HydrophobicContact CD1-CD1 4.12Å; I342-I370 HydrophobicContact CD1-CG1 4.21Å; G354-I370 CarbonylContact C-O 3.58Å; G354-I370 VanDerWaalsContact CA-O 3.23Å; G354-I370 WeakPolarHBondContact CA-O 3.42Å; L355-I370 HydrophobicContact CB-CD1 4.4Å; L355-I370 HydrophobicContact CB-CG1 3.98Å; L355-I370 PolarHBondContact N-O 3.13Å; L355-I370 PolarHBondContact O-N 2.87Å |
| 371 | N | 93 | Very high | 83.7 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 129.9 | -170.2 | -53.7 | -97.1 | 0 | 0 | 0 | 110.2 | L336 I337 T338 S369 T381 I382 E385 | L336-N371 WeakPolarHBondContact O-CB 3.49Å; L336-N371 PolarHBondContact O-N 3.49Å; L336-N371 PolarHBondContact O-ND2 2.73Å; I337-N371 WeakPolarHBondContact CA-O 3.24Å; T338-N371 PolarHBondContact N-O 2.94Å; S369-N371 PolarHBondContact OG-ND2 3.13Å; S369-N371 VanDerWaalsContact OG-ND2 3.15Å; N371-T381 HydrophobicContact CB-CG2 4.38Å; N371-I382 HydrophobicContact CB-CG1 3.81Å; N371-I382 VanDerWaalsContact CG-CG1 3.44Å; N371-I382 VanDerWaalsContact OD1-CA 3.3Å; N371-I382 WeakPolarHBondContact OD1-CA 3.34Å; N371-I382 WeakPolarHBondContact OD1-CG1 3.28Å; N371-I382 PolarHBondContact OD1-N 3.42Å; N371-E385 WeakPolarHBondContact OD1-CG 3.07Å |
| 372 | E | 88.8 | Confident | 83.8 | Confident | 27 Ų | 27 | 21.4 Ų | 21.4 | 13% | 0.126 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 134.9 | 169.3 | -170.3 | 175.5 | 146.3 | 0 | 0 | 110.2 | T338 D341 I342 L353 I374 S378 | T338-E372 WeakPolarHBondContact O-CA 3.46Å; D341-E372 WeakPolarHBondContact CA-OE2 3.33Å; I342-E372 HydrophobicContact CD1-CB 4.47Å; I342-E372 HydrophobicContact CG1-CB 4.43Å; I342-E372 PolarHBondContact N-OE2 3.25Å; L353-E372 WeakPolarHBondContact O-CB 3.5Å; L353-E372 PolarHBondContact O-N 2.82Å; E372-I374 HydrophobicContact CG-CG2 4.33Å; E372-S378 PolarHBondContact O-OG 2.02Å |
| 373 | D | 85.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -81.8 | 116.7 | 174 | 174.2 | 46.7 | 0 | 0 | 0 | 110.9 | M243 H247 Y255 I337 T338 R339 G375 S378 | M243-D373 HydrophobicContact CE-CB 3.9Å; M243-D373 HydrophobicContact SD-CB 3.36Å; M243-D373 WeakPolarHBondContact SD-CB 3.44Å; H247-D373 IonicContact CD2-OD2 2.88Å; H247-D373 IonicContact CE1-OD2 2.9Å; H247-D373 IonicContact NE2-OD2 3.16Å; H247-D373 PolarHBondContact NE2-OD2 2.76Å; Y255-D373 WeakPolarHBondContact CE1-OD1 3.4Å; Y255-D373 VanDerWaalsContact CZ-OD1 3.3Å; Y255-D373 PolarHBondContact OH-OD1 2.81Å; I337-D373 HydrophobicContact CG2-CB 3.89Å; T338-D373 WeakPolarHBondContact O-CB 3.35Å; T338-D373 PolarHBondContact O-N 2.65Å; R339-D373 WeakPolarHBondContact CD-O 3.08Å; R339-D373 WeakPolarHBondContact CD-OD2 3.34Å; R339-D373 HydrophobicContact CG-CB 4.03Å; R339-D373 IonicContact NE-OD2 2.64Å; R339-D373 PolarHBondContact NH1-O 2.73Å; D373-G375 PolarHBondContact OD1-N 2.97Å; D373-S378 VanDerWaalsContact CA-OG 3.28Å; D373-S378 WeakPolarHBondContact CA-OG 3.29Å | ||
| 374 | I | 76.4 | Confident | 84.4 | Confident | 9 Ų | 9 | 18.2 Ų | 18.2 | 5% | 0.046 | 9% | 0.092 | C | C | . | . | trans | -125.7 | 24.8 | -179.3 | 59.5 | 158.7 | 0 | 0 | 0 | 111.8 | L353 E372 S378 Q474 I505 | L353-I374 HydrophobicContact CD1-CD1 3.96Å; L353-I374 HydrophobicContact CD2-CD1 4.3Å; L353-I374 HydrophobicContact CD2-CG2 3.85Å; E372-I374 HydrophobicContact CG-CG2 4.33Å; I374-S378 VanDerWaalsContact CG1-OG 3.28Å; I374-S378 WeakPolarHBondContact CG1-OG 3.29Å; I374-S378 PolarHBondContact N-OG 2.98Å; I374-Q474 WeakPolarHBondContact O-CG 3.42Å; I374-I505 HydrophobicContact CD1-CD1 3.74Å | ||
| 375 | G | 77.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | S | Bend | trans | 88.6 | -166.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y255 D373 G377 S378 | Y255-G375 WeakPolarHBondContact OH-CA 3.06Å; Y255-G375 PolarHBondContact OH-N 3.14Å; Y255-G375 PolarHBondContact OH-O 2.86Å; Y255-G375 VanDerWaalsContact OH-O 3.06Å; D373-G375 PolarHBondContact OD1-N 2.97Å; G375-G377 PolarHBondContact O-N 2.96Å; G375-S378 PolarHBondContact O-N 2.84Å |
| 376 | L | 71.8 | Confident | 86 | Confident | 11 Ų | 11 | 10.2 Ų | 10.2 | 6% | 0.058 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -19.6 | -179.1 | -60.1 | -173.8 | 0 | 0 | 0 | 113.4 | Y255 V259 I262 S378 A379 P461 Y465 Q470 F473 A508 | Y255-L376 HydrophobicContact CE2-CD2 4.07Å; V259-L376 HydrophobicContact CG2-CD2 4.11Å; I262-L376 HydrophobicContact CD1-CB 4.12Å; L376-S378 PolarHBondContact O-N 2.92Å; L376-A379 WeakPolarHBondContact O-CB 3.34Å; L376-A379 PolarHBondContact O-N 2.82Å; L376-A379 VanDerWaalsContact O-N 3.16Å; L376-P461 HydrophobicContact CD1-CB 4.18Å; L376-Y465 HydrophobicContact CD1-CD2 4.07Å; L376-Y465 HydrophobicContact CD1-CG 4.47Å; L376-Y465 HydrophobicContact CD2-CD2 4.46Å; L376-Q470 HydrophobicContact CD1-CG 3.94Å; L376-F473 HydrophobicContact CG-CD2 4.44Å; L376-A508 HydrophobicContact CD1-CB 3.97Å |
| 377 | G | 71.3 | Confident | 86.4 | Confident | 7 Ų | 7 | 6.1 Ų | 6.1 | 7% | 0.072 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G375 A379 F380 | G375-G377 PolarHBondContact O-N 2.96Å; G377-A379 PolarHBondContact O-N 2.73Å; G377-A379 VanDerWaalsContact O-N 3.08Å; G377-F380 WeakPolarHBondContact O-CB 3.37Å; G377-F380 VanDerWaalsContact O-CD2 3.29Å; G377-F380 WeakPolarHBondContact O-CD2 3.19Å; G377-F380 PolarHBondContact O-N 2.75Å |
| 378 | S | 82.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 6.8 Ų | 6.8 | 1% | 0.007 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.7 | -13.9 | 175.8 | -64.7 | 0 | 0 | 0 | 0 | 113.5 | E372 D373 I374 G375 L376 F380 T381 I382 | E372-S378 PolarHBondContact O-OG 2.02Å; D373-S378 VanDerWaalsContact CA-OG 3.28Å; D373-S378 WeakPolarHBondContact CA-OG 3.29Å; I374-S378 VanDerWaalsContact CG1-OG 3.28Å; I374-S378 WeakPolarHBondContact CG1-OG 3.29Å; I374-S378 PolarHBondContact N-OG 2.98Å; G375-S378 PolarHBondContact O-N 2.84Å; L376-S378 PolarHBondContact O-N 2.92Å; S378-F380 VanDerWaalsContact C-N 3.28Å; S378-F380 PolarHBondContact O-N 3.03Å; S378-T381 WeakPolarHBondContact O-CB 3.48Å; S378-T381 PolarHBondContact O-N 3.4Å; S378-I382 WeakPolarHBondContact O-CB 3.32Å; S378-I382 WeakPolarHBondContact O-CD1 3.07Å; S378-I382 VanDerWaalsContact O-CG1 3.23Å; S378-I382 WeakPolarHBondContact O-CG1 3.37Å; S378-I382 PolarHBondContact O-N 2.98Å |
| 379 | A | 81.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.9 | -32 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V259 I262 V263 L376 G377 A383 | V259-A379 HydrophobicContact CG1-CB 4.01Å; V259-A379 WeakPolarHBondContact O-CB 3.38Å; I262-A379 HydrophobicContact CB-CB 3.49Å; I262-A379 VanDerWaalsContact CB-CB 3.49Å; I262-A379 HydrophobicContact CD1-CB 4.22Å; I262-A379 HydrophobicContact CG1-CB 4.46Å; I262-A379 HydrophobicContact CG2-CB 3.44Å; I262-A379 VanDerWaalsContact CG2-CB 3.44Å; V263-A379 HydrophobicContact CG2-CB 3.99Å; V263-A379 WeakPolarHBondContact CG2-O 3.06Å; L376-A379 WeakPolarHBondContact O-CB 3.34Å; L376-A379 PolarHBondContact O-N 2.82Å; L376-A379 VanDerWaalsContact O-N 3.16Å; G377-A379 PolarHBondContact O-N 2.73Å; G377-A379 VanDerWaalsContact O-N 3.08Å; A379-A383 VanDerWaalsContact O-CB 3.24Å; A379-A383 WeakPolarHBondContact O-CB 3.14Å; A379-A383 PolarHBondContact O-N 3.43Å |
| 380 | F | 81 | Confident | 86.2 | Confident | 27 Ų | 27 | 6.8 Ų | 6.8 | 12% | 0.118 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -72.2 | -41.5 | 174.8 | -53.7 | -62.8 | 0 | 0 | 0 | 110.5 | I262 L266 G377 S378 A383 H384 L411 F423 I505 | I262-F380 HydrophobicContact CG2-CE1 4.42Å; L266-F380 HydrophobicContact CD1-CD1 3.64Å; L266-F380 HydrophobicContact CD1-CE1 3.97Å; L266-F380 HydrophobicContact CD2-CD1 4.35Å; L266-F380 HydrophobicContact CD2-CE1 4.2Å; G377-F380 WeakPolarHBondContact O-CB 3.37Å; G377-F380 VanDerWaalsContact O-CD2 3.29Å; G377-F380 WeakPolarHBondContact O-CD2 3.19Å; G377-F380 PolarHBondContact O-N 2.75Å; S378-F380 VanDerWaalsContact C-N 3.28Å; S378-F380 PolarHBondContact O-N 3.03Å; F380-A383 PolarHBondContact O-N 2.81Å; F380-H384 VanDerWaalsContact O-CB 3.31Å; F380-H384 WeakPolarHBondContact O-CB 3.2Å; F380-H384 PolarHBondContact O-N 2.78Å; F380-L411 HydrophobicContact CB-CD1 4.09Å; F380-L411 HydrophobicContact CD1-CD1 4.08Å; F380-F423 HydrophobicContact CD1-CB 4.48Å; F380-F423 AromaticContact CD1-CD1 3.63Å; F380-F423 HydrophobicContact CD1-CD1 3.63Å; F380-F423 HydrophobicContact CD1-CD2 4.05Å; F380-F423 AromaticContact CD1-CE1 3.7Å; F380-F423 HydrophobicContact CD1-CE1 3.7Å; F380-F423 HydrophobicContact CD1-CE2 4.1Å; F380-F423 AromaticContact CD1-CG 3.8Å; F380-F423 HydrophobicContact CD1-CG 3.8Å; F380-F423 AromaticContact CD1-CZ 3.94Å; F380-F423 HydrophobicContact CD1-CZ 3.94Å; F380-F423 HydrophobicContact CD2-CE1 4.13Å; F380-F423 HydrophobicContact CD2-CE2 4.41Å; F380-F423 AromaticContact CD2-CZ 3.89Å; F380-F423 HydrophobicContact CD2-CZ 3.89Å; F380-F423 HydrophobicContact CE1-CB 4.22Å; F380-F423 AromaticContact CE1-CD1 3.8Å; F380-F423 HydrophobicContact CE1-CD1 3.8Å; F380-F423 AromaticContact CE1-CD2 3.31Å; F380-F423 HydrophobicContact CE1-CD2 3.31Å; F380-F423 AromaticContact CE1-CE1 3.89Å; F380-F423 HydrophobicContact CE1-CE1 3.89Å; F380-F423 AromaticContact CE1-CE2 3.4Å; F380-F423 HydrophobicContact CE1-CE2 3.4Å; F380-F423 VanDerWaalsContact CE1-CE2 3.4Å; F380-F423 AromaticContact CE1-CG 3.51Å; F380-F423 HydrophobicContact CE1-CG 3.51Å; F380-F423 AromaticContact CE1-CZ 3.7Å; F380-F423 HydrophobicContact CE1-CZ 3.7Å; F380-F423 HydrophobicContact CE2-CE1 4.3Å; F380-F423 AromaticContact CE2-CE2 3.77Å; F380-F423 HydrophobicContact CE2-CE2 3.77Å; F380-F423 AromaticContact CE2-CZ 3.64Å; F380-F423 HydrophobicContact CE2-CZ 3.64Å; F380-F423 HydrophobicContact CG-CD1 4.22Å; F380-F423 AromaticContact CG-CE1 3.86Å; F380-F423 HydrophobicContact CG-CE1 3.86Å; F380-F423 HydrophobicContact CG-CZ 4.05Å; F380-F423 HydrophobicContact CZ-CD1 4.5Å; F380-F423 AromaticContact CZ-CD2 3.61Å; F380-F423 HydrophobicContact CZ-CD2 3.61Å; F380-F423 HydrophobicContact CZ-CE1 4.2Å; F380-F423 AromaticContact CZ-CE2 3.22Å; F380-F423 HydrophobicContact CZ-CE2 3.22Å; F380-F423 HydrophobicContact CZ-CG 4.23Å; F380-F423 AromaticContact CZ-CZ 3.56Å; F380-F423 HydrophobicContact CZ-CZ 3.56Å; F380-I505 HydrophobicContact CD2-CG2 4.45Å; F380-I505 HydrophobicContact CE2-CG2 4.07Å |
| 381 | T | 84.4 | Confident | 85.9 | Confident | 6 Ų | 6 | 7.3 Ų | 7.3 | 4% | 0.037 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -58.2 | -54.7 | 172.3 | -51.1 | 0 | 0 | 0 | 0 | 111.7 | L353 N371 S378 A383 H384 E385 | L353-T381 VanDerWaalsContact C-CG2 3.44Å; L353-T381 HydrophobicContact CB-CG2 3.78Å; L353-T381 VanDerWaalsContact O-CG2 3.26Å; L353-T381 WeakPolarHBondContact O-CG2 3.48Å; N371-T381 HydrophobicContact CB-CG2 4.38Å; S378-T381 WeakPolarHBondContact O-CB 3.48Å; S378-T381 PolarHBondContact O-N 3.4Å; T381-A383 PolarHBondContact O-N 3.1Å; T381-H384 WeakPolarHBondContact O-CA 3.44Å; T381-H384 WeakPolarHBondContact O-CB 3.4Å; T381-H384 PolarHBondContact O-N 3.05Å; T381-E385 HydrophobicContact CG2-CG 4.43Å; T381-E385 WeakPolarHBondContact O-CG 3.41Å; T381-E385 PolarHBondContact O-N 3.45Å |
| 382 | I | 90.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -59.6 | -38 | 179.2 | -66.3 | 160.6 | 0 | 0 | 0 | 110.9 | V259 M260 V263 V335 I337 N371 S378 I386 | V259-I382 HydrophobicContact CG1-CD1 3.67Å; M260-I382 HydrophobicContact SD-CD1 4.39Å; M260-I382 HydrophobicContact SD-CG2 4.17Å; V263-I382 HydrophobicContact CG1-CG2 4.11Å; V263-I382 HydrophobicContact CG2-CB 3.84Å; V263-I382 HydrophobicContact CG2-CG2 3.72Å; V335-I382 HydrophobicContact CG1-CD1 4.17Å; V335-I382 HydrophobicContact CG1-CG1 3.99Å; V335-I382 HydrophobicContact CG1-CG2 3.83Å; V335-I382 HydrophobicContact CG2-CG2 4.15Å; I337-I382 HydrophobicContact CD1-CD1 3.81Å; I337-I382 HydrophobicContact CG1-CD1 4.1Å; N371-I382 HydrophobicContact CB-CG1 3.81Å; N371-I382 VanDerWaalsContact CG-CG1 3.44Å; N371-I382 VanDerWaalsContact OD1-CA 3.3Å; N371-I382 WeakPolarHBondContact OD1-CA 3.34Å; N371-I382 WeakPolarHBondContact OD1-CG1 3.28Å; N371-I382 PolarHBondContact OD1-N 3.42Å; S378-I382 WeakPolarHBondContact O-CB 3.32Å; S378-I382 WeakPolarHBondContact O-CD1 3.07Å; S378-I382 VanDerWaalsContact O-CG1 3.23Å; S378-I382 WeakPolarHBondContact O-CG1 3.37Å; S378-I382 PolarHBondContact O-N 2.98Å; I382-I386 HydrophobicContact CG2-CD1 3.77Å; I382-I386 HydrophobicContact CG2-CG1 4.43Å; I382-I386 WeakPolarHBondContact O-CB 3.4Å; I382-I386 WeakPolarHBondContact O-CD1 3.26Å; I382-I386 WeakPolarHBondContact O-CG1 3.45Å; I382-I386 PolarHBondContact O-N 2.94Å |
| 383 | A | 89.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -69.1 | -36.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V263 L266 Y267 A379 F380 T381 G387 L411 | V263-A383 HydrophobicContact CG1-CB 4.34Å; L266-A383 HydrophobicContact CB-CB 4.28Å; L266-A383 HydrophobicContact CD1-CB 3.68Å; Y267-A383 HydrophobicContact CE2-CB 4.11Å; Y267-A383 PolarHBondContact OH-O 3.47Å; A379-A383 VanDerWaalsContact O-CB 3.24Å; A379-A383 WeakPolarHBondContact O-CB 3.14Å; A379-A383 PolarHBondContact O-N 3.43Å; F380-A383 PolarHBondContact O-N 2.81Å; T381-A383 PolarHBondContact O-N 3.1Å; A383-G387 PolarHBondContact O-N 3.07Å; A383-L411 HydrophobicContact CB-CD2 3.9Å |
| 384 | H | 88.3 | Confident | 85.6 | Confident | 21 Ų | 21 | 11.3 Ų | 11.3 | 10% | 0.097 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.9 | -45.8 | 173.7 | -177 | 108.6 | 0 | 0 | 0 | 111.7 | F380 T381 G387 H388 H394 L411 M412 A413 | F380-H384 VanDerWaalsContact O-CB 3.31Å; F380-H384 WeakPolarHBondContact O-CB 3.2Å; F380-H384 PolarHBondContact O-N 2.78Å; T381-H384 WeakPolarHBondContact O-CA 3.44Å; T381-H384 WeakPolarHBondContact O-CB 3.4Å; T381-H384 PolarHBondContact O-N 3.05Å; H384-G387 CarbonylContact O-C 3.55Å; H384-G387 VanDerWaalsContact O-CA 3.24Å; H384-G387 WeakPolarHBondContact O-CA 3.43Å; H384-G387 PolarHBondContact O-N 2.6Å; H384-H388 AromaticContact CD2-CD2 3.5Å; H384-H388 PolarHBondContact CD2-CD2 2.79Å; H384-H388 VanDerWaalsContact CD2-CD2 3.5Å; H384-H388 AromaticContact CD2-NE2 3.36Å; H384-H388 PolarHBondContact CD2-NE2 3.41Å; H384-H388 AromaticContact NE2-CD2 3.68Å; H384-H388 AromaticContact NE2-NE2 3Å; H384-H388 PolarHBondContact NE2-NE2 2.87Å; H384-H388 PolarHBondContact O-N 3.29Å; H384-H394 AromaticContact CE1-CD2 3.65Å; H384-H394 AromaticContact CE1-NE2 3.74Å; H384-H394 AromaticContact NE2-CD2 3.48Å; H384-H394 PolarHBondContact NE2-CD2 2.69Å; H384-H394 AromaticContact NE2-NE2 3.19Å; H384-H394 PolarHBondContact NE2-NE2 2.9Å; H384-H394 VanDerWaalsContact NE2-NE2 3.19Å; H384-L411 PolarHBondContact ND1-O 2.99Å; H384-M412 HydrophobicContact CB-SD 4.42Å; H384-M412 WeakPolarHBondContact O-CE 3.04Å; H384-A413 PolarHBondContact CE1-O 3.3Å |
| 385 | E | 93.3 | Very high | 85.9 | Confident | 13 Ų | 13 | 11.7 Ų | 11.7 | 6% | 0.061 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -67.8 | -38.7 | 179.2 | -64.7 | -43.3 | 137.8 | 0 | 0 | 112.8 | G354 L355 A356 N371 T381 G387 H388 N389 | G354-E385 VanDerWaalsContact C-CD 3.41Å; G354-E385 VanDerWaalsContact C-OE1 3.27Å; G354-E385 WeakPolarHBondContact CA-OE1 3.23Å; L355-E385 VanDerWaalsContact CA-OE2 3.25Å; L355-E385 WeakPolarHBondContact CA-OE2 3.45Å; L355-E385 PolarHBondContact N-OE2 3.44Å; A356-E385 HydrophobicContact CB-CB 3.9Å; A356-E385 VanDerWaalsContact CB-O 3.3Å; A356-E385 WeakPolarHBondContact CB-O 3.41Å; A356-E385 WeakPolarHBondContact CB-OE2 3.38Å; A356-E385 PolarHBondContact N-OE2 3.3Å; N371-E385 WeakPolarHBondContact OD1-CG 3.07Å; T381-E385 HydrophobicContact CG2-CG 4.43Å; T381-E385 WeakPolarHBondContact O-CG 3.41Å; T381-E385 PolarHBondContact O-N 3.45Å; E385-G387 PolarHBondContact O-N 3.26Å; E385-H388 WeakPolarHBondContact O-CB 3.04Å; E385-H388 PolarHBondContact O-N 3.07Å; E385-H388 IonicContact OE2-CD2 2.63Å; E385-N389 PolarHBondContact O-N 2.9Å; E385-N389 PolarHBondContact O-OD1 3.04Å |
| 386 | I | 94.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.4 | -28.8 | 169.5 | -62 | 169.1 | 0 | 0 | 0 | 110.2 | V263 Y267 V335 M361 I382 N389 F390 | V263-I386 HydrophobicContact CG1-CD1 4.12Å; Y267-I386 HydrophobicContact CE1-CG2 4.43Å; Y267-I386 HydrophobicContact CE2-CB 4.04Å; Y267-I386 HydrophobicContact CE2-CG2 3.94Å; Y267-I386 WeakPolarHBondContact OH-CB 3.44Å; Y267-I386 VanDerWaalsContact OH-CG2 3.3Å; Y267-I386 WeakPolarHBondContact OH-CG2 3.45Å; V335-I386 HydrophobicContact CG2-CD1 4.08Å; V335-I386 HydrophobicContact CG2-CG1 4.46Å; M361-I386 HydrophobicContact CE-CG2 3.88Å; I382-I386 HydrophobicContact CG2-CD1 3.77Å; I382-I386 HydrophobicContact CG2-CG1 4.43Å; I382-I386 WeakPolarHBondContact O-CB 3.4Å; I382-I386 WeakPolarHBondContact O-CD1 3.26Å; I382-I386 WeakPolarHBondContact O-CG1 3.45Å; I382-I386 PolarHBondContact O-N 2.94Å; I386-N389 CarbonylContact O-C 3.46Å; I386-N389 WeakPolarHBondContact O-CB 2.99Å; I386-N389 PolarHBondContact O-N 2.96Å; I386-N389 VanDerWaalsContact O-N 3.16Å; I386-F390 HydrophobicContact CG2-CD2 3.97Å; I386-F390 HydrophobicContact CG2-CE2 3.84Å; I386-F390 VanDerWaalsContact O-CD2 3.27Å; I386-F390 WeakPolarHBondContact O-CD2 3.2Å; I386-F390 PolarHBondContact O-N 2.84Å |
| 387 | G | 92.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.7 | -44.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y267 A383 H384 E385 F390 G391 M392 | Y267-G387 WeakPolarHBondContact OH-CA 3.45Å; Y267-G387 PolarHBondContact OH-N 3.03Å; A383-G387 PolarHBondContact O-N 3.07Å; H384-G387 CarbonylContact O-C 3.55Å; H384-G387 VanDerWaalsContact O-CA 3.24Å; H384-G387 WeakPolarHBondContact O-CA 3.43Å; H384-G387 PolarHBondContact O-N 2.6Å; E385-G387 PolarHBondContact O-N 3.26Å; G387-F390 CarbonylContact O-C 3.52Å; G387-F390 PolarHBondContact O-N 3.42Å; G387-F390 VanDerWaalsContact O-N 3.14Å; G387-G391 PolarHBondContact O-N 3.37Å; G387-M392 WeakPolarHBondContact O-CB 3.46Å; G387-M392 WeakPolarHBondContact O-CG 2.98Å; G387-M392 PolarHBondContact O-N 3.1Å |
| 388 | H | 89.1 | Confident | 85.4 | Confident | 18 Ų | 18 | 21.1 Ų | 21.1 | 8% | 0.083 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 167.2 | -74.4 | -60.4 | 0 | 0 | 0 | 111.1 | A356 V358 A359 H384 E385 F390 G391 M392 H394 | A356-H388 HydrophobicContact CB-CB 4.06Å; V358-H388 CarbonylContact C-O 3.48Å; V358-H388 VanDerWaalsContact CA-O 3.3Å; V358-H388 WeakPolarHBondContact CA-O 3.42Å; V358-H388 HydrophobicContact CG2-CB 4.46Å; A359-H388 PolarHBondContact N-O 2.97Å; H384-H388 AromaticContact CD2-CD2 3.5Å; H384-H388 PolarHBondContact CD2-CD2 2.79Å; H384-H388 VanDerWaalsContact CD2-CD2 3.5Å; H384-H388 AromaticContact CD2-NE2 3.36Å; H384-H388 PolarHBondContact CD2-NE2 3.41Å; H384-H388 AromaticContact NE2-CD2 3.68Å; H384-H388 AromaticContact NE2-NE2 3Å; H384-H388 PolarHBondContact NE2-NE2 2.87Å; H384-H388 PolarHBondContact O-N 3.29Å; E385-H388 WeakPolarHBondContact O-CB 3.04Å; E385-H388 PolarHBondContact O-N 3.07Å; E385-H388 IonicContact OE2-CD2 2.63Å; H388-F390 PolarHBondContact O-N 2.74Å; H388-G391 WeakPolarHBondContact O-CA 3.32Å; H388-G391 PolarHBondContact O-N 2.65Å; H388-M392 PolarHBondContact ND1-O 3.28Å; H388-H394 AromaticContact CE1-CD2 3.39Å; H388-H394 PolarHBondContact CE1-CD2 3.22Å; H388-H394 AromaticContact CE1-NE2 3.31Å; H388-H394 PolarHBondContact CE1-NE2 2.82Å; H388-H394 VanDerWaalsContact CE1-NE2 3.31Å; H388-H394 AromaticContact NE2-CD2 3.52Å; H388-H394 AromaticContact NE2-NE2 3.12Å; H388-H394 PolarHBondContact NE2-NE2 2.75Å; H388-H394 VanDerWaalsContact NE2-NE2 3.12Å |
| 389 | N | 92.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.5 | -34.3 | 175.3 | -61.1 | 124.3 | 0 | 0 | 0 | 112.3 | S357 A359 G360 M361 R366 C368 E385 I386 G391 | S357-N389 PolarHBondContact O-ND2 3.37Å; A359-N389 CarbonylContact C-O 3.54Å; A359-N389 WeakPolarHBondContact CA-O 3.38Å; G360-N389 PolarHBondContact N-O 2.95Å; M361-N389 HydrophobicContact CB-CB 4.24Å; M361-N389 WeakPolarHBondContact CB-O 3.27Å; M361-N389 HydrophobicContact CE-CB 4.05Å; M361-N389 PolarHBondContact N-O 3.47Å; R366-N389 PolarHBondContact O-ND2 3.29Å; C368-N389 PolarHBondContact N-ND2 3.28Å; C368-N389 PolarHBondContact O-ND2 3.38Å; E385-N389 PolarHBondContact O-N 2.9Å; E385-N389 PolarHBondContact O-OD1 3.04Å; I386-N389 CarbonylContact O-C 3.46Å; I386-N389 WeakPolarHBondContact O-CB 2.99Å; I386-N389 PolarHBondContact O-N 2.96Å; I386-N389 VanDerWaalsContact O-N 3.16Å; N389-G391 PolarHBondContact O-N 3.43Å |
| 390 | F | 92.9 | Very high | 85 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -2.6 | 171.4 | -82.3 | -66.8 | 0 | 0 | 0 | 115.1 | V233 Y267 V276 M361 I386 G387 H388 M392 I433 F436 L437 L445 | V233-F390 HydrophobicContact CG2-CE2 4.4Å; V233-F390 HydrophobicContact CG2-CZ 3.89Å; Y267-F390 HydrophobicContact CD1-CE2 4.32Å; Y267-F390 AromaticContact CE1-CD2 3.79Å; Y267-F390 HydrophobicContact CE1-CD2 3.79Å; Y267-F390 AromaticContact CE1-CE2 3.61Å; Y267-F390 HydrophobicContact CE1-CE2 3.61Å; V276-F390 HydrophobicContact CG1-CE2 4.33Å; V276-F390 HydrophobicContact CG1-CZ 4.06Å; M361-F390 HydrophobicContact CB-CD1 4.47Å; M361-F390 HydrophobicContact CE-CD2 4.32Å; M361-F390 HydrophobicContact CE-CE2 3.97Å; M361-F390 HydrophobicContact CE-CZ 4.09Å; M361-F390 HydrophobicContact CG-CD1 4.22Å; M361-F390 HydrophobicContact CG-CE1 3.99Å; M361-F390 HydrophobicContact CG-CZ 4.39Å; I386-F390 HydrophobicContact CG2-CD2 3.97Å; I386-F390 HydrophobicContact CG2-CE2 3.84Å; I386-F390 VanDerWaalsContact O-CD2 3.27Å; I386-F390 WeakPolarHBondContact O-CD2 3.2Å; I386-F390 PolarHBondContact O-N 2.84Å; G387-F390 CarbonylContact O-C 3.52Å; G387-F390 PolarHBondContact O-N 3.42Å; G387-F390 VanDerWaalsContact O-N 3.14Å; H388-F390 PolarHBondContact O-N 2.74Å; F390-M392 HydrophobicContact CB-CE 4.49Å; F390-I433 HydrophobicContact CB-CB 4.48Å; F390-I433 HydrophobicContact CB-CD1 4.13Å; F390-I433 HydrophobicContact CB-CG1 4.08Å; F390-I433 HydrophobicContact CD1-CD1 3.66Å; F390-I433 HydrophobicContact CD1-CG1 3.71Å; F390-I433 HydrophobicContact CD2-CD1 3.82Å; F390-I433 HydrophobicContact CE1-CD1 3.93Å; F390-I433 HydrophobicContact CE1-CG1 4.26Å; F390-I433 HydrophobicContact CE2-CD1 4.09Å; F390-I433 HydrophobicContact CG-CD1 3.6Å; F390-I433 HydrophobicContact CG-CG1 3.9Å; F390-I433 HydrophobicContact CZ-CD1 4.14Å; F390-F436 AromaticContact CD1-CD1 3.95Å; F390-F436 HydrophobicContact CD1-CD1 3.95Å; F390-F436 HydrophobicContact CD1-CE1 4.17Å; F390-F436 WeakPolarHBondContact O-CB 3.47Å; F390-F436 VanDerWaalsContact O-CD2 3.22Å; F390-F436 WeakPolarHBondContact O-CD2 3.49Å; F390-F436 VanDerWaalsContact O-CG 3.27Å; F390-F436 WeakPolarHBondContact O-CG 3.39Å; F390-L437 HydrophobicContact CE1-CD2 4.33Å; F390-L445 HydrophobicContact CE1-CD1 3.53Å; F390-L445 HydrophobicContact CZ-CD1 3.83Å |
| 391 | G | 87.1 | Confident | 84.8 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 13% | 0.134 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | 17.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G387 H388 N389 | G387-G391 PolarHBondContact O-N 3.37Å; H388-G391 WeakPolarHBondContact O-CA 3.32Å; H388-G391 PolarHBondContact O-N 2.65Å; N389-G391 PolarHBondContact O-N 3.43Å |
| 392 | M | 89.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -69 | 142.9 | 168.1 | -54.8 | 179 | -170.6 | 0 | 0 | 109.9 | L272 G387 H388 F390 M412 W425 Y432 I433 | L272-M392 HydrophobicContact CD1-CE 3.61Å; G387-M392 WeakPolarHBondContact O-CB 3.46Å; G387-M392 WeakPolarHBondContact O-CG 2.98Å; G387-M392 PolarHBondContact O-N 3.1Å; H388-M392 PolarHBondContact ND1-O 3.28Å; F390-M392 HydrophobicContact CB-CE 4.49Å; M392-M412 HydrophobicContact CB-CE 4.05Å; M392-M412 HydrophobicContact CB-CG 4.06Å; M392-M412 HydrophobicContact CB-SD 4.28Å; M392-M412 HydrophobicContact SD-CG 3.69Å; M392-M412 HydrophobicContact SD-SD 3.92Å; M392-W425 HydrophobicContact CE-CE3 3.86Å; M392-W425 HydrophobicContact CE-CH2 4.24Å; M392-W425 HydrophobicContact CE-CZ3 3.64Å; M392-W425 HydrophobicContact SD-CE3 3.7Å; M392-W425 HydrophobicContact SD-CH2 4.43Å; M392-W425 HydrophobicContact SD-CZ3 3.42Å; M392-W425 WeakPolarHBondContact SD-CZ3 3.23Å; M392-Y432 HydrophobicContact CB-CD2 4.16Å; M392-I433 HydrophobicContact CE-CB 3.73Å; M392-I433 HydrophobicContact CE-CD1 4.03Å; M392-I433 HydrophobicContact CE-CG1 4.41Å; M392-I433 HydrophobicContact CE-CG2 3.94Å | ||
| 393 | N | 86.1 | Confident | 82.2 | Confident | 66 Ų | 66 | 32.7 Ų | 32.7 | 35% | 0.353 | 22% | 0.221 | S | C | . | . | trans | -105 | 164.5 | 168.3 | -66.4 | -79.9 | 0 | 0 | 0 | 109.8 | D395 Y432 | N393-D395 PolarHBondContact O-N 3.37Å; N393-Y432 HydrophobicContact CB-CE2 3.99Å | ||
| 394 | H | 85.4 | Confident | 80.4 | Confident | 44 Ų | 44 | 40.6 Ų | 40.6 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | trans | -59.6 | 138 | 178.2 | -68.3 | 165 | 0 | 0 | 0 | 112.8 | H384 H388 G396 I397 N399 M412 A414 | H384-H394 AromaticContact CE1-CD2 3.65Å; H384-H394 AromaticContact CE1-NE2 3.74Å; H384-H394 AromaticContact NE2-CD2 3.48Å; H384-H394 PolarHBondContact NE2-CD2 2.69Å; H384-H394 AromaticContact NE2-NE2 3.19Å; H384-H394 PolarHBondContact NE2-NE2 2.9Å; H384-H394 VanDerWaalsContact NE2-NE2 3.19Å; H388-H394 AromaticContact CE1-CD2 3.39Å; H388-H394 PolarHBondContact CE1-CD2 3.22Å; H388-H394 AromaticContact CE1-NE2 3.31Å; H388-H394 PolarHBondContact CE1-NE2 2.82Å; H388-H394 VanDerWaalsContact CE1-NE2 3.31Å; H388-H394 AromaticContact NE2-CD2 3.52Å; H388-H394 AromaticContact NE2-NE2 3.12Å; H388-H394 PolarHBondContact NE2-NE2 2.75Å; H388-H394 VanDerWaalsContact NE2-NE2 3.12Å; H394-G396 PolarHBondContact O-N 2.98Å; H394-I397 HydrophobicContact CB-CB 4.13Å; H394-I397 HydrophobicContact CB-CD1 3.87Å; H394-I397 HydrophobicContact CB-CG1 4Å; H394-I397 PolarHBondContact O-N 2.78Å; H394-I397 VanDerWaalsContact O-N 3.16Å; H394-N399 PolarHBondContact O-ND2 2.85Å; H394-M412 CarbonylContact C-O 3.2Å; H394-M412 WeakPolarHBondContact CA-O 3.48Å; H394-A414 HydrophobicContact CB-CB 4.29Å | ||
| 395 | D | 82.1 | Confident | 78.5 | Confident | 17 Ų | 17 | 43 Ų | 43 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -62.5 | 126.3 | 175.6 | -78.6 | -46 | 0 | 0 | 0 | 111.3 | N393 I397 C401 K410 M412 S426 | N393-D395 PolarHBondContact O-N 3.37Å; D395-I397 VanDerWaalsContact C-N 3.33Å; D395-I397 PolarHBondContact O-N 3.01Å; D395-C401 HydrophobicContact CB-CB 4.29Å; D395-C401 WeakPolarHBondContact OD1-CB 3.47Å; D395-K410 WeakPolarHBondContact OD2-CB 3.29Å; D395-M412 PolarHBondContact N-O 3.02Å; D395-M412 WeakPolarHBondContact OD2-CB 3.43Å; D395-S426 VanDerWaalsContact CG-OG 3.23Å; D395-S426 WeakPolarHBondContact OD1-CB 3.26Å; D395-S426 PolarHBondContact OD1-OG 3.11Å; D395-S426 WeakPolarHBondContact OD2-CB 3.32Å; D395-S426 PolarHBondContact OD2-OG 3Å |
| 396 | G | 73.8 | Confident | 76.2 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 36% | 0.361 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -7.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | H394 N399 | H394-G396 PolarHBondContact O-N 2.98Å; G396-N399 PolarHBondContact N-OD1 3.41Å |
| 397 | I | 71.9 | Confident | 74.3 | Confident | 95 Ų | 95 | 56.9 Ų | 56.9 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -99.6 | 96.5 | 176.5 | -54.8 | -171.1 | 0 | 0 | 0 | 109 | H394 D395 N399 A414 | H394-I397 HydrophobicContact CB-CB 4.13Å; H394-I397 HydrophobicContact CB-CD1 3.87Å; H394-I397 HydrophobicContact CB-CG1 4Å; H394-I397 PolarHBondContact O-N 2.78Å; H394-I397 VanDerWaalsContact O-N 3.16Å; D395-I397 VanDerWaalsContact C-N 3.33Å; D395-I397 PolarHBondContact O-N 3.01Å; I397-N399 VanDerWaalsContact C-N 3.28Å; I397-N399 PolarHBondContact O-N 3.13Å; I397-A414 HydrophobicContact CD1-CB 4.07Å |
| 398 | G | 64.3 | Low | 72.7 | Confident | 87 Ų | 87 | 59.3 Ų | 59.3 | 90% | 0.897 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 76 | 9.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 399 | N | 78.3 | Confident | 71.6 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 18% | 0.176 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -137.1 | 172.9 | 174.6 | 62.8 | 56.7 | 0 | 0 | 0 | 111.4 | H394 G396 I397 C401 C428 Y432 | H394-N399 PolarHBondContact O-ND2 2.85Å; G396-N399 PolarHBondContact N-OD1 3.41Å; I397-N399 VanDerWaalsContact C-N 3.28Å; I397-N399 PolarHBondContact O-N 3.13Å; N399-C401 VanDerWaalsContact C-N 3.34Å; N399-C401 PolarHBondContact O-N 3.07Å; N399-C401 PolarHBondContact OD1-N 2.67Å; N399-C401 VanDerWaalsContact OD1-N 3.13Å; N399-C428 HydrophobicContact CB-CB 4.49Å; N399-Y432 PolarHBondContact ND2-OH 2.72Å |
| 400 | S | 77.1 | Confident | 71 | Confident | 103 Ų | 103 | 61.3 Ų | 61.3 | 72% | 0.72 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -77.8 | -11.1 | -174.8 | 48.9 | 0 | 0 | 0 | 0 | 114.9 | G402 | S400-G402 VanDerWaalsContact C-N 3.26Å; S400-G402 PolarHBondContact O-N 3.26Å; S400-G402 VanDerWaalsContact O-N 3.15Å |
| 401 | C | 76.8 | Confident | 70.5 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 20% | 0.203 | 38% | 0.378 | C | S | . | . | trans | -86.1 | 28.6 | -169 | -62.7 | 0 | 0 | 0 | 0 | 114.7 | D395 N399 C428 | D395-C401 HydrophobicContact CB-CB 4.29Å; D395-C401 WeakPolarHBondContact OD1-CB 3.47Å; N399-C401 VanDerWaalsContact C-N 3.34Å; N399-C401 PolarHBondContact O-N 3.07Å; N399-C401 PolarHBondContact OD1-N 2.67Å; N399-C401 VanDerWaalsContact OD1-N 3.13Å; C401-C428 HydrophobicContact CB-CB 3.88Å; C401-C428 WeakPolarHBondContact CB-SG 3.38Å; C401-C428 WeakPolarHBondContact SG-CB 3.5Å; C401-C428 PolarHBondContact SG-N 3.06Å; C401-C428 CovalentContact SG-SG 2.04Å; C401-C428 PolarHBondContact SG-SG 2.99Å | ||
| 402 | G | 63.3 | Low | 70.5 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 22% | 0.216 | 37% | 0.372 | C | S | . | . | trans | -77.5 | 144.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S400 K404 | S400-G402 VanDerWaalsContact C-N 3.26Å; S400-G402 PolarHBondContact O-N 3.26Å; S400-G402 VanDerWaalsContact O-N 3.15Å; G402-K404 PolarHBondContact O-N 2.69Å | ||
| 403 | T | 58.9 | Low | 70.1 | Confident | 91 Ų | 91 | 62 Ų | 62 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | trans | -63.5 | 98.4 | -177.1 | 51 | 0 | 0 | 0 | 0 | 112.8 | G405 A409 | T403-G405 VanDerWaalsContact C-N 3.26Å; T403-G405 PolarHBondContact O-N 2.81Å; T403-A409 HydrophobicContact CG2-CB 4.28Å | ||
| 404 | K | 51.4 | Low | 69.4 | Low | 165 Ų | 165 | 60.5 Ų | 60.5 | 72% | 0.717 | 37% | 0.374 | S | S | * | . | trans | -79.8 | 66.5 | 178.6 | -72.3 | 177.7 | -177.6 | 170.2 | 0 | 112.6 | G402 H406 | G402-K404 PolarHBondContact O-N 2.69Å; K404-H406 PolarHBondContact O-N 2.89Å | ||
| 405 | G | 47 | Very low | 68.4 | Low | 72 Ų | 72 | 62.5 Ų | 62.5 | 74% | 0.742 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 71.4 | -29.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | T403 | T403-G405 VanDerWaalsContact C-N 3.26Å; T403-G405 PolarHBondContact O-N 2.81Å |
| 406 | H | 46.6 | Very low | 67.3 | Low | 186 Ų | 186 | 64.2 Ų | 64.2 | 86% | 0.861 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -136.4 | -4.5 | -177.2 | -79 | -70.5 | 0 | 0 | 0 | 115.1 | K404 | K404-H406 PolarHBondContact O-N 2.89Š|
| 407 | E | 53.9 | Low | 66.6 | Low | 118 Ų | 118 | 65.2 Ų | 65.2 | 55% | 0.551 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -81.7 | 148.4 | -178.8 | -67.8 | 177.3 | 154.7 | 0 | 0 | 112.4 | A409 | E407-A409 PolarHBondContact O-N 2.94Š|
| 408 | T | 59.2 | Low | 65.5 | Low | 52 Ų | 52 | 62.4 Ų | 62.4 | 32% | 0.319 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -70 | 128.8 | 176.8 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | K410 N419 N421 | T408-K410 WeakPolarHBondContact O-CD 3.45Å; T408-K410 VanDerWaalsContact O-CE 3.3Å; T408-K410 WeakPolarHBondContact O-CE 3.41Å; T408-K410 PolarHBondContact OG1-NZ 2.93Å; T408-N419 CarbonylContact C-O 3.37Å; T408-N419 WeakPolarHBondContact CA-O 3.43Å; T408-N419 WeakPolarHBondContact CB-O 3.25Å; T408-N419 WeakPolarHBondContact CG2-O 3.45Å; T408-N421 WeakPolarHBondContact CG2-O 3.45Å |
| 409 | A | 64.5 | Low | 64.9 | Low | 5 Ų | 5 | 63.3 Ų | 63.3 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 138.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T403 E407 A413 N419 T420 | T403-A409 HydrophobicContact CG2-CB 4.28Å; E407-A409 PolarHBondContact O-N 2.94Å; A409-A413 HydrophobicContact CB-CB 4.07Å; A409-N419 PolarHBondContact N-O 2.72Å; A409-T420 HydrophobicContact CB-CG2 3.68Å; A409-T420 WeakPolarHBondContact O-CA 3.34Å |
| 410 | K | 80.7 | Confident | 63.8 | Low | 54 Ų | 54 | 62 Ų | 62 | 24% | 0.235 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -97.6 | 168.1 | -174.7 | -58.2 | -47.6 | -175.5 | -173.7 | 0 | 111.2 | D395 T408 M412 A413 S424 | D395-K410 WeakPolarHBondContact OD2-CB 3.29Å; T408-K410 WeakPolarHBondContact O-CD 3.45Å; T408-K410 VanDerWaalsContact O-CE 3.3Å; T408-K410 WeakPolarHBondContact O-CE 3.41Å; T408-K410 PolarHBondContact OG1-NZ 2.93Å; K410-M412 PolarHBondContact O-N 3.14Å; K410-M412 VanDerWaalsContact O-N 3.14Å; K410-A413 WeakPolarHBondContact O-CB 3.39Å; K410-A413 PolarHBondContact O-N 2.92Å; K410-S424 WeakPolarHBondContact CD-OG 3.33Å; K410-S424 WeakPolarHBondContact CE-OG 3.24Å; K410-S424 PolarHBondContact NZ-OG 3.1Å; K410-S424 VanDerWaalsContact NZ-OG 3.07Å |
| 411 | L | 83.5 | Confident | 62.6 | Low | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.3 | -171.8 | -165.2 | 64.5 | 0 | 0 | 0 | 113.3 | L266 F380 A383 H384 F423 S424 W425 | L266-L411 HydrophobicContact CB-CD2 4.38Å; L266-L411 HydrophobicContact CD1-CD2 4.33Å; L266-L411 HydrophobicContact CD2-CD2 4.49Å; F380-L411 HydrophobicContact CB-CD1 4.09Å; F380-L411 HydrophobicContact CD1-CD1 4.08Å; A383-L411 HydrophobicContact CB-CD2 3.9Å; H384-L411 PolarHBondContact ND1-O 2.99Å; L411-F423 HydrophobicContact CD1-CD1 4.16Å; L411-S424 PolarHBondContact N-O 3.04Å; L411-W425 HydrophobicContact CB-CE3 4.25Å; L411-W425 HydrophobicContact CD2-CD2 4.14Å; L411-W425 HydrophobicContact CD2-CE3 4.13Å; L411-W425 HydrophobicContact CD2-CH2 3.61Å; L411-W425 HydrophobicContact CD2-CZ2 3.59Å; L411-W425 HydrophobicContact CD2-CZ3 3.87Å; L411-W425 HydrophobicContact CG-CZ3 4.47Å |
| 412 | M | 86.4 | Confident | 61.8 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 14 | 173.3 | -60.7 | -53.6 | -55.1 | 0 | 0 | 113.8 | H384 M392 H394 D395 K410 W425 S429 | H384-M412 HydrophobicContact CB-SD 4.42Å; H384-M412 WeakPolarHBondContact O-CE 3.04Å; M392-M412 HydrophobicContact CB-CE 4.05Å; M392-M412 HydrophobicContact CB-CG 4.06Å; M392-M412 HydrophobicContact CB-SD 4.28Å; M392-M412 HydrophobicContact SD-CG 3.69Å; M392-M412 HydrophobicContact SD-SD 3.92Å; H394-M412 CarbonylContact C-O 3.2Å; H394-M412 WeakPolarHBondContact CA-O 3.48Å; D395-M412 PolarHBondContact N-O 3.02Å; D395-M412 WeakPolarHBondContact OD2-CB 3.43Å; K410-M412 PolarHBondContact O-N 3.14Å; K410-M412 VanDerWaalsContact O-N 3.14Å; M412-W425 HydrophobicContact CG-CE3 4.25Å; M412-W425 HydrophobicContact CG-CZ3 4.16Å; M412-W425 HydrophobicContact SD-CZ3 3.98Å; M412-S429 VanDerWaalsContact CG-OG 3.31Å; M412-S429 WeakPolarHBondContact CG-OG 3.39Å |
| 413 | A | 81.4 | Confident | 61.9 | Low | 14 Ų | 14 | 60.5 Ų | 60.5 | 12% | 0.116 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -62.5 | 141.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | H384 A409 K410 H415 | H384-A413 PolarHBondContact CE1-O 3.3Å; A409-A413 HydrophobicContact CB-CB 4.07Å; K410-A413 WeakPolarHBondContact O-CB 3.39Å; K410-A413 PolarHBondContact O-N 2.92Å; A413-H415 PolarHBondContact O-N 3.11Å; A413-H415 VanDerWaalsContact O-N 3.09Å |
| 414 | A | 70.1 | Confident | 62.8 | Low | 36 Ų | 36 | 57.3 Ų | 57.3 | 30% | 0.298 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -63.6 | -17.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H394 I397 | H394-A414 HydrophobicContact CB-CB 4.29Å; I397-A414 HydrophobicContact CD1-CB 4.07Å |
| 415 | H | 65.7 | Low | 64.4 | Low | 85 Ų | 85 | 49.8 Ų | 49.8 | 39% | 0.394 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -138.6 | 140.2 | 176.1 | -59.8 | -23.8 | 0 | 0 | 0 | 110.3 | S177 C178 A413 | S177-H415 PolarHBondContact OG-CD2 2.57Å; S177-H415 PolarHBondContact OG-CE1 3.33Å; S177-H415 VanDerWaalsContact OG-CE1 3.31Å; S177-H415 PolarHBondContact OG-NE2 3.17Å; C178-H415 PolarHBondContact O-CE1 3.27Å; C178-H415 PolarHBondContact O-ND1 2.03Å; A413-H415 PolarHBondContact O-N 3.11Å; A413-H415 VanDerWaalsContact O-N 3.09Å |
| 416 | I | 59.5 | Low | 66.3 | Low | 53 Ų | 53 | 46.7 Ų | 46.7 | 27% | 0.272 | 26% | 0.255 | S | S | . | . | trans | -72.4 | 132.8 | 168.4 | -55.7 | 178.2 | 0 | 0 | 0 | 108.3 | L353 T420 I505 | L353-I416 HydrophobicContact CD1-CD1 3.84Å; I416-T420 HydrophobicContact CG2-CG2 4.39Å; I416-I505 HydrophobicContact CG2-CG1 3.94Å | ||
| 417 | T | 58.3 | Low | 68 | Low | 57 Ų | 57 | 40.9 Ų | 40.9 | 35% | 0.35 | 24% | 0.238 | S | C | . | . | trans | -141.6 | 159.9 | -178.5 | 60.7 | 0 | 0 | 0 | 0 | 110.5 | N419 T420 S504 | T417-N419 PolarHBondContact O-N 2.85Å; T417-T420 VanDerWaalsContact O-CB 3.31Å; T417-T420 WeakPolarHBondContact O-CB 3.34Å; T417-T420 VanDerWaalsContact O-CG2 3.24Å; T417-T420 WeakPolarHBondContact O-CG2 3.06Å; T417-T420 PolarHBondContact O-N 2.71Å; T417-T420 PolarHBondContact O-OG1 3.33Å; T417-S504 CarbonylContact C-O 3.48Å | ||
| 418 | A | 48.5 | Very low | 69.5 | Low | 36 Ų | 36 | 35.9 Ų | 35.9 | 30% | 0.298 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T420 | A418-T420 VanDerWaalsContact C-N 3.3Å; A418-T420 PolarHBondContact O-N 2.73Å |
| 419 | N | 52.9 | Low | 70.9 | Confident | 106 Ų | 106 | 33.4 Ų | 33.4 | 57% | 0.567 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | 18.2 | 173.3 | -64.8 | -16.2 | 0 | 0 | 0 | 113.2 | T408 A409 T417 N421 | T408-N419 CarbonylContact C-O 3.37Å; T408-N419 WeakPolarHBondContact CA-O 3.43Å; T408-N419 WeakPolarHBondContact CB-O 3.25Å; T408-N419 WeakPolarHBondContact CG2-O 3.45Å; A409-N419 PolarHBondContact N-O 2.72Å; T417-N419 PolarHBondContact O-N 2.85Å; N419-N421 PolarHBondContact O-N 3.16Å |
| 420 | T | 53.6 | Low | 72 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | trans | -77.4 | 5.8 | 177.5 | 44.4 | 0 | 0 | 0 | 0 | 114.7 | A409 I416 T417 A418 P422 F423 | A409-T420 HydrophobicContact CB-CG2 3.68Å; A409-T420 WeakPolarHBondContact O-CA 3.34Å; I416-T420 HydrophobicContact CG2-CG2 4.39Å; T417-T420 VanDerWaalsContact O-CB 3.31Å; T417-T420 WeakPolarHBondContact O-CB 3.34Å; T417-T420 VanDerWaalsContact O-CG2 3.24Å; T417-T420 WeakPolarHBondContact O-CG2 3.06Å; T417-T420 PolarHBondContact O-N 2.71Å; T417-T420 PolarHBondContact O-OG1 3.33Å; A418-T420 VanDerWaalsContact C-N 3.3Å; A418-T420 PolarHBondContact O-N 2.73Å; T420-P422 CarbonylContact O-C 3.55Å; T420-P422 VanDerWaalsContact O-C 3.25Å; T420-F423 WeakPolarHBondContact O-CA 3.32Å; T420-F423 WeakPolarHBondContact O-CD1 3.41Å; T420-F423 PolarHBondContact O-N 3.34Å; T420-F423 WeakPolarHBondContact OG1-CE1 3.26Å | ||
| 421 | N | 51.8 | Low | 72.2 | Confident | 28 Ų | 28 | 38.1 Ų | 38.1 | 15% | 0.15 | 23% | 0.225 | C | C | . | . | trans | -112.3 | 130.3 | -163.3 | -147 | -8.1 | 0 | 0 | 0 | 110.9 | T408 N419 C488 P506 G526 | T408-N421 WeakPolarHBondContact CG2-O 3.45Å; N419-N421 PolarHBondContact O-N 3.16Å; N421-C488 PolarHBondContact ND2-O 3.42Å; N421-C488 VanDerWaalsContact ND2-O 3.14Å; N421-P506 VanDerWaalsContact ND2-CB 3.34Å; N421-P506 WeakPolarHBondContact ND2-CB 3.48Å; N421-P506 WeakPolarHBondContact ND2-CG 3.27Å; N421-G526 VanDerWaalsContact CG-CA 3.45Å; N421-G526 WeakPolarHBondContact ND2-CA 3.44Å; N421-G526 VanDerWaalsContact OD1-CA 3.24Å; N421-G526 WeakPolarHBondContact OD1-CA 3.47Å | ||
| 422 | P | 59.7 | Low | 72.4 | Confident | 63 Ų | 63 | 40.6 Ų | 40.6 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | S | Bend | cis | -69 | 145.9 | -6.7 | 30.3 | -36 | 0 | 0 | 0 | 112.4 | T420 S424 Q525 | T420-P422 CarbonylContact O-C 3.55Å; T420-P422 VanDerWaalsContact O-C 3.25Å; P422-S424 VanDerWaalsContact C-N 3.32Å; P422-S424 PolarHBondContact O-N 2.84Å; P422-Q525 HydrophobicContact CB-CB 4.42Å |
| 423 | F | 66.6 | Low | 72.6 | Confident | 32 Ų | 32 | 40.6 Ų | 40.6 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | trans | -65.9 | 85.3 | 177.1 | -68.1 | -79.1 | 0 | 0 | 0 | 111.7 | L266 F380 L411 T420 P506 | L266-F423 HydrophobicContact CD2-CB 3.87Å; F380-F423 HydrophobicContact CD1-CB 4.48Å; F380-F423 AromaticContact CD1-CD1 3.63Å; F380-F423 HydrophobicContact CD1-CD1 3.63Å; F380-F423 HydrophobicContact CD1-CD2 4.05Å; F380-F423 AromaticContact CD1-CE1 3.7Å; F380-F423 HydrophobicContact CD1-CE1 3.7Å; F380-F423 HydrophobicContact CD1-CE2 4.1Å; F380-F423 AromaticContact CD1-CG 3.8Å; F380-F423 HydrophobicContact CD1-CG 3.8Å; F380-F423 AromaticContact CD1-CZ 3.94Å; F380-F423 HydrophobicContact CD1-CZ 3.94Å; F380-F423 HydrophobicContact CD2-CE1 4.13Å; F380-F423 HydrophobicContact CD2-CE2 4.41Å; F380-F423 AromaticContact CD2-CZ 3.89Å; F380-F423 HydrophobicContact CD2-CZ 3.89Å; F380-F423 HydrophobicContact CE1-CB 4.22Å; F380-F423 AromaticContact CE1-CD1 3.8Å; F380-F423 HydrophobicContact CE1-CD1 3.8Å; F380-F423 AromaticContact CE1-CD2 3.31Å; F380-F423 HydrophobicContact CE1-CD2 3.31Å; F380-F423 AromaticContact CE1-CE1 3.89Å; F380-F423 HydrophobicContact CE1-CE1 3.89Å; F380-F423 AromaticContact CE1-CE2 3.4Å; F380-F423 HydrophobicContact CE1-CE2 3.4Å; F380-F423 VanDerWaalsContact CE1-CE2 3.4Å; F380-F423 AromaticContact CE1-CG 3.51Å; F380-F423 HydrophobicContact CE1-CG 3.51Å; F380-F423 AromaticContact CE1-CZ 3.7Å; F380-F423 HydrophobicContact CE1-CZ 3.7Å; F380-F423 HydrophobicContact CE2-CE1 4.3Å; F380-F423 AromaticContact CE2-CE2 3.77Å; F380-F423 HydrophobicContact CE2-CE2 3.77Å; F380-F423 AromaticContact CE2-CZ 3.64Å; F380-F423 HydrophobicContact CE2-CZ 3.64Å; F380-F423 HydrophobicContact CG-CD1 4.22Å; F380-F423 AromaticContact CG-CE1 3.86Å; F380-F423 HydrophobicContact CG-CE1 3.86Å; F380-F423 HydrophobicContact CG-CZ 4.05Å; F380-F423 HydrophobicContact CZ-CD1 4.5Å; F380-F423 AromaticContact CZ-CD2 3.61Å; F380-F423 HydrophobicContact CZ-CD2 3.61Å; F380-F423 HydrophobicContact CZ-CE1 4.2Å; F380-F423 AromaticContact CZ-CE2 3.22Å; F380-F423 HydrophobicContact CZ-CE2 3.22Å; F380-F423 HydrophobicContact CZ-CG 4.23Å; F380-F423 AromaticContact CZ-CZ 3.56Å; F380-F423 HydrophobicContact CZ-CZ 3.56Å; L411-F423 HydrophobicContact CD1-CD1 4.16Å; T420-F423 WeakPolarHBondContact O-CA 3.32Å; T420-F423 WeakPolarHBondContact O-CD1 3.41Å; T420-F423 PolarHBondContact O-N 3.34Å; T420-F423 WeakPolarHBondContact OG1-CE1 3.26Å; F423-P506 HydrophobicContact CE2-CG 3.48Å; F423-P506 VanDerWaalsContact CE2-CG 3.48Å; F423-P506 HydrophobicContact CZ-CG 3.89Å | ||
| 424 | S | 76.9 | Confident | 72.7 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | trans | -105.2 | 154.2 | 173.8 | 89.5 | 0 | 0 | 0 | 0 | 111.1 | S271 K410 L411 P422 | S271-S424 WeakPolarHBondContact OG-CB 3.39Å; K410-S424 WeakPolarHBondContact CD-OG 3.33Å; K410-S424 WeakPolarHBondContact CE-OG 3.24Å; K410-S424 PolarHBondContact NZ-OG 3.1Å; K410-S424 VanDerWaalsContact NZ-OG 3.07Å; L411-S424 PolarHBondContact N-O 3.04Å; P422-S424 VanDerWaalsContact C-N 3.32Å; P422-S424 PolarHBondContact O-N 2.84Å | ||
| 425 | W | 85.8 | Confident | 73.3 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 2% | 0.023 | 25% | 0.246 | C | C | . | . | trans | -70.6 | 160.1 | 164.6 | -56.6 | 92.6 | 0 | 0 | 0 | 109.9 | L266 Y267 S271 L272 M392 L411 M412 | L266-W425 PolarHBondContact O-NE1 3.29Å; Y267-W425 HydrophobicContact CD1-CZ2 4.15Å; Y267-W425 HydrophobicContact CD2-CZ2 4.32Å; Y267-W425 AromaticContact CE1-CH2 3.89Å; Y267-W425 HydrophobicContact CE1-CH2 3.89Å; Y267-W425 AromaticContact CE1-CZ2 3.89Å; Y267-W425 HydrophobicContact CE1-CZ2 3.89Å; Y267-W425 HydrophobicContact CE2-CH2 4.05Å; Y267-W425 HydrophobicContact CE2-CZ2 4.09Å; Y267-W425 HydrophobicContact CG-CZ2 4.35Å; Y267-W425 AromaticContact CZ-CH2 3.56Å; Y267-W425 AromaticContact CZ-CZ2 3.84Å; Y267-W425 WeakPolarHBondContact OH-CH2 3.24Å; S271-W425 PolarHBondContact OG-N 3.34Å; L272-W425 HydrophobicContact CB-CG 4.13Å; L272-W425 HydrophobicContact CD1-CD2 3.7Å; L272-W425 HydrophobicContact CD1-CE3 4.16Å; L272-W425 HydrophobicContact CD1-CG 3.92Å; L272-W425 HydrophobicContact CD1-CZ2 4.2Å; M392-W425 HydrophobicContact CE-CE3 3.86Å; M392-W425 HydrophobicContact CE-CH2 4.24Å; M392-W425 HydrophobicContact CE-CZ3 3.64Å; M392-W425 HydrophobicContact SD-CE3 3.7Å; M392-W425 HydrophobicContact SD-CH2 4.43Å; M392-W425 HydrophobicContact SD-CZ3 3.42Å; M392-W425 WeakPolarHBondContact SD-CZ3 3.23Å; L411-W425 HydrophobicContact CB-CE3 4.25Å; L411-W425 HydrophobicContact CD2-CD2 4.14Å; L411-W425 HydrophobicContact CD2-CE3 4.13Å; L411-W425 HydrophobicContact CD2-CH2 3.61Å; L411-W425 HydrophobicContact CD2-CZ2 3.59Å; L411-W425 HydrophobicContact CD2-CZ3 3.87Å; L411-W425 HydrophobicContact CG-CZ3 4.47Å; M412-W425 HydrophobicContact CG-CE3 4.25Å; M412-W425 HydrophobicContact CG-CZ3 4.16Å; M412-W425 HydrophobicContact SD-CZ3 3.98Å | ||
| 426 | S | 86 | Confident | 74.2 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | trans | -89.8 | 167.1 | 172.3 | 71.6 | 0 | 0 | 0 | 0 | 111.8 | D395 C428 S429 K430 | D395-S426 VanDerWaalsContact CG-OG 3.23Å; D395-S426 WeakPolarHBondContact OD1-CB 3.26Å; D395-S426 PolarHBondContact OD1-OG 3.11Å; D395-S426 WeakPolarHBondContact OD2-CB 3.32Å; D395-S426 PolarHBondContact OD2-OG 3Å; S426-C428 VanDerWaalsContact C-N 3.27Å; S426-C428 PolarHBondContact O-N 3.32Å; S426-C428 PolarHBondContact OG-N 3.06Å; S426-S429 PolarHBondContact N-OG 3.06Å; S426-S429 WeakPolarHBondContact O-CB 3.42Å; S426-S429 PolarHBondContact O-N 3.23Å; S426-S429 WeakPolarHBondContact OG-CB 3.44Å; S426-S429 PolarHBondContact OG-N 3.31Å; S426-S429 PolarHBondContact OG-OG 3.25Å; S426-K430 PolarHBondContact O-N 3.04Å | ||
| 427 | A | 83 | Confident | 75.5 | Confident | 63 Ų | 63 | 37.1 Ų | 37.1 | 52% | 0.521 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57 | -44.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S429 K430 D431 | A427-S429 PolarHBondContact O-N 2.91Å; A427-K430 WeakPolarHBondContact O-CB 3.39Å; A427-K430 PolarHBondContact O-N 2.97Å; A427-D431 WeakPolarHBondContact O-CB 3.49Å; A427-D431 VanDerWaalsContact O-CG 3.24Å; A427-D431 PolarHBondContact O-N 3.48Å |
| 428 | C | 86.1 | Confident | 76.4 | Confident | 13 Ų | 13 | 35 Ų | 35 | 9% | 0.088 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 176.4 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | N399 C401 S426 K430 D431 Y432 | N399-C428 HydrophobicContact CB-CB 4.49Å; C401-C428 HydrophobicContact CB-CB 3.88Å; C401-C428 WeakPolarHBondContact CB-SG 3.38Å; C401-C428 WeakPolarHBondContact SG-CB 3.5Å; C401-C428 PolarHBondContact SG-N 3.06Å; C401-C428 CovalentContact SG-SG 2.04Å; C401-C428 PolarHBondContact SG-SG 2.99Å; S426-C428 VanDerWaalsContact C-N 3.27Å; S426-C428 PolarHBondContact O-N 3.32Å; S426-C428 PolarHBondContact OG-N 3.06Å; C428-K430 PolarHBondContact O-N 2.96Å; C428-D431 PolarHBondContact O-N 2.86Å; C428-Y432 HydrophobicContact CB-CD2 4.43Å; C428-Y432 HydrophobicContact CB-CE2 4.04Å; C428-Y432 WeakPolarHBondContact O-CB 3.2Å; C428-Y432 WeakPolarHBondContact O-CD2 3.12Å; C428-Y432 VanDerWaalsContact O-CG 3.29Å; C428-Y432 PolarHBondContact O-N 2.92Å |
| 429 | S | 89.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.6 | -48.7 | 175.7 | -60 | 0 | 0 | 0 | 0 | 111.7 | M412 S426 A427 Y432 I433 | M412-S429 VanDerWaalsContact CG-OG 3.31Å; M412-S429 WeakPolarHBondContact CG-OG 3.39Å; S426-S429 PolarHBondContact N-OG 3.06Å; S426-S429 WeakPolarHBondContact O-CB 3.42Å; S426-S429 PolarHBondContact O-N 3.23Å; S426-S429 WeakPolarHBondContact OG-CB 3.44Å; S426-S429 PolarHBondContact OG-N 3.31Å; S426-S429 PolarHBondContact OG-OG 3.25Å; A427-S429 PolarHBondContact O-N 2.91Å; S429-Y432 PolarHBondContact O-N 2.87Å; S429-I433 WeakPolarHBondContact O-CG2 3.49Å; S429-I433 PolarHBondContact O-N 3.48Å; S429-I433 VanDerWaalsContact O-N 3.13Å |
| 430 | K | 86.9 | Confident | 78.4 | Confident | 63 Ų | 63 | 30.3 Ų | 30.3 | 27% | 0.274 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.9 | -42 | 176.4 | 164.9 | 178.1 | 168.6 | -168.4 | 0 | 112.2 | S426 A427 C428 I433 T434 | S426-K430 PolarHBondContact O-N 3.04Å; A427-K430 WeakPolarHBondContact O-CB 3.39Å; A427-K430 PolarHBondContact O-N 2.97Å; C428-K430 PolarHBondContact O-N 2.96Å; K430-I433 WeakPolarHBondContact O-CG2 3.41Å; K430-T434 WeakPolarHBondContact O-CB 3.17Å; K430-T434 PolarHBondContact O-N 2.05Å; K430-T434 PolarHBondContact O-OG1 2.99Å |
| 431 | D | 84.6 | Confident | 79.4 | Confident | 96 Ų | 96 | 33.7 Ų | 33.7 | 51% | 0.513 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -71.5 | -39.6 | -179.6 | -67.1 | -21.7 | 0 | 0 | 0 | 111.5 | A427 C428 T434 S435 | A427-D431 WeakPolarHBondContact O-CB 3.49Å; A427-D431 VanDerWaalsContact O-CG 3.24Å; A427-D431 PolarHBondContact O-N 3.48Å; C428-D431 PolarHBondContact O-N 2.86Å; D431-T434 PolarHBondContact O-N 2.79Å; D431-S435 VanDerWaalsContact O-CB 3.3Å; D431-S435 WeakPolarHBondContact O-CB 3.47Å; D431-S435 PolarHBondContact O-N 3.03Å |
| 432 | Y | 88 | Confident | 80.7 | Confident | 64 Ų | 64 | 32.4 Ų | 32.4 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59 | -53.1 | 174 | -71.3 | -50.9 | 0 | 0 | 0 | 111.8 | M392 N393 N399 C428 S429 S435 F436 | M392-Y432 HydrophobicContact CB-CD2 4.16Å; N393-Y432 HydrophobicContact CB-CE2 3.99Å; N399-Y432 PolarHBondContact ND2-OH 2.72Å; C428-Y432 HydrophobicContact CB-CD2 4.43Å; C428-Y432 HydrophobicContact CB-CE2 4.04Å; C428-Y432 WeakPolarHBondContact O-CB 3.2Å; C428-Y432 WeakPolarHBondContact O-CD2 3.12Å; C428-Y432 VanDerWaalsContact O-CG 3.29Å; C428-Y432 PolarHBondContact O-N 2.92Å; S429-Y432 PolarHBondContact O-N 2.87Å; Y432-S435 PolarHBondContact O-N 3.44Å; Y432-F436 WeakPolarHBondContact O-CB 3.45Å; Y432-F436 PolarHBondContact O-N 2.99Å |
| 433 | I | 89.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.4 | -34 | 179.6 | -168.1 | 172.9 | 0 | 0 | 0 | 112.4 | L272 V276 F390 M392 S429 K430 S435 F436 L437 | L272-I433 HydrophobicContact CD1-CD1 4.07Å; L272-I433 HydrophobicContact CD1-CG2 3.79Å; L272-I433 HydrophobicContact CD2-CD1 4.35Å; L272-I433 HydrophobicContact CG-CD1 4.43Å; L272-I433 HydrophobicContact CG-CG2 4.31Å; V276-I433 HydrophobicContact CG2-CD1 4.1Å; F390-I433 HydrophobicContact CB-CB 4.48Å; F390-I433 HydrophobicContact CB-CD1 4.13Å; F390-I433 HydrophobicContact CB-CG1 4.08Å; F390-I433 HydrophobicContact CD1-CD1 3.66Å; F390-I433 HydrophobicContact CD1-CG1 3.71Å; F390-I433 HydrophobicContact CD2-CD1 3.82Å; F390-I433 HydrophobicContact CE1-CD1 3.93Å; F390-I433 HydrophobicContact CE1-CG1 4.26Å; F390-I433 HydrophobicContact CE2-CD1 4.09Å; F390-I433 HydrophobicContact CG-CD1 3.6Å; F390-I433 HydrophobicContact CG-CG1 3.9Å; F390-I433 HydrophobicContact CZ-CD1 4.14Å; M392-I433 HydrophobicContact CE-CB 3.73Å; M392-I433 HydrophobicContact CE-CD1 4.03Å; M392-I433 HydrophobicContact CE-CG1 4.41Å; M392-I433 HydrophobicContact CE-CG2 3.94Å; S429-I433 WeakPolarHBondContact O-CG2 3.49Å; S429-I433 PolarHBondContact O-N 3.48Å; S429-I433 VanDerWaalsContact O-N 3.13Å; K430-I433 WeakPolarHBondContact O-CG2 3.41Å; I433-S435 VanDerWaalsContact C-N 3.34Å; I433-S435 PolarHBondContact O-N 2.82Å; I433-F436 PolarHBondContact O-N 2.78Å; I433-L437 HydrophobicContact CD1-CD1 4.46Å; I433-L437 HydrophobicContact CG1-CD1 3.97Å; I433-L437 HydrophobicContact CG1-CG 4.17Å; I433-L437 WeakPolarHBondContact O-CB 3.25Å; I433-L437 VanDerWaalsContact O-CG 3.31Å; I433-L437 WeakPolarHBondContact O-CG 3.47Å; I433-L437 PolarHBondContact O-N 2.03Å |
| 434 | T | 84.4 | Confident | 82.3 | Confident | 27 Ų | 27 | 32.6 Ų | 32.6 | 17% | 0.166 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 172.3 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | N274 K430 D431 L437 D438 | N274-T434 PolarHBondContact ND2-OG1 3.4Å; K430-T434 WeakPolarHBondContact O-CB 3.17Å; K430-T434 PolarHBondContact O-N 2.05Å; K430-T434 PolarHBondContact O-OG1 2.99Å; D431-T434 PolarHBondContact O-N 2.79Å; T434-L437 PolarHBondContact O-N 2.99Å; T434-D438 WeakPolarHBondContact O-CB 3.37Å; T434-D438 PolarHBondContact O-N 3.2Å |
| 435 | S | 82.2 | Confident | 82.8 | Confident | 70 Ų | 70 | 31.5 Ų | 31.5 | 49% | 0.49 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 175.9 | -173.5 | 0 | 0 | 0 | 0 | 112 | D431 Y432 I433 L437 S439 | D431-S435 VanDerWaalsContact O-CB 3.3Å; D431-S435 WeakPolarHBondContact O-CB 3.47Å; D431-S435 PolarHBondContact O-N 3.03Å; Y432-S435 PolarHBondContact O-N 3.44Å; I433-S435 VanDerWaalsContact C-N 3.34Å; I433-S435 PolarHBondContact O-N 2.82Å; S435-L437 PolarHBondContact O-N 2.85Å; S435-S439 WeakPolarHBondContact O-CB 3.42Å; S435-S439 PolarHBondContact O-N 3.16Å; S435-S439 PolarHBondContact O-OG 2.82Å |
| 436 | F | 85.6 | Confident | 82.3 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 176.8 | -174.4 | -84.4 | 0 | 0 | 0 | 112.9 | A359 M361 F390 Y432 I433 S439 R441 | A359-F436 HydrophobicContact CB-CD2 4.43Å; A359-F436 HydrophobicContact CB-CE2 4.22Å; M361-F436 HydrophobicContact CB-CE1 3.99Å; M361-F436 HydrophobicContact CB-CZ 3.7Å; M361-F436 HydrophobicContact CG-CE1 4.19Å; M361-F436 HydrophobicContact CG-CZ 4.35Å; M361-F436 WeakPolarHBondContact O-CZ 3.13Å; F390-F436 AromaticContact CD1-CD1 3.95Å; F390-F436 HydrophobicContact CD1-CD1 3.95Å; F390-F436 HydrophobicContact CD1-CE1 4.17Å; F390-F436 WeakPolarHBondContact O-CB 3.47Å; F390-F436 VanDerWaalsContact O-CD2 3.22Å; F390-F436 WeakPolarHBondContact O-CD2 3.49Å; F390-F436 VanDerWaalsContact O-CG 3.27Å; F390-F436 WeakPolarHBondContact O-CG 3.39Å; Y432-F436 WeakPolarHBondContact O-CB 3.45Å; Y432-F436 PolarHBondContact O-N 2.99Å; I433-F436 PolarHBondContact O-N 2.78Å; F436-S439 WeakPolarHBondContact CA-OG 3.46Å; F436-S439 PolarHBondContact O-OG 2.82Å; F436-S439 VanDerWaalsContact O-OG 3.07Å; F436-R441 HydrophobicContact CD1-CB 4.13Å; F436-R441 HydrophobicContact CD2-CB 4.07Å; F436-R441 HydrophobicContact CE1-CB 3.75Å; F436-R441 HydrophobicContact CE2-CB 3.69Å; F436-R441 HydrophobicContact CE2-CG 4.49Å; F436-R441 HydrophobicContact CG-CB 4.26Å; F436-R441 HydrophobicContact CZ-CB 3.48Å; F436-R441 VanDerWaalsContact CZ-CB 3.48Å; F436-R441 PolarHBondContact O-N 3.42Å |
| 437 | L | 86 | Confident | 81.5 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.2 | -45.7 | 179.5 | -67.7 | 175.4 | 0 | 0 | 0 | 112 | R231 N274 F390 I433 T434 S435 S439 G440 L445 | R231-L437 HydrophobicContact CG-CD1 4.17Å; R231-L437 HydrophobicContact CG-CD2 4Å; N274-L437 HydrophobicContact CB-CD1 4.08Å; F390-L437 HydrophobicContact CE1-CD2 4.33Å; I433-L437 HydrophobicContact CD1-CD1 4.46Å; I433-L437 HydrophobicContact CG1-CD1 3.97Å; I433-L437 HydrophobicContact CG1-CG 4.17Å; I433-L437 WeakPolarHBondContact O-CB 3.25Å; I433-L437 VanDerWaalsContact O-CG 3.31Å; I433-L437 WeakPolarHBondContact O-CG 3.47Å; I433-L437 PolarHBondContact O-N 2.03Å; T434-L437 PolarHBondContact O-N 2.99Å; S435-L437 PolarHBondContact O-N 2.85Å; L437-S439 VanDerWaalsContact C-N 3.3Å; L437-S439 PolarHBondContact O-N 3.08Å; L437-G440 WeakPolarHBondContact O-CA 3.13Å; L437-G440 PolarHBondContact O-N 2.82Å; L437-L445 HydrophobicContact CD2-CD1 4.29Å |
| 438 | D | 77.6 | Confident | 80.6 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 6% | 0.059 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73 | -22.1 | 179.2 | -73.5 | -0.2 | 0 | 0 | 0 | 112.4 | R225 S226 T434 G440 R582 N666 | R225-D438 WeakPolarHBondContact CD-O 3.43Å; R225-D438 PolarHBondContact NH1-O 3.13Å; S226-D438 WeakPolarHBondContact CA-OD1 3.35Å; S226-D438 VanDerWaalsContact CA-OD2 3.23Å; S226-D438 WeakPolarHBondContact CA-OD2 3.33Å; S226-D438 VanDerWaalsContact CB-OD2 3.32Å; S226-D438 WeakPolarHBondContact CB-OD2 3.38Å; S226-D438 PolarHBondContact OG-OD2 2.94Å; T434-D438 WeakPolarHBondContact O-CB 3.37Å; T434-D438 PolarHBondContact O-N 3.2Å; D438-G440 PolarHBondContact O-N 3.35Å; D438-R582 IonicContact OD1-CZ 2.68Å; D438-R582 IonicContact OD1-NE 2.69Å; D438-R582 PolarHBondContact OD1-NE 3.08Å; D438-R582 IonicContact OD1-NH2 2.97Å; D438-R582 PolarHBondContact OD1-NH2 3.32Å; D438-R582 IonicContact OD2-CZ 2.7Å; D438-R582 IonicContact OD2-NE 3.67Å; D438-R582 PolarHBondContact OD2-NE 3.43Å; D438-R582 IonicContact OD2-NH2 2.75Å; D438-N666 WeakPolarHBondContact CB-ND2 3.31Å; D438-N666 PolarHBondContact O-ND2 3.49Å |
| 439 | S | 71.8 | Confident | 79.2 | Confident | 31 Ų | 31 | 37.3 Ų | 37.3 | 22% | 0.217 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -0.1 | 166.4 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | R225 S435 F436 L437 R441 N666 | R225-S439 PolarHBondContact NH1-O 3.42Å; R225-S439 PolarHBondContact NH2-O 3.43Å; S435-S439 WeakPolarHBondContact O-CB 3.42Å; S435-S439 PolarHBondContact O-N 3.16Å; S435-S439 PolarHBondContact O-OG 2.82Å; F436-S439 WeakPolarHBondContact CA-OG 3.46Å; F436-S439 PolarHBondContact O-OG 2.82Å; F436-S439 VanDerWaalsContact O-OG 3.07Å; L437-S439 VanDerWaalsContact C-N 3.3Å; L437-S439 PolarHBondContact O-N 3.08Å; S439-R441 VanDerWaalsContact C-N 3.25Å; S439-R441 PolarHBondContact O-N 3.32Å; S439-N666 PolarHBondContact N-ND2 2.98Å |
| 440 | G | 71.7 | Confident | 77.1 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 15.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L437 D438 G442 T443 | L437-G440 WeakPolarHBondContact O-CA 3.13Å; L437-G440 PolarHBondContact O-N 2.82Å; D438-G440 PolarHBondContact O-N 3.35Å; G440-G442 VanDerWaalsContact C-N 3.34Å; G440-T443 WeakPolarHBondContact O-CB 3.24Å; G440-T443 WeakPolarHBondContact O-CG2 3.18Å; G440-T443 PolarHBondContact O-OG1 3.31Å |
| 441 | R | 74.7 | Confident | 74.5 | Confident | 75 Ų | 75 | 45.7 Ų | 45.7 | 28% | 0.283 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -32.5 | 175.5 | -61.2 | -175.9 | 66.6 | -160.8 | -4.7 | 111.4 | A359 C362 E363 F436 S439 T443 | A359-R441 VanDerWaalsContact CB-NH1 3.32Å; A359-R441 PolarHBondContact O-NH2 3.1Å; C362-R441 WeakPolarHBondContact CB-O 3.46Å; C362-R441 PolarHBondContact SG-O 2.93Å; C362-R441 VanDerWaalsContact SG-O 3.41Å; E363-R441 IonicContact OE1-CZ 3.24Å; E363-R441 IonicContact OE1-NH2 3.78Å; E363-R441 PolarHBondContact OE1-NH2 2.86Å; F436-R441 HydrophobicContact CD1-CB 4.13Å; F436-R441 HydrophobicContact CD2-CB 4.07Å; F436-R441 HydrophobicContact CE1-CB 3.75Å; F436-R441 HydrophobicContact CE2-CB 3.69Å; F436-R441 HydrophobicContact CE2-CG 4.49Å; F436-R441 HydrophobicContact CG-CB 4.26Å; F436-R441 HydrophobicContact CZ-CB 3.48Å; F436-R441 VanDerWaalsContact CZ-CB 3.48Å; F436-R441 PolarHBondContact O-N 3.42Å; S439-R441 VanDerWaalsContact C-N 3.25Å; S439-R441 PolarHBondContact O-N 3.32Å; R441-T443 PolarHBondContact O-N 2.89Å |
| 442 | G | 79.4 | Confident | 72 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 30.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G440 C444 L445 | G440-G442 VanDerWaalsContact C-N 3.34Å; G442-C444 VanDerWaalsContact C-N 3.3Å; G442-C444 PolarHBondContact O-N 3.2Å; G442-L445 WeakPolarHBondContact O-CB 3.1Å; G442-L445 PolarHBondContact O-N 3.33Å; G442-L445 VanDerWaalsContact O-N 3.07Å |
| 443 | T | 77.8 | Confident | 69.3 | Low | 70 Ų | 70 | 53.9 Ų | 53.9 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -72.5 | -17.7 | -174.9 | 26.8 | 0 | 0 | 0 | 0 | 114.4 | G440 R441 | G440-T443 WeakPolarHBondContact O-CB 3.24Å; G440-T443 WeakPolarHBondContact O-CG2 3.18Å; G440-T443 PolarHBondContact O-OG1 3.31Å; R441-T443 PolarHBondContact O-N 2.89Å |
| 444 | C | 82.4 | Confident | 66.7 | Low | 29 Ų | 29 | 57.9 Ų | 57.9 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -71.7 | -19 | 167.9 | 74.2 | 0 | 0 | 0 | 0 | 112.8 | D332 C362 G442 D446 N447 | D332-C444 PolarHBondContact OD1-SG 2.82Å; C362-C444 WeakPolarHBondContact CA-SG 3.31Å; C362-C444 HydrophobicContact CB-CB 3.88Å; C362-C444 WeakPolarHBondContact CB-SG 3.33Å; C362-C444 WeakPolarHBondContact SG-CB 3.46Å; C362-C444 PolarHBondContact SG-N 3.16Å; C362-C444 VanDerWaalsContact SG-N 3.42Å; C362-C444 CovalentContact SG-SG 2.03Å; C362-C444 PolarHBondContact SG-SG 2.96Å; G442-C444 VanDerWaalsContact C-N 3.3Å; G442-C444 PolarHBondContact O-N 3.2Å; C444-D446 VanDerWaalsContact C-N 3.31Å; C444-D446 PolarHBondContact O-N 2.69Å; C444-N447 VanDerWaalsContact O-CG 3.22Å; C444-N447 PolarHBondContact O-ND2 2.66Å; C444-N447 PolarHBondContact O-OD1 2.88Å |
| 445 | L | 85.7 | Confident | 64.1 | Low | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -90.3 | 3.4 | -175.9 | -46.4 | 178.7 | 0 | 0 | 0 | 113 | R231 F232 V233 D332 M361 F390 L437 G442 | R231-L445 WeakPolarHBondContact CA-O 3.35Å; R231-L445 HydrophobicContact CB-CB 4.16Å; F232-L445 PolarHBondContact N-O 2.88Å; F232-L445 VanDerWaalsContact O-CA 3.24Å; F232-L445 WeakPolarHBondContact O-CA 3.08Å; F232-L445 VanDerWaalsContact O-CB 3.26Å; F232-L445 WeakPolarHBondContact O-CB 3.25Å; F232-L445 VanDerWaalsContact O-CD2 3.24Å; F232-L445 WeakPolarHBondContact O-CD2 3.49Å; V233-L445 HydrophobicContact CB-CD2 4.4Å; V233-L445 HydrophobicContact CG1-CD2 4.42Å; V233-L445 HydrophobicContact CG2-CD1 4.29Å; V233-L445 HydrophobicContact CG2-CD2 4.08Å; D332-L445 HydrophobicContact CB-CD2 3.72Å; M361-L445 HydrophobicContact CG-CD1 3.98Å; M361-L445 HydrophobicContact CG-CD2 4.44Å; M361-L445 HydrophobicContact SD-CD1 4.41Å; M361-L445 HydrophobicContact SD-CD2 4.01Å; F390-L445 HydrophobicContact CE1-CD1 3.53Å; F390-L445 HydrophobicContact CZ-CD1 3.83Å; L437-L445 HydrophobicContact CD2-CD1 4.29Å; G442-L445 WeakPolarHBondContact O-CB 3.1Å; G442-L445 PolarHBondContact O-N 3.33Å; G442-L445 VanDerWaalsContact O-N 3.07Å |
| 446 | D | 76.9 | Confident | 61.8 | Low | 46 Ų | 46 | 63.4 Ų | 63.4 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -87.6 | -9.3 | -178.8 | -73.2 | -28.2 | 0 | 0 | 0 | 112.7 | R223 R231 C444 | R223-D446 IonicContact CZ-OD2 2.66Å; R223-D446 IonicContact NE-OD2 3.29Å; R223-D446 IonicContact NH1-OD2 2.88Å; R223-D446 PolarHBondContact NH1-OD2 3.43Å; R231-D446 WeakPolarHBondContact CD-OD1 3.48Å; R231-D446 IonicContact CZ-OD1 2.7Å; R231-D446 IonicContact NE-OD1 3.24Å; R231-D446 PolarHBondContact NE-OD1 3.26Å; R231-D446 IonicContact NH1-OD1 3.81Å; R231-D446 PolarHBondContact NH1-OD1 2.6Å; R231-D446 IonicContact NH2-OD1 3.88Å; R231-D446 PolarHBondContact NH2-OD1 2.89Å; R231-D446 VanDerWaalsContact NH2-OD1 3.16Å; C444-D446 VanDerWaalsContact C-N 3.31Å; C444-D446 PolarHBondContact O-N 2.69Å |
| 447 | N | 68.3 | Low | 59.5 | Low | 55 Ų | 55 | 66.3 Ų | 66.3 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | trans | -84.9 | 112.9 | 173.3 | 32.2 | -102.9 | 0 | 0 | 0 | 111.3 | C444 P449 | C444-N447 VanDerWaalsContact O-CG 3.22Å; C444-N447 PolarHBondContact O-ND2 2.66Å; C444-N447 PolarHBondContact O-OD1 2.88Å; N447-P449 WeakPolarHBondContact O-CD 3.43Å | ||
| 448 | E | 63.9 | Low | 57.4 | Low | 87 Ų | 87 | 71 Ų | 71 | 41% | 0.407 | 37% | 0.366 | S | S | . | . | trans | -69.7 | 117.2 | 168.4 | 176.8 | 163.5 | -98.7 | 0 | 0 | 110.6 | F232 K451 | F232-E448 HydrophobicContact CD2-CB 4.16Å; F232-E448 HydrophobicContact CE2-CB 3.7Å; F232-E448 HydrophobicContact CE2-CG 4.07Å; F232-E448 HydrophobicContact CZ-CB 4.11Å; F232-E448 HydrophobicContact CZ-CG 3.95Å; F232-E448 WeakPolarHBondContact CZ-OE1 3.43Å; E448-K451 HydrophobicContact CG-CG 4.32Å; E448-K451 WeakPolarHBondContact OE1-CE 3.46Å; E448-K451 IonicContact OE1-NZ 3.87Å; E448-K451 PolarHBondContact OE1-NZ 3.11Å; E448-K451 WeakPolarHBondContact OE2-CD 3.29Å; E448-K451 VanDerWaalsContact OE2-CE 3.24Å; E448-K451 WeakPolarHBondContact OE2-CE 3.25Å; E448-K451 IonicContact OE2-NZ 3.47Å; E448-K451 PolarHBondContact OE2-NZ 2.94Å | ||
| 449 | P | 56.9 | Low | 56 | Low | 25 Ų | 25 | 73.3 Ų | 73.3 | 16% | 0.162 | 38% | 0.381 | C | S | . | . | trans | -67.6 | 149 | 176.4 | 27.3 | -32.6 | 0 | 0 | 0 | 110.6 | F232 I279 N447 K451 | F232-P449 HydrophobicContact CD1-CG 4.46Å; I279-P449 HydrophobicContact CD1-CG 3.57Å; N447-P449 WeakPolarHBondContact O-CD 3.43Å; P449-K451 PolarHBondContact O-N 3.39Å | ||
| 450 | P | 45.1 | Very low | 55.3 | Low | 94 Ų | 94 | 72.8 Ų | 72.8 | 61% | 0.61 | 38% | 0.378 | S | S | * | . | trans | -59 | 104 | -165.8 | 20.3 | -32.9 | 0 | 0 | 0 | 113.3 | ||||
| 451 | K | 32.4 | Very low | 54.7 | Low | 145 Ų | 145 | 72.9 Ų | 72.9 | 63% | 0.63 | 38% | 0.376 | S | S | * | . | trans | -49.6 | 141.6 | -171.1 | -88.4 | 175.4 | 162.5 | 139.3 | 0 | 115.4 | E448 P449 | E448-K451 HydrophobicContact CG-CG 4.32Å; E448-K451 WeakPolarHBondContact OE1-CE 3.46Å; E448-K451 IonicContact OE1-NZ 3.87Å; E448-K451 PolarHBondContact OE1-NZ 3.11Å; E448-K451 WeakPolarHBondContact OE2-CD 3.29Å; E448-K451 VanDerWaalsContact OE2-CE 3.24Å; E448-K451 WeakPolarHBondContact OE2-CE 3.25Å; E448-K451 IonicContact OE2-NZ 3.47Å; E448-K451 PolarHBondContact OE2-NZ 2.94Å; P449-K451 PolarHBondContact O-N 3.39Å | ||
| 452 | R | 33.1 | Very low | 54.2 | Low | 192 Ų | 192 | 69.6 Ų | 69.6 | 73% | 0.725 | 37% | 0.365 | S | S | * | . | trans | -144.1 | 141 | 142.8 | -162.5 | 179.7 | -167.9 | -169.6 | 4.9 | 108.2 | F454 | R452-F454 PolarHBondContact O-N 2.7Š| ||
| 453 | D | 31.1 | Very low | 53.5 | Low | 139 Ų | 139 | 73.6 Ų | 73.6 | 74% | 0.743 | 38% | 0.384 | S | S | * | . | trans | -61.2 | 106.9 | -170.3 | -54.6 | -68.9 | 0 | 0 | 0 | 112.6 | N74 | N74-D453 PolarHBondContact ND2-O 2.81Š| ||
| 454 | F | 34.3 | Very low | 52.5 | Low | 84 Ų | 84 | 74.5 Ų | 74.5 | 37% | 0.368 | 39% | 0.389 | S | S | . | . | trans | -103.7 | 93.8 | -174.4 | -160.8 | -80.5 | 0 | 0 | 0 | 110.2 | N74 R452 Y456 | N74-F454 HydrophobicContact CB-CD2 4.28Å; N74-F454 HydrophobicContact CB-CE2 4.29Å; R452-F454 PolarHBondContact O-N 2.7Å; F454-Y456 HydrophobicContact CD1-CD2 4.08Å; F454-Y456 HydrophobicContact CD1-CE2 4.24Å; F454-Y456 HydrophobicContact CD1-CG 4.47Å; F454-Y456 PolarHBondContact O-N 3.16Å | ||
| 455 | L | 30.1 | Very low | 51.6 | Low | 150 Ų | 150 | 74.4 Ų | 74.4 | 79% | 0.785 | 39% | 0.385 | S | S | * | . | trans | -73.9 | 119.3 | 160.2 | -75.8 | 167 | 0 | 0 | 0 | 108.3 | ||||
| 456 | Y | 34.3 | Very low | 50.7 | Low | 63 Ų | 63 | 78.4 Ų | 78.4 | 25% | 0.247 | 41% | 0.406 | C | S | . | . | trans | -58.4 | 159 | 174.4 | -74.4 | -114 | 0 | 0 | 0 | 110.1 | A264 R268 F454 T458 | A264-Y456 HydrophobicContact CB-CE1 4.18Å; R268-Y456 PolarHBondContact NE-OH 2.67Å; F454-Y456 HydrophobicContact CD1-CD2 4.08Å; F454-Y456 HydrophobicContact CD1-CE2 4.24Å; F454-Y456 HydrophobicContact CD1-CG 4.47Å; F454-Y456 PolarHBondContact O-N 3.16Å; Y456-T458 PolarHBondContact O-N 2.04Å | ||
| 457 | P | 36 | Very low | 50.6 | Low | 68 Ų | 68 | 76.5 Ų | 76.5 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | trans | -53.6 | 111.6 | 167 | -21.7 | 32.9 | 0 | 0 | 0 | 109.3 | V459 | P457-V459 PolarHBondContact O-N 2.83Š| ||
| 458 | T | 41.8 | Very low | 50.8 | Low | 112 Ų | 112 | 75.5 Ų | 75.5 | 69% | 0.687 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -75.8 | 34.2 | 175.3 | 72.7 | 0 | 0 | 0 | 0 | 111 | Y456 | Y456-T458 PolarHBondContact O-N 2.04Š|
| 459 | V | 49.4 | Very low | 51.2 | Low | 59 Ų | 59 | 74.3 Ų | 74.3 | 36% | 0.358 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -136.6 | 104.8 | -165.8 | -159.5 | 0 | 0 | 0 | 0 | 103.7 | P457 Q463 V464 | P457-V459 PolarHBondContact O-N 2.83Å; V459-Q463 VanDerWaalsContact CA-OE1 3.31Å; V459-Q463 HydrophobicContact CG1-CB 3.9Å; V459-V464 HydrophobicContact CG1-CG2 4.49Å |
| 460 | A | 55.5 | Low | 52 | Low | 19 Ų | 19 | 73.5 Ų | 73.5 | 16% | 0.157 | 38% | 0.38 | C | S | . | . | trans | -71.2 | 153.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | G462 Q463 E509 W522 | A460-G462 PolarHBondContact O-N 3.03Å; A460-G462 VanDerWaalsContact O-N 3.09Å; A460-Q463 WeakPolarHBondContact O-CA 3.07Å; A460-Q463 VanDerWaalsContact O-CB 3.29Å; A460-Q463 WeakPolarHBondContact O-CB 3.09Å; A460-Q463 PolarHBondContact O-N 3.05Å; A460-E509 CarbonylContact C-O 3.53Å; A460-E509 VanDerWaalsContact C-O 3.3Å; A460-E509 VanDerWaalsContact CB-C 3.48Å; A460-E509 HydrophobicContact CB-CB 3.94Å; A460-E509 WeakPolarHBondContact CB-O 3.19Å; A460-W522 HydrophobicContact CB-CZ3 4.31Å | ||
| 461 | P | 59.9 | Low | 53.4 | Low | 17 Ų | 17 | 69 Ų | 69 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -60.8 | -30.5 | -165.4 | -19.9 | 29.4 | 0 | 0 | 0 | 113.8 | I262 L376 Q463 V464 Y465 A508 | I262-P461 HydrophobicContact CD1-CB 4.16Å; I262-P461 HydrophobicContact CD1-CG 3.89Å; I262-P461 HydrophobicContact CG1-CB 4.43Å; I262-P461 HydrophobicContact CG1-CG 3.64Å; L376-P461 HydrophobicContact CD1-CB 4.18Å; P461-Q463 PolarHBondContact O-N 2.96Å; P461-V464 WeakPolarHBondContact O-CB 3.3Å; P461-V464 PolarHBondContact O-N 2.93Å; P461-Y465 PolarHBondContact O-N 2.85Å; P461-A508 HydrophobicContact CB-CB 4.06Å |
| 462 | G | 65.1 | Low | 55.6 | Low | 5 Ų | 5 | 65.4 Ų | 65.4 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -68.7 | -12.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A460 Y465 E509 G510 T511 | A460-G462 PolarHBondContact O-N 3.03Å; A460-G462 VanDerWaalsContact O-N 3.09Å; G462-Y465 CarbonylContact C-O 3.56Å; G462-Y465 VanDerWaalsContact CA-O 3.28Å; G462-Y465 WeakPolarHBondContact CA-O 3.47Å; G462-E509 WeakPolarHBondContact CA-O 3.45Å; G462-E509 PolarHBondContact N-O 3.24Å; G462-G510 CarbonylContact C-O 3.58Å; G462-T511 WeakPolarHBondContact CA-OG1 3.48Å; G462-T511 WeakPolarHBondContact O-CA 3.22Å |
| 463 | Q | 64.3 | Low | 57.5 | Low | 87 Ų | 87 | 57.2 Ų | 57.2 | 41% | 0.407 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -88 | -10.1 | 169.7 | -58.9 | 177.4 | -38.5 | 0 | 0 | 112.5 | V459 A460 P461 G510 W522 | V459-Q463 VanDerWaalsContact CA-OE1 3.31Å; V459-Q463 HydrophobicContact CG1-CB 3.9Å; A460-Q463 WeakPolarHBondContact O-CA 3.07Å; A460-Q463 VanDerWaalsContact O-CB 3.29Å; A460-Q463 WeakPolarHBondContact O-CB 3.09Å; A460-Q463 PolarHBondContact O-N 3.05Å; P461-Q463 PolarHBondContact O-N 2.96Å; Q463-G510 VanDerWaalsContact CG-O 3.3Å; Q463-G510 WeakPolarHBondContact CG-O 3.46Å; Q463-W522 VanDerWaalsContact NE2-CE3 3.29Å |
| 464 | V | 56.5 | Low | 59.3 | Low | 89 Ų | 89 | 51.5 Ų | 51.5 | 54% | 0.539 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -41.5 | 175.9 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | V459 P461 | V459-V464 HydrophobicContact CG1-CG2 4.49Å; P461-V464 WeakPolarHBondContact O-CB 3.3Å; P461-V464 PolarHBondContact O-N 2.93Å |
| 465 | Y | 63.2 | Low | 61.2 | Low | 27 Ų | 27 | 49.3 Ų | 49.3 | 11% | 0.106 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -121.2 | 107.9 | 178.4 | -51.9 | -77.4 | 0 | 0 | 0 | 108.2 | H254 S258 L376 P461 G462 E469 Q470 F473 | H254-Y465 PolarHBondContact O-OH 2.69Å; S258-Y465 WeakPolarHBondContact OG-CE2 3.31Å; S258-Y465 PolarHBondContact OG-OH 3.45Å; L376-Y465 HydrophobicContact CD1-CD2 4.07Å; L376-Y465 HydrophobicContact CD1-CG 4.47Å; L376-Y465 HydrophobicContact CD2-CD2 4.46Å; P461-Y465 PolarHBondContact O-N 2.85Å; G462-Y465 CarbonylContact C-O 3.56Å; G462-Y465 VanDerWaalsContact CA-O 3.28Å; G462-Y465 WeakPolarHBondContact CA-O 3.47Å; Y465-E469 HydrophobicContact CD1-CG 3.92Å; Y465-Q470 PolarHBondContact O-NE2 3.18Å; Y465-F473 AromaticContact CD1-CE2 3.5Å; Y465-F473 HydrophobicContact CD1-CE2 3.5Å; Y465-F473 VanDerWaalsContact CD1-CE2 3.5Å; Y465-F473 AromaticContact CD1-CZ 3.48Å; Y465-F473 HydrophobicContact CD1-CZ 3.48Å; Y465-F473 VanDerWaalsContact CD1-CZ 3.48Å; Y465-F473 HydrophobicContact CE1-CE2 4Å; Y465-F473 AromaticContact CE1-CZ 3.68Å; Y465-F473 HydrophobicContact CE1-CZ 3.68Å; Y465-F473 AromaticContact CG-CE2 3.86Å; Y465-F473 HydrophobicContact CG-CE2 3.86Å; Y465-F473 HydrophobicContact CG-CZ 4.3Å |
| 466 | D | 66.9 | Low | 63 | Low | 84 Ų | 84 | 42.7 Ų | 42.7 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | trans | -68 | 176.3 | 177.7 | 62.1 | 36.9 | 0 | 0 | 0 | 112.3 | D468 E469 Q470 | D466-D468 PolarHBondContact O-N 2.89Å; D466-D468 WeakPolarHBondContact OD1-CB 3.47Å; D466-D468 PolarHBondContact OD1-N 2.8Å; D466-D468 VanDerWaalsContact OD1-N 3.08Å; D466-E469 PolarHBondContact O-N 3.47Å; D466-E469 PolarHBondContact OD1-N 2.74Å; D466-Q470 WeakPolarHBondContact O-CG 3.49Å; D466-Q470 PolarHBondContact O-N 2.68Å; D466-Q470 PolarHBondContact O-NE2 2.83Å | ||
| 467 | A | 75 | Confident | 64.7 | Low | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.6 | -32.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C471 Q481 V487 L491 T511 | A467-C471 PolarHBondContact O-N 3.14Å; A467-C471 PolarHBondContact O-SG 3.39Å; A467-Q481 HydrophobicContact CB-CB 3.79Å; A467-Q481 HydrophobicContact CB-CG 3.63Å; A467-V487 HydrophobicContact CB-CG2 4.16Å; A467-L491 HydrophobicContact CB-CD1 3.83Å; A467-T511 HydrophobicContact CB-CG2 3.73Å |
| 468 | D | 71.3 | Confident | 66.2 | Low | 34 Ų | 34 | 44.4 Ų | 44.4 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70 | -45 | 177 | -87.6 | 15.9 | 0 | 0 | 0 | 111 | D466 C471 R472 R480 Q481 | D466-D468 PolarHBondContact O-N 2.89Å; D466-D468 WeakPolarHBondContact OD1-CB 3.47Å; D466-D468 PolarHBondContact OD1-N 2.8Å; D466-D468 VanDerWaalsContact OD1-N 3.08Å; D468-C471 WeakPolarHBondContact O-CB 3.32Å; D468-C471 PolarHBondContact O-N 2.8Å; D468-R472 WeakPolarHBondContact O-CG 3.01Å; D468-R472 PolarHBondContact O-N 3.34Å; D468-R472 IonicContact OD2-NH2 2.61Å; D468-R480 HydrophobicContact CB-CB 4.1Å; D468-R480 VanDerWaalsContact CG-CB 3.46Å; D468-R480 WeakPolarHBondContact OD1-CB 3.45Å; D468-Q481 VanDerWaalsContact OD1-CB 3.27Å; D468-Q481 WeakPolarHBondContact OD1-CB 3.14Å; D468-Q481 PolarHBondContact OD1-N 2.98Å |
| 469 | E | 72.9 | Confident | 67.7 | Low | 62 Ų | 62 | 39.2 Ų | 39.2 | 29% | 0.29 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.9 | -39 | 178.6 | -166.2 | 63.1 | -165.7 | 0 | 0 | 111.9 | Y465 D466 C471 R472 F473 | Y465-E469 HydrophobicContact CD1-CG 3.92Å; D466-E469 PolarHBondContact O-N 3.47Å; D466-E469 PolarHBondContact OD1-N 2.74Å; E469-C471 VanDerWaalsContact C-N 3.34Å; E469-C471 PolarHBondContact O-N 3.01Å; E469-R472 WeakPolarHBondContact O-CB 3.39Å; E469-R472 PolarHBondContact O-N 2.84Å; E469-R472 VanDerWaalsContact O-N 3.13Å; E469-R472 WeakPolarHBondContact OE2-CD 3.5Å; E469-R472 IonicContact OE2-CZ 3.13Å; E469-R472 IonicContact OE2-NE 2.97Å; E469-R472 IonicContact OE2-NH1 2.68Å; E469-R472 PolarHBondContact OE2-NH1 2.81Å; E469-F473 HydrophobicContact CG-CE1 4.34Å; E469-F473 HydrophobicContact CG-CE2 3.94Å; E469-F473 HydrophobicContact CG-CZ 3.68Å; E469-F473 WeakPolarHBondContact O-CD2 3.32Å; E469-F473 WeakPolarHBondContact O-CG 3.24Å; E469-F473 PolarHBondContact O-N 3.19Å; E469-F473 VanDerWaalsContact O-N 3.1Å |
| 470 | Q | 74.2 | Confident | 69.1 | Low | 9 Ų | 9 | 38.8 Ų | 38.8 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 171.7 | -71 | 169.6 | 59 | 0 | 0 | 111.7 | L376 Y465 D466 R472 F473 Q474 L491 T511 | L376-Q470 HydrophobicContact CD1-CG 3.94Å; Y465-Q470 PolarHBondContact O-NE2 3.18Å; D466-Q470 WeakPolarHBondContact O-CG 3.49Å; D466-Q470 PolarHBondContact O-N 2.68Å; D466-Q470 PolarHBondContact O-NE2 2.83Å; Q470-R472 VanDerWaalsContact C-N 3.34Å; Q470-R472 PolarHBondContact O-N 2.8Å; Q470-F473 PolarHBondContact O-N 3.03Å; Q470-Q474 PolarHBondContact O-N 2.8Å; Q470-L491 HydrophobicContact CB-CD2 3.54Å; Q470-T511 PolarHBondContact NE2-OG1 2.86Å |
| 471 | C | 75.2 | Confident | 70.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -36.4 | 173.9 | -68.3 | 0 | 0 | 0 | 0 | 113.2 | A467 D468 E469 Q474 Y475 S479 R480 C493 | A467-C471 PolarHBondContact O-N 3.14Å; A467-C471 PolarHBondContact O-SG 3.39Å; D468-C471 WeakPolarHBondContact O-CB 3.32Å; D468-C471 PolarHBondContact O-N 2.8Å; E469-C471 VanDerWaalsContact C-N 3.34Å; E469-C471 PolarHBondContact O-N 3.01Å; C471-Q474 PolarHBondContact O-N 3.29Å; C471-Y475 PolarHBondContact O-N 2.79Å; C471-S479 VanDerWaalsContact O-CB 3.31Å; C471-S479 WeakPolarHBondContact O-CB 3.3Å; C471-S479 PolarHBondContact O-OG 2.81Å; C471-R480 VanDerWaalsContact SG-C 3.52Å; C471-R480 PolarHBondContact SG-O 2.69Å; C471-C493 WeakPolarHBondContact CA-SG 3.47Å; C471-C493 HydrophobicContact CB-CB 3.52Å; C471-C493 WeakPolarHBondContact CB-SG 3.35Å; C471-C493 WeakPolarHBondContact SG-CA 3.23Å; C471-C493 WeakPolarHBondContact SG-CB 3.38Å; C471-C493 CovalentContact SG-SG 2.02Å; C471-C493 PolarHBondContact SG-SG 3.5Å |
| 472 | R | 78.8 | Confident | 71.2 | Confident | 69 Ų | 69 | 39.5 Ų | 39.5 | 26% | 0.26 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.9 | -71.1 | 172.3 | -163.8 | 120.8 | 13.2 | 112 | Y246 D468 E469 Q470 Q474 G476 S479 | Y246-R472 PolarHBondContact OH-O 3.19Å; Y246-R472 VanDerWaalsContact OH-O 3.07Å; D468-R472 WeakPolarHBondContact O-CG 3.01Å; D468-R472 PolarHBondContact O-N 3.34Å; D468-R472 IonicContact OD2-NH2 2.61Å; E469-R472 WeakPolarHBondContact O-CB 3.39Å; E469-R472 PolarHBondContact O-N 2.84Å; E469-R472 VanDerWaalsContact O-N 3.13Å; E469-R472 WeakPolarHBondContact OE2-CD 3.5Å; E469-R472 IonicContact OE2-CZ 3.13Å; E469-R472 IonicContact OE2-NE 2.97Å; E469-R472 IonicContact OE2-NH1 2.68Å; E469-R472 PolarHBondContact OE2-NH1 2.81Å; Q470-R472 VanDerWaalsContact C-N 3.34Å; Q470-R472 PolarHBondContact O-N 2.8Å; R472-Q474 VanDerWaalsContact C-N 3.34Å; R472-Q474 PolarHBondContact O-N 2.92Å; R472-G476 WeakPolarHBondContact CA-O 3.21Å; R472-G476 CarbonylContact O-C 2.9Å; R472-G476 VanDerWaalsContact O-C 3.23Å; R472-G476 VanDerWaalsContact O-CA 3.24Å; R472-G476 WeakPolarHBondContact O-CA 3.27Å; R472-G476 PolarHBondContact O-N 2.96Å; R472-S479 VanDerWaalsContact CG-O 3.23Å; R472-S479 WeakPolarHBondContact CG-O 3.35Å |
| 473 | F | 71.8 | Confident | 71.4 | Confident | 19 Ų | 19 | 48.3 Ų | 48.3 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 176 | -56.4 | -43.6 | 0 | 0 | 0 | 111.5 | Y246 H247 Y255 R339 L376 Y465 E469 Q470 | Y246-F473 WeakPolarHBondContact CE1-O 3.48Å; Y246-F473 PolarHBondContact OH-O 2.76Å; H247-F473 AromaticContact CE1-CD1 3.98Å; Y255-F473 HydrophobicContact CD2-CD1 4.22Å; Y255-F473 HydrophobicContact CD2-CD2 4.26Å; Y255-F473 HydrophobicContact CD2-CE1 4.13Å; Y255-F473 HydrophobicContact CD2-CE2 4.15Å; Y255-F473 HydrophobicContact CD2-CG 4.3Å; Y255-F473 HydrophobicContact CD2-CZ 4.1Å; Y255-F473 HydrophobicContact CE2-CB 4.22Å; Y255-F473 HydrophobicContact CE2-CD1 4.12Å; Y255-F473 AromaticContact CE2-CD2 3.81Å; Y255-F473 HydrophobicContact CE2-CD2 3.81Å; Y255-F473 HydrophobicContact CE2-CE1 4.45Å; Y255-F473 HydrophobicContact CE2-CE2 4.15Å; Y255-F473 AromaticContact CE2-CG 3.8Å; Y255-F473 HydrophobicContact CE2-CG 3.8Å; Y255-F473 HydrophobicContact CE2-CZ 4.46Å; R339-F473 PolarHBondContact NH2-O 2.64Å; L376-F473 HydrophobicContact CG-CD2 4.44Å; Y465-F473 AromaticContact CD1-CE2 3.5Å; Y465-F473 HydrophobicContact CD1-CE2 3.5Å; Y465-F473 VanDerWaalsContact CD1-CE2 3.5Å; Y465-F473 AromaticContact CD1-CZ 3.48Å; Y465-F473 HydrophobicContact CD1-CZ 3.48Å; Y465-F473 VanDerWaalsContact CD1-CZ 3.48Å; Y465-F473 HydrophobicContact CE1-CE2 4Å; Y465-F473 AromaticContact CE1-CZ 3.68Å; Y465-F473 HydrophobicContact CE1-CZ 3.68Å; Y465-F473 AromaticContact CG-CE2 3.86Å; Y465-F473 HydrophobicContact CG-CE2 3.86Å; Y465-F473 HydrophobicContact CG-CZ 4.3Å; E469-F473 HydrophobicContact CG-CE1 4.34Å; E469-F473 HydrophobicContact CG-CE2 3.94Å; E469-F473 HydrophobicContact CG-CZ 3.68Å; E469-F473 WeakPolarHBondContact O-CD2 3.32Å; E469-F473 WeakPolarHBondContact O-CG 3.24Å; E469-F473 PolarHBondContact O-N 3.19Å; E469-F473 VanDerWaalsContact O-N 3.1Å; Q470-F473 PolarHBondContact O-N 3.03Å |
| 474 | Q | 69.1 | Low | 71.5 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69 | -51.6 | -175.3 | -167.1 | 171.4 | 9.5 | 0 | 0 | 113.1 | I374 Q470 C471 R472 N503 | I374-Q474 WeakPolarHBondContact O-CG 3.42Å; Q470-Q474 PolarHBondContact O-N 2.8Å; C471-Q474 PolarHBondContact O-N 3.29Å; R472-Q474 VanDerWaalsContact C-N 3.34Å; R472-Q474 PolarHBondContact O-N 2.92Å; Q474-N503 VanDerWaalsContact NE2-CG 3.25Å; Q474-N503 PolarHBondContact NE2-ND2 2.81Å; Q474-N503 VanDerWaalsContact NE2-ND2 3.18Å |
| 475 | Y | 74.1 | Confident | 71.9 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 15% | 0.153 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -115.5 | -0.5 | -169.8 | -56.9 | -76 | 0 | 0 | 0 | 115.6 | C471 C493 V501 T502 N503 | C471-Y475 PolarHBondContact O-N 2.79Å; Y475-C493 HydrophobicContact CD2-CB 3.35Å; Y475-C493 HydrophobicContact CE2-CB 3.33Å; Y475-V501 HydrophobicContact CD1-CG2 3.6Å; Y475-V501 HydrophobicContact CD2-CG2 3.98Å; Y475-V501 HydrophobicContact CE1-CB 4.07Å; Y475-V501 HydrophobicContact CE1-CG2 3.34Å; Y475-V501 HydrophobicContact CE2-CG2 3.74Å; Y475-V501 HydrophobicContact CG-CG2 3.89Å; Y475-T502 WeakPolarHBondContact OH-CA 3.48Å; Y475-N503 PolarHBondContact OH-N 3.47Å; Y475-N503 VanDerWaalsContact OH-N 3.1Å; Y475-N503 PolarHBondContact OH-OD1 3.31Å |
| 476 | G | 68.7 | Low | 72.6 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | trans | 110.3 | 159.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y246 R472 S478 S479 | Y246-G476 VanDerWaalsContact OH-CA 3.28Å; Y246-G476 WeakPolarHBondContact OH-CA 3.45Å; Y246-G476 PolarHBondContact OH-N 3.5Å; R472-G476 WeakPolarHBondContact CA-O 3.21Å; R472-G476 CarbonylContact O-C 2.9Å; R472-G476 VanDerWaalsContact O-C 3.23Å; R472-G476 VanDerWaalsContact O-CA 3.24Å; R472-G476 WeakPolarHBondContact O-CA 3.27Å; R472-G476 PolarHBondContact O-N 2.96Å; G476-S478 PolarHBondContact O-N 3.39Å; G476-S479 WeakPolarHBondContact O-CB 3.39Å; G476-S479 PolarHBondContact O-N 2.86Å | ||
| 477 | A | 68.6 | Low | 73.2 | Confident | 90 Ų | 90 | 47.8 Ų | 47.8 | 74% | 0.744 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -15.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 478 | S | 69 | Low | 73.3 | Confident | 78 Ų | 78 | 47.6 Ų | 47.6 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -6.8 | 173 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | G476 | G476-S478 PolarHBondContact O-N 3.39Š|
| 479 | S | 71.8 | Confident | 73.5 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | trans | -79.6 | 164.3 | 178.7 | -159.3 | 0 | 0 | 0 | 0 | 112.3 | C471 R472 G476 L494 | C471-S479 VanDerWaalsContact O-CB 3.31Å; C471-S479 WeakPolarHBondContact O-CB 3.3Å; C471-S479 PolarHBondContact O-OG 2.81Å; R472-S479 VanDerWaalsContact CG-O 3.23Å; R472-S479 WeakPolarHBondContact CG-O 3.35Å; G476-S479 WeakPolarHBondContact O-CB 3.39Å; G476-S479 PolarHBondContact O-N 2.86Å; S479-L494 WeakPolarHBondContact CB-O 3.45Å; S479-L494 PolarHBondContact OG-N 3.45Å; S479-L494 VanDerWaalsContact OG-N 3.09Å; S479-L494 PolarHBondContact OG-O 2.89Å | ||
| 480 | R | 79.4 | Confident | 73.6 | Confident | 51 Ų | 51 | 51 Ų | 51 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | trans | -172.4 | 173.7 | 179.8 | 61.6 | -170.9 | 168.7 | -101.7 | -28.4 | 109.9 | S168 P169 D468 C471 C493 L494 | S168-R480 VanDerWaalsContact OG-CD 3.22Å; S168-R480 WeakPolarHBondContact OG-CD 3.34Å; S168-R480 PolarHBondContact OG-NE 2.89Å; P169-R480 VanDerWaalsContact CD-CZ 3.45Å; P169-R480 PolarHBondContact O-NE 2.93Å; P169-R480 PolarHBondContact O-NH2 3.23Å; D468-R480 HydrophobicContact CB-CB 4.1Å; D468-R480 VanDerWaalsContact CG-CB 3.46Å; D468-R480 WeakPolarHBondContact OD1-CB 3.45Å; C471-R480 VanDerWaalsContact SG-C 3.52Å; C471-R480 PolarHBondContact SG-O 2.69Å; R480-C493 WeakPolarHBondContact O-CA 3.44Å; R480-L494 HydrophobicContact CG-CD1 3.42Å; R480-L494 VanDerWaalsContact CG-CD1 3.42Å; R480-L494 PolarHBondContact O-N 3.25Å | ||
| 481 | Q | 80.8 | Confident | 73.9 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 23% | 0.229 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -69.8 | 145.4 | -176.4 | -162.2 | -153 | -21 | 0 | 0 | 112.9 | A467 D468 L491 | A467-Q481 HydrophobicContact CB-CB 3.79Å; A467-Q481 HydrophobicContact CB-CG 3.63Å; D468-Q481 VanDerWaalsContact OD1-CB 3.27Å; D468-Q481 WeakPolarHBondContact OD1-CB 3.14Å; D468-Q481 PolarHBondContact OD1-N 2.98Å; Q481-L491 HydrophobicContact CG-CD1 4.03Å |
| 482 | C | 79.4 | Confident | 74.2 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | trans | -100.9 | 142.7 | 168.5 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | Y484 W492 C493 C500 | C482-Y484 PolarHBondContact O-N 3.44Å; C482-Y484 VanDerWaalsContact O-N 3.1Å; C482-W492 HydrophobicContact CB-CB 3.68Å; C482-W492 WeakPolarHBondContact CB-O 3.43Å; C482-W492 PolarHBondContact N-O 3.49Å; C482-W492 VanDerWaalsContact SG-C 3.58Å; C482-W492 PolarHBondContact SG-O 2.93Å; C482-C493 VanDerWaalsContact SG-C 3.58Å; C482-C493 PolarHBondContact SG-N 3.03Å; C482-C500 HydrophobicContact CB-CB 3.8Å; C482-C500 WeakPolarHBondContact CB-SG 3.46Å; C482-C500 WeakPolarHBondContact SG-CB 3.22Å; C482-C500 CovalentContact SG-SG 1.99Å; C482-C500 PolarHBondContact SG-SG 3.01Å | ||
| 483 | K | 69.4 | Low | 74.4 | Confident | 191 Ų | 191 | 49.7 Ų | 49.7 | 83% | 0.83 | 26% | 0.26 | S | S | * | . | trans | -88.1 | 60.8 | 174.2 | -63.7 | -167.4 | 177.5 | -169.9 | 0 | 111 | ||||
| 484 | Y | 65.3 | Low | 74.9 | Confident | 136 Ų | 136 | 48.9 Ų | 48.9 | 53% | 0.533 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -128.1 | 129.4 | 179.7 | -162.5 | -91.2 | 0 | 0 | 0 | 109.3 | C482 W492 | C482-Y484 PolarHBondContact O-N 3.44Å; C482-Y484 VanDerWaalsContact O-N 3.1Å; Y484-W492 AromaticContact CD1-CD2 3.85Å; Y484-W492 HydrophobicContact CD1-CD2 3.85Å; Y484-W492 AromaticContact CD1-CE2 3.72Å; Y484-W492 HydrophobicContact CD1-CE3 4.2Å; Y484-W492 HydrophobicContact CD1-CG 4.31Å; Y484-W492 HydrophobicContact CD1-CH2 4.33Å; Y484-W492 HydrophobicContact CD1-CZ2 4.01Å; Y484-W492 HydrophobicContact CD1-CZ3 4.4Å; Y484-W492 HydrophobicContact CE1-CH2 4.22Å; Y484-W492 HydrophobicContact CE1-CZ2 4.05Å; Y484-W492 HydrophobicContact CG-CD2 4.5Å |
| 485 | G | 65.9 | Low | 75.1 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 73% | 0.732 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 65.7 | -162.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 486 | E | 76.5 | Confident | 74.9 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | trans | -99.7 | 119.1 | 172.4 | -178.3 | 179.6 | 176.4 | 0 | 0 | 109.9 | C488 R489 E490 C528 | E486-C488 HydrophobicContact CG-CB 4.38Å; E486-C488 PolarHBondContact O-N 2.76Å; E486-C488 VanDerWaalsContact O-N 3.07Å; E486-R489 HydrophobicContact CB-CB 4.46Å; E486-R489 HydrophobicContact CB-CG 4.45Å; E486-R489 PolarHBondContact O-N 3.21Å; E486-R489 IonicContact OE2-NE 3.95Å; E486-E490 PolarHBondContact O-N 2.74Å; E486-C528 WeakPolarHBondContact OE1-CB 3.45Å; E486-C528 PolarHBondContact OE1-N 2.84Å | ||
| 487 | V | 80.8 | Confident | 75.1 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 9% | 0.085 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -31 | -175.3 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | A467 R489 L491 A507 T511 C513 | A467-V487 HydrophobicContact CB-CG2 4.16Å; V487-R489 VanDerWaalsContact C-N 3.33Å; V487-L491 HydrophobicContact CG2-CD1 4.07Å; V487-A507 HydrophobicContact CG2-CB 3.62Å; V487-A507 WeakPolarHBondContact O-CB 3.3Å; V487-A507 PolarHBondContact O-N 2.91Å; V487-T511 HydrophobicContact CG2-CG2 4.31Å; V487-C513 HydrophobicContact CG1-CB 3.59Å |
| 488 | C | 76.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -22.5 | 179.3 | -53.4 | 0 | 0 | 0 | 0 | 113.6 | N421 E486 P506 C513 C523 G526 | N421-C488 PolarHBondContact ND2-O 3.42Å; N421-C488 VanDerWaalsContact ND2-O 3.14Å; E486-C488 HydrophobicContact CG-CB 4.38Å; E486-C488 PolarHBondContact O-N 2.76Å; E486-C488 VanDerWaalsContact O-N 3.07Å; C488-P506 WeakPolarHBondContact O-CB 3.32Å; C488-C513 WeakPolarHBondContact SG-CB 3.28Å; C488-C513 VanDerWaalsContact SG-SG 3.6Å; C488-C523 WeakPolarHBondContact CA-SG 3.29Å; C488-C523 HydrophobicContact CB-CB 3.57Å; C488-C523 WeakPolarHBondContact CB-SG 3.39Å; C488-C523 WeakPolarHBondContact SG-CA 3.39Å; C488-C523 WeakPolarHBondContact SG-CB 3.24Å; C488-C523 CovalentContact SG-SG 2.04Å; C488-C523 PolarHBondContact SG-SG 2.97Å; C488-G526 CarbonylContact C-O 3.57Å; C488-G526 VanDerWaalsContact CB-O 3.26Å; C488-G526 WeakPolarHBondContact CB-O 3.23Å; C488-G526 CarbonylContact O-C 3.5Å; C488-G526 WeakPolarHBondContact O-CA 3.41Å |
| 489 | R | 74.9 | Confident | 75.6 | Confident | 133 Ų | 133 | 61.1 Ų | 61.1 | 50% | 0.502 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -38.5 | 177 | -68.6 | -177.2 | 149.8 | -132.6 | -7.6 | 111.6 | E486 V487 P506 G526 E527 | E486-R489 HydrophobicContact CB-CB 4.46Å; E486-R489 HydrophobicContact CB-CG 4.45Å; E486-R489 PolarHBondContact O-N 3.21Å; E486-R489 IonicContact OE2-NE 3.95Å; V487-R489 VanDerWaalsContact C-N 3.33Å; R489-P506 WeakPolarHBondContact O-CB 3.3Å; R489-G526 VanDerWaalsContact CG-O 3.26Å; R489-G526 WeakPolarHBondContact CG-O 3.34Å; R489-G526 PolarHBondContact N-O 2.86Å; R489-E527 IonicContact CZ-OE1 3.66Å; R489-E527 IonicContact NE-OE1 3.79Å; R489-E527 PolarHBondContact NE-OE1 2.92Å; R489-E527 IonicContact NE-OE2 3.47Å; R489-E527 IonicContact NH2-OE1 3.99Å; R489-E527 PolarHBondContact NH2-OE1 3.26Å; R489-E527 IonicContact NH2-OE2 3.07Å |
| 490 | E | 76.8 | Confident | 76 | Confident | 35 Ų | 35 | 61.1 Ų | 61.1 | 16% | 0.164 | 30% | 0.298 | C | S | . | . | trans | -152.8 | 128.4 | 178.9 | -166.1 | 174.7 | -161.2 | 0 | 0 | 111.9 | E486 W492 T502 S504 | E486-E490 PolarHBondContact O-N 2.74Å; E490-W492 PolarHBondContact O-N 3.29Å; E490-W492 PolarHBondContact OE2-NE1 3.45Å; E490-T502 VanDerWaalsContact CD-OG1 3.32Å; E490-T502 WeakPolarHBondContact CG-OG1 3.05Å; E490-T502 WeakPolarHBondContact OE1-CB 3.38Å; E490-T502 VanDerWaalsContact OE1-CG2 3.25Å; E490-T502 WeakPolarHBondContact OE1-CG2 3.27Å; E490-T502 PolarHBondContact OE1-OG1 2.91Å; E490-S504 WeakPolarHBondContact OE1-CA 3.27Å | ||
| 491 | L | 78.6 | Confident | 75.9 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | trans | -90.7 | 99 | 176.5 | -177.1 | 69.9 | 0 | 0 | 0 | 110.3 | A467 Q470 Q481 V487 C493 I505 A507 | A467-L491 HydrophobicContact CB-CD1 3.83Å; Q470-L491 HydrophobicContact CB-CD2 3.54Å; Q481-L491 HydrophobicContact CG-CD1 4.03Å; V487-L491 HydrophobicContact CG2-CD1 4.07Å; L491-C493 VanDerWaalsContact CG-SG 3.56Å; L491-I505 WeakPolarHBondContact CB-O 3.14Å; L491-I505 PolarHBondContact N-O 3.01Å; L491-A507 HydrophobicContact CB-CB 4.27Å; L491-A507 HydrophobicContact CD1-CB 4.03Å | ||
| 492 | W | 82.9 | Confident | 75.6 | Confident | 44 Ų | 44 | 58.7 Ų | 58.7 | 17% | 0.167 | 29% | 0.292 | C | S | . | . | trans | -83.2 | 133 | 171 | -70.2 | 74.6 | 0 | 0 | 0 | 110.6 | S173 C482 Y484 E490 V501 T502 | S173-W492 VanDerWaalsContact OG-CZ3 3.23Å; S173-W492 WeakPolarHBondContact OG-CZ3 3.36Å; C482-W492 HydrophobicContact CB-CB 3.68Å; C482-W492 WeakPolarHBondContact CB-O 3.43Å; C482-W492 PolarHBondContact N-O 3.49Å; C482-W492 VanDerWaalsContact SG-C 3.58Å; C482-W492 PolarHBondContact SG-O 2.93Å; Y484-W492 AromaticContact CD1-CD2 3.85Å; Y484-W492 HydrophobicContact CD1-CD2 3.85Å; Y484-W492 AromaticContact CD1-CE2 3.72Å; Y484-W492 HydrophobicContact CD1-CE3 4.2Å; Y484-W492 HydrophobicContact CD1-CG 4.31Å; Y484-W492 HydrophobicContact CD1-CH2 4.33Å; Y484-W492 HydrophobicContact CD1-CZ2 4.01Å; Y484-W492 HydrophobicContact CD1-CZ3 4.4Å; Y484-W492 HydrophobicContact CE1-CH2 4.22Å; Y484-W492 HydrophobicContact CE1-CZ2 4.05Å; Y484-W492 HydrophobicContact CG-CD2 4.5Å; E490-W492 PolarHBondContact O-N 3.29Å; E490-W492 PolarHBondContact OE2-NE1 3.45Å; W492-V501 WeakPolarHBondContact CA-O 3.06Å; W492-T502 HydrophobicContact CD2-CG2 4.01Å; W492-T502 HydrophobicContact CE3-CG2 4Å; W492-T502 HydrophobicContact CH2-CG2 3.62Å; W492-T502 HydrophobicContact CZ2-CG2 3.6Å; W492-T502 HydrophobicContact CZ3-CG2 3.84Å | ||
| 493 | C | 83.1 | Confident | 74.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 151.3 | -166.1 | -68.7 | 0 | 0 | 0 | 0 | 114 | C471 Y475 R480 C482 L491 S495 C500 V501 | C471-C493 WeakPolarHBondContact CA-SG 3.47Å; C471-C493 HydrophobicContact CB-CB 3.52Å; C471-C493 WeakPolarHBondContact CB-SG 3.35Å; C471-C493 WeakPolarHBondContact SG-CA 3.23Å; C471-C493 WeakPolarHBondContact SG-CB 3.38Å; C471-C493 CovalentContact SG-SG 2.02Å; C471-C493 PolarHBondContact SG-SG 3.5Å; Y475-C493 HydrophobicContact CD2-CB 3.35Å; Y475-C493 HydrophobicContact CE2-CB 3.33Å; R480-C493 WeakPolarHBondContact O-CA 3.44Å; C482-C493 VanDerWaalsContact SG-C 3.58Å; C482-C493 PolarHBondContact SG-N 3.03Å; L491-C493 VanDerWaalsContact CG-SG 3.56Å; C493-S495 PolarHBondContact O-N 3.48Å; C493-C500 CarbonylContact O-C 3.36Å; C493-C500 WeakPolarHBondContact O-CA 3.3Å; C493-V501 PolarHBondContact N-O 2.81Å; C493-V501 WeakPolarHBondContact O-CG2 3.01Å; C493-V501 PolarHBondContact O-N 2.95Å |
| 494 | L | 82.4 | Confident | 74.8 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 116.5 | -171.9 | -82.7 | 142.9 | 0 | 0 | 0 | 116.9 | P169 Q170 S479 R480 | P169-L494 WeakPolarHBondContact O-CD1 3.46Å; Q170-L494 VanDerWaalsContact CA-CD2 3.45Å; Q170-L494 WeakPolarHBondContact O-CD2 3.48Å; S479-L494 WeakPolarHBondContact CB-O 3.45Å; S479-L494 PolarHBondContact OG-N 3.45Å; S479-L494 VanDerWaalsContact OG-N 3.09Å; S479-L494 PolarHBondContact OG-O 2.89Å; R480-L494 HydrophobicContact CG-CD1 3.42Å; R480-L494 VanDerWaalsContact CG-CD1 3.42Å; R480-L494 PolarHBondContact O-N 3.25Å |
| 495 | S | 72.6 | Confident | 74.9 | Confident | 37 Ų | 37 | 48.2 Ų | 48.2 | 26% | 0.259 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 159.3 | 166.1 | -168.5 | 0 | 0 | 0 | 0 | 112.4 | C493 S497 N498 R499 | C493-S495 PolarHBondContact O-N 3.48Å; S495-S497 PolarHBondContact O-N 3.48Å; S495-N498 WeakPolarHBondContact O-CA 3.39Å; S495-N498 PolarHBondContact O-N 3.27Å; S495-R499 WeakPolarHBondContact CA-O 3.42Å; S495-R499 WeakPolarHBondContact CB-O 3.48Å; S495-R499 PolarHBondContact N-O 3.3Å; S495-R499 PolarHBondContact O-N 3.42Å |
| 496 | K | 68.8 | Low | 75.3 | Confident | 172 Ų | 172 | 45.4 Ų | 45.4 | 75% | 0.748 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -18.4 | -174.2 | -60.8 | 174.3 | -176.1 | 172.1 | 0 | 114.9 | N498 | K496-N498 PolarHBondContact O-N 3.33Š|
| 497 | S | 73.3 | Confident | 75.4 | Confident | 79 Ų | 79 | 43 Ų | 43 | 55% | 0.552 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 14.6 | 174.6 | 43.6 | 0 | 0 | 0 | 0 | 113.7 | S495 R499 | S495-S497 PolarHBondContact O-N 3.48Å; S497-R499 VanDerWaalsContact C-N 3.28Å; S497-R499 WeakPolarHBondContact OG-CB 3.26Å; S497-R499 WeakPolarHBondContact OG-CG 3.45Å |
| 498 | N | 69.8 | Low | 75 | Confident | 103 Ų | 103 | 43.1 Ų | 43.1 | 55% | 0.551 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 47 | -160.3 | -82.6 | 0.4 | 0 | 0 | 0 | 111.3 | Q170 E171 S495 K496 | Q170-N498 CarbonylContact C-O 3.56Å; E171-N498 PolarHBondContact N-O 3.34Å; S495-N498 WeakPolarHBondContact O-CA 3.39Å; S495-N498 PolarHBondContact O-N 3.27Å; K496-N498 PolarHBondContact O-N 3.33Å |
| 499 | R | 78.9 | Confident | 74.8 | Confident | 101 Ų | 101 | 45.2 Ų | 45.2 | 38% | 0.381 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 104.7 | -179.4 | -60.1 | -170.4 | 95.3 | -149.6 | 4.6 | 112 | E171 Q172 S495 S497 V501 | E171-R499 WeakPolarHBondContact O-CA 3.49Å; Q172-R499 HydrophobicContact CB-CB 4.04Å; Q172-R499 HydrophobicContact CB-CG 4.19Å; Q172-R499 CarbonylContact O-C 3.54Å; Q172-R499 WeakPolarHBondContact O-CA 3.31Å; Q172-R499 WeakPolarHBondContact O-CB 3.45Å; Q172-R499 VanDerWaalsContact OE1-CZ 3.31Å; S495-R499 WeakPolarHBondContact CA-O 3.42Å; S495-R499 WeakPolarHBondContact CB-O 3.48Å; S495-R499 PolarHBondContact N-O 3.3Å; S495-R499 PolarHBondContact O-N 3.42Å; S497-R499 VanDerWaalsContact C-N 3.28Å; S497-R499 WeakPolarHBondContact OG-CB 3.26Å; S497-R499 WeakPolarHBondContact OG-CG 3.45Å; R499-V501 PolarHBondContact O-N 2.82Å |
| 500 | C | 80.3 | Confident | 74.6 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.8 | 94.4 | 167.9 | -71.6 | 0 | 0 | 0 | 0 | 114.6 | E171 Q172 S173 C482 C493 | E171-C500 VanDerWaalsContact CA-SG 3.52Å; E171-C500 HydrophobicContact CG-CB 4.43Å; Q172-C500 CarbonylContact C-O 3.46Å; Q172-C500 VanDerWaalsContact CA-O 3.28Å; Q172-C500 WeakPolarHBondContact CA-O 3.15Å; Q172-C500 PolarHBondContact N-O 3.27Å; Q172-C500 CarbonylContact O-C 3.5Å; Q172-C500 PolarHBondContact O-N 3.23Å; S173-C500 PolarHBondContact OG-O 2.01Å; C482-C500 HydrophobicContact CB-CB 3.8Å; C482-C500 WeakPolarHBondContact CB-SG 3.46Å; C482-C500 WeakPolarHBondContact SG-CB 3.22Å; C482-C500 CovalentContact SG-SG 1.99Å; C482-C500 PolarHBondContact SG-SG 3.01Å; C493-C500 CarbonylContact O-C 3.36Å; C493-C500 WeakPolarHBondContact O-CA 3.3Å |
| 501 | V | 77 | Confident | 74.6 | Confident | 21 Ų | 21 | 37.3 Ų | 37.3 | 13% | 0.127 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 167 | 171.6 | -77.3 | 0 | 0 | 0 | 0 | 111.5 | Q172 Y475 W492 C493 R499 | Q172-V501 PolarHBondContact O-N 3.31Å; Y475-V501 HydrophobicContact CD1-CG2 3.6Å; Y475-V501 HydrophobicContact CD2-CG2 3.98Å; Y475-V501 HydrophobicContact CE1-CB 4.07Å; Y475-V501 HydrophobicContact CE1-CG2 3.34Å; Y475-V501 HydrophobicContact CE2-CG2 3.74Å; Y475-V501 HydrophobicContact CG-CG2 3.89Å; W492-V501 WeakPolarHBondContact CA-O 3.06Å; C493-V501 PolarHBondContact N-O 2.81Å; C493-V501 WeakPolarHBondContact O-CG2 3.01Å; C493-V501 PolarHBondContact O-N 2.95Å; R499-V501 PolarHBondContact O-N 2.82Å |
| 502 | T | 73.9 | Confident | 74.5 | Confident | 27 Ų | 27 | 42.5 Ų | 42.5 | 17% | 0.166 | 22% | 0.224 | C | C | . | . | trans | -144.4 | 148.5 | 169.9 | 172.7 | 0 | 0 | 0 | 0 | 107.5 | Y475 E490 W492 S504 | Y475-T502 WeakPolarHBondContact OH-CA 3.48Å; E490-T502 VanDerWaalsContact CD-OG1 3.32Å; E490-T502 WeakPolarHBondContact CG-OG1 3.05Å; E490-T502 WeakPolarHBondContact OE1-CB 3.38Å; E490-T502 VanDerWaalsContact OE1-CG2 3.25Å; E490-T502 WeakPolarHBondContact OE1-CG2 3.27Å; E490-T502 PolarHBondContact OE1-OG1 2.91Å; W492-T502 HydrophobicContact CD2-CG2 4.01Å; W492-T502 HydrophobicContact CE3-CG2 4Å; W492-T502 HydrophobicContact CH2-CG2 3.62Å; W492-T502 HydrophobicContact CZ2-CG2 3.6Å; W492-T502 HydrophobicContact CZ3-CG2 3.84Å; T502-S504 PolarHBondContact OG1-N 2.89Å | ||
| 503 | N | 65.4 | Low | 74.3 | Confident | 70 Ų | 70 | 40.9 Ų | 40.9 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | trans | -107.3 | 23.5 | 164.8 | -62.6 | -0.8 | 0 | 0 | 0 | 110.8 | Q474 Y475 I505 | Q474-N503 VanDerWaalsContact NE2-CG 3.25Å; Q474-N503 PolarHBondContact NE2-ND2 2.81Å; Q474-N503 VanDerWaalsContact NE2-ND2 3.18Å; Y475-N503 PolarHBondContact OH-N 3.47Å; Y475-N503 VanDerWaalsContact OH-N 3.1Å; Y475-N503 PolarHBondContact OH-OD1 3.31Å; N503-I505 VanDerWaalsContact C-N 3.31Å; N503-I505 HydrophobicContact CB-CD1 4.41Å; N503-I505 PolarHBondContact O-N 3.14Å | ||
| 504 | S | 67.9 | Low | 74 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 19% | 0.189 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 62.6 | 30.3 | -178.4 | -74.5 | 0 | 0 | 0 | 0 | 115 | T417 E490 T502 | T417-S504 CarbonylContact C-O 3.48Å; E490-S504 WeakPolarHBondContact OE1-CA 3.27Å; T502-S504 PolarHBondContact OG1-N 2.89Å |
| 505 | I | 66.8 | Low | 73.7 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.062 | 26% | 0.262 | C | S | . | . | trans | -110.8 | 130.9 | -179.1 | -63.1 | 174.3 | 0 | 0 | 0 | 109 | I374 F380 I416 L491 N503 | I374-I505 HydrophobicContact CD1-CD1 3.74Å; F380-I505 HydrophobicContact CD2-CG2 4.45Å; F380-I505 HydrophobicContact CE2-CG2 4.07Å; I416-I505 HydrophobicContact CG2-CG1 3.94Å; L491-I505 WeakPolarHBondContact CB-O 3.14Å; L491-I505 PolarHBondContact N-O 3.01Å; N503-I505 VanDerWaalsContact C-N 3.31Å; N503-I505 HydrophobicContact CB-CD1 4.41Å; N503-I505 PolarHBondContact O-N 3.14Å | ||
| 506 | P | 74.4 | Confident | 73.8 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 7% | 0.071 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 157.8 | 174.2 | 29.2 | -36.3 | 0 | 0 | 0 | 112.6 | N421 F423 C488 R489 | N421-P506 VanDerWaalsContact ND2-CB 3.34Å; N421-P506 WeakPolarHBondContact ND2-CB 3.48Å; N421-P506 WeakPolarHBondContact ND2-CG 3.27Å; F423-P506 HydrophobicContact CE2-CG 3.48Å; F423-P506 VanDerWaalsContact CE2-CG 3.48Å; F423-P506 HydrophobicContact CZ-CG 3.89Å; C488-P506 WeakPolarHBondContact O-CB 3.32Å; R489-P506 WeakPolarHBondContact O-CB 3.3Å |
| 507 | A | 77.6 | Confident | 74 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 5% | 0.05 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 143.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V487 L491 T511 | V487-A507 HydrophobicContact CG2-CB 3.62Å; V487-A507 WeakPolarHBondContact O-CB 3.3Å; V487-A507 PolarHBondContact O-N 2.91Å; L491-A507 HydrophobicContact CB-CB 4.27Å; L491-A507 HydrophobicContact CD1-CB 4.03Å; A507-T511 HydrophobicContact CB-CG2 3.9Å |
| 508 | A | 72.4 | Confident | 74 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 13% | 0.132 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 148.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L376 P461 G510 T511 | L376-A508 HydrophobicContact CD1-CB 3.97Å; P461-A508 HydrophobicContact CB-CB 4.06Å; A508-G510 PolarHBondContact O-N 2.83Å; A508-T511 VanDerWaalsContact O-CB 3.29Å; A508-T511 WeakPolarHBondContact O-CB 3.43Å; A508-T511 PolarHBondContact O-N 3.28Å; A508-T511 PolarHBondContact O-OG1 3.14Å |
| 509 | E | 73.1 | Confident | 74 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 20% | 0.201 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 140.1 | -178.1 | -72.5 | -174.2 | 135 | 0 | 0 | 112.2 | K265 A460 G462 T511 C523 Q525 | K265-E509 IonicContact NZ-OE1 2.72Å; K265-E509 IonicContact NZ-OE2 3.75Å; K265-E509 PolarHBondContact NZ-OE2 3.34Å; A460-E509 CarbonylContact C-O 3.53Å; A460-E509 VanDerWaalsContact C-O 3.3Å; A460-E509 VanDerWaalsContact CB-C 3.48Å; A460-E509 HydrophobicContact CB-CB 3.94Å; A460-E509 WeakPolarHBondContact CB-O 3.19Å; G462-E509 WeakPolarHBondContact CA-O 3.45Å; G462-E509 PolarHBondContact N-O 3.24Å; E509-T511 VanDerWaalsContact C-N 3.29Å; E509-C523 CarbonylContact C-O 3.55Å; E509-C523 WeakPolarHBondContact CA-O 3.15Å; E509-Q525 PolarHBondContact OE1-N 3.07Å |
| 510 | G | 70.8 | Confident | 73.7 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 4.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116 | G462 Q463 A508 W522 C523 | G462-G510 CarbonylContact C-O 3.58Å; Q463-G510 VanDerWaalsContact CG-O 3.3Å; Q463-G510 WeakPolarHBondContact CG-O 3.46Å; A508-G510 PolarHBondContact O-N 2.83Å; G510-W522 VanDerWaalsContact CA-CE3 3.43Å; G510-C523 PolarHBondContact N-O 3.23Å |
| 511 | T | 76.1 | Confident | 73.4 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | trans | -57.6 | 140.5 | 165 | -57.5 | 0 | 0 | 0 | 0 | 109.5 | G462 A467 Q470 V487 A507 A508 E509 W522 C523 | G462-T511 WeakPolarHBondContact CA-OG1 3.48Å; G462-T511 WeakPolarHBondContact O-CA 3.22Å; A467-T511 HydrophobicContact CB-CG2 3.73Å; Q470-T511 PolarHBondContact NE2-OG1 2.86Å; V487-T511 HydrophobicContact CG2-CG2 4.31Å; A507-T511 HydrophobicContact CB-CG2 3.9Å; A508-T511 VanDerWaalsContact O-CB 3.29Å; A508-T511 WeakPolarHBondContact O-CB 3.43Å; A508-T511 PolarHBondContact O-N 3.28Å; A508-T511 PolarHBondContact O-OG1 3.14Å; E509-T511 VanDerWaalsContact C-N 3.29Å; T511-W522 CarbonylContact O-C 2.84Å; T511-W522 VanDerWaalsContact O-CA 3.31Å; T511-W522 WeakPolarHBondContact O-CA 3.44Å; T511-C523 PolarHBondContact O-N 2.98Å; T511-C523 PolarHBondContact O-SG 2.83Å | ||
| 512 | L | 76.8 | Confident | 73.3 | Confident | 115 Ų | 115 | 53.4 Ų | 53.4 | 60% | 0.602 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 136.6 | 177 | -59.9 | -177.9 | 0 | 0 | 0 | 111 | F531 | L512-F531 HydrophobicContact CD2-CE2 4.46Å; L512-F531 HydrophobicContact CD2-CZ 3.69Å |
| 513 | C | 78.1 | Confident | 73.3 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 161.1 | 178.9 | 68 | 0 | 0 | 0 | 0 | 111.9 | V487 C488 G521 W522 C528 | V487-C513 HydrophobicContact CG1-CB 3.59Å; C488-C513 WeakPolarHBondContact SG-CB 3.28Å; C488-C513 VanDerWaalsContact SG-SG 3.6Å; C513-G521 PolarHBondContact N-O 2.77Å; C513-G521 PolarHBondContact O-N 3.39Å; C513-W522 PolarHBondContact SG-N 3.48Å; C513-C528 VanDerWaalsContact C-SG 3.55Å; C513-C528 HydrophobicContact CB-CB 3.76Å; C513-C528 WeakPolarHBondContact CB-SG 3.3Å; C513-C528 WeakPolarHBondContact SG-CA 3.46Å; C513-C528 WeakPolarHBondContact SG-CB 3.31Å; C513-C528 CovalentContact SG-SG 2.03Å; C513-C528 PolarHBondContact SG-SG 2.94Å |
| 514 | Q | 77.4 | Confident | 73.7 | Confident | 141 Ų | 141 | 50.1 Ų | 50.1 | 66% | 0.659 | 28% | 0.284 | S | S | * | . | trans | -146.9 | 137.1 | 179.3 | -171 | -179.5 | 6.6 | 0 | 0 | 108.7 | I518 | Q514-I518 WeakPolarHBondContact CA-O 3.44Å; Q514-I518 WeakPolarHBondContact CG-O 3.45Å | ||
| 515 | T | 76.6 | Confident | 73.8 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 26% | 0.258 | 29% | 0.293 | S | S | . | . | trans | -129.3 | 175.9 | 173.9 | 71.1 | 0 | 0 | 0 | 0 | 109.9 | S517 I518 C528 | T515-S517 PolarHBondContact O-N 2.96Å; T515-S517 VanDerWaalsContact O-N 3.08Å; T515-S517 PolarHBondContact OG1-N 3.44Å; T515-S517 PolarHBondContact OG1-OG 3.42Å; T515-I518 PolarHBondContact N-O 3.26Å; T515-I518 PolarHBondContact O-N 2.94Å; T515-I518 WeakPolarHBondContact OG1-CB 3.5Å; T515-I518 PolarHBondContact OG1-N 3.01Å; T515-I518 VanDerWaalsContact OG1-N 3.14Å; T515-C528 HydrophobicContact CG2-CB 3.66Å | ||
| 516 | G | 74.1 | Confident | 73.9 | Confident | 98 Ų | 98 | 52.4 Ų | 52.4 | 100% | 1.01 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -62.3 | -11.6 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 517 | S | 74.1 | Confident | 74 | Confident | 107 Ų | 107 | 55.9 Ų | 55.9 | 75% | 0.748 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -119 | -10.6 | 177.9 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | T515 | T515-S517 PolarHBondContact O-N 2.96Å; T515-S517 VanDerWaalsContact O-N 3.08Å; T515-S517 PolarHBondContact OG1-N 3.44Å; T515-S517 PolarHBondContact OG1-OG 3.42Å |
| 518 | I | 73.5 | Confident | 74.1 | Confident | 36 Ų | 36 | 56.1 Ų | 56.1 | 19% | 0.185 | 31% | 0.31 | C | S | . | . | trans | -128.3 | 101.8 | -175.5 | -58.9 | 173.1 | 0 | 0 | 0 | 108.9 | Q514 T515 K520 C528 | Q514-I518 WeakPolarHBondContact CA-O 3.44Å; Q514-I518 WeakPolarHBondContact CG-O 3.45Å; T515-I518 PolarHBondContact N-O 3.26Å; T515-I518 PolarHBondContact O-N 2.94Å; T515-I518 WeakPolarHBondContact OG1-CB 3.5Å; T515-I518 PolarHBondContact OG1-N 3.01Å; T515-I518 VanDerWaalsContact OG1-N 3.14Å; I518-K520 VanDerWaalsContact C-N 3.33Å; I518-K520 PolarHBondContact O-N 2.74Å; I518-C528 WeakPolarHBondContact CD1-O 3.22Å | ||
| 519 | E | 69.7 | Low | 74.5 | Confident | 169 Ų | 169 | 56.8 Ų | 56.8 | 79% | 0.79 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -68.7 | -30 | 179 | -63.8 | -171.9 | 156 | 0 | 0 | 113.6 | ||
| 520 | K | 72.1 | Confident | 74.6 | Confident | 158 Ų | 158 | 56.8 Ų | 56.8 | 69% | 0.687 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -142.7 | 106.9 | 177 | -68.2 | -172.4 | -179.6 | -178.1 | 0 | 109 | I518 F531 | I518-K520 VanDerWaalsContact C-N 3.33Å; I518-K520 PolarHBondContact O-N 2.74Å; K520-F531 HydrophobicContact CB-CD2 3.91Å; K520-F531 HydrophobicContact CB-CE2 3.96Å; K520-F531 WeakPolarHBondContact O-CD2 3.23Å |
| 521 | G | 72.7 | Confident | 74.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C513 V529 F531 | C513-G521 PolarHBondContact N-O 2.77Å; C513-G521 PolarHBondContact O-N 3.39Å; G521-V529 CarbonylContact C-O 3.58Å; G521-V529 WeakPolarHBondContact CA-O 3.37Å; G521-F531 WeakPolarHBondContact O-CE2 3.38Å |
| 522 | W | 76.6 | Confident | 73.3 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 11% | 0.114 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145.4 | 171.9 | 73 | -44.1 | 0 | 0 | 0 | 109.5 | A460 Q463 G510 T511 C513 Y524 V529 A530 F531 | A460-W522 HydrophobicContact CB-CZ3 4.31Å; Q463-W522 VanDerWaalsContact NE2-CE3 3.29Å; G510-W522 VanDerWaalsContact CA-CE3 3.43Å; T511-W522 CarbonylContact O-C 2.84Å; T511-W522 VanDerWaalsContact O-CA 3.31Å; T511-W522 WeakPolarHBondContact O-CA 3.44Å; C513-W522 PolarHBondContact SG-N 3.48Å; W522-Y524 HydrophobicContact CH2-CD2 4.08Å; W522-Y524 AromaticContact CZ2-CD2 3.97Å; W522-Y524 HydrophobicContact CZ2-CD2 3.97Å; W522-V529 PolarHBondContact N-O 3.15Å; W522-V529 VanDerWaalsContact NE1-CG2 3.28Å; W522-V529 PolarHBondContact O-N 2.94Å; W522-V529 VanDerWaalsContact O-N 3.07Å; W522-A530 PolarHBondContact NE1-O 3.33Å; W522-F531 HydrophobicContact CB-CE1 3.95Å; W522-F531 HydrophobicContact CB-CZ 4.1Å; W522-F531 HydrophobicContact CG-CD1 4.47Å; W522-F531 HydrophobicContact CG-CE1 4.31Å |
| 523 | C | 73.9 | Confident | 72.4 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.014 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 128.5 | -178 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | C488 E509 G510 T511 | C488-C523 WeakPolarHBondContact CA-SG 3.29Å; C488-C523 HydrophobicContact CB-CB 3.57Å; C488-C523 WeakPolarHBondContact CB-SG 3.39Å; C488-C523 WeakPolarHBondContact SG-CA 3.39Å; C488-C523 WeakPolarHBondContact SG-CB 3.24Å; C488-C523 CovalentContact SG-SG 2.04Å; C488-C523 PolarHBondContact SG-SG 2.97Å; E509-C523 CarbonylContact C-O 3.55Å; E509-C523 WeakPolarHBondContact CA-O 3.15Å; G510-C523 PolarHBondContact N-O 3.23Å; T511-C523 PolarHBondContact O-N 2.98Å; T511-C523 PolarHBondContact O-SG 2.83Å |
| 524 | Y | 74.1 | Confident | 71.2 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 10% | 0.102 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 123.6 | 179.1 | -176.3 | -93.8 | 0 | 0 | 0 | 109.8 | W522 G526 E527 V529 P535 | W522-Y524 HydrophobicContact CH2-CD2 4.08Å; W522-Y524 AromaticContact CZ2-CD2 3.97Å; W522-Y524 HydrophobicContact CZ2-CD2 3.97Å; Y524-G526 PolarHBondContact O-N 2.95Å; Y524-E527 PolarHBondContact N-O 3.3Å; Y524-E527 PolarHBondContact O-N 2.97Å; Y524-E527 VanDerWaalsContact O-N 3.11Å; Y524-V529 HydrophobicContact CG-CG2 4.45Å; Y524-P535 HydrophobicContact CE1-CG 4.11Å |
| 525 | Q | 68 | Low | 70 | Confident | 81 Ų | 81 | 64.9 Ų | 64.9 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 29.3 | -175 | -59.6 | -172 | -73.5 | 0 | 0 | 115 | P422 E509 | P422-Q525 HydrophobicContact CB-CB 4.42Å; E509-Q525 PolarHBondContact OE1-N 3.07Å |
| 526 | G | 69.1 | Low | 69 | Low | 6 Ų | 6 | 71.5 Ų | 71.5 | 6% | 0.062 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | -10.7 | 177 | 0 | 0 | 0 | 0 | 0 | 116.7 | N421 C488 R489 Y524 | N421-G526 VanDerWaalsContact CG-CA 3.45Å; N421-G526 WeakPolarHBondContact ND2-CA 3.44Å; N421-G526 VanDerWaalsContact OD1-CA 3.24Å; N421-G526 WeakPolarHBondContact OD1-CA 3.47Å; C488-G526 CarbonylContact C-O 3.57Å; C488-G526 VanDerWaalsContact CB-O 3.26Å; C488-G526 WeakPolarHBondContact CB-O 3.23Å; C488-G526 CarbonylContact O-C 3.5Å; C488-G526 WeakPolarHBondContact O-CA 3.41Å; R489-G526 VanDerWaalsContact CG-O 3.26Å; R489-G526 WeakPolarHBondContact CG-O 3.34Å; R489-G526 PolarHBondContact N-O 2.86Å; Y524-G526 PolarHBondContact O-N 2.95Å |
| 527 | E | 76.9 | Confident | 68.3 | Low | 84 Ų | 84 | 70.4 Ų | 70.4 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 149.9 | -178.7 | -57.8 | -70 | 123.1 | 0 | 0 | 110.5 | R489 Y524 V529 | R489-E527 IonicContact CZ-OE1 3.66Å; R489-E527 IonicContact NE-OE1 3.79Å; R489-E527 PolarHBondContact NE-OE1 2.92Å; R489-E527 IonicContact NE-OE2 3.47Å; R489-E527 IonicContact NH2-OE1 3.99Å; R489-E527 PolarHBondContact NH2-OE1 3.26Å; R489-E527 IonicContact NH2-OE2 3.07Å; Y524-E527 PolarHBondContact N-O 3.3Å; Y524-E527 PolarHBondContact O-N 2.97Å; Y524-E527 VanDerWaalsContact O-N 3.11Å; E527-V529 PolarHBondContact O-N 3.48Å |
| 528 | C | 80.6 | Confident | 68.2 | Low | 11 Ų | 11 | 68.2 Ų | 68.2 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 110.1 | 170.2 | -174 | 0 | 0 | 0 | 0 | 110.6 | E486 C513 T515 I518 | E486-C528 WeakPolarHBondContact OE1-CB 3.45Å; E486-C528 PolarHBondContact OE1-N 2.84Å; C513-C528 VanDerWaalsContact C-SG 3.55Å; C513-C528 HydrophobicContact CB-CB 3.76Å; C513-C528 WeakPolarHBondContact CB-SG 3.3Å; C513-C528 WeakPolarHBondContact SG-CA 3.46Å; C513-C528 WeakPolarHBondContact SG-CB 3.31Å; C513-C528 CovalentContact SG-SG 2.03Å; C513-C528 PolarHBondContact SG-SG 2.94Å; T515-C528 HydrophobicContact CG2-CB 3.66Å; I518-C528 WeakPolarHBondContact CD1-O 3.22Å |
| 529 | V | 80.2 | Confident | 68 | Low | 30 Ų | 30 | 70 Ų | 70 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 159.1 | 177.6 | -48.3 | 0 | 0 | 0 | 0 | 111.3 | G521 W522 Y524 E527 | G521-V529 CarbonylContact C-O 3.58Å; G521-V529 WeakPolarHBondContact CA-O 3.37Å; W522-V529 PolarHBondContact N-O 3.15Å; W522-V529 VanDerWaalsContact NE1-CG2 3.28Å; W522-V529 PolarHBondContact O-N 2.94Å; W522-V529 VanDerWaalsContact O-N 3.07Å; Y524-V529 HydrophobicContact CG-CG2 4.45Å; E527-V529 PolarHBondContact O-N 3.48Å |
| 530 | A | 75.7 | Confident | 67.9 | Low | 44 Ų | 44 | 62.9 Ų | 62.9 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 154.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W522 G532 S533 | W522-A530 PolarHBondContact NE1-O 3.33Å; A530-G532 PolarHBondContact O-N 2.98Å; A530-S533 PolarHBondContact N-OG 3.04Å; A530-S533 PolarHBondContact O-N 3.37Å; A530-S533 PolarHBondContact O-OG 3.37Å |
| 531 | F | 63.1 | Low | 67.9 | Low | 111 Ų | 111 | 56.2 Ų | 56.2 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 121.5 | 173.9 | -82.6 | -74.2 | 0 | 0 | 0 | 111.7 | L512 K520 G521 W522 | L512-F531 HydrophobicContact CD2-CE2 4.46Å; L512-F531 HydrophobicContact CD2-CZ 3.69Å; K520-F531 HydrophobicContact CB-CD2 3.91Å; K520-F531 HydrophobicContact CB-CE2 3.96Å; K520-F531 WeakPolarHBondContact O-CD2 3.23Å; G521-F531 WeakPolarHBondContact O-CE2 3.38Å; W522-F531 HydrophobicContact CB-CE1 3.95Å; W522-F531 HydrophobicContact CB-CZ 4.1Å; W522-F531 HydrophobicContact CG-CD1 4.47Å; W522-F531 HydrophobicContact CG-CE1 4.31Å |
| 532 | G | 56.4 | Low | 68.1 | Low | 76 Ų | 76 | 58.7 Ų | 58.7 | 78% | 0.784 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -8.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A530 Q534 | A530-G532 PolarHBondContact O-N 2.98Å; G532-Q534 VanDerWaalsContact C-N 3.27Å; G532-Q534 PolarHBondContact O-N 3.18Å |
| 533 | S | 57.1 | Low | 67.6 | Low | 60 Ų | 60 | 57.5 Ų | 57.5 | 42% | 0.42 | 34% | 0.335 | S | S | . | . | trans | -84.4 | 63.6 | 176 | 65.9 | 0 | 0 | 0 | 0 | 112.2 | A530 | A530-S533 PolarHBondContact N-OG 3.04Å; A530-S533 PolarHBondContact O-N 3.37Å; A530-S533 PolarHBondContact O-OG 3.37Å | ||
| 534 | Q | 53.4 | Low | 67.1 | Low | 129 Ų | 129 | 62.7 Ų | 62.7 | 60% | 0.603 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -84 | 126.4 | 167.6 | -175.2 | 176.2 | -11.2 | 0 | 0 | 109.1 | G532 | G532-Q534 VanDerWaalsContact C-N 3.27Å; G532-Q534 PolarHBondContact O-N 3.18Å |
| 535 | P | 52.7 | Low | 67.3 | Low | 63 Ų | 63 | 65 Ų | 65 | 41% | 0.409 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 147.9 | 172.9 | -21.7 | 33.5 | 0 | 0 | 0 | 111.9 | Y524 | Y524-P535 HydrophobicContact CE1-CG 4.11Š|
| 536 | E | 55.1 | Low | 67.2 | Low | 180 Ų | 180 | 63.4 Ų | 63.4 | 84% | 0.841 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 137.4 | 172.1 | -65.3 | -169.2 | 147.8 | 0 | 0 | 110.6 | ||
| 537 | S | 59.7 | Low | 67.6 | Low | 76 Ų | 76 | 70.9 Ų | 70.9 | 53% | 0.531 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 120 | 178.8 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | G573 | S537-G573 WeakPolarHBondContact CB-O 3.25Š|
| 538 | V | 71.2 | Confident | 68 | Low | 60 Ų | 60 | 70.8 Ų | 70.8 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -102.4 | 111.4 | 176.1 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | P569 P571 S572 G575 | V538-P569 HydrophobicContact CG1-CB 4.33Å; V538-P569 HydrophobicContact CG1-CG 3.95Å; V538-P571 WeakPolarHBondContact O-CA 3.23Å; V538-S572 PolarHBondContact N-O 2.98Å; V538-S572 PolarHBondContact O-N 3.47Å; V538-G575 WeakPolarHBondContact O-CA 3.33Å |
| 539 | D | 70.2 | Confident | 68 | Low | 74 Ų | 74 | 72.2 Ų | 72.2 | 40% | 0.396 | 43% | 0.426 | S | S | . | . | trans | -66.7 | 139 | 171.4 | -78.3 | 1.8 | 0 | 0 | 0 | 110 | G575 K576 | D539-G575 VanDerWaalsContact OD1-CA 3.31Å; D539-G575 WeakPolarHBondContact OD1-CA 3.04Å; D539-K576 WeakPolarHBondContact OD1-CG 3.18Å; D539-K576 PolarHBondContact OD1-N 3.02Å; D539-K576 IonicContact OD1-NZ 2.59Å; D539-K576 IonicContact OD2-NZ 3.9Å; D539-K576 PolarHBondContact OD2-NZ 3.43Å | ||
| 540 | G | 67.4 | Low | 68.5 | Low | 19 Ų | 19 | 79.9 Ų | 79.9 | 20% | 0.196 | 46% | 0.46 | C | S | . | . | trans | -77.6 | 148.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P569 K576 C578 | G540-P569 CarbonylContact C-O 3.54Å; G540-P569 VanDerWaalsContact CA-O 3.25Å; G540-P569 WeakPolarHBondContact CA-O 3.36Å; G540-K576 PolarHBondContact N-O 3.13Å; G540-C578 PolarHBondContact O-SG 2.8Å; G540-C578 VanDerWaalsContact O-SG 3.35Å | ||
| 541 | G | 70.8 | Confident | 69.3 | Low | 18 Ų | 18 | 79.4 Ų | 79.4 | 19% | 0.186 | 45% | 0.453 | C | S | . | . | trans | -115 | 149.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G543 C566 D567 S568 P569 C578 | G541-G543 PolarHBondContact O-N 2.91Å; G541-C566 CarbonylContact O-C 3.59Å; G541-D567 PolarHBondContact O-N 2.64Å; G541-D567 VanDerWaalsContact O-N 3.15Å; G541-S568 CarbonylContact C-O 3.55Å; G541-S568 WeakPolarHBondContact CA-O 3.14Å; G541-S568 CarbonylContact O-C 3.55Å; G541-S568 PolarHBondContact O-N 3.46Å; G541-P569 PolarHBondContact N-O 2.71Å; G541-C578 PolarHBondContact O-SG 2.99Å | ||
| 542 | W | 77.8 | Confident | 70.6 | Confident | 52 Ų | 52 | 75.8 Ų | 75.8 | 20% | 0.197 | 44% | 0.442 | C | S | . | . | B | Isolated β-bridge | trans | -71.7 | 125 | 176.9 | -76.7 | 117.9 | 0 | 0 | 0 | 111.3 | R564 C566 C578 L579 R582 | W542-R564 HydrophobicContact CD2-CG 4.35Å; W542-R564 HydrophobicContact CE3-CG 3.74Å; W542-R564 HydrophobicContact CZ3-CG 4.23Å; W542-C566 HydrophobicContact CZ3-CB 4.33Å; W542-C578 HydrophobicContact CD2-CB 3.71Å; W542-C578 HydrophobicContact CE3-CB 4.14Å; W542-C578 HydrophobicContact CG-CB 4.2Å; W542-C578 HydrophobicContact CH2-CB 3.91Å; W542-C578 HydrophobicContact CZ2-CB 3.49Å; W542-C578 VanDerWaalsContact CZ2-CB 3.49Å; W542-C578 HydrophobicContact CZ3-CB 4.23Å; W542-L579 PolarHBondContact NE1-O 3.47Å; W542-R582 HydrophobicContact CH2-CB 3.7Å; W542-R582 HydrophobicContact CZ3-CB 4.06Å |
| 543 | G | 65.3 | Low | 72.2 | Confident | 6 Ų | 6 | 73.8 Ų | 73.8 | 6% | 0.062 | 41% | 0.41 | C | S | . | . | trans | -68.1 | 175.5 | 167 | 0 | 0 | 0 | 0 | 0 | 113.8 | G541 H565 D567 S568 | G541-G543 PolarHBondContact O-N 2.91Å; G543-H565 PolarHBondContact N-O 3.15Å; G543-D567 VanDerWaalsContact CA-OD1 3.23Å; G543-D567 WeakPolarHBondContact CA-OD1 3.46Å; G543-D567 PolarHBondContact N-OD1 2.87Å; G543-S568 VanDerWaalsContact CA-OG 3.28Å; G543-S568 WeakPolarHBondContact CA-OG 3.42Å | ||
| 544 | P | 65.4 | Low | 73.7 | Confident | 111 Ų | 111 | 77.1 Ų | 77.1 | 72% | 0.721 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 154.4 | 176.6 | 27.8 | -35.1 | 0 | 0 | 0 | 111.4 | R564 | P544-R564 WeakPolarHBondContact O-CB 3.24Š|
| 545 | W | 77.3 | Confident | 75.4 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 28% | 0.28 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 134.4 | 169.4 | -71.7 | 104.1 | 0 | 0 | 0 | 110.6 | S562 R564 E581 R584 | W545-S562 WeakPolarHBondContact CZ3-O 3.17Å; W545-R564 HydrophobicContact CD2-CB 4.28Å; W545-R564 HydrophobicContact CD2-CG 4.08Å; W545-R564 HydrophobicContact CE3-CB 4.05Å; W545-R564 HydrophobicContact CE3-CG 3.85Å; W545-R564 HydrophobicContact CH2-CG 4.08Å; W545-R564 HydrophobicContact CZ2-CG 4.29Å; W545-R564 HydrophobicContact CZ3-CB 4.46Å; W545-R564 HydrophobicContact CZ3-CG 3.85Å; W545-E581 HydrophobicContact CH2-CB 4.12Å; W545-E581 WeakPolarHBondContact CH2-O 3.14Å; W545-E581 HydrophobicContact CZ2-CB 4.32Å; W545-R584 VanDerWaalsContact CB-NH2 3.32Å; W545-R584 HydrophobicContact CD2-CG 4.39Å; W545-R584 HydrophobicContact CE3-CG 3.85Å; W545-R584 HydrophobicContact CH2-CB 4.03Å; W545-R584 HydrophobicContact CH2-CG 3.97Å; W545-R584 HydrophobicContact CZ2-CG 4.48Å; W545-R584 HydrophobicContact CZ3-CB 4.09Å; W545-R584 HydrophobicContact CZ3-CG 3.63Å |
| 546 | S | 65.7 | Low | 76.7 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 33% | 0.329 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 156.8 | 168.1 | 78.3 | 0 | 0 | 0 | 0 | 110.7 | S562 M563 | S546-S562 PolarHBondContact O-OG 2.95Å; S546-S562 WeakPolarHBondContact OG-CA 3.39Å; S546-M563 WeakPolarHBondContact CB-O 3.35Å; S546-M563 PolarHBondContact N-O 2.97Å; S546-M563 PolarHBondContact OG-N 3.47Å; S546-M563 PolarHBondContact OG-O 3.29Å |
| 547 | L | 78.3 | Confident | 78.2 | Confident | 163 Ų | 163 | 61.4 Ų | 61.4 | 85% | 0.853 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 152.3 | 158.5 | -62.3 | 179.5 | 0 | 0 | 0 | 110 | G549 | L547-G549 PolarHBondContact O-N 2.83Š|
| 548 | W | 85.3 | Confident | 79.6 | Confident | 82 Ų | 82 | 57.8 Ų | 57.8 | 31% | 0.311 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 124.8 | 173.4 | -70.4 | 104 | 0 | 0 | 0 | 109.5 | R584 R586 | W548-R584 HydrophobicContact CH2-CB 4.46Å; W548-R584 HydrophobicContact CH2-CG 3.74Å; W548-R584 HydrophobicContact CZ2-CG 4.36Å; W548-R584 HydrophobicContact CZ3-CG 4.16Å; W548-R586 VanDerWaalsContact CB-NH2 3.33Å; W548-R586 HydrophobicContact CD2-CG 4.21Å; W548-R586 VanDerWaalsContact CD2-NE 3.32Å; W548-R586 HydrophobicContact CE3-CG 3.77Å; W548-R586 VanDerWaalsContact CG-CZ 3.49Å; W548-R586 HydrophobicContact CH2-CB 4Å; W548-R586 HydrophobicContact CH2-CG 3.97Å; W548-R586 HydrophobicContact CZ2-CG 4.4Å; W548-R586 HydrophobicContact CZ3-CB 4.06Å; W548-R586 HydrophobicContact CZ3-CG 3.65Å |
| 549 | G | 79.9 | Confident | 80.5 | Confident | 41 Ų | 41 | 55.2 Ų | 55.2 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 170.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L547 S560 S561 | L547-G549 PolarHBondContact O-N 2.83Å; G549-S560 PolarHBondContact O-OG 2.86Å; G549-S561 PolarHBondContact N-O 3.39Å |
| 550 | E | 90.6 | Very high | 81.4 | Confident | 192 Ų | 192 | 51.8 Ų | 51.8 | 90% | 0.897 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 156 | 179.1 | -59.7 | -172.3 | 143.6 | 0 | 0 | 112.5 | ||
| 551 | C | 92.2 | Very high | 82.4 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 131.2 | 177.4 | -163.8 | 0 | 0 | 0 | 0 | 110.1 | R553 C588 N589 | C551-R553 PolarHBondContact O-N 2.74Å; C551-R553 VanDerWaalsContact O-N 3.1Å; C551-R553 PolarHBondContact SG-O 2.65Å; C551-C588 VanDerWaalsContact CA-SG 3.51Å; C551-C588 HydrophobicContact CB-CB 3.86Å; C551-C588 WeakPolarHBondContact CB-SG 3.49Å; C551-C588 VanDerWaalsContact SG-C 3.56Å; C551-C588 WeakPolarHBondContact SG-CB 3.46Å; C551-C588 CovalentContact SG-SG 2.02Å; C551-C588 PolarHBondContact SG-SG 3.15Å; C551-N589 WeakPolarHBondContact CB-ND2 3.3Å |
| 552 | S | 91.8 | Very high | 83 | Confident | 35 Ų | 35 | 51.6 Ų | 51.6 | 25% | 0.245 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -64 | -16.2 | -177.8 | 64.7 | 0 | 0 | 0 | 0 | 115.3 | V559 F600 D652 | S552-V559 WeakPolarHBondContact CB-O 3.01Å; S552-V559 PolarHBondContact N-O 2.55Å; S552-V559 PolarHBondContact OG-N 2.79Å; S552-V559 PolarHBondContact OG-O 3.25Å; S552-F600 WeakPolarHBondContact O-CZ 3.14Å; S552-D652 WeakPolarHBondContact CB-O 3.3Å; S552-D652 PolarHBondContact OG-O 3.03Å |
| 553 | R | 89.6 | Confident | 82.8 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 13% | 0.128 | 30% | 0.3 | C | S | . | . | trans | -139.1 | 149.6 | 178.3 | -63.8 | 174.2 | 58.3 | -156.5 | -8.4 | 110 | C551 C555 G556 G557 N589 F600 G653 | C551-R553 PolarHBondContact O-N 2.74Å; C551-R553 VanDerWaalsContact O-N 3.1Å; C551-R553 PolarHBondContact SG-O 2.65Å; R553-C555 VanDerWaalsContact CZ-O 3.32Å; R553-C555 PolarHBondContact NE-O 2.77Å; R553-C555 PolarHBondContact NH2-O 3.04Å; R553-G556 PolarHBondContact NH1-O 3.18Å; R553-G556 PolarHBondContact NH2-O 2.87Å; R553-G557 PolarHBondContact NH1-O 2.81Å; R553-N589 PolarHBondContact O-ND2 2.79Å; R553-F600 HydrophobicContact CG-CD1 3.91Å; R553-F600 HydrophobicContact CG-CD2 4.15Å; R553-F600 HydrophobicContact CG-CE1 3.64Å; R553-F600 HydrophobicContact CG-CE2 3.91Å; R553-F600 HydrophobicContact CG-CG 4.15Å; R553-F600 HydrophobicContact CG-CZ 3.65Å; R553-G653 VanDerWaalsContact CD-O 3.25Å; R553-G653 WeakPolarHBondContact CD-O 3.27Å; R553-G653 PolarHBondContact NH1-O 3.03Å; R553-G653 VanDerWaalsContact NH1-O 3.16Å | ||
| 554 | T | 89.2 | Confident | 83.3 | Confident | 130 Ų | 130 | 55.4 Ų | 55.4 | 80% | 0.798 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -85.9 | -14.3 | 176.1 | 47.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 555 | C | 87.8 | Confident | 83.3 | Confident | 27 Ų | 27 | 54.8 Ų | 54.8 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -158.9 | 164.6 | 179 | 59.3 | 0 | 0 | 0 | 0 | 111.3 | R553 N589 C593 | R553-C555 VanDerWaalsContact CZ-O 3.32Å; R553-C555 PolarHBondContact NE-O 2.77Å; R553-C555 PolarHBondContact NH2-O 3.04Å; C555-N589 CarbonylContact C-O 3.5Å; C555-C593 HydrophobicContact CB-CB 3.96Å; C555-C593 WeakPolarHBondContact CB-SG 3.46Å; C555-C593 PolarHBondContact O-SG 3Å; C555-C593 VanDerWaalsContact O-SG 3.36Å; C555-C593 WeakPolarHBondContact SG-CA 3.39Å; C555-C593 WeakPolarHBondContact SG-CB 3.4Å; C555-C593 CovalentContact SG-SG 2.05Å; C555-C593 PolarHBondContact SG-SG 3.04Å |
| 556 | G | 81 | Confident | 83 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 72.8 | 28.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R553 N589 D591 | R553-G556 PolarHBondContact NH1-O 3.18Å; R553-G556 PolarHBondContact NH2-O 2.87Å; G556-N589 PolarHBondContact N-O 2.78Å; G556-D591 WeakPolarHBondContact CA-O 3.46Å; G556-D591 PolarHBondContact N-O 2.92Å |
| 557 | G | 85.6 | Confident | 83 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 85.4 | 86.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R553 N589 | R553-G557 PolarHBondContact NH1-O 2.81Å; G557-N589 PolarHBondContact N-O 2.98Å |
| 558 | G | 88.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 172.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S587 C588 | G558-S587 WeakPolarHBondContact O-CA 3.25Å; G558-C588 VanDerWaalsContact C-SG 3.6Å; G558-C588 WeakPolarHBondContact CA-O 3.37Å; G558-C588 PolarHBondContact N-O 2.99Å; G558-C588 PolarHBondContact O-N 2.86Å |
| 559 | V | 91.4 | Very high | 81.6 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.6 | 178.9 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | S552 Y585 R586 D652 I663 I665 | S552-V559 WeakPolarHBondContact CB-O 3.01Å; S552-V559 PolarHBondContact N-O 2.55Å; S552-V559 PolarHBondContact OG-N 2.79Å; S552-V559 PolarHBondContact OG-O 3.25Å; V559-Y585 HydrophobicContact CG1-CD1 3.58Å; V559-Y585 HydrophobicContact CG1-CE1 4.29Å; V559-Y585 HydrophobicContact CG1-CG 4.45Å; V559-R586 WeakPolarHBondContact CA-O 3.33Å; V559-D652 HydrophobicContact CB-CB 4.32Å; V559-D652 HydrophobicContact CG1-CB 4.39Å; V559-I663 HydrophobicContact CG2-CD1 3.51Å; V559-I663 HydrophobicContact CG2-CG1 4.44Å; V559-I665 HydrophobicContact CG1-CD1 4.11Å; V559-I665 HydrophobicContact CG2-CD1 3.91Å; V559-I665 HydrophobicContact CG2-CG1 4.16Å |
| 560 | S | 89.8 | Confident | 80.6 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 144.9 | 171.3 | 167.5 | 0 | 0 | 0 | 0 | 108.6 | G549 Y585 R586 C588 | G549-S560 PolarHBondContact O-OG 2.86Å; S560-Y585 WeakPolarHBondContact O-CA 3.2Å; S560-R586 PolarHBondContact N-O 3.41Å; S560-R586 PolarHBondContact O-N 3.47Å; S560-C588 PolarHBondContact N-SG 3.49Å; S560-C588 VanDerWaalsContact N-SG 3.4Å |
| 561 | S | 87 | Confident | 79.3 | Confident | 32 Ų | 32 | 39.6 Ų | 39.6 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 154.2 | -178.8 | 73.9 | 0 | 0 | 0 | 0 | 113.2 | G549 K583 R584 | G549-S561 PolarHBondContact N-O 3.39Å; S561-K583 VanDerWaalsContact OG-CE 3.26Å; S561-K583 WeakPolarHBondContact OG-CE 3.49Å; S561-R584 VanDerWaalsContact CA-O 3.26Å; S561-R584 WeakPolarHBondContact CA-O 3.48Å; S561-R584 WeakPolarHBondContact CB-O 3.36Å |
| 562 | S | 83.4 | Confident | 77.9 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 137.9 | 179.3 | 161.9 | 0 | 0 | 0 | 0 | 107.3 | W545 S546 K583 R584 | W545-S562 WeakPolarHBondContact CZ3-O 3.17Å; S546-S562 PolarHBondContact O-OG 2.95Å; S546-S562 WeakPolarHBondContact OG-CA 3.39Å; S562-K583 CarbonylContact O-C 3.3Å; S562-K583 WeakPolarHBondContact O-CA 3.41Å; S562-R584 PolarHBondContact N-O 3.4Å; S562-R584 WeakPolarHBondContact O-CG 3.44Å; S562-R584 PolarHBondContact O-N 2.92Å; S562-R584 PolarHBondContact OG-NE 3Å; S562-R584 PolarHBondContact OG-NH2 2.7Å |
| 563 | M | 73.4 | Confident | 76.1 | Confident | 86 Ų | 86 | 39.6 Ų | 39.6 | 42% | 0.424 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 164.1 | -174.8 | 72 | 176.8 | 82.5 | 0 | 0 | 111.7 | S546 R582 K583 | S546-M563 WeakPolarHBondContact CB-O 3.35Å; S546-M563 PolarHBondContact N-O 2.97Å; S546-M563 PolarHBondContact OG-N 3.47Å; S546-M563 PolarHBondContact OG-O 3.29Å; M563-R582 CarbonylContact C-O 3.41Å; M563-R582 VanDerWaalsContact CA-O 3.3Å; M563-R582 WeakPolarHBondContact CA-O 3.46Å; M563-K583 HydrophobicContact CB-CG 4.47Å |
| 564 | R | 75.4 | Confident | 74.5 | Confident | 53 Ų | 53 | 41.3 Ų | 41.3 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | trans | -142.8 | 158.4 | 170.2 | 59.4 | 177.8 | 179.6 | 168 | -0.3 | 111.1 | W542 P544 W545 E581 R582 | W542-R564 HydrophobicContact CD2-CG 4.35Å; W542-R564 HydrophobicContact CE3-CG 3.74Å; W542-R564 HydrophobicContact CZ3-CG 4.23Å; P544-R564 WeakPolarHBondContact O-CB 3.24Å; W545-R564 HydrophobicContact CD2-CB 4.28Å; W545-R564 HydrophobicContact CD2-CG 4.08Å; W545-R564 HydrophobicContact CE3-CB 4.05Å; W545-R564 HydrophobicContact CE3-CG 3.85Å; W545-R564 HydrophobicContact CH2-CG 4.08Å; W545-R564 HydrophobicContact CZ2-CG 4.29Å; W545-R564 HydrophobicContact CZ3-CB 4.46Å; W545-R564 HydrophobicContact CZ3-CG 3.85Å; R564-E581 VanDerWaalsContact CZ-O 3.26Å; R564-E581 PolarHBondContact NE-O 2.79Å; R564-E581 PolarHBondContact NH2-O 3.45Å; R564-R582 PolarHBondContact N-O 2.94Å | ||
| 565 | H | 67 | Low | 73.1 | Confident | 97 Ų | 97 | 35.5 Ų | 35.5 | 45% | 0.449 | 23% | 0.233 | S | C | . | . | trans | -115.1 | 162.8 | -177.4 | -56.6 | -45.2 | 0 | 0 | 0 | 111.5 | G543 D567 | G543-H565 PolarHBondContact N-O 3.15Å; H565-D567 WeakPolarHBondContact CB-OD2 3.39Å; H565-D567 PolarHBondContact O-N 2.85Å | ||
| 566 | C | 69.3 | Low | 72.1 | Confident | 11 Ų | 11 | 41 Ų | 41 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -95.1 | 77.8 | 177.7 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | G541 W542 P571 Y577 C578 | G541-C566 CarbonylContact O-C 3.59Å; W542-C566 HydrophobicContact CZ3-CB 4.33Å; C566-P571 WeakPolarHBondContact O-CD 3.43Å; C566-Y577 HydrophobicContact CB-CD2 4.12Å; C566-Y577 HydrophobicContact CB-CE1 4.15Å; C566-Y577 HydrophobicContact CB-CE2 3.5Å; C566-Y577 VanDerWaalsContact CB-CE2 3.5Å; C566-C578 VanDerWaalsContact CA-SG 3.52Å; C566-C578 HydrophobicContact CB-CB 3.7Å; C566-C578 WeakPolarHBondContact CB-SG 3.39Å; C566-C578 WeakPolarHBondContact SG-CB 3.31Å; C566-C578 PolarHBondContact SG-N 2.87Å; C566-C578 CovalentContact SG-SG 2.03Å; C566-C578 PolarHBondContact SG-SG 3.15Å |
| 567 | D | 67.6 | Low | 71.8 | Confident | 77 Ų | 77 | 42 Ų | 42 | 41% | 0.412 | 25% | 0.254 | S | S | . | . | trans | -136.1 | -4 | -167.4 | 58.6 | 15.3 | 0 | 0 | 0 | 113.8 | G541 G543 H565 P569 A570 | G541-D567 PolarHBondContact O-N 2.64Å; G541-D567 VanDerWaalsContact O-N 3.15Å; G543-D567 VanDerWaalsContact CA-OD1 3.23Å; G543-D567 WeakPolarHBondContact CA-OD1 3.46Å; G543-D567 PolarHBondContact N-OD1 2.87Å; H565-D567 WeakPolarHBondContact CB-OD2 3.39Å; H565-D567 PolarHBondContact O-N 2.85Å; D567-P569 CarbonylContact C-O 3.59Å; D567-P569 CarbonylContact O-C 3.23Å; D567-P569 VanDerWaalsContact O-C 3.24Å; D567-P569 WeakPolarHBondContact O-CA 3.32Å; D567-A570 PolarHBondContact O-N 3.13Å | ||
| 568 | S | 67.1 | Low | 71.5 | Confident | 64 Ų | 64 | 42.1 Ų | 42.1 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 69.2 | -168.4 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | G541 G543 | G541-S568 CarbonylContact C-O 3.55Å; G541-S568 WeakPolarHBondContact CA-O 3.14Å; G541-S568 CarbonylContact O-C 3.55Å; G541-S568 PolarHBondContact O-N 3.46Å; G543-S568 VanDerWaalsContact CA-OG 3.28Å; G543-S568 WeakPolarHBondContact CA-OG 3.42Å |
| 569 | P | 65.6 | Low | 71.3 | Confident | 69 Ų | 69 | 46.5 Ų | 46.5 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -81.9 | 164.1 | -1.8 | 34.9 | -36.9 | 0 | 0 | 0 | 112.7 | V538 G540 G541 D567 | V538-P569 HydrophobicContact CG1-CB 4.33Å; V538-P569 HydrophobicContact CG1-CG 3.95Å; G540-P569 CarbonylContact C-O 3.54Å; G540-P569 VanDerWaalsContact CA-O 3.25Å; G540-P569 WeakPolarHBondContact CA-O 3.36Å; G541-P569 PolarHBondContact N-O 2.71Å; D567-P569 CarbonylContact C-O 3.59Å; D567-P569 CarbonylContact O-C 3.23Å; D567-P569 VanDerWaalsContact O-C 3.24Å; D567-P569 WeakPolarHBondContact O-CA 3.32Å |
| 570 | A | 58.5 | Low | 70.7 | Confident | 53 Ų | 53 | 47.3 Ų | 47.3 | 44% | 0.438 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -73 | 141.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D567 S572 | D567-A570 PolarHBondContact O-N 3.13Å; A570-S572 PolarHBondContact O-N 3.21Å |
| 571 | P | 64.9 | Low | 70.1 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 137 | 174.3 | -16.2 | 24.6 | 0 | 0 | 0 | 111.6 | F270 V538 C566 Y577 | F270-P571 HydrophobicContact CB-CB 3.72Å; F270-P571 HydrophobicContact CB-CG 4.09Å; F270-P571 HydrophobicContact CD2-CB 4.44Å; F270-P571 HydrophobicContact CG-CB 4.13Å; V538-P571 WeakPolarHBondContact O-CA 3.23Å; C566-P571 WeakPolarHBondContact O-CD 3.43Å; P571-Y577 HydrophobicContact CG-CD2 4.06Å |
| 572 | S | 61.6 | Low | 69.7 | Low | 54 Ų | 54 | 49.8 Ų | 49.8 | 38% | 0.378 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -153.5 | 166.2 | 174.8 | 62.7 | 0 | 0 | 0 | 0 | 112.2 | V538 A570 G574 G575 | V538-S572 PolarHBondContact N-O 2.98Å; V538-S572 PolarHBondContact O-N 3.47Å; A570-S572 PolarHBondContact O-N 3.21Å; S572-G574 PolarHBondContact O-N 2.02Å; S572-G574 VanDerWaalsContact O-N 3.09Å; S572-G575 PolarHBondContact O-N 3.4Å |
| 573 | G | 54.8 | Low | 69.6 | Low | 16 Ų | 16 | 52 Ų | 52 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 17.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S537 | S537-G573 WeakPolarHBondContact CB-O 3.25Š|
| 574 | G | 55.5 | Low | 70.1 | Confident | 70 Ų | 70 | 51.8 Ų | 51.8 | 72% | 0.722 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 13.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115 | S572 | S572-G574 PolarHBondContact O-N 2.02Å; S572-G574 VanDerWaalsContact O-N 3.09Å |
| 575 | G | 60.1 | Low | 70.7 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -68 | 159.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V538 D539 S572 | V538-G575 WeakPolarHBondContact O-CA 3.33Å; D539-G575 VanDerWaalsContact OD1-CA 3.31Å; D539-G575 WeakPolarHBondContact OD1-CA 3.04Å; S572-G575 PolarHBondContact O-N 3.4Å |
| 576 | K | 65.9 | Low | 71.7 | Confident | 141 Ų | 141 | 52.5 Ų | 52.5 | 61% | 0.613 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -72 | 149.1 | -171.2 | -57.1 | -174.8 | -156.6 | 89.2 | 0 | 113.1 | D539 G540 | D539-K576 WeakPolarHBondContact OD1-CG 3.18Å; D539-K576 PolarHBondContact OD1-N 3.02Å; D539-K576 IonicContact OD1-NZ 2.59Å; D539-K576 IonicContact OD2-NZ 3.9Å; D539-K576 PolarHBondContact OD2-NZ 3.43Å; G540-K576 PolarHBondContact N-O 3.13Å |
| 577 | Y | 75.4 | Confident | 72.7 | Confident | 32 Ų | 32 | 53.1 Ų | 53.1 | 13% | 0.125 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 152.4 | 167.7 | -165.3 | -94.8 | 0 | 0 | 0 | 111.6 | G273 C566 P571 | G273-Y577 WeakPolarHBondContact O-CE1 3.48Å; C566-Y577 HydrophobicContact CB-CD2 4.12Å; C566-Y577 HydrophobicContact CB-CE1 4.15Å; C566-Y577 HydrophobicContact CB-CE2 3.5Å; C566-Y577 VanDerWaalsContact CB-CE2 3.5Å; P571-Y577 HydrophobicContact CG-CD2 4.06Å |
| 578 | C | 79.8 | Confident | 73.8 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 138 | -174.3 | -57.4 | 0 | 0 | 0 | 0 | 112.8 | S228 G540 G541 W542 C566 | S228-C578 VanDerWaalsContact CB-O 3.23Å; S228-C578 WeakPolarHBondContact CB-O 3.45Å; S228-C578 PolarHBondContact OG-O 3.15Å; G540-C578 PolarHBondContact O-SG 2.8Å; G540-C578 VanDerWaalsContact O-SG 3.35Å; G541-C578 PolarHBondContact O-SG 2.99Å; W542-C578 HydrophobicContact CD2-CB 3.71Å; W542-C578 HydrophobicContact CE3-CB 4.14Å; W542-C578 HydrophobicContact CG-CB 4.2Å; W542-C578 HydrophobicContact CH2-CB 3.91Å; W542-C578 HydrophobicContact CZ2-CB 3.49Å; W542-C578 VanDerWaalsContact CZ2-CB 3.49Å; W542-C578 HydrophobicContact CZ3-CB 4.23Å; C566-C578 VanDerWaalsContact CA-SG 3.52Å; C566-C578 HydrophobicContact CB-CB 3.7Å; C566-C578 WeakPolarHBondContact CB-SG 3.39Å; C566-C578 WeakPolarHBondContact SG-CB 3.31Å; C566-C578 PolarHBondContact SG-N 2.87Å; C566-C578 CovalentContact SG-SG 2.03Å; C566-C578 PolarHBondContact SG-SG 3.15Å |
| 579 | L | 83.1 | Confident | 74.9 | Confident | 92 Ų | 92 | 50.7 Ų | 50.7 | 48% | 0.482 | 29% | 0.285 | S | S | . | . | trans | -105.8 | 147.7 | 172.3 | -58.7 | 179.4 | 0 | 0 | 0 | 110.8 | S228 E230 V275 W542 | S228-L579 CarbonylContact O-C 3.56Å; S228-L579 WeakPolarHBondContact O-CA 3.44Å; E230-L579 HydrophobicContact CG-CD1 4.24Å; E230-L579 HydrophobicContact CG-CD2 4.15Å; V275-L579 HydrophobicContact CB-CD2 4.36Å; V275-L579 HydrophobicContact CG2-CD2 3.87Å; W542-L579 PolarHBondContact NE1-O 3.47Å | ||
| 580 | G | 79 | Confident | 75.9 | Confident | 24 Ų | 24 | 50.5 Ų | 50.5 | 25% | 0.247 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 117.4 | -179.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V227 S228 R582 | V227-G580 CarbonylContact C-O 3.55Å; S228-G580 WeakPolarHBondContact CB-O 3.28Å; S228-G580 PolarHBondContact N-O 3.32Å; S228-G580 PolarHBondContact O-N 3.38Å; G580-R582 PolarHBondContact O-N 3.17Å |
| 581 | E | 78.2 | Confident | 77.2 | Confident | 63 Ų | 63 | 53.8 Ų | 53.8 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 121.8 | -178.2 | -71.4 | 169.1 | -171.8 | 0 | 0 | 111.8 | R224 S226 V227 W545 R564 | R224-E581 WeakPolarHBondContact CD-OE1 3.1Å; R224-E581 IonicContact CZ-OE1 3.51Å; R224-E581 IonicContact NE-OE1 3.41Å; R224-E581 IonicContact NH1-OE1 2.76Å; R224-E581 PolarHBondContact NH1-OE1 3.11Å; S226-E581 CarbonylContact O-C 3.38Å; S226-E581 WeakPolarHBondContact O-CA 3.23Å; V227-E581 HydrophobicContact CG2-CG 3.76Å; W545-E581 HydrophobicContact CH2-CB 4.12Å; W545-E581 WeakPolarHBondContact CH2-O 3.14Å; W545-E581 HydrophobicContact CZ2-CB 4.32Å; R564-E581 VanDerWaalsContact CZ-O 3.26Å; R564-E581 PolarHBondContact NE-O 2.79Å; R564-E581 PolarHBondContact NH2-O 3.45Å |
| 582 | R | 77.1 | Confident | 78 | Confident | 22 Ų | 22 | 57.8 Ų | 57.8 | 8% | 0.083 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -102.9 | -26.1 | 178.1 | 56.4 | 164.6 | 161.7 | -137.6 | -5.4 | 114 | S226 N274 D438 W542 M563 R564 G580 | S226-R582 WeakPolarHBondContact O-CG 3.29Å; S226-R582 PolarHBondContact O-N 3.31Å; N274-R582 PolarHBondContact OD1-NH1 2.95Å; N274-R582 PolarHBondContact OD1-NH2 3.13Å; D438-R582 IonicContact OD1-CZ 2.68Å; D438-R582 IonicContact OD1-NE 2.69Å; D438-R582 PolarHBondContact OD1-NE 3.08Å; D438-R582 IonicContact OD1-NH2 2.97Å; D438-R582 PolarHBondContact OD1-NH2 3.32Å; D438-R582 IonicContact OD2-CZ 2.7Å; D438-R582 IonicContact OD2-NE 3.67Å; D438-R582 PolarHBondContact OD2-NE 3.43Å; D438-R582 IonicContact OD2-NH2 2.75Å; W542-R582 HydrophobicContact CH2-CB 3.7Å; W542-R582 HydrophobicContact CZ3-CB 4.06Å; M563-R582 CarbonylContact C-O 3.41Å; M563-R582 VanDerWaalsContact CA-O 3.3Å; M563-R582 WeakPolarHBondContact CA-O 3.46Å; R564-R582 PolarHBondContact N-O 2.94Å; G580-R582 PolarHBondContact O-N 3.17Å |
| 583 | K | 81.1 | Confident | 79.1 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 20% | 0.204 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 139.1 | 175.7 | -170.3 | -178.1 | 175.4 | -168.6 | 0 | 108.4 | S561 S562 M563 Y585 D652 | S561-K583 VanDerWaalsContact OG-CE 3.26Å; S561-K583 WeakPolarHBondContact OG-CE 3.49Å; S562-K583 CarbonylContact O-C 3.3Å; S562-K583 WeakPolarHBondContact O-CA 3.41Å; M563-K583 HydrophobicContact CB-CG 4.47Å; K583-Y585 HydrophobicContact CD-CE1 4.46Å; K583-Y585 HydrophobicContact CD-CE2 4.21Å; K583-Y585 VanDerWaalsContact CE-CZ 3.49Å; K583-Y585 VanDerWaalsContact CE-OH 3.25Å; K583-Y585 WeakPolarHBondContact CE-OH 3.06Å; K583-Y585 HydrophobicContact CG-CE2 4.22Å; K583-Y585 PolarHBondContact NZ-OH 2.78Å; K583-D652 IonicContact NZ-OD2 2.69Å |
| 584 | R | 85 | Confident | 80.7 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 158.8 | 178.5 | 63.1 | -180 | 179 | 165.1 | 3.2 | 110.1 | W545 W548 S561 S562 | W545-R584 VanDerWaalsContact CB-NH2 3.32Å; W545-R584 HydrophobicContact CD2-CG 4.39Å; W545-R584 HydrophobicContact CE3-CG 3.85Å; W545-R584 HydrophobicContact CH2-CB 4.03Å; W545-R584 HydrophobicContact CH2-CG 3.97Å; W545-R584 HydrophobicContact CZ2-CG 4.48Å; W545-R584 HydrophobicContact CZ3-CB 4.09Å; W545-R584 HydrophobicContact CZ3-CG 3.63Å; W548-R584 HydrophobicContact CH2-CB 4.46Å; W548-R584 HydrophobicContact CH2-CG 3.74Å; W548-R584 HydrophobicContact CZ2-CG 4.36Å; W548-R584 HydrophobicContact CZ3-CG 4.16Å; S561-R584 VanDerWaalsContact CA-O 3.26Å; S561-R584 WeakPolarHBondContact CA-O 3.48Å; S561-R584 WeakPolarHBondContact CB-O 3.36Å; S562-R584 PolarHBondContact N-O 3.4Å; S562-R584 WeakPolarHBondContact O-CG 3.44Å; S562-R584 PolarHBondContact O-N 2.92Å; S562-R584 PolarHBondContact OG-NE 3Å; S562-R584 PolarHBondContact OG-NH2 2.7Å |
| 585 | Y | 88.7 | Confident | 81.9 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 154 | -168.2 | -68.9 | -81.9 | 0 | 0 | 0 | 111.6 | V559 S560 K583 D652 I665 N666 | V559-Y585 HydrophobicContact CG1-CD1 3.58Å; V559-Y585 HydrophobicContact CG1-CE1 4.29Å; V559-Y585 HydrophobicContact CG1-CG 4.45Å; S560-Y585 WeakPolarHBondContact O-CA 3.2Å; K583-Y585 HydrophobicContact CD-CE1 4.46Å; K583-Y585 HydrophobicContact CD-CE2 4.21Å; K583-Y585 VanDerWaalsContact CE-CZ 3.49Å; K583-Y585 VanDerWaalsContact CE-OH 3.25Å; K583-Y585 WeakPolarHBondContact CE-OH 3.06Å; K583-Y585 HydrophobicContact CG-CE2 4.22Å; K583-Y585 PolarHBondContact NZ-OH 2.78Å; Y585-D652 VanDerWaalsContact CE1-OD2 3.29Å; Y585-D652 WeakPolarHBondContact CE1-OD2 3.01Å; Y585-D652 PolarHBondContact OH-OD2 2.84Å; Y585-I665 HydrophobicContact CD1-CG2 3.68Å; Y585-I665 HydrophobicContact CD2-CG2 3.98Å; Y585-I665 HydrophobicContact CE1-CG2 3.38Å; Y585-I665 HydrophobicContact CE2-CG2 3.73Å; Y585-I665 HydrophobicContact CG-CG2 3.93Å; Y585-N666 PolarHBondContact OH-OD1 3.35Å |
| 586 | R | 87.4 | Confident | 82.6 | Confident | 115 Ų | 115 | 66.4 Ų | 66.4 | 43% | 0.434 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 153.2 | 170.7 | 66.9 | 179.9 | -179.7 | 158.1 | 3.4 | 111 | W548 V559 S560 | W548-R586 VanDerWaalsContact CB-NH2 3.33Å; W548-R586 HydrophobicContact CD2-CG 4.21Å; W548-R586 VanDerWaalsContact CD2-NE 3.32Å; W548-R586 HydrophobicContact CE3-CG 3.77Å; W548-R586 VanDerWaalsContact CG-CZ 3.49Å; W548-R586 HydrophobicContact CH2-CB 4Å; W548-R586 HydrophobicContact CH2-CG 3.97Å; W548-R586 HydrophobicContact CZ2-CG 4.4Å; W548-R586 HydrophobicContact CZ3-CB 4.06Å; W548-R586 HydrophobicContact CZ3-CG 3.65Å; V559-R586 WeakPolarHBondContact CA-O 3.33Å; S560-R586 PolarHBondContact N-O 3.41Å; S560-R586 PolarHBondContact O-N 3.47Å |
| 587 | S | 89.8 | Confident | 83.4 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 17% | 0.168 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 154.2 | 165.2 | -70.1 | 0 | 0 | 0 | 0 | 111.6 | G558 N676 I677 L678 | G558-S587 WeakPolarHBondContact O-CA 3.25Å; S587-N676 PolarHBondContact OG-O 2.98Å; S587-N676 VanDerWaalsContact OG-O 3.05Å; S587-I677 WeakPolarHBondContact OG-CA 3.03Å; S587-L678 PolarHBondContact OG-N 3.17Å |
| 588 | C | 91.4 | Very high | 83.7 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 14% | 0.142 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 159.6 | 172 | 46.5 | 0 | 0 | 0 | 0 | 109.3 | C551 G558 S560 I590 | C551-C588 VanDerWaalsContact CA-SG 3.51Å; C551-C588 HydrophobicContact CB-CB 3.86Å; C551-C588 WeakPolarHBondContact CB-SG 3.49Å; C551-C588 VanDerWaalsContact SG-C 3.56Å; C551-C588 WeakPolarHBondContact SG-CB 3.46Å; C551-C588 CovalentContact SG-SG 2.02Å; C551-C588 PolarHBondContact SG-SG 3.15Å; G558-C588 VanDerWaalsContact C-SG 3.6Å; G558-C588 WeakPolarHBondContact CA-O 3.37Å; G558-C588 PolarHBondContact N-O 2.99Å; G558-C588 PolarHBondContact O-N 2.86Å; S560-C588 PolarHBondContact N-SG 3.49Å; S560-C588 VanDerWaalsContact N-SG 3.4Å; C588-I590 PolarHBondContact O-N 2.78Å |
| 589 | N | 90.2 | Very high | 84 | Confident | 69 Ų | 69 | 70.4 Ų | 70.4 | 37% | 0.369 | 42% | 0.418 | S | S | . | . | trans | 49.3 | 56.5 | 178 | -56.1 | -11.2 | 0 | 0 | 0 | 112.3 | C551 R553 C555 G556 G557 D591 | C551-N589 WeakPolarHBondContact CB-ND2 3.3Å; R553-N589 PolarHBondContact O-ND2 2.79Å; C555-N589 CarbonylContact C-O 3.5Å; G556-N589 PolarHBondContact N-O 2.78Å; G557-N589 PolarHBondContact N-O 2.98Å; N589-D591 VanDerWaalsContact C-N 3.35Å | ||
| 590 | I | 86.6 | Confident | 84.4 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 33% | 0.333 | 41% | 0.405 | S | S | . | . | trans | -78.7 | -17.1 | -171.6 | 57.5 | 172.6 | 0 | 0 | 0 | 113.6 | C588 N676 | C588-I590 PolarHBondContact O-N 2.78Å; I590-N676 HydrophobicContact CB-CB 4.19Å; I590-N676 HydrophobicContact CG2-CB 4.3Å; I590-N676 PolarHBondContact O-ND2 3.1Å | ||
| 591 | D | 85.4 | Confident | 85 | Confident | 122 Ų | 122 | 67.9 Ų | 67.9 | 65% | 0.652 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -60.6 | 141.4 | 179.8 | -47.6 | -80.8 | 0 | 0 | 0 | 111.4 | G556 N589 | G556-D591 WeakPolarHBondContact CA-O 3.46Å; G556-D591 PolarHBondContact N-O 2.92Å; N589-D591 VanDerWaalsContact C-N 3.35Å |
| 592 | A | 82.9 | Confident | 85.6 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 74% | 0.744 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -58 | 143.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 593 | C | 84.5 | Confident | 86.3 | Confident | 36 Ų | 36 | 72.4 Ų | 72.4 | 24% | 0.243 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 151.7 | 172.4 | -69.1 | 0 | 0 | 0 | 0 | 111.2 | C555 S597 | C555-C593 HydrophobicContact CB-CB 3.96Å; C555-C593 WeakPolarHBondContact CB-SG 3.46Å; C555-C593 PolarHBondContact O-SG 3Å; C555-C593 VanDerWaalsContact O-SG 3.36Å; C555-C593 WeakPolarHBondContact SG-CA 3.39Å; C555-C593 WeakPolarHBondContact SG-CB 3.4Å; C555-C593 CovalentContact SG-SG 2.05Å; C555-C593 PolarHBondContact SG-SG 3.04Å; C593-S597 VanDerWaalsContact CB-OG 3.31Å; C593-S597 WeakPolarHBondContact CB-OG 3.29Å |
| 594 | P | 88.3 | Confident | 86.9 | Confident | 97 Ų | 97 | 70.8 Ų | 70.8 | 63% | 0.63 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -55 | 144.2 | 176.6 | -26.1 | 35.1 | 0 | 0 | 0 | 112.6 | G596 S597 | P594-G596 PolarHBondContact O-N 2.87Å; P594-S597 VanDerWaalsContact O-CB 3.28Å; P594-S597 WeakPolarHBondContact O-CB 3.11Å; P594-S597 PolarHBondContact O-N 3.16Å; P594-S597 PolarHBondContact O-OG 2.03Å |
| 595 | A | 79.1 | Confident | 87.3 | Confident | 111 Ų | 111 | 66.9 Ų | 66.9 | 92% | 0.917 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 131.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 596 | G | 75.8 | Confident | 87.5 | Confident | 86 Ų | 86 | 65.5 Ų | 65.5 | 89% | 0.887 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 7.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P594 Q598 | P594-G596 PolarHBondContact O-N 2.87Å; G596-Q598 PolarHBondContact O-N 3.15Å |
| 597 | S | 82.3 | Confident | 87.8 | Confident | 66 Ų | 66 | 64.8 Ų | 64.8 | 46% | 0.462 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 127.7 | 171.3 | 65.1 | 0 | 0 | 0 | 0 | 111.8 | C593 P594 | C593-S597 VanDerWaalsContact CB-OG 3.31Å; C593-S597 WeakPolarHBondContact CB-OG 3.29Å; P594-S597 VanDerWaalsContact O-CB 3.28Å; P594-S597 WeakPolarHBondContact O-CB 3.11Å; P594-S597 PolarHBondContact O-N 3.16Å; P594-S597 PolarHBondContact O-OG 2.03Å |
| 598 | Q | 81.4 | Confident | 87.8 | Confident | 121 Ų | 121 | 65.6 Ų | 65.6 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 146.9 | 173.4 | -165.8 | -178.3 | 27.6 | 0 | 0 | 111.5 | G596 E602 | G596-Q598 PolarHBondContact O-N 3.15Å; Q598-E602 HydrophobicContact CG-CB 4.24Å; Q598-E602 HydrophobicContact CG-CG 4.22Å; Q598-E602 WeakPolarHBondContact CG-OE2 3.5Å; Q598-E602 PolarHBondContact NE2-OE1 2.91Å |
| 599 | D | 86.4 | Confident | 87.8 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 41% | 0.406 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 145.4 | 179.5 | 171.8 | 61.8 | 0 | 0 | 0 | 112.6 | R601 E602 K603 | D599-R601 VanDerWaalsContact C-N 3.34Å; D599-R601 PolarHBondContact O-N 2.94Å; D599-R601 WeakPolarHBondContact OD2-CA 3.41Å; D599-R601 WeakPolarHBondContact OD2-CB 3.37Å; D599-R601 PolarHBondContact OD2-N 2.82Å; D599-E602 HydrophobicContact CB-CB 4.02Å; D599-E602 WeakPolarHBondContact O-CB 3.38Å; D599-E602 PolarHBondContact O-N 3.38Å; D599-E602 PolarHBondContact OD2-N 2.89Å; D599-K603 PolarHBondContact O-N 3.37Å |
| 600 | F | 90.8 | Very high | 87.8 | Confident | 50 Ų | 50 | 70 Ų | 70 | 22% | 0.219 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -71.8 | -25.4 | -175.2 | -170.7 | -117 | 0 | 0 | 0 | 113.2 | S552 R553 Q604 V651 T654 | S552-F600 WeakPolarHBondContact O-CZ 3.14Å; R553-F600 HydrophobicContact CG-CD1 3.91Å; R553-F600 HydrophobicContact CG-CD2 4.15Å; R553-F600 HydrophobicContact CG-CE1 3.64Å; R553-F600 HydrophobicContact CG-CE2 3.91Å; R553-F600 HydrophobicContact CG-CG 4.15Å; R553-F600 HydrophobicContact CG-CZ 3.65Å; F600-Q604 WeakPolarHBondContact O-CG 3.28Å; F600-Q604 PolarHBondContact O-NE2 2.88Å; F600-V651 HydrophobicContact CE1-CB 3.97Å; F600-V651 HydrophobicContact CE1-CG1 3.96Å; F600-V651 HydrophobicContact CZ-CB 4.26Å; F600-V651 HydrophobicContact CZ-CG1 3.97Å; F600-T654 HydrophobicContact CD1-CG2 4.32Å; F600-T654 WeakPolarHBondContact CD1-OG1 3.3Å; F600-T654 WeakPolarHBondContact CE1-OG1 3.32Å |
| 601 | R | 91.7 | Very high | 87.6 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 5% | 0.049 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -80.9 | -34.3 | 171.1 | -173.5 | 174.7 | -72.8 | 173.7 | -12 | 111.5 | D599 K603 Q604 C605 P622 P630 L633 T654 R655 C656 | D599-R601 VanDerWaalsContact C-N 3.34Å; D599-R601 PolarHBondContact O-N 2.94Å; D599-R601 WeakPolarHBondContact OD2-CA 3.41Å; D599-R601 WeakPolarHBondContact OD2-CB 3.37Å; D599-R601 PolarHBondContact OD2-N 2.82Å; R601-K603 VanDerWaalsContact C-N 3.35Å; R601-Q604 PolarHBondContact O-N 2.79Å; R601-C605 PolarHBondContact O-N 2.92Å; R601-C605 VanDerWaalsContact O-N 3.1Å; R601-P622 HydrophobicContact CB-CG 4.3Å; R601-P622 HydrophobicContact CG-CB 4.01Å; R601-P622 HydrophobicContact CG-CG 4.05Å; R601-P630 PolarHBondContact NH1-O 3.38Å; R601-P630 PolarHBondContact NH2-O 2.88Å; R601-L633 HydrophobicContact CG-CD1 3.96Å; R601-T654 HydrophobicContact CB-CG2 3.74Å; R601-T654 HydrophobicContact CG-CG2 4.37Å; R601-R655 PolarHBondContact NH2-O 3.16Å; R601-C656 PolarHBondContact NH1-O 3.29Å |
| 602 | E | 91.3 | Very high | 87.5 | Confident | 61 Ų | 61 | 69.2 Ų | 69.2 | 29% | 0.285 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.7 | -48.6 | 172.9 | -166.5 | -170.8 | 155.8 | 0 | 0 | 111.1 | Q598 D599 Q604 C605 G606 P622 | Q598-E602 HydrophobicContact CG-CB 4.24Å; Q598-E602 HydrophobicContact CG-CG 4.22Å; Q598-E602 WeakPolarHBondContact CG-OE2 3.5Å; Q598-E602 PolarHBondContact NE2-OE1 2.91Å; D599-E602 HydrophobicContact CB-CB 4.02Å; D599-E602 WeakPolarHBondContact O-CB 3.38Å; D599-E602 PolarHBondContact O-N 3.38Å; D599-E602 PolarHBondContact OD2-N 2.89Å; E602-Q604 VanDerWaalsContact C-N 3.32Å; E602-Q604 PolarHBondContact O-N 3.33Å; E602-C605 WeakPolarHBondContact O-CB 3.43Å; E602-C605 PolarHBondContact O-N 3.02Å; E602-G606 PolarHBondContact O-N 2.81Å; E602-P622 HydrophobicContact CB-CG 3.91Å; E602-P622 HydrophobicContact CG-CG 4.39Å |
| 603 | K | 91.8 | Very high | 87.4 | Confident | 119 Ų | 119 | 66.7 Ų | 66.7 | 52% | 0.517 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -54.7 | -44.5 | 173.6 | -173 | 177.1 | 179.1 | -179.1 | 0 | 113 | D599 R601 C605 G606 D607 | D599-K603 PolarHBondContact O-N 3.37Å; R601-K603 VanDerWaalsContact C-N 3.35Å; K603-C605 VanDerWaalsContact C-N 3.27Å; K603-C605 PolarHBondContact O-N 3.33Å; K603-G606 PolarHBondContact O-N 2.93Å; K603-G606 VanDerWaalsContact O-N 3.11Å; K603-D607 PolarHBondContact O-N 3.12Å |
| 604 | Q | 93.9 | Very high | 87.2 | Confident | 13 Ų | 13 | 75.7 Ų | 75.7 | 6% | 0.061 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.1 | -27.4 | 177.7 | -74.7 | 167.2 | 74.3 | 0 | 0 | 113.6 | F600 R601 E602 F608 L633 V651 T654 | F600-Q604 WeakPolarHBondContact O-CG 3.28Å; F600-Q604 PolarHBondContact O-NE2 2.88Å; R601-Q604 PolarHBondContact O-N 2.79Å; E602-Q604 VanDerWaalsContact C-N 3.32Å; E602-Q604 PolarHBondContact O-N 3.33Å; Q604-F608 WeakPolarHBondContact O-CD2 3.34Å; Q604-F608 WeakPolarHBondContact O-CE2 3.36Å; Q604-L633 HydrophobicContact CB-CD1 3.79Å; Q604-L633 HydrophobicContact CB-CD2 4Å; Q604-V651 HydrophobicContact CG-CG2 4.28Å; Q604-T654 PolarHBondContact NE2-OG1 3.37Å |
| 605 | C | 93.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -74.9 | -43.9 | 169.7 | -77.3 | 0 | 0 | 0 | 0 | 111.1 | R601 E602 K603 D607 F608 W620 C635 | R601-C605 PolarHBondContact O-N 2.92Å; R601-C605 VanDerWaalsContact O-N 3.1Å; E602-C605 WeakPolarHBondContact O-CB 3.43Å; E602-C605 PolarHBondContact O-N 3.02Å; K603-C605 VanDerWaalsContact C-N 3.27Å; K603-C605 PolarHBondContact O-N 3.33Å; C605-D607 VanDerWaalsContact C-N 3.26Å; C605-D607 PolarHBondContact O-N 3.29Å; C605-F608 WeakPolarHBondContact O-CB 3.35Å; C605-F608 PolarHBondContact O-N 3.15Å; C605-W620 HydrophobicContact CB-CB 3.88Å; C605-W620 WeakPolarHBondContact CB-O 3.5Å; C605-W620 WeakPolarHBondContact O-CB 3.47Å; C605-C635 VanDerWaalsContact CA-SG 3.5Å; C605-C635 HydrophobicContact CB-CB 3.94Å; C605-C635 WeakPolarHBondContact CB-SG 3.23Å; C605-C635 WeakPolarHBondContact SG-CB 3.43Å; C605-C635 CovalentContact SG-SG 2.05Å; C605-C635 PolarHBondContact SG-SG 3.42Å |
| 606 | G | 93.4 | Very high | 87.2 | Confident | 20 Ų | 20 | 75 Ų | 75 | 21% | 0.206 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.5 | -26.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | E602 K603 F608 D609 | E602-G606 PolarHBondContact O-N 2.81Å; K603-G606 PolarHBondContact O-N 2.93Å; K603-G606 VanDerWaalsContact O-N 3.11Å; G606-F608 PolarHBondContact O-N 3.01Å; G606-D609 VanDerWaalsContact CA-OD2 3.25Å; G606-D609 WeakPolarHBondContact CA-OD2 3.42Å; G606-D609 WeakPolarHBondContact O-CB 3.41Å; G606-D609 VanDerWaalsContact O-CG 3.28Å; G606-D609 PolarHBondContact O-N 2.99Å |
| 607 | D | 92.6 | Very high | 87.9 | Confident | 100 Ų | 100 | 78.4 Ų | 78.4 | 54% | 0.535 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -17.1 | 169.6 | -70 | -36.4 | 0 | 0 | 0 | 113.1 | K603 C605 | K603-D607 PolarHBondContact O-N 3.12Å; C605-D607 VanDerWaalsContact C-N 3.26Å; C605-D607 PolarHBondContact O-N 3.29Å |
| 608 | F | 90.9 | Very high | 88.4 | Confident | 41 Ų | 41 | 77 Ų | 77 | 18% | 0.18 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -2.3 | 176 | -62.8 | -72.2 | 0 | 0 | 0 | 115.8 | Q604 C605 G606 N610 M611 W620 L633 R646 | Q604-F608 WeakPolarHBondContact O-CD2 3.34Å; Q604-F608 WeakPolarHBondContact O-CE2 3.36Å; C605-F608 WeakPolarHBondContact O-CB 3.35Å; C605-F608 PolarHBondContact O-N 3.15Å; G606-F608 PolarHBondContact O-N 3.01Å; F608-N610 PolarHBondContact O-N 3.24Å; F608-M611 HydrophobicContact CD1-CE 4.41Å; F608-M611 HydrophobicContact CD1-CG 4.43Å; F608-M611 HydrophobicContact CD1-SD 3.71Å; F608-M611 HydrophobicContact CE1-SD 4.13Å; F608-M611 PolarHBondContact O-N 3.32Å; F608-W620 PolarHBondContact O-NE1 3.37Å; F608-L633 HydrophobicContact CE2-CD2 3.73Å; F608-R646 HydrophobicContact CD2-CB 3.9Å; F608-R646 HydrophobicContact CD2-CG 4.09Å; F608-R646 HydrophobicContact CE2-CB 3.64Å; F608-R646 HydrophobicContact CE2-CG 4.35Å; F608-R646 HydrophobicContact CZ-CB 4.05Å |
| 609 | D | 91.6 | Very high | 88.9 | Confident | 39 Ų | 39 | 75 Ų | 75 | 21% | 0.209 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -39 | -177.7 | -63.1 | -27.8 | 0 | 0 | 0 | 111.5 | G606 M611 Y618 N619 W620 | G606-D609 VanDerWaalsContact CA-OD2 3.25Å; G606-D609 WeakPolarHBondContact CA-OD2 3.42Å; G606-D609 WeakPolarHBondContact O-CB 3.41Å; G606-D609 VanDerWaalsContact O-CG 3.28Å; G606-D609 PolarHBondContact O-N 2.99Å; D609-M611 VanDerWaalsContact C-N 3.25Å; D609-M611 PolarHBondContact O-N 2.65Å; D609-Y618 WeakPolarHBondContact CA-O 3.35Å; D609-N619 WeakPolarHBondContact OD1-CA 3.48Å; D609-N619 PolarHBondContact OD2-OD1 2.89Å; D609-W620 VanDerWaalsContact OD1-CD1 3.28Å; D609-W620 PolarHBondContact OD1-N 2.92Å |
| 610 | N | 88.9 | Confident | 89.2 | Confident | 144 Ų | 144 | 71.6 Ų | 71.6 | 77% | 0.77 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 6.9 | 177.7 | -64.6 | -72.4 | 0 | 0 | 0 | 113.6 | F608 | F608-N610 PolarHBondContact O-N 3.24Š|
| 611 | M | 83.8 | Confident | 89.3 | Confident | 97 Ų | 97 | 73.1 Ų | 73.1 | 48% | 0.478 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -108.8 | 121.8 | 177.3 | -63.2 | -160.7 | -171 | 0 | 0 | 111.5 | F608 D609 F613 | F608-M611 HydrophobicContact CD1-CE 4.41Å; F608-M611 HydrophobicContact CD1-CG 4.43Å; F608-M611 HydrophobicContact CD1-SD 3.71Å; F608-M611 HydrophobicContact CE1-SD 4.13Å; F608-M611 PolarHBondContact O-N 3.32Å; D609-M611 VanDerWaalsContact C-N 3.25Å; D609-M611 PolarHBondContact O-N 2.65Å; M611-F613 PolarHBondContact O-N 3.2Å; M611-F613 VanDerWaalsContact O-N 3.15Å |
| 612 | P | 83.5 | Confident | 89.2 | Confident | 73 Ų | 73 | 74.5 Ų | 74.5 | 47% | 0.474 | 37% | 0.371 | S | S | . | . | trans | -73.2 | 111.2 | -174 | 28.4 | -33.2 | 0 | 0 | 0 | 112 | K616 Y617 | P612-K616 CarbonylContact C-O 3.5Å; P612-K616 WeakPolarHBondContact CA-O 3.42Å; P612-Y617 HydrophobicContact CB-CD1 4.34Å; P612-Y617 HydrophobicContact CB-CE1 3.87Å; P612-Y617 HydrophobicContact CB-CE2 4.45Å; P612-Y617 HydrophobicContact CG-CE1 4.17Å | ||
| 613 | F | 79.6 | Confident | 89.1 | Confident | 38 Ų | 38 | 74.6 Ų | 74.6 | 17% | 0.167 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -86.4 | 119.6 | 170.7 | -176.5 | -113.4 | 0 | 0 | 0 | 109.9 | M611 G615 K616 Y618 W620 F642 T644 | M611-F613 PolarHBondContact O-N 3.2Å; M611-F613 VanDerWaalsContact O-N 3.15Å; F613-G615 PolarHBondContact O-N 3.22Å; F613-G615 VanDerWaalsContact O-N 3.13Å; F613-K616 PolarHBondContact N-O 3.18Å; F613-K616 PolarHBondContact O-N 2.96Å; F613-K616 VanDerWaalsContact O-O 3.09Å; F613-Y618 HydrophobicContact CB-CD2 4.17Å; F613-Y618 HydrophobicContact CB-CE2 4.22Å; F613-Y618 HydrophobicContact CD1-CE2 4.19Å; F613-W620 HydrophobicContact CB-CH2 4.39Å; F613-W620 HydrophobicContact CB-CZ2 3.84Å; F613-W620 HydrophobicContact CD1-CH2 4.03Å; F613-W620 HydrophobicContact CD1-CZ2 4.33Å; F613-W620 HydrophobicContact CG-CH2 4.22Å; F613-W620 HydrophobicContact CG-CZ2 4.15Å; F613-F642 HydrophobicContact CD1-CE2 4.19Å; F613-F642 AromaticContact CE1-CE2 3.83Å; F613-F642 HydrophobicContact CE1-CE2 3.83Å; F613-F642 HydrophobicContact CE1-CZ 4.48Å; F613-T644 HydrophobicContact CE2-CG2 4.46Å; F613-T644 HydrophobicContact CZ-CG2 4.33Å |
| 614 | R | 81.5 | Confident | 88.6 | Confident | 224 Ų | 224 | 72.9 Ų | 72.9 | 85% | 0.845 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 35 | -177.2 | -58.9 | 179.9 | 174.4 | 178.3 | -1.4 | 113.4 | ||
| 615 | G | 81.5 | Confident | 87.8 | Confident | 67 Ų | 67 | 73.5 Ų | 73.5 | 69% | 0.691 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 11.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F613 | F613-G615 PolarHBondContact O-N 3.22Å; F613-G615 VanDerWaalsContact O-N 3.13Å |
| 616 | K | 85.4 | Confident | 86.5 | Confident | 127 Ų | 127 | 77.3 Ų | 77.3 | 55% | 0.552 | 42% | 0.418 | S | S | * | . | B | Isolated β-bridge | trans | -131 | 150.1 | 174.5 | -69.4 | -173.1 | 177.5 | -172.8 | 0 | 111.8 | P612 F613 Y618 | P612-K616 CarbonylContact C-O 3.5Å; P612-K616 WeakPolarHBondContact CA-O 3.42Å; F613-K616 PolarHBondContact N-O 3.18Å; F613-K616 PolarHBondContact O-N 2.96Å; F613-K616 VanDerWaalsContact O-O 3.09Å; K616-Y618 HydrophobicContact CB-CD2 4.41Å; K616-Y618 HydrophobicContact CB-CE2 3.62Å |
| 617 | Y | 90.6 | Very high | 85.3 | Confident | 157 Ų | 157 | 80.2 Ų | 80.2 | 62% | 0.616 | 45% | 0.449 | S | S | * | . | trans | -90.5 | 150 | 170.3 | -55.7 | -84.5 | 0 | 0 | 0 | 109.5 | P612 | P612-Y617 HydrophobicContact CB-CD1 4.34Å; P612-Y617 HydrophobicContact CB-CE1 3.87Å; P612-Y617 HydrophobicContact CB-CE2 4.45Å; P612-Y617 HydrophobicContact CG-CE1 4.17Å | ||
| 618 | Y | 91.5 | Very high | 84.8 | Confident | 37 Ų | 37 | 76.7 Ų | 76.7 | 15% | 0.145 | 43% | 0.431 | C | S | . | . | trans | -145.3 | 148.2 | -178 | -64.2 | -87.3 | 0 | 0 | 0 | 108 | D609 F613 K616 W620 A637 Y640 F642 | D609-Y618 WeakPolarHBondContact CA-O 3.35Å; F613-Y618 HydrophobicContact CB-CD2 4.17Å; F613-Y618 HydrophobicContact CB-CE2 4.22Å; F613-Y618 HydrophobicContact CD1-CE2 4.19Å; K616-Y618 HydrophobicContact CB-CD2 4.41Å; K616-Y618 HydrophobicContact CB-CE2 3.62Å; Y618-W620 HydrophobicContact CD2-CZ2 4.04Å; Y618-W620 HydrophobicContact CG-CZ2 4.31Å; Y618-A637 HydrophobicContact CD1-CB 3.82Å; Y618-A637 HydrophobicContact CG-CB 4.15Å; Y618-Y640 AromaticContact CD1-CD2 3.68Å; Y618-Y640 HydrophobicContact CD1-CD2 3.68Å; Y618-Y640 AromaticContact CD1-CE2 3.58Å; Y618-Y640 HydrophobicContact CD1-CE2 3.58Å; Y618-Y640 AromaticContact CE1-CD2 3.77Å; Y618-Y640 HydrophobicContact CE1-CD2 3.77Å; Y618-Y640 AromaticContact CE1-CE2 3.58Å; Y618-Y640 HydrophobicContact CE1-CE2 3.58Å; Y618-Y640 HydrophobicContact CE1-CG 4.35Å; Y618-F642 HydrophobicContact CD1-CZ 4.22Å; Y618-F642 HydrophobicContact CE1-CE1 4.03Å; Y618-F642 AromaticContact CE1-CZ 3.82Å; Y618-F642 HydrophobicContact CE1-CZ 3.82Å; Y618-F642 HydrophobicContact CE2-CZ 4.38Å; Y618-F642 AromaticContact CZ-CZ 3.91Å | ||
| 619 | N | 93.3 | Very high | 84.3 | Confident | 80 Ų | 80 | 81 Ų | 81 | 43% | 0.428 | 45% | 0.449 | S | S | . | . | trans | -84.5 | 127.1 | 167 | -160.9 | 53 | 0 | 0 | 0 | 108.1 | D609 E638 | D609-N619 WeakPolarHBondContact OD1-CA 3.48Å; D609-N619 PolarHBondContact OD2-OD1 2.89Å; N619-E638 HydrophobicContact CB-CB 4.22Å; N619-E638 PolarHBondContact ND2-OE2 3.06Å; N619-E638 WeakPolarHBondContact O-CB 3.4Å; N619-E638 PolarHBondContact O-N 3.11Å | ||
| 620 | W | 93.3 | Very high | 84.1 | Confident | 4 Ų | 4 | 82.1 Ų | 82.1 | 2% | 0.015 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.2 | -170.1 | -65.9 | 104.1 | 0 | 0 | 0 | 112.4 | C605 F608 D609 F613 Y618 C635 L636 A637 F642 T644 | C605-W620 HydrophobicContact CB-CB 3.88Å; C605-W620 WeakPolarHBondContact CB-O 3.5Å; C605-W620 WeakPolarHBondContact O-CB 3.47Å; F608-W620 PolarHBondContact O-NE1 3.37Å; D609-W620 VanDerWaalsContact OD1-CD1 3.28Å; D609-W620 PolarHBondContact OD1-N 2.92Å; F613-W620 HydrophobicContact CB-CH2 4.39Å; F613-W620 HydrophobicContact CB-CZ2 3.84Å; F613-W620 HydrophobicContact CD1-CH2 4.03Å; F613-W620 HydrophobicContact CD1-CZ2 4.33Å; F613-W620 HydrophobicContact CG-CH2 4.22Å; F613-W620 HydrophobicContact CG-CZ2 4.15Å; Y618-W620 HydrophobicContact CD2-CZ2 4.04Å; Y618-W620 HydrophobicContact CG-CZ2 4.31Å; W620-C635 HydrophobicContact CB-CB 4.05Å; W620-C635 HydrophobicContact CD2-CB 4.27Å; W620-C635 HydrophobicContact CE3-CB 3.75Å; W620-C635 HydrophobicContact CG-CB 4.44Å; W620-L636 WeakPolarHBondContact CA-O 3.38Å; W620-A637 HydrophobicContact CE3-CB 4.2Å; W620-A637 HydrophobicContact CH2-CB 4.35Å; W620-A637 HydrophobicContact CZ3-CB 3.86Å; W620-F642 HydrophobicContact CH2-CE2 4.1Å; W620-F642 HydrophobicContact CZ3-CE2 4.31Å; W620-T644 HydrophobicContact CH2-CG2 3.76Å; W620-T644 HydrophobicContact CZ3-CG2 3.76Å |
| 621 | K | 91.1 | Very high | 84.2 | Confident | 82 Ų | 82 | 75.5 Ų | 75.5 | 36% | 0.357 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 149.8 | 175 | -71.3 | -175.2 | 170.8 | 176.7 | 0 | 111.8 | C635 L636 E638 | K621-C635 CarbonylContact O-C 3.57Å; K621-C635 VanDerWaalsContact O-CA 3.29Å; K621-C635 WeakPolarHBondContact O-CA 3.28Å; K621-L636 PolarHBondContact N-O 2.87Å; K621-L636 PolarHBondContact O-N 2.82Å; K621-E638 WeakPolarHBondContact CE-OE1 3.19Å; K621-E638 VanDerWaalsContact CE-OE2 3.29Å; K621-E638 WeakPolarHBondContact CE-OE2 3.46Å; K621-E638 IonicContact NZ-OE1 2.77Å; K621-E638 PolarHBondContact NZ-OE1 2.97Å; K621-E638 IonicContact NZ-OE2 3.17Å; K621-E638 PolarHBondContact NZ-OE2 3.38Å |
| 622 | P | 91.2 | Very high | 84.3 | Confident | 41 Ų | 41 | 71.1 Ų | 71.1 | 27% | 0.266 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 139.7 | 179.4 | -28.1 | 37.2 | 0 | 0 | 0 | 113.2 | R601 E602 | R601-P622 HydrophobicContact CB-CG 4.3Å; R601-P622 HydrophobicContact CG-CB 4.01Å; R601-P622 HydrophobicContact CG-CG 4.05Å; E602-P622 HydrophobicContact CB-CG 3.91Å; E602-P622 HydrophobicContact CG-CG 4.39Å |
| 623 | Y | 89 | Confident | 84.7 | Confident | 64 Ų | 64 | 67.9 Ų | 67.9 | 25% | 0.251 | 38% | 0.381 | S | S | . | . | trans | -119.1 | 114.4 | 171.9 | -173 | -97.7 | 0 | 0 | 0 | 110.7 | V628 N634 L636 Y643 | Y623-V628 HydrophobicContact CD1-CG1 3.92Å; Y623-V628 HydrophobicContact CD1-CG2 3.9Å; Y623-V628 HydrophobicContact CE1-CG1 3.96Å; Y623-V628 HydrophobicContact CE1-CG2 4.13Å; Y623-N634 PolarHBondContact N-O 2.87Å; Y623-L636 HydrophobicContact CD2-CB 4.42Å; Y623-Y643 AromaticContact CD1-CD1 3.78Å; Y623-Y643 HydrophobicContact CD1-CD1 3.78Å; Y623-Y643 AromaticContact CD1-CD2 3.85Å; Y623-Y643 HydrophobicContact CD1-CD2 3.85Å; Y623-Y643 HydrophobicContact CD1-CE1 4.03Å; Y623-Y643 HydrophobicContact CD1-CE2 4.11Å; Y623-Y643 AromaticContact CD1-CG 3.68Å; Y623-Y643 HydrophobicContact CD1-CG 3.68Å; Y623-Y643 HydrophobicContact CD2-CD1 4.24Å; Y623-Y643 HydrophobicContact CD2-CG 4.44Å; Y623-Y643 AromaticContact CE1-CD1 3.58Å; Y623-Y643 HydrophobicContact CE1-CD1 3.58Å; Y623-Y643 HydrophobicContact CE1-CD2 4.2Å; Y623-Y643 AromaticContact CE1-CE1 3.43Å; Y623-Y643 HydrophobicContact CE1-CE1 3.43Å; Y623-Y643 VanDerWaalsContact CE1-CE1 3.43Å; Y623-Y643 HydrophobicContact CE1-CE2 4.09Å; Y623-Y643 AromaticContact CE1-CG 3.97Å; Y623-Y643 HydrophobicContact CE1-CG 3.97Å; Y623-Y643 AromaticContact CE1-CZ 3.7Å; Y623-Y643 HydrophobicContact CE2-CD1 4.06Å; Y623-Y643 HydrophobicContact CE2-CE1 4.44Å; Y623-Y643 HydrophobicContact CG-CD1 4.1Å; Y623-Y643 HydrophobicContact CG-CD2 4.44Å; Y623-Y643 AromaticContact CG-CG 3.93Å; Y623-Y643 HydrophobicContact CG-CG 3.93Å; Y623-Y643 AromaticContact CZ-CD1 3.72Å; Y623-Y643 AromaticContact CZ-CE1 3.66Å | ||
| 624 | T | 81.2 | Confident | 85.2 | Confident | 82 Ų | 82 | 66.5 Ų | 66.5 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | trans | -119.6 | 21.7 | 179.5 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 625 | G | 75.8 | Confident | 85.7 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | trans | -70.8 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G627 V628 | G625-G627 PolarHBondContact O-N 3.32Å; G625-V628 WeakPolarHBondContact O-CG2 3.36Å | ||
| 626 | G | 66.8 | Low | 86.3 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 81% | 0.814 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 118.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 627 | G | 69 | Low | 86.6 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 85% | 0.845 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.3 | -15.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | G625 | G625-G627 PolarHBondContact O-N 3.32Š|
| 628 | V | 80.8 | Confident | 86.6 | Confident | 26 Ų | 26 | 46.1 Ų | 46.1 | 16% | 0.158 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -90.5 | 153.9 | 175.9 | -64.3 | 0 | 0 | 0 | 0 | 112.7 | Y623 G625 P630 N634 Y643 | Y623-V628 HydrophobicContact CD1-CG1 3.92Å; Y623-V628 HydrophobicContact CD1-CG2 3.9Å; Y623-V628 HydrophobicContact CE1-CG1 3.96Å; Y623-V628 HydrophobicContact CE1-CG2 4.13Å; G625-V628 WeakPolarHBondContact O-CG2 3.36Å; V628-P630 WeakPolarHBondContact O-CD 3.42Å; V628-N634 HydrophobicContact CB-CB 4.38Å; V628-N634 HydrophobicContact CG1-CB 4.23Å; V628-N634 HydrophobicContact CG2-CB 4.48Å; V628-Y643 HydrophobicContact CG1-CD2 4.2Å; V628-Y643 HydrophobicContact CG1-CE2 3.44Å; V628-Y643 VanDerWaalsContact CG1-CE2 3.44Å |
| 629 | K | 81 | Confident | 86.4 | Confident | 132 Ų | 132 | 48 Ų | 48 | 57% | 0.574 | 31% | 0.312 | S | S | * | . | trans | -72.9 | 123.5 | 176.9 | -68.4 | 172.3 | -177.3 | 167.1 | 0 | 109.7 | C631 A632 | K629-C631 PolarHBondContact O-N 3.36Å; K629-A632 HydrophobicContact CB-CB 3.96Å; K629-A632 PolarHBondContact O-N 3.15Å | ||
| 630 | P | 86.8 | Confident | 86.1 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -14.8 | -174.3 | -28 | 35.7 | 0 | 0 | 0 | 116.5 | R601 V628 C656 | R601-P630 PolarHBondContact NH1-O 3.38Å; R601-P630 PolarHBondContact NH2-O 2.88Å; V628-P630 WeakPolarHBondContact O-CD 3.42Å; P630-C656 HydrophobicContact CB-CB 4.47Å; P630-C656 VanDerWaalsContact O-O 3.12Å |
| 631 | C | 90.7 | Very high | 85.7 | Confident | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 10.7 | 178.5 | -67.6 | 0 | 0 | 0 | 0 | 114.3 | K629 A649 V650 C664 G667 | K629-C631 PolarHBondContact O-N 3.36Å; C631-A649 CarbonylContact O-C 3.57Å; C631-A649 VanDerWaalsContact O-CA 3.31Å; C631-A649 WeakPolarHBondContact O-CA 3.33Å; C631-V650 HydrophobicContact CB-CG2 4.46Å; C631-V650 PolarHBondContact O-N 3.19Å; C631-C664 WeakPolarHBondContact CA-SG 3.23Å; C631-C664 HydrophobicContact CB-CB 3.68Å; C631-C664 WeakPolarHBondContact CB-SG 3.35Å; C631-C664 VanDerWaalsContact SG-CA 3.51Å; C631-C664 WeakPolarHBondContact SG-CB 3.45Å; C631-C664 CovalentContact SG-SG 2.04Å; C631-C664 PolarHBondContact SG-SG 2.78Å; C631-G667 WeakPolarHBondContact CB-O 3.39Å |
| 632 | A | 87.4 | Confident | 85.5 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -96.6 | 140.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | K629 N634 E645 P648 | K629-A632 HydrophobicContact CB-CB 3.96Å; K629-A632 PolarHBondContact O-N 3.15Å; A632-N634 PolarHBondContact O-N 3.13Å; A632-N634 PolarHBondContact O-ND2 3.46Å; A632-E645 HydrophobicContact CB-CG 4.49Å; A632-E645 WeakPolarHBondContact CB-OE2 3.24Å; A632-P648 WeakPolarHBondContact CB-O 3.48Å |
| 633 | L | 90.6 | Very high | 85.4 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 91.9 | -177.1 | -174.1 | 65.1 | 0 | 0 | 0 | 109.8 | R601 Q604 F608 R646 S647 V650 | R601-L633 HydrophobicContact CG-CD1 3.96Å; Q604-L633 HydrophobicContact CB-CD1 3.79Å; Q604-L633 HydrophobicContact CB-CD2 4Å; F608-L633 HydrophobicContact CE2-CD2 3.73Å; L633-R646 HydrophobicContact CD2-CB 4.2Å; L633-R646 HydrophobicContact CG-CB 4.34Å; L633-R646 PolarHBondContact O-N 2.91Å; L633-S647 PolarHBondContact N-O 3.01Å; L633-S647 PolarHBondContact O-N 3.28Å; L633-V650 HydrophobicContact CB-CG1 3.92Å; L633-V650 HydrophobicContact CD1-CG1 4.06Å |
| 634 | N | 90.9 | Very high | 85.2 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.043 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.5 | 174 | -74.7 | -94.7 | 0 | 0 | 0 | 109.1 | Y623 V628 A632 T644 | Y623-N634 PolarHBondContact N-O 2.87Å; V628-N634 HydrophobicContact CB-CB 4.38Å; V628-N634 HydrophobicContact CG1-CB 4.23Å; V628-N634 HydrophobicContact CG2-CB 4.48Å; A632-N634 PolarHBondContact O-N 3.13Å; A632-N634 PolarHBondContact O-ND2 3.46Å; N634-T644 WeakPolarHBondContact CA-O 3.44Å |
| 635 | C | 92.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.3 | -178 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | C605 W620 K621 Y643 T644 R646 | C605-C635 VanDerWaalsContact CA-SG 3.5Å; C605-C635 HydrophobicContact CB-CB 3.94Å; C605-C635 WeakPolarHBondContact CB-SG 3.23Å; C605-C635 WeakPolarHBondContact SG-CB 3.43Å; C605-C635 CovalentContact SG-SG 2.05Å; C605-C635 PolarHBondContact SG-SG 3.42Å; W620-C635 HydrophobicContact CB-CB 4.05Å; W620-C635 HydrophobicContact CD2-CB 4.27Å; W620-C635 HydrophobicContact CE3-CB 3.75Å; W620-C635 HydrophobicContact CG-CB 4.44Å; K621-C635 CarbonylContact O-C 3.57Å; K621-C635 VanDerWaalsContact O-CA 3.29Å; K621-C635 WeakPolarHBondContact O-CA 3.28Å; C635-Y643 CarbonylContact O-C 3.56Å; C635-Y643 WeakPolarHBondContact O-CA 3.3Å; C635-Y643 WeakPolarHBondContact O-CB 3.4Å; C635-T644 PolarHBondContact N-O 2.96Å; C635-T644 PolarHBondContact O-N 3.35Å; C635-R646 HydrophobicContact CB-CG 3.87Å; C635-R646 VanDerWaalsContact SG-CG 3.6Å |
| 636 | L | 92.6 | Very high | 85.9 | Confident | 58 Ų | 58 | 60.3 Ų | 60.3 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 134.7 | 171.2 | -179.5 | 71.3 | 0 | 0 | 0 | 109.1 | W620 K621 Y623 | W620-L636 WeakPolarHBondContact CA-O 3.38Å; K621-L636 PolarHBondContact N-O 2.87Å; K621-L636 PolarHBondContact O-N 2.82Å; Y623-L636 HydrophobicContact CD2-CB 4.42Å |
| 637 | A | 92.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 117.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y618 W620 G639 Y640 F642 | Y618-A637 HydrophobicContact CD1-CB 3.82Å; Y618-A637 HydrophobicContact CG-CB 4.15Å; W620-A637 HydrophobicContact CE3-CB 4.2Å; W620-A637 HydrophobicContact CH2-CB 4.35Å; W620-A637 HydrophobicContact CZ3-CB 3.86Å; A637-G639 PolarHBondContact O-N 3.31Å; A637-Y640 HydrophobicContact CB-CD2 4.15Å; A637-Y640 PolarHBondContact O-N 3.07Å; A637-Y640 VanDerWaalsContact O-O 3.06Å; A637-F642 HydrophobicContact CB-CD1 4.47Å; A637-F642 HydrophobicContact CB-CE1 3.83Å; A637-F642 HydrophobicContact CB-CE2 3.93Å; A637-F642 HydrophobicContact CB-CZ 3.52Å; A637-F642 PolarHBondContact N-O 3.16Å; A637-F642 VanDerWaalsContact N-O 3.11Å |
| 638 | E | 90.8 | Very high | 86.8 | Confident | 89 Ų | 89 | 59.1 Ų | 59.1 | 42% | 0.416 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 135.5 | -176.7 | -177.2 | 160.1 | -138 | 0 | 0 | 112 | N619 K621 Y640 | N619-E638 HydrophobicContact CB-CB 4.22Å; N619-E638 PolarHBondContact ND2-OE2 3.06Å; N619-E638 WeakPolarHBondContact O-CB 3.4Å; N619-E638 PolarHBondContact O-N 3.11Å; K621-E638 WeakPolarHBondContact CE-OE1 3.19Å; K621-E638 VanDerWaalsContact CE-OE2 3.29Å; K621-E638 WeakPolarHBondContact CE-OE2 3.46Å; K621-E638 IonicContact NZ-OE1 2.77Å; K621-E638 PolarHBondContact NZ-OE1 2.97Å; K621-E638 IonicContact NZ-OE2 3.17Å; K621-E638 PolarHBondContact NZ-OE2 3.38Å; E638-Y640 VanDerWaalsContact C-N 3.26Å; E638-Y640 VanDerWaalsContact O-CD2 3.28Å; E638-Y640 WeakPolarHBondContact O-CD2 3.44Å; E638-Y640 PolarHBondContact O-N 3.41Å |
| 639 | G | 86.9 | Confident | 87 | Confident | 77 Ų | 77 | 59.6 Ų | 59.6 | 79% | 0.794 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 2.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A637 | A637-G639 PolarHBondContact O-N 3.31Š|
| 640 | Y | 87.3 | Confident | 87.4 | Confident | 118 Ų | 118 | 53.5 Ų | 53.5 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -130.6 | 146.3 | -179.4 | -60.5 | -82.4 | 0 | 0 | 0 | 113.3 | Y618 A637 E638 F642 | Y618-Y640 AromaticContact CD1-CD2 3.68Å; Y618-Y640 HydrophobicContact CD1-CD2 3.68Å; Y618-Y640 AromaticContact CD1-CE2 3.58Å; Y618-Y640 HydrophobicContact CD1-CE2 3.58Å; Y618-Y640 AromaticContact CE1-CD2 3.77Å; Y618-Y640 HydrophobicContact CE1-CD2 3.77Å; Y618-Y640 AromaticContact CE1-CE2 3.58Å; Y618-Y640 HydrophobicContact CE1-CE2 3.58Å; Y618-Y640 HydrophobicContact CE1-CG 4.35Å; A637-Y640 HydrophobicContact CB-CD2 4.15Å; A637-Y640 PolarHBondContact O-N 3.07Å; A637-Y640 VanDerWaalsContact O-O 3.06Å; E638-Y640 VanDerWaalsContact C-N 3.26Å; E638-Y640 VanDerWaalsContact O-CD2 3.28Å; E638-Y640 WeakPolarHBondContact O-CD2 3.44Å; E638-Y640 PolarHBondContact O-N 3.41Å; Y640-F642 HydrophobicContact CD1-CE1 4.46Å; Y640-F642 HydrophobicContact CG-CD1 4.47Å; Y640-F642 AromaticContact CG-CE1 3.98Å; Y640-F642 HydrophobicContact CG-CE1 3.98Å; Y640-F642 PolarHBondContact O-N 2.75Å |
| 641 | N | 84.6 | Confident | 87.6 | Confident | 177 Ų | 177 | 53.9 Ų | 53.9 | 95% | 0.947 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -86 | 43.8 | -178.9 | -63 | -7.1 | 0 | 0 | 0 | 112.8 | ||
| 642 | F | 87.5 | Confident | 87.6 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 28% | 0.281 | 30% | 0.303 | S | S | . | . | trans | -145.2 | 142.9 | 174.2 | 77.9 | -89.2 | 0 | 0 | 0 | 112.7 | F613 Y618 W620 A637 Y640 | F613-F642 HydrophobicContact CD1-CE2 4.19Å; F613-F642 AromaticContact CE1-CE2 3.83Å; F613-F642 HydrophobicContact CE1-CE2 3.83Å; F613-F642 HydrophobicContact CE1-CZ 4.48Å; Y618-F642 HydrophobicContact CD1-CZ 4.22Å; Y618-F642 HydrophobicContact CE1-CE1 4.03Å; Y618-F642 AromaticContact CE1-CZ 3.82Å; Y618-F642 HydrophobicContact CE1-CZ 3.82Å; Y618-F642 HydrophobicContact CE2-CZ 4.38Å; Y618-F642 AromaticContact CZ-CZ 3.91Å; W620-F642 HydrophobicContact CH2-CE2 4.1Å; W620-F642 HydrophobicContact CZ3-CE2 4.31Å; A637-F642 HydrophobicContact CB-CD1 4.47Å; A637-F642 HydrophobicContact CB-CE1 3.83Å; A637-F642 HydrophobicContact CB-CE2 3.93Å; A637-F642 HydrophobicContact CB-CZ 3.52Å; A637-F642 PolarHBondContact N-O 3.16Å; A637-F642 VanDerWaalsContact N-O 3.11Å; Y640-F642 HydrophobicContact CD1-CE1 4.46Å; Y640-F642 HydrophobicContact CG-CD1 4.47Å; Y640-F642 AromaticContact CG-CE1 3.98Å; Y640-F642 HydrophobicContact CG-CE1 3.98Å; Y640-F642 PolarHBondContact O-N 2.75Å | ||
| 643 | Y | 89.9 | Confident | 87.8 | Confident | 99 Ų | 99 | 54.9 Ų | 54.9 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 166.6 | 168.7 | 67.4 | -92.2 | 0 | 0 | 0 | 110.4 | Y623 V628 C635 | Y623-Y643 AromaticContact CD1-CD1 3.78Å; Y623-Y643 HydrophobicContact CD1-CD1 3.78Å; Y623-Y643 AromaticContact CD1-CD2 3.85Å; Y623-Y643 HydrophobicContact CD1-CD2 3.85Å; Y623-Y643 HydrophobicContact CD1-CE1 4.03Å; Y623-Y643 HydrophobicContact CD1-CE2 4.11Å; Y623-Y643 AromaticContact CD1-CG 3.68Å; Y623-Y643 HydrophobicContact CD1-CG 3.68Å; Y623-Y643 HydrophobicContact CD2-CD1 4.24Å; Y623-Y643 HydrophobicContact CD2-CG 4.44Å; Y623-Y643 AromaticContact CE1-CD1 3.58Å; Y623-Y643 HydrophobicContact CE1-CD1 3.58Å; Y623-Y643 HydrophobicContact CE1-CD2 4.2Å; Y623-Y643 AromaticContact CE1-CE1 3.43Å; Y623-Y643 HydrophobicContact CE1-CE1 3.43Å; Y623-Y643 VanDerWaalsContact CE1-CE1 3.43Å; Y623-Y643 HydrophobicContact CE1-CE2 4.09Å; Y623-Y643 AromaticContact CE1-CG 3.97Å; Y623-Y643 HydrophobicContact CE1-CG 3.97Å; Y623-Y643 AromaticContact CE1-CZ 3.7Å; Y623-Y643 HydrophobicContact CE2-CD1 4.06Å; Y623-Y643 HydrophobicContact CE2-CE1 4.44Å; Y623-Y643 HydrophobicContact CG-CD1 4.1Å; Y623-Y643 HydrophobicContact CG-CD2 4.44Å; Y623-Y643 AromaticContact CG-CG 3.93Å; Y623-Y643 HydrophobicContact CG-CG 3.93Å; Y623-Y643 AromaticContact CZ-CD1 3.72Å; Y623-Y643 AromaticContact CZ-CE1 3.66Å; V628-Y643 HydrophobicContact CG1-CD2 4.2Å; V628-Y643 HydrophobicContact CG1-CE2 3.44Å; V628-Y643 VanDerWaalsContact CG1-CE2 3.44Å; C635-Y643 CarbonylContact O-C 3.56Å; C635-Y643 WeakPolarHBondContact O-CA 3.3Å; C635-Y643 WeakPolarHBondContact O-CB 3.4Å |
| 644 | T | 84.6 | Confident | 87.8 | Confident | 35 Ų | 35 | 54.6 Ų | 54.6 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 150.1 | 170.2 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | F613 W620 N634 C635 R646 | F613-T644 HydrophobicContact CE2-CG2 4.46Å; F613-T644 HydrophobicContact CZ-CG2 4.33Å; W620-T644 HydrophobicContact CH2-CG2 3.76Å; W620-T644 HydrophobicContact CZ3-CG2 3.76Å; N634-T644 WeakPolarHBondContact CA-O 3.44Å; C635-T644 PolarHBondContact N-O 2.96Å; C635-T644 PolarHBondContact O-N 3.35Å; T644-R646 HydrophobicContact CG2-CG 4.39Å |
| 645 | E | 86.1 | Confident | 87.8 | Confident | 87 Ų | 87 | 58.5 Ų | 58.5 | 41% | 0.407 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 134 | 160.8 | -164.4 | 171.1 | 97.4 | 0 | 0 | 108.3 | A632 S647 P648 | A632-E645 HydrophobicContact CB-CG 4.49Å; A632-E645 WeakPolarHBondContact CB-OE2 3.24Å; E645-S647 WeakPolarHBondContact CG-O 3.43Å; E645-P648 WeakPolarHBondContact OE1-CA 3.38Å |
| 646 | R | 85.5 | Confident | 87.6 | Confident | 59 Ų | 59 | 58.7 Ų | 58.7 | 22% | 0.223 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | -29.5 | 175.7 | -60.8 | -59.2 | -63.1 | 162.6 | -4.2 | 111.8 | F608 L633 C635 T644 | F608-R646 HydrophobicContact CD2-CB 3.9Å; F608-R646 HydrophobicContact CD2-CG 4.09Å; F608-R646 HydrophobicContact CE2-CB 3.64Å; F608-R646 HydrophobicContact CE2-CG 4.35Å; F608-R646 HydrophobicContact CZ-CB 4.05Å; L633-R646 HydrophobicContact CD2-CB 4.2Å; L633-R646 HydrophobicContact CG-CB 4.34Å; L633-R646 PolarHBondContact O-N 2.91Å; C635-R646 HydrophobicContact CB-CG 3.87Å; C635-R646 VanDerWaalsContact SG-CG 3.6Å; T644-R646 HydrophobicContact CG2-CG 4.39Å |
| 647 | S | 80.7 | Confident | 87.2 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 140.2 | 170.4 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | L633 E645 A649 | L633-S647 PolarHBondContact N-O 3.01Å; L633-S647 PolarHBondContact O-N 3.28Å; E645-S647 WeakPolarHBondContact CG-O 3.43Å; S647-A649 WeakPolarHBondContact CB-O 3.4Å; S647-A649 PolarHBondContact O-N 3Å; S647-A649 VanDerWaalsContact O-N 3.16Å; S647-A649 PolarHBondContact OG-N 3Å; S647-A649 PolarHBondContact OG-O 2.9Å |
| 648 | P | 74.4 | Confident | 86.4 | Confident | 96 Ų | 96 | 64.6 Ų | 64.6 | 62% | 0.623 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -67.1 | -12 | 176.7 | 29.4 | -37 | 0 | 0 | 0 | 113.6 | A632 E645 | A632-P648 WeakPolarHBondContact CB-O 3.48Å; E645-P648 WeakPolarHBondContact OE1-CA 3.38Å |
| 649 | A | 84.3 | Confident | 85.5 | Confident | 36 Ų | 36 | 65.5 Ų | 65.5 | 30% | 0.298 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -139.4 | 139.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | C631 S647 | C631-A649 CarbonylContact O-C 3.57Å; C631-A649 VanDerWaalsContact O-CA 3.31Å; C631-A649 WeakPolarHBondContact O-CA 3.33Å; S647-A649 WeakPolarHBondContact CB-O 3.4Å; S647-A649 PolarHBondContact O-N 3Å; S647-A649 VanDerWaalsContact O-N 3.16Å; S647-A649 PolarHBondContact OG-N 3Å; S647-A649 PolarHBondContact OG-O 2.9Å |
| 650 | V | 90.3 | Very high | 85.4 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 162.4 | 162.6 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | C631 L633 T654 C664 | C631-V650 HydrophobicContact CB-CG2 4.46Å; C631-V650 PolarHBondContact O-N 3.19Å; L633-V650 HydrophobicContact CB-CG1 3.92Å; L633-V650 HydrophobicContact CD1-CG1 4.06Å; V650-T654 HydrophobicContact CB-CG2 4.24Å; V650-T654 HydrophobicContact CG2-CG2 4.14Å; V650-C664 HydrophobicContact CG2-CB 3.38Å; V650-C664 VanDerWaalsContact CG2-SG 3.6Å |
| 651 | V | 90.8 | Very high | 85.2 | Confident | 68 Ų | 68 | 59.4 Ų | 59.4 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 136.6 | 175.1 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | F600 Q604 G653 T654 | F600-V651 HydrophobicContact CE1-CB 3.97Å; F600-V651 HydrophobicContact CE1-CG1 3.96Å; F600-V651 HydrophobicContact CZ-CB 4.26Å; F600-V651 HydrophobicContact CZ-CG1 3.97Å; Q604-V651 HydrophobicContact CG-CG2 4.28Å; V651-G653 PolarHBondContact O-N 3.2Å; V651-T654 WeakPolarHBondContact O-CB 3.25Å; V651-T654 PolarHBondContact O-N 2.99Å; V651-T654 VanDerWaalsContact O-N 3.09Å; V651-T654 PolarHBondContact O-OG1 2.93Å |
| 652 | D | 90.7 | Very high | 85.5 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 17% | 0.171 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 131.1 | 178.3 | -73.6 | -9.3 | 0 | 0 | 0 | 110.6 | S552 V559 K583 Y585 C664 I665 N666 | S552-D652 WeakPolarHBondContact CB-O 3.3Å; S552-D652 PolarHBondContact OG-O 3.03Å; V559-D652 HydrophobicContact CB-CB 4.32Å; V559-D652 HydrophobicContact CG1-CB 4.39Å; K583-D652 IonicContact NZ-OD2 2.69Å; Y585-D652 VanDerWaalsContact CE1-OD2 3.29Å; Y585-D652 WeakPolarHBondContact CE1-OD2 3.01Å; Y585-D652 PolarHBondContact OH-OD2 2.84Å; D652-C664 CarbonylContact C-O 3.46Å; D652-C664 WeakPolarHBondContact CA-O 3.46Å; D652-I665 WeakPolarHBondContact OD1-CA 3.36Å; D652-N666 PolarHBondContact OD1-N 3.28Å |
| 653 | G | 89.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | 0.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R553 V651 C664 | R553-G653 VanDerWaalsContact CD-O 3.25Å; R553-G653 WeakPolarHBondContact CD-O 3.27Å; R553-G653 PolarHBondContact NH1-O 3.03Å; R553-G653 VanDerWaalsContact NH1-O 3.16Å; V651-G653 PolarHBondContact O-N 3.2Å; G653-C664 PolarHBondContact N-O 3.42Å |
| 654 | T | 92.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -71.9 | 131.6 | 165.9 | -51.4 | 0 | 0 | 0 | 0 | 110 | F600 R601 Q604 V650 V651 I663 C664 | F600-T654 HydrophobicContact CD1-CG2 4.32Å; F600-T654 WeakPolarHBondContact CD1-OG1 3.3Å; F600-T654 WeakPolarHBondContact CE1-OG1 3.32Å; R601-T654 HydrophobicContact CB-CG2 3.74Å; R601-T654 HydrophobicContact CG-CG2 4.37Å; Q604-T654 PolarHBondContact NE2-OG1 3.37Å; V650-T654 HydrophobicContact CB-CG2 4.24Å; V650-T654 HydrophobicContact CG2-CG2 4.14Å; V651-T654 WeakPolarHBondContact O-CB 3.25Å; V651-T654 PolarHBondContact O-N 2.99Å; V651-T654 VanDerWaalsContact O-N 3.09Å; V651-T654 PolarHBondContact O-OG1 2.93Å; T654-I663 WeakPolarHBondContact O-CA 3.4Å; T654-C664 WeakPolarHBondContact O-CB 3.2Å; T654-C664 PolarHBondContact O-N 2.91Å | ||
| 655 | R | 90.2 | Very high | 85.9 | Confident | 90 Ų | 90 | 44 Ų | 44 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -57 | 141.9 | 175 | -74 | -177.4 | 175.1 | -171.5 | 2 | 111.9 | R601 S660 L661 D662 I663 | R601-R655 PolarHBondContact NH2-O 3.16Å; R655-S660 WeakPolarHBondContact CD-O 3.41Å; R655-L661 VanDerWaalsContact NH2-CD2 3.33Å; R655-D662 CarbonylContact C-O 3.58Å; R655-D662 WeakPolarHBondContact CA-O 3.35Å; R655-I663 HydrophobicContact CG-CG2 4.49Å |
| 656 | C | 88.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -68.4 | -44.7 | -179.4 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | R601 P630 D662 C669 | R601-C656 PolarHBondContact NH1-O 3.29Å; P630-C656 HydrophobicContact CB-CB 4.47Å; P630-C656 VanDerWaalsContact O-O 3.12Å; C656-D662 PolarHBondContact N-O 3.15Å; C656-D662 VanDerWaalsContact SG-C 3.51Å; C656-D662 PolarHBondContact SG-O 2.85Å; C656-C669 HydrophobicContact CB-CB 3.98Å; C656-C669 WeakPolarHBondContact CB-SG 3.33Å; C656-C669 WeakPolarHBondContact SG-CA 3.47Å; C656-C669 WeakPolarHBondContact SG-CB 3.21Å; C656-C669 CovalentContact SG-SG 2.03Å; C656-C669 PolarHBondContact SG-SG 3.45Å |
| 657 | Q | 84.3 | Confident | 85 | Confident | 111 Ų | 111 | 39.6 Ų | 39.6 | 52% | 0.519 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -135.5 | 156.2 | 178.7 | -66.9 | 178.9 | -19.6 | 0 | 0 | 107.8 | D659 S660 | Q657-D659 VanDerWaalsContact C-N 3.25Å; Q657-D659 PolarHBondContact O-N 3.38Å; Q657-S660 PolarHBondContact O-N 2.97Å |
| 658 | A | 74.8 | Confident | 85 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 60% | 0.595 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -39.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 659 | D | 72.5 | Confident | 85.7 | Confident | 107 Ų | 107 | 38.9 Ų | 38.9 | 57% | 0.572 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 9.3 | -172.3 | -55.6 | -49.9 | 0 | 0 | 0 | 114 | Q657 K760 | Q657-D659 VanDerWaalsContact C-N 3.25Å; Q657-D659 PolarHBondContact O-N 3.38Å; D659-K760 IonicContact OD1-NZ 3.54Å; D659-K760 PolarHBondContact OD1-NZ 3.28Å; D659-K760 IonicContact OD2-NZ 4Å; D659-K760 PolarHBondContact OD2-NZ 3.35Å |
| 660 | S | 83.6 | Confident | 85.9 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 18% | 0.175 | 22% | 0.219 | C | C | . | . | trans | -122.2 | 148.6 | 172.1 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | R655 Q657 D662 | R655-S660 WeakPolarHBondContact CD-O 3.41Å; Q657-S660 PolarHBondContact O-N 2.97Å; S660-D662 VanDerWaalsContact C-N 3.3Å; S660-D662 WeakPolarHBondContact OG-CB 3.37Å; S660-D662 PolarHBondContact OG-N 3.04Å; S660-D662 VanDerWaalsContact OG-N 3.07Å; S660-D662 PolarHBondContact OG-OD2 3.48Å | ||
| 661 | L | 84.3 | Confident | 85.8 | Confident | 42 Ų | 42 | 42.2 Ų | 42.2 | 22% | 0.22 | 23% | 0.232 | C | C | . | . | trans | -78.2 | -17 | 169.7 | -58.2 | -179.2 | 0 | 0 | 0 | 112.3 | R655 I663 V672 C674 | R655-L661 VanDerWaalsContact NH2-CD2 3.33Å; L661-I663 PolarHBondContact O-N 3.5Å; L661-V672 HydrophobicContact CB-CB 4.47Å; L661-V672 WeakPolarHBondContact O-CB 3.49Å; L661-C674 HydrophobicContact CD1-CB 4.39Å | ||
| 662 | D | 90.4 | Very high | 85.8 | Confident | 39 Ų | 39 | 39.2 Ų | 39.2 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | trans | -55.6 | 136.4 | 179.4 | -54.9 | -44.5 | 0 | 0 | 0 | 111.1 | R655 C656 S660 C669 K670 H671 | R655-D662 CarbonylContact C-O 3.58Å; R655-D662 WeakPolarHBondContact CA-O 3.35Å; C656-D662 PolarHBondContact N-O 3.15Å; C656-D662 VanDerWaalsContact SG-C 3.51Å; C656-D662 PolarHBondContact SG-O 2.85Å; S660-D662 VanDerWaalsContact C-N 3.3Å; S660-D662 WeakPolarHBondContact OG-CB 3.37Å; S660-D662 PolarHBondContact OG-N 3.04Å; S660-D662 VanDerWaalsContact OG-N 3.07Å; S660-D662 PolarHBondContact OG-OD2 3.48Å; D662-C669 WeakPolarHBondContact CB-SG 3.49Å; D662-K670 CarbonylContact C-O 3.56Å; D662-K670 VanDerWaalsContact CA-O 3.31Å; D662-K670 WeakPolarHBondContact CA-O 3.22Å; D662-K670 WeakPolarHBondContact CB-O 3.48Å; D662-H671 VanDerWaalsContact OD1-CA 3.31Å; D662-H671 WeakPolarHBondContact OD1-CA 3.12Å; D662-H671 IonicContact OD1-CE1 2.69Å; D662-H671 IonicContact OD1-CG 3.27Å; D662-H671 IonicContact OD1-ND1 3.34Å; D662-H671 PolarHBondContact OD1-ND1 3.2Å | ||
| 663 | I | 92 | Very high | 85.6 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 144.8 | -176.6 | 63.8 | -167.4 | 0 | 0 | 0 | 112.2 | V559 T654 R655 L661 I665 K670 V672 L678 | V559-I663 HydrophobicContact CG2-CD1 3.51Å; V559-I663 HydrophobicContact CG2-CG1 4.44Å; T654-I663 WeakPolarHBondContact O-CA 3.4Å; R655-I663 HydrophobicContact CG-CG2 4.49Å; L661-I663 PolarHBondContact O-N 3.5Å; I663-I665 HydrophobicContact CD1-CD1 4.36Å; I663-I665 HydrophobicContact CG1-CD1 4.29Å; I663-I665 HydrophobicContact CG1-CG1 4.19Å; I663-K670 PolarHBondContact N-O 3.21Å; I663-K670 PolarHBondContact O-N 3.18Å; I663-V672 HydrophobicContact CB-CG2 4.21Å; I663-V672 HydrophobicContact CD1-CG2 3.69Å; I663-V672 HydrophobicContact CG1-CG2 3.55Å; I663-V672 HydrophobicContact CG2-CG2 4.1Å; I663-L678 HydrophobicContact CD1-CD1 4.45Å |
| 664 | C | 90.8 | Very high | 85.4 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 128.4 | 171.6 | -63.7 | 0 | 0 | 0 | 0 | 110.3 | C631 V650 D652 G653 T654 E668 | C631-C664 WeakPolarHBondContact CA-SG 3.23Å; C631-C664 HydrophobicContact CB-CB 3.68Å; C631-C664 WeakPolarHBondContact CB-SG 3.35Å; C631-C664 VanDerWaalsContact SG-CA 3.51Å; C631-C664 WeakPolarHBondContact SG-CB 3.45Å; C631-C664 CovalentContact SG-SG 2.04Å; C631-C664 PolarHBondContact SG-SG 2.78Å; V650-C664 HydrophobicContact CG2-CB 3.38Å; V650-C664 VanDerWaalsContact CG2-SG 3.6Å; D652-C664 CarbonylContact C-O 3.46Å; D652-C664 WeakPolarHBondContact CA-O 3.46Å; G653-C664 PolarHBondContact N-O 3.42Å; T654-C664 WeakPolarHBondContact O-CB 3.2Å; T654-C664 PolarHBondContact O-N 2.91Å; C664-E668 CarbonylContact C-O 3.24Å; C664-E668 WeakPolarHBondContact CA-O 3.34Å |
| 665 | I | 86.7 | Confident | 85.1 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 123.2 | 169.3 | -57.7 | -176.6 | 0 | 0 | 0 | 107.9 | V559 Y585 D652 I663 G667 E668 K670 L678 | V559-I665 HydrophobicContact CG1-CD1 4.11Å; V559-I665 HydrophobicContact CG2-CD1 3.91Å; V559-I665 HydrophobicContact CG2-CG1 4.16Å; Y585-I665 HydrophobicContact CD1-CG2 3.68Å; Y585-I665 HydrophobicContact CD2-CG2 3.98Å; Y585-I665 HydrophobicContact CE1-CG2 3.38Å; Y585-I665 HydrophobicContact CE2-CG2 3.73Å; Y585-I665 HydrophobicContact CG-CG2 3.93Å; D652-I665 WeakPolarHBondContact OD1-CA 3.36Å; I663-I665 HydrophobicContact CD1-CD1 4.36Å; I663-I665 HydrophobicContact CG1-CD1 4.29Å; I663-I665 HydrophobicContact CG1-CG1 4.19Å; I665-G667 VanDerWaalsContact C-N 3.29Å; I665-G667 PolarHBondContact O-N 2.92Å; I665-E668 PolarHBondContact N-O 2.91Å; I665-E668 PolarHBondContact O-N 2.93Å; I665-E668 VanDerWaalsContact O-N 3.13Å; I665-K670 HydrophobicContact CB-CG 3.93Å; I665-K670 HydrophobicContact CD1-CB 4.33Å; I665-K670 HydrophobicContact CD1-CG 4.21Å; I665-K670 HydrophobicContact CG1-CB 4.47Å; I665-K670 HydrophobicContact CG1-CG 4.16Å; I665-L678 HydrophobicContact CD1-CD1 3.63Å; I665-L678 HydrophobicContact CD1-CD2 3.57Å; I665-L678 HydrophobicContact CD1-CG 4.26Å |
| 666 | N | 74.9 | Confident | 84.8 | Confident | 30 Ų | 30 | 38.2 Ų | 38.2 | 16% | 0.16 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 43.3 | -179.5 | -146.3 | 86.7 | 0 | 0 | 0 | 113.6 | R225 D438 S439 Y585 D652 E668 | R225-N666 PolarHBondContact NH1-O 3.19Å; D438-N666 WeakPolarHBondContact CB-ND2 3.31Å; D438-N666 PolarHBondContact O-ND2 3.49Å; S439-N666 PolarHBondContact N-ND2 2.98Å; Y585-N666 PolarHBondContact OH-OD1 3.35Å; D652-N666 PolarHBondContact OD1-N 3.28Å; N666-E668 VanDerWaalsContact C-N 3.34Å; N666-E668 PolarHBondContact O-N 2.91Å |
| 667 | G | 78.8 | Confident | 84.7 | Confident | 23 Ų | 23 | 41.5 Ų | 41.5 | 24% | 0.237 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 7.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | C631 I665 | C631-G667 WeakPolarHBondContact CB-O 3.39Å; I665-G667 VanDerWaalsContact C-N 3.29Å; I665-G667 PolarHBondContact O-N 2.92Å |
| 668 | E | 81.1 | Confident | 84.7 | Confident | 65 Ų | 65 | 37.6 Ų | 37.6 | 30% | 0.304 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 147 | 177.7 | -169.6 | 178.1 | 67.7 | 0 | 0 | 111.9 | R225 C664 I665 N666 K670 | R225-E668 VanDerWaalsContact CD-OE1 3.24Å; R225-E668 WeakPolarHBondContact CD-OE1 3.35Å; R225-E668 VanDerWaalsContact CZ-CB 3.43Å; R225-E668 IonicContact CZ-OE1 2.67Å; R225-E668 IonicContact CZ-OE2 3.16Å; R225-E668 IonicContact NE-OE1 2.83Å; R225-E668 PolarHBondContact NE-OE1 3.33Å; R225-E668 IonicContact NE-OE2 3.15Å; R225-E668 PolarHBondContact NE-OE2 2.93Å; R225-E668 VanDerWaalsContact NH2-CD 3.25Å; R225-E668 IonicContact NH2-OE1 3.57Å; R225-E668 IonicContact NH2-OE2 3.94Å; R225-E668 PolarHBondContact NH2-OE2 3.47Å; C664-E668 CarbonylContact C-O 3.24Å; C664-E668 WeakPolarHBondContact CA-O 3.34Å; I665-E668 PolarHBondContact N-O 2.91Å; I665-E668 PolarHBondContact O-N 2.93Å; I665-E668 VanDerWaalsContact O-N 3.13Å; N666-E668 VanDerWaalsContact C-N 3.34Å; N666-E668 PolarHBondContact O-N 2.91Å; E668-K670 WeakPolarHBondContact OE1-CE 3.35Å; E668-K670 IonicContact OE1-NZ 3.57Å; E668-K670 PolarHBondContact OE1-NZ 2.84Å |
| 669 | C | 88.3 | Confident | 85.1 | Confident | 55 Ų | 55 | 38 Ų | 38 | 37% | 0.372 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.7 | 177.9 | -165.6 | 0 | 0 | 0 | 0 | 111.5 | C656 D662 | C656-C669 HydrophobicContact CB-CB 3.98Å; C656-C669 WeakPolarHBondContact CB-SG 3.33Å; C656-C669 WeakPolarHBondContact SG-CA 3.47Å; C656-C669 WeakPolarHBondContact SG-CB 3.21Å; C656-C669 CovalentContact SG-SG 2.03Å; C656-C669 PolarHBondContact SG-SG 3.45Å; D662-C669 WeakPolarHBondContact CB-SG 3.49Å |
| 670 | K | 88.7 | Confident | 85.7 | Confident | 45 Ų | 45 | 34 Ų | 34 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.8 | 179.5 | -61.9 | -60.7 | 177.6 | -170.2 | 0 | 110.9 | D662 I663 I665 E668 L678 | D662-K670 CarbonylContact C-O 3.56Å; D662-K670 VanDerWaalsContact CA-O 3.31Å; D662-K670 WeakPolarHBondContact CA-O 3.22Å; D662-K670 WeakPolarHBondContact CB-O 3.48Å; I663-K670 PolarHBondContact N-O 3.21Å; I663-K670 PolarHBondContact O-N 3.18Å; I665-K670 HydrophobicContact CB-CG 3.93Å; I665-K670 HydrophobicContact CD1-CB 4.33Å; I665-K670 HydrophobicContact CD1-CG 4.21Å; I665-K670 HydrophobicContact CG1-CB 4.47Å; I665-K670 HydrophobicContact CG1-CG 4.16Å; E668-K670 WeakPolarHBondContact OE1-CE 3.35Å; E668-K670 IonicContact OE1-NZ 3.57Å; E668-K670 PolarHBondContact OE1-NZ 2.84Å; K670-L678 HydrophobicContact CB-CD1 3.71Å |
| 671 | H | 89.3 | Confident | 85.7 | Confident | 67 Ų | 67 | 39.1 Ų | 39.1 | 31% | 0.31 | 22% | 0.219 | S | C | . | . | trans | -73.2 | 142.3 | -174.6 | -170.8 | 47 | 0 | 0 | 0 | 112.3 | D662 D679 | D662-H671 VanDerWaalsContact OD1-CA 3.31Å; D662-H671 WeakPolarHBondContact OD1-CA 3.12Å; D662-H671 IonicContact OD1-CE1 2.69Å; D662-H671 IonicContact OD1-CG 3.27Å; D662-H671 IonicContact OD1-ND1 3.34Å; D662-H671 PolarHBondContact OD1-ND1 3.2Å; H671-D679 PolarHBondContact O-N 3.06Å | ||
| 672 | V | 90.1 | Very high | 85.7 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -136.3 | 137.2 | 179.2 | -173.3 | 0 | 0 | 0 | 0 | 108.2 | L661 I663 N676 I677 | L661-V672 HydrophobicContact CB-CB 4.47Å; L661-V672 WeakPolarHBondContact O-CB 3.49Å; I663-V672 HydrophobicContact CB-CG2 4.21Å; I663-V672 HydrophobicContact CD1-CG2 3.69Å; I663-V672 HydrophobicContact CG1-CG2 3.55Å; I663-V672 HydrophobicContact CG2-CG2 4.1Å; V672-N676 VanDerWaalsContact CG1-CA 3.48Å; V672-I677 WeakPolarHBondContact CA-O 3.16Å |
| 673 | G | 85.9 | Confident | 85.5 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | trans | -73.9 | 174.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D675 N676 I677 A682 | G673-D675 VanDerWaalsContact C-OD1 3.31Å; G673-D675 VanDerWaalsContact CA-OD1 3.31Å; G673-D675 WeakPolarHBondContact CA-OD1 3.35Å; G673-D675 PolarHBondContact O-N 2.99Å; G673-D675 VanDerWaalsContact O-N 3.07Å; G673-N676 PolarHBondContact O-N 3.16Å; G673-N676 VanDerWaalsContact O-N 3.1Å; G673-I677 PolarHBondContact N-O 2.96Å; G673-I677 VanDerWaalsContact N-O 3.13Å; G673-A682 WeakPolarHBondContact CA-O 2.99Å | ||
| 674 | C | 85.9 | Confident | 85.2 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -12.5 | 172.6 | 60.3 | 0 | 0 | 0 | 0 | 114.2 | L661 N676 A682 R683 E684 C690 | L661-C674 HydrophobicContact CD1-CB 4.39Å; C674-N676 VanDerWaalsContact C-N 3.32Å; C674-A682 PolarHBondContact N-O 2.96Å; C674-A682 VanDerWaalsContact N-O 3.07Å; C674-R683 VanDerWaalsContact SG-CA 3.55Å; C674-R683 PolarHBondContact SG-N 3.05Å; C674-R683 PolarHBondContact SG-O 3.15Å; C674-R683 VanDerWaalsContact SG-O 3.34Å; C674-E684 HydrophobicContact CB-CG 3.98Å; C674-C690 HydrophobicContact CB-CB 3.58Å; C674-C690 WeakPolarHBondContact CB-SG 3.43Å; C674-C690 PolarHBondContact O-SG 3.23Å; C674-C690 WeakPolarHBondContact SG-CA 3.12Å; C674-C690 WeakPolarHBondContact SG-CB 3.33Å; C674-C690 CovalentContact SG-SG 2.03Å; C674-C690 PolarHBondContact SG-SG 2.59Å |
| 675 | D | 85.1 | Confident | 85 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 1.1 | 177.2 | 53.8 | 9 | 0 | 0 | 0 | 113.4 | G673 I677 S680 A682 C690 | G673-D675 VanDerWaalsContact C-OD1 3.31Å; G673-D675 VanDerWaalsContact CA-OD1 3.31Å; G673-D675 WeakPolarHBondContact CA-OD1 3.35Å; G673-D675 PolarHBondContact O-N 2.99Å; G673-D675 VanDerWaalsContact O-N 3.07Å; D675-I677 HydrophobicContact CB-CD1 4.21Å; D675-I677 HydrophobicContact CB-CG1 4.15Å; D675-I677 PolarHBondContact O-N 2.91Å; D675-I677 WeakPolarHBondContact OD1-CB 3.43Å; D675-I677 PolarHBondContact OD1-N 3.05Å; D675-S680 WeakPolarHBondContact OD1-CB 3.02Å; D675-S680 PolarHBondContact OD1-OG 2.74Å; D675-S680 VanDerWaalsContact OD2-CB 3.28Å; D675-S680 WeakPolarHBondContact OD2-CB 3.45Å; D675-S680 PolarHBondContact OD2-OG 2.93Å; D675-A682 HydrophobicContact CB-CB 4.41Å; D675-A682 WeakPolarHBondContact OD2-CB 3.21Å; D675-C690 PolarHBondContact N-SG 3.42Å |
| 676 | N | 85.3 | Confident | 85.1 | Confident | 34 Ų | 34 | 55.5 Ų | 55.5 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 59.7 | 20.7 | -169.3 | -56.4 | -63.2 | 0 | 0 | 0 | 114 | S587 I590 V672 G673 C674 | S587-N676 PolarHBondContact OG-O 2.98Å; S587-N676 VanDerWaalsContact OG-O 3.05Å; I590-N676 HydrophobicContact CB-CB 4.19Å; I590-N676 HydrophobicContact CG2-CB 4.3Å; I590-N676 PolarHBondContact O-ND2 3.1Å; V672-N676 VanDerWaalsContact CG1-CA 3.48Å; G673-N676 PolarHBondContact O-N 3.16Å; G673-N676 VanDerWaalsContact O-N 3.1Å; C674-N676 VanDerWaalsContact C-N 3.32Å |
| 677 | I | 85.8 | Confident | 85.7 | Confident | 73 Ų | 73 | 54.8 Ų | 54.8 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | trans | -96.7 | 125.7 | 178.8 | -59.9 | 176.9 | 0 | 0 | 0 | 110.7 | S587 V672 G673 D675 S680 | S587-I677 WeakPolarHBondContact OG-CA 3.03Å; V672-I677 WeakPolarHBondContact CA-O 3.16Å; G673-I677 PolarHBondContact N-O 2.96Å; G673-I677 VanDerWaalsContact N-O 3.13Å; D675-I677 HydrophobicContact CB-CD1 4.21Å; D675-I677 HydrophobicContact CB-CG1 4.15Å; D675-I677 PolarHBondContact O-N 2.91Å; D675-I677 WeakPolarHBondContact OD1-CB 3.43Å; D675-I677 PolarHBondContact OD1-N 3.05Å; I677-S680 WeakPolarHBondContact O-CB 3.03Å; I677-S680 PolarHBondContact O-N 3.23Å; I677-S680 VanDerWaalsContact O-N 3.14Å | ||
| 678 | L | 85.3 | Confident | 86 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -59.1 | 131.9 | 178.4 | 179.4 | 65.7 | 0 | 0 | 0 | 111.6 | S587 I663 I665 K670 S680 | S587-L678 PolarHBondContact OG-N 3.17Å; I663-L678 HydrophobicContact CD1-CD1 4.45Å; I665-L678 HydrophobicContact CD1-CD1 3.63Å; I665-L678 HydrophobicContact CD1-CD2 3.57Å; I665-L678 HydrophobicContact CD1-CG 4.26Å; K670-L678 HydrophobicContact CB-CD1 3.71Å; L678-S680 PolarHBondContact O-N 2.79Å; L678-S680 VanDerWaalsContact O-N 3.12Å |
| 679 | D | 82.4 | Confident | 86.3 | Confident | 82 Ų | 82 | 57 Ų | 57 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 14 | -174.8 | -74.6 | -56 | 0 | 0 | 0 | 114.9 | R222 H671 | R222-D679 IonicContact CZ-OD1 2.69Å; R222-D679 IonicContact NH1-OD1 2.99Å; R222-D679 PolarHBondContact NH1-OD1 2.77Å; H671-D679 PolarHBondContact O-N 3.06Å |
| 680 | S | 85.4 | Confident | 86.2 | Confident | 23 Ų | 23 | 57 Ų | 57 | 16% | 0.161 | 29% | 0.287 | C | S | . | . | trans | -63.4 | 155.9 | 170.2 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | D675 I677 L678 A682 | D675-S680 WeakPolarHBondContact OD1-CB 3.02Å; D675-S680 PolarHBondContact OD1-OG 2.74Å; D675-S680 VanDerWaalsContact OD2-CB 3.28Å; D675-S680 WeakPolarHBondContact OD2-CB 3.45Å; D675-S680 PolarHBondContact OD2-OG 2.93Å; I677-S680 WeakPolarHBondContact O-CB 3.03Å; I677-S680 PolarHBondContact O-N 3.23Å; I677-S680 VanDerWaalsContact O-N 3.14Å; L678-S680 PolarHBondContact O-N 2.79Å; L678-S680 VanDerWaalsContact O-N 3.12Å; S680-A682 PolarHBondContact OG-N 3.45Å | ||
| 681 | V | 83.2 | Confident | 85.9 | Confident | 132 Ų | 132 | 58 Ų | 58 | 80% | 0.8 | 31% | 0.309 | S | S | * | . | trans | -106.2 | 1.7 | 175.7 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 682 | A | 85.1 | Confident | 85.4 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | trans | -63.5 | 134.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G673 C674 D675 S680 | G673-A682 WeakPolarHBondContact CA-O 2.99Å; C674-A682 PolarHBondContact N-O 2.96Å; C674-A682 VanDerWaalsContact N-O 3.07Å; D675-A682 HydrophobicContact CB-CB 4.41Å; D675-A682 WeakPolarHBondContact OD2-CB 3.21Å; S680-A682 PolarHBondContact OG-N 3.45Å | ||
| 683 | R | 85 | Confident | 85 | Confident | 192 Ų | 192 | 62.1 Ų | 62.1 | 73% | 0.725 | 34% | 0.34 | S | S | * | . | trans | -127.7 | 152.9 | -179.8 | -65.9 | -176.3 | 177.6 | -153.5 | -5.5 | 111.3 | C674 G691 | C674-R683 VanDerWaalsContact SG-CA 3.55Å; C674-R683 PolarHBondContact SG-N 3.05Å; C674-R683 PolarHBondContact SG-O 3.15Å; C674-R683 VanDerWaalsContact SG-O 3.34Å; R683-G691 PolarHBondContact O-N 2.02Å | ||
| 684 | E | 86.6 | Confident | 84.8 | Confident | 72 Ų | 72 | 62.3 Ų | 62.3 | 34% | 0.336 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -61.3 | 138.6 | 164 | -72.3 | 174.5 | -166.3 | 0 | 0 | 110 | C674 R688 | C674-E684 HydrophobicContact CB-CG 3.98Å; E684-R688 VanDerWaalsContact CD-NH2 3.27Å; E684-R688 IonicContact OE1-CZ 2.72Å; E684-R688 IonicContact OE1-NE 2.75Å; E684-R688 IonicContact OE1-NH2 3.71Å; E684-R688 PolarHBondContact OE1-NH2 3.37Å; E684-R688 IonicContact OE2-CZ 3.79Å; E684-R688 VanDerWaalsContact OE2-CZ 3.24Å; E684-R688 IonicContact OE2-NE 3.26Å; E684-R688 PolarHBondContact OE2-NE 3.27Å; E684-R688 IonicContact OE2-NH2 3.79Å; E684-R688 PolarHBondContact OE2-NH2 2.76Å |
| 685 | D | 86.9 | Confident | 84.5 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 11% | 0.107 | 36% | 0.359 | C | S | . | . | trans | -81.6 | -175 | 168.1 | 75.1 | -2.2 | 0 | 0 | 0 | 111.5 | C687 R688 V689 G692 D693 G694 | D685-C687 PolarHBondContact O-N 2.94Å; D685-C687 VanDerWaalsContact OD1-C 3.29Å; D685-C687 VanDerWaalsContact OD1-CA 3.24Å; D685-C687 WeakPolarHBondContact OD1-CA 3.36Å; D685-C687 VanDerWaalsContact OD1-CB 3.29Å; D685-C687 WeakPolarHBondContact OD1-CB 3.39Å; D685-C687 PolarHBondContact OD1-N 2.78Å; D685-R688 PolarHBondContact O-N 2.8Å; D685-R688 PolarHBondContact OD1-N 2.51Å; D685-R688 VanDerWaalsContact OD1-N 3.13Å; D685-V689 PolarHBondContact N-O 2.92Å; D685-V689 PolarHBondContact OD1-N 3.28Å; D685-G692 WeakPolarHBondContact CB-O 3.46Å; D685-G692 VanDerWaalsContact OD2-C 3.32Å; D685-G692 VanDerWaalsContact OD2-CA 3.32Å; D685-G692 WeakPolarHBondContact OD2-CA 3.33Å; D685-D693 PolarHBondContact OD2-N 3.46Å; D685-G694 VanDerWaalsContact OD2-CA 3.25Å; D685-G694 WeakPolarHBondContact OD2-CA 3.4Å; D685-G694 PolarHBondContact OD2-N 3.44Å | ||
| 686 | R | 87.3 | Confident | 84.4 | Confident | 126 Ų | 126 | 65.9 Ų | 65.9 | 48% | 0.475 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -12.1 | 177.2 | 69.3 | 171.3 | -172.3 | 162.5 | 4.3 | 114.2 | G694 C697 H725 N808 | R686-G694 VanDerWaalsContact CZ-O 3.26Å; R686-G694 PolarHBondContact NE-O 2.84Å; R686-G694 PolarHBondContact NH2-O 3.27Å; R686-C697 PolarHBondContact NH2-O 2.95Å; R686-H725 PolarHBondContact O-CD2 3.39Å; R686-N808 PolarHBondContact O-ND2 2.86Å |
| 687 | C | 88.1 | Confident | 84.6 | Confident | 15 Ų | 15 | 64.4 Ų | 64.4 | 10% | 0.101 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 8.8 | -178.9 | -50.6 | 0 | 0 | 0 | 0 | 112.3 | D685 V689 G694 T696 C697 | D685-C687 PolarHBondContact O-N 2.94Å; D685-C687 VanDerWaalsContact OD1-C 3.29Å; D685-C687 VanDerWaalsContact OD1-CA 3.24Å; D685-C687 WeakPolarHBondContact OD1-CA 3.36Å; D685-C687 VanDerWaalsContact OD1-CB 3.29Å; D685-C687 WeakPolarHBondContact OD1-CB 3.39Å; D685-C687 PolarHBondContact OD1-N 2.78Å; C687-V689 HydrophobicContact CB-CG2 4.18Å; C687-V689 PolarHBondContact O-N 3.01Å; C687-G694 PolarHBondContact SG-O 3.29Å; C687-T696 WeakPolarHBondContact CB-OG1 3.34Å; C687-T696 PolarHBondContact SG-OG1 2.03Å; C687-T696 VanDerWaalsContact SG-OG1 3.4Å; C687-C697 WeakPolarHBondContact CA-SG 3.35Å; C687-C697 HydrophobicContact CB-CB 3.66Å; C687-C697 WeakPolarHBondContact CB-SG 3.46Å; C687-C697 WeakPolarHBondContact SG-CB 3.46Å; C687-C697 PolarHBondContact SG-N 3.05Å; C687-C697 CovalentContact SG-SG 2.03Å; C687-C697 PolarHBondContact SG-SG 2.76Å |
| 688 | R | 86.1 | Confident | 84.8 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 28% | 0.283 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 57.8 | 22 | -170.2 | -54.9 | -159.7 | 73.1 | -165.5 | 0.2 | 114.7 | E684 D685 V724 H725 L783 G784 | E684-R688 VanDerWaalsContact CD-NH2 3.27Å; E684-R688 IonicContact OE1-CZ 2.72Å; E684-R688 IonicContact OE1-NE 2.75Å; E684-R688 IonicContact OE1-NH2 3.71Å; E684-R688 PolarHBondContact OE1-NH2 3.37Å; E684-R688 IonicContact OE2-CZ 3.79Å; E684-R688 VanDerWaalsContact OE2-CZ 3.24Å; E684-R688 IonicContact OE2-NE 3.26Å; E684-R688 PolarHBondContact OE2-NE 3.27Å; E684-R688 IonicContact OE2-NH2 3.79Å; E684-R688 PolarHBondContact OE2-NH2 2.76Å; D685-R688 PolarHBondContact O-N 2.8Å; D685-R688 PolarHBondContact OD1-N 2.51Å; D685-R688 VanDerWaalsContact OD1-N 3.13Å; R688-V724 HydrophobicContact CB-CG1 4.37Å; R688-V724 HydrophobicContact CG-CB 3.92Å; R688-V724 HydrophobicContact CG-CG1 3.98Å; R688-V724 HydrophobicContact CG-CG2 4.27Å; R688-H725 WeakPolarHBondContact CG-NE2 3.44Å; R688-L783 VanDerWaalsContact CD-O 3.22Å; R688-L783 WeakPolarHBondContact CD-O 3.23Å; R688-G784 PolarHBondContact NH1-O 2.95Å |
| 689 | V | 87 | Confident | 85 | Confident | 59 Ų | 59 | 68 Ų | 68 | 36% | 0.358 | 38% | 0.382 | S | S | . | . | trans | -83.7 | 122.6 | 170.4 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | D685 C687 G691 G692 T696 | D685-V689 PolarHBondContact N-O 2.92Å; D685-V689 PolarHBondContact OD1-N 3.28Å; C687-V689 HydrophobicContact CB-CG2 4.18Å; C687-V689 PolarHBondContact O-N 3.01Å; V689-G691 PolarHBondContact O-N 3.24Å; V689-G692 PolarHBondContact O-N 3.24Å; V689-G692 VanDerWaalsContact O-N 3.16Å; V689-T696 HydrophobicContact CG2-CG2 4.41Å; V689-T696 WeakPolarHBondContact CG2-OG1 3.09Å | ||
| 690 | C | 85.3 | Confident | 85.5 | Confident | 56 Ų | 56 | 66.2 Ų | 66.2 | 38% | 0.378 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -65.3 | 119 | 177.5 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | C674 D675 G692 | C674-C690 HydrophobicContact CB-CB 3.58Å; C674-C690 WeakPolarHBondContact CB-SG 3.43Å; C674-C690 PolarHBondContact O-SG 3.23Å; C674-C690 WeakPolarHBondContact SG-CA 3.12Å; C674-C690 WeakPolarHBondContact SG-CB 3.33Å; C674-C690 CovalentContact SG-SG 2.03Å; C674-C690 PolarHBondContact SG-SG 2.59Å; D675-C690 PolarHBondContact N-SG 3.42Å; C690-G692 PolarHBondContact O-N 2.89Å |
| 691 | G | 82.4 | Confident | 86 | Confident | 65 Ų | 65 | 70 Ų | 70 | 67% | 0.67 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 15.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R683 V689 | R683-G691 PolarHBondContact O-N 2.02Å; V689-G691 PolarHBondContact O-N 3.24Å |
| 692 | G | 80.3 | Confident | 86.5 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | trans | -71.9 | 168.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D685 V689 C690 | D685-G692 WeakPolarHBondContact CB-O 3.46Å; D685-G692 VanDerWaalsContact OD2-C 3.32Å; D685-G692 VanDerWaalsContact OD2-CA 3.32Å; D685-G692 WeakPolarHBondContact OD2-CA 3.33Å; V689-G692 PolarHBondContact O-N 3.24Å; V689-G692 VanDerWaalsContact O-N 3.16Å; C690-G692 PolarHBondContact O-N 2.89Å | ||
| 693 | D | 80.9 | Confident | 87 | Confident | 130 Ų | 130 | 67.5 Ų | 67.5 | 70% | 0.695 | 37% | 0.371 | S | S | * | . | trans | -100.5 | 0.2 | 178.9 | 68.8 | -16.1 | 0 | 0 | 0 | 113.4 | D685 S695 | D685-D693 PolarHBondContact OD2-N 3.46Å; D693-S695 WeakPolarHBondContact OD1-CB 3.23Å; D693-S695 PolarHBondContact OD1-N 2.88Å; D693-S695 PolarHBondContact OD1-OG 2.91Å; D693-S695 WeakPolarHBondContact OD2-CB 3.25Å; D693-S695 PolarHBondContact OD2-OG 2.89Å | ||
| 694 | G | 81.8 | Confident | 87.3 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 80.2 | 9.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D685 R686 C687 | D685-G694 VanDerWaalsContact OD2-CA 3.25Å; D685-G694 WeakPolarHBondContact OD2-CA 3.4Å; D685-G694 PolarHBondContact OD2-N 3.44Å; R686-G694 VanDerWaalsContact CZ-O 3.26Å; R686-G694 PolarHBondContact NE-O 2.84Å; R686-G694 PolarHBondContact NH2-O 3.27Å; C687-G694 PolarHBondContact SG-O 3.29Å |
| 695 | S | 80.2 | Confident | 87.5 | Confident | 72 Ų | 72 | 60.6 Ų | 60.6 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -10.4 | -176.6 | 67.5 | 0 | 0 | 0 | 0 | 115.4 | D693 | D693-S695 WeakPolarHBondContact OD1-CB 3.23Å; D693-S695 PolarHBondContact OD1-N 2.88Å; D693-S695 PolarHBondContact OD1-OG 2.91Å; D693-S695 WeakPolarHBondContact OD2-CB 3.25Å; D693-S695 PolarHBondContact OD2-OG 2.89Å |
| 696 | T | 82.9 | Confident | 87.4 | Confident | 68 Ų | 68 | 64 Ų | 64 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.3 | -173.8 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | C687 V689 I811 | C687-T696 WeakPolarHBondContact CB-OG1 3.34Å; C687-T696 PolarHBondContact SG-OG1 2.03Å; C687-T696 VanDerWaalsContact SG-OG1 3.4Å; V689-T696 HydrophobicContact CG2-CG2 4.41Å; V689-T696 WeakPolarHBondContact CG2-OG1 3.09Å; T696-I811 PolarHBondContact O-N 3.31Å |
| 697 | C | 87.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.014 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 154.7 | -179 | 69.8 | 0 | 0 | 0 | 0 | 111.9 | R686 C687 N808 I809 | R686-C697 PolarHBondContact NH2-O 2.95Å; C687-C697 WeakPolarHBondContact CA-SG 3.35Å; C687-C697 HydrophobicContact CB-CB 3.66Å; C687-C697 WeakPolarHBondContact CB-SG 3.46Å; C687-C697 WeakPolarHBondContact SG-CB 3.46Å; C687-C697 PolarHBondContact SG-N 3.05Å; C687-C697 CovalentContact SG-SG 2.03Å; C687-C697 PolarHBondContact SG-SG 2.76Å; C697-N808 HydrophobicContact CB-CB 4.28Å; C697-I809 CarbonylContact C-O 3.51Å; C697-I809 WeakPolarHBondContact CA-O 3.42Å; C697-I809 VanDerWaalsContact CB-O 3.27Å; C697-I809 WeakPolarHBondContact CB-O 3.36Å |
| 698 | E | 90.1 | Very high | 86.1 | Confident | 132 Ų | 132 | 65.6 Ų | 65.6 | 62% | 0.617 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.5 | 174.6 | -176.5 | 158.7 | -142.9 | 0 | 0 | 110.2 | N808 I809 I811 | E698-N808 CarbonylContact O-C 3.45Å; E698-N808 VanDerWaalsContact O-CA 3.29Å; E698-N808 WeakPolarHBondContact O-CA 3.48Å; E698-I809 PolarHBondContact N-O 2.86Å; E698-I809 PolarHBondContact O-N 2.93Å; E698-I811 HydrophobicContact CB-CD1 4.2Å; E698-I811 HydrophobicContact CB-CG1 3.99Å |
| 699 | A | 90.3 | Very high | 85.5 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 120.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | N808 | A699-N808 WeakPolarHBondContact CA-OD1 3.44Å; A699-N808 VanDerWaalsContact CB-OD1 3.27Å; A699-N808 WeakPolarHBondContact CB-OD1 3.33Å |
| 700 | T | 93.7 | Very high | 84.8 | Confident | 45 Ų | 45 | 71.5 Ų | 71.5 | 28% | 0.276 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128.5 | 170.9 | -65.2 | 0 | 0 | 0 | 0 | 108.9 | Y805 R806 F807 I809 | T700-Y805 HydrophobicContact CG2-CE2 4.37Å; T700-R806 CarbonylContact O-C 3.54Å; T700-R806 VanDerWaalsContact O-CA 3.32Å; T700-R806 WeakPolarHBondContact O-CA 3.41Å; T700-F807 HydrophobicContact CG2-CE1 4.27Å; T700-F807 HydrophobicContact CG2-CE2 4.04Å; T700-F807 HydrophobicContact CG2-CZ 3.8Å; T700-F807 PolarHBondContact N-O 2.95Å; T700-F807 PolarHBondContact O-N 2.6Å; T700-F807 VanDerWaalsContact O-O 3.06Å; T700-I809 VanDerWaalsContact OG1-CD1 3.26Å; T700-I809 WeakPolarHBondContact OG1-CD1 3.35Å |
| 701 | E | 95 | Very high | 84.2 | Confident | 102 Ų | 102 | 71.2 Ų | 71.2 | 48% | 0.477 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 140.1 | 179.9 | -171.4 | 172.4 | 153.7 | 0 | 0 | 109.4 | H804 Y805 R806 | E701-H804 WeakPolarHBondContact CG-NE2 3.49Å; E701-H804 IonicContact OE1-CE1 2.59Å; E701-H804 IonicContact OE1-NE2 3.32Å; E701-H804 PolarHBondContact OE1-NE2 3.22Å; E701-Y805 CarbonylContact C-O 3.58Å; E701-Y805 VanDerWaalsContact CA-O 3.31Å; E701-Y805 WeakPolarHBondContact CA-O 3.5Å; E701-R806 HydrophobicContact CB-CB 4.49Å; E701-R806 HydrophobicContact CB-CG 4.23Å; E701-R806 HydrophobicContact CG-CB 4.13Å; E701-R806 HydrophobicContact CG-CG 4.17Å; E701-R806 WeakPolarHBondContact OE2-CD 3.42Å; E701-R806 IonicContact OE2-CZ 2.84Å; E701-R806 VanDerWaalsContact OE2-CZ 3.26Å; E701-R806 IonicContact OE2-NE 3.38Å; E701-R806 PolarHBondContact OE2-NE 3.04Å; E701-R806 IonicContact OE2-NH1 3.51Å; E701-R806 PolarHBondContact OE2-NH1 3.09Å |
| 702 | G | 94.3 | Very high | 84.3 | Confident | 17 Ų | 17 | 69.1 Ų | 69.1 | 18% | 0.175 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 173.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H804 Y805 | G702-H804 WeakPolarHBondContact O-CA 3.24Å; G702-H804 PolarHBondContact O-CD2 2.85Å; G702-H804 VanDerWaalsContact O-CD2 3.29Å; G702-Y805 PolarHBondContact N-O 2.87Å; G702-Y805 PolarHBondContact O-N 2.68Å |
| 703 | L | 94.5 | Very high | 84.7 | Confident | 91 Ų | 91 | 69.5 Ų | 69.5 | 48% | 0.476 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 122.6 | 178 | 172.6 | 62.4 | 0 | 0 | 0 | 109 | V731 I803 | L703-V731 HydrophobicContact CD1-CG2 3.64Å; L703-I803 WeakPolarHBondContact CA-O 3.44Å |
| 704 | F | 92.8 | Very high | 85.1 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 105.1 | 177.3 | 178.2 | -103.5 | 0 | 0 | 0 | 110.3 | D706 L708 V716 V794 N800 G802 I803 Y805 | F704-D706 HydrophobicContact CE2-CB 4.02Å; F704-D706 HydrophobicContact CZ-CB 4.2Å; F704-L708 HydrophobicContact CE1-CD1 4.21Å; F704-L708 HydrophobicContact CE2-CD1 4.44Å; F704-L708 HydrophobicContact CZ-CD1 3.55Å; F704-V716 HydrophobicContact CB-CG1 3.74Å; F704-V716 HydrophobicContact CD1-CB 4.31Å; F704-V716 HydrophobicContact CD1-CG1 4.03Å; F704-V716 HydrophobicContact CD1-CG2 3.92Å; F704-V716 HydrophobicContact CE1-CG2 4.04Å; F704-V716 HydrophobicContact CG-CB 4.43Å; F704-V716 HydrophobicContact CG-CG1 3.93Å; F704-V794 HydrophobicContact CE1-CG1 3.96Å; F704-N800 WeakPolarHBondContact CD1-ND2 3.3Å; F704-N800 PolarHBondContact O-ND2 3.48Å; F704-G802 WeakPolarHBondContact O-CA 3.36Å; F704-I803 PolarHBondContact N-O 2.94Å; F704-I803 PolarHBondContact O-N 2.87Å; F704-Y805 HydrophobicContact CB-CE1 4.43Å |
| 705 | N | 89.6 | Confident | 85.6 | Confident | 96 Ų | 96 | 69.7 Ų | 69.7 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | trans | -126.5 | 23.3 | -176.8 | 63.7 | -12.6 | 0 | 0 | 0 | 113.3 | N800 | N705-N800 WeakPolarHBondContact CA-ND2 3.43Š| ||
| 706 | D | 85.4 | Confident | 86.2 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | trans | -63.1 | 138.3 | -176.9 | -78.3 | -20.8 | 0 | 0 | 0 | 113.1 | F704 L708 | F704-D706 HydrophobicContact CE2-CB 4.02Å; F704-D706 HydrophobicContact CZ-CB 4.2Å; D706-L708 HydrophobicContact CB-CD1 3.85Å; D706-L708 HydrophobicContact CB-CG 3.98Å; D706-L708 PolarHBondContact O-N 3.05Å | ||
| 707 | S | 75.6 | Confident | 86.7 | Confident | 118 Ų | 118 | 64.5 Ų | 64.5 | 83% | 0.825 | 36% | 0.362 | S | S | * | . | trans | -83 | 97.1 | -179.4 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 708 | L | 71.7 | Confident | 87.1 | Confident | 57 Ų | 57 | 70 Ų | 70 | 30% | 0.298 | 39% | 0.387 | S | S | . | . | trans | -120.3 | 154.1 | -166.3 | -69.1 | 167.9 | 0 | 0 | 0 | 113.2 | F704 D706 M714 L796 | F704-L708 HydrophobicContact CE1-CD1 4.21Å; F704-L708 HydrophobicContact CE2-CD1 4.44Å; F704-L708 HydrophobicContact CZ-CD1 3.55Å; D706-L708 HydrophobicContact CB-CD1 3.85Å; D706-L708 HydrophobicContact CB-CG 3.98Å; D706-L708 PolarHBondContact O-N 3.05Å; L708-M714 HydrophobicContact CB-CG 4.34Å; L708-M714 HydrophobicContact CD1-CB 4.03Å; L708-M714 HydrophobicContact CD1-CE 4.03Å; L708-M714 HydrophobicContact CD1-CG 3.87Å; L708-M714 HydrophobicContact CD2-CE 4.08Å; L708-L796 HydrophobicContact CB-CD1 3.62Å | ||
| 709 | P | 73.4 | Confident | 87.3 | Confident | 99 Ų | 99 | 63.8 Ų | 63.8 | 64% | 0.643 | 36% | 0.358 | S | S | * | . | trans | -67 | 137.6 | 180 | 27.9 | -34.6 | 0 | 0 | 0 | 111.8 | ||||
| 710 | R | 73.6 | Confident | 87.5 | Confident | 160 Ų | 160 | 63.7 Ų | 63.7 | 60% | 0.604 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -71.1 | 152.9 | -179.6 | -61.8 | -175.1 | -176.4 | -179.9 | 2.4 | 112.2 | E798 | R710-E798 PolarHBondContact NE-O 2.92Š|
| 711 | G | 73.1 | Confident | 87.4 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 52% | 0.515 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 86.8 | 35 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | W753 L796 | G711-W753 WeakPolarHBondContact O-CH2 2.98Å; G711-L796 PolarHBondContact N-O 3.17Å |
| 712 | G | 83.4 | Confident | 87.2 | Confident | 21 Ų | 21 | 63.4 Ų | 63.4 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -151.1 | 165.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L796 | G712-L796 PolarHBondContact O-N 2.89Å; G712-L796 VanDerWaalsContact O-N 3.16Å |
| 713 | Y | 88.5 | Confident | 87.2 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 15% | 0.145 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 128.7 | 167 | -68.9 | -96.1 | 0 | 0 | 0 | 109.2 | A739 Y747 N750 W753 M793 V794 L795 | Y713-A739 HydrophobicContact CD1-CB 4.15Å; Y713-A739 HydrophobicContact CE1-CB 3.89Å; Y713-Y747 AromaticContact CD1-CE1 3.76Å; Y713-Y747 HydrophobicContact CD1-CE1 3.76Å; Y713-Y747 AromaticContact CE1-CE1 3.85Å; Y713-Y747 HydrophobicContact CE1-CE1 3.85Å; Y713-Y747 HydrophobicContact CG-CE1 4.3Å; Y713-N750 VanDerWaalsContact CE1-O 3.29Å; Y713-N750 WeakPolarHBondContact CE1-O 3.44Å; Y713-N750 PolarHBondContact OH-O 2.89Å; Y713-W753 HydrophobicContact CE2-CD2 4.39Å; Y713-W753 PolarHBondContact OH-N 2.99Å; Y713-W753 VanDerWaalsContact OH-N 3.14Å; Y713-M793 HydrophobicContact CD1-CB 4.36Å; Y713-V794 CarbonylContact C-O 3.58Å; Y713-V794 WeakPolarHBondContact CA-O 3.38Å; Y713-L795 HydrophobicContact CD1-CB 3.99Å; Y713-L795 HydrophobicContact CD2-CD1 4.07Å; Y713-L795 HydrophobicContact CE1-CB 3.83Å; Y713-L795 HydrophobicContact CE1-CD1 4.44Å; Y713-L795 HydrophobicContact CE1-CD2 4.39Å; Y713-L795 HydrophobicContact CE1-CG 4.44Å; Y713-L795 HydrophobicContact CE2-CD1 3.92Å; Y713-L795 HydrophobicContact CG-CD1 4.39Å |
| 714 | M | 89.7 | Confident | 87.1 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 29% | 0.286 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 138.1 | 177 | -59.4 | -57 | -45.8 | 0 | 0 | 109.7 | L708 M793 V794 L796 | L708-M714 HydrophobicContact CB-CG 4.34Å; L708-M714 HydrophobicContact CD1-CB 4.03Å; L708-M714 HydrophobicContact CD1-CE 4.03Å; L708-M714 HydrophobicContact CD1-CG 3.87Å; L708-M714 HydrophobicContact CD2-CE 4.08Å; M714-M793 CarbonylContact O-C 3.57Å; M714-M793 VanDerWaalsContact O-CA 3.26Å; M714-M793 WeakPolarHBondContact O-CA 3.46Å; M714-V794 HydrophobicContact CB-CG1 4.13Å; M714-V794 PolarHBondContact N-O 3.46Å; M714-V794 PolarHBondContact O-N 2.84Å; M714-L796 HydrophobicContact CG-CD1 3.89Å |
| 715 | E | 91.5 | Very high | 87.1 | Confident | 80 Ų | 80 | 60.7 Ų | 60.7 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 136.4 | 175.3 | -169.4 | 166.4 | 97.3 | 0 | 0 | 110.4 | Q718 S791 M793 | E715-Q718 WeakPolarHBondContact OE1-CG 3.46Å; E715-Q718 PolarHBondContact OE1-NE2 2.83Å; E715-S791 VanDerWaalsContact OE2-CB 3.26Å; E715-S791 WeakPolarHBondContact OE2-CB 3.45Å; E715-S791 PolarHBondContact OE2-OG 2.03Å; E715-M793 HydrophobicContact CB-CE 4.16Å; E715-M793 HydrophobicContact CB-SD 3.75Å; E715-M793 HydrophobicContact CG-SD 3.97Å |
| 716 | V | 92.9 | Very high | 87.4 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -51 | -175.4 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | F704 V792 V794 I803 Y805 | F704-V716 HydrophobicContact CB-CG1 3.74Å; F704-V716 HydrophobicContact CD1-CB 4.31Å; F704-V716 HydrophobicContact CD1-CG1 4.03Å; F704-V716 HydrophobicContact CD1-CG2 3.92Å; F704-V716 HydrophobicContact CE1-CG2 4.04Å; F704-V716 HydrophobicContact CG-CB 4.43Å; F704-V716 HydrophobicContact CG-CG1 3.93Å; V716-V792 HydrophobicContact CB-CB 4.23Å; V716-V792 HydrophobicContact CB-CG1 4.01Å; V716-V792 WeakPolarHBondContact CB-O 3.5Å; V716-V792 HydrophobicContact CG1-CG1 4.37Å; V716-V792 HydrophobicContact CG2-CG1 4.36Å; V716-V792 PolarHBondContact N-O 2.78Å; V716-V794 HydrophobicContact CG2-CB 3.93Å; V716-V794 HydrophobicContact CG2-CG1 3.7Å; V716-I803 HydrophobicContact CG1-CB 4.29Å; V716-I803 HydrophobicContact CG1-CG2 4.11Å; V716-I803 HydrophobicContact CG2-CD1 4Å; V716-Y805 HydrophobicContact CG1-CD1 4.09Å; V716-Y805 HydrophobicContact CG1-CE1 4.48Å |
| 717 | V | 94.8 | Very high | 87.9 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 12% | 0.121 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 149.7 | 179.1 | 65.5 | 0 | 0 | 0 | 0 | 109.7 | V792 Y805 F807 | V717-V792 HydrophobicContact CG1-CB 3.91Å; V717-V792 HydrophobicContact CG1-CG2 3.77Å; V717-V792 WeakPolarHBondContact O-CB 3.22Å; V717-V792 PolarHBondContact O-N 2.85Å; V717-Y805 HydrophobicContact CB-CD1 4.12Å; V717-Y805 HydrophobicContact CB-CD2 4.21Å; V717-Y805 HydrophobicContact CB-CE1 3.99Å; V717-Y805 HydrophobicContact CB-CE2 4.12Å; V717-Y805 HydrophobicContact CB-CG 4.22Å; V717-Y805 HydrophobicContact CG1-CD1 3.99Å; V717-Y805 HydrophobicContact CG1-CD2 4.02Å; V717-Y805 HydrophobicContact CG1-CE1 4.38Å; V717-Y805 HydrophobicContact CG1-CE2 4.44Å; V717-Y805 HydrophobicContact CG1-CG 3.79Å; V717-Y805 HydrophobicContact CG2-CD2 4.01Å; V717-Y805 HydrophobicContact CG2-CE1 4.41Å; V717-Y805 HydrophobicContact CG2-CE2 3.69Å; V717-F807 HydrophobicContact CG1-CE1 4.15Å; V717-F807 HydrophobicContact CG2-CE1 3.78Å; V717-F807 HydrophobicContact CG2-CZ 3.78Å |
| 718 | Q | 94.4 | Very high | 88.9 | Confident | 117 Ų | 117 | 50 Ų | 50 | 55% | 0.547 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 131.6 | 168.7 | -61.4 | -176.2 | 4.9 | 0 | 0 | 109.7 | E715 P720 F807 | E715-Q718 WeakPolarHBondContact OE1-CG 3.46Å; E715-Q718 PolarHBondContact OE1-NE2 2.83Å; Q718-P720 WeakPolarHBondContact O-CD 3.5Å; Q718-F807 WeakPolarHBondContact O-CZ 3.39Å |
| 719 | I | 95.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 111.3 | 176.5 | -62.7 | 168.1 | 0 | 0 | 0 | 107.5 | I726 I728 L790 V792 F807 | I719-I726 HydrophobicContact CD1-CG2 3.69Å; I719-I726 HydrophobicContact CG2-CD1 3.85Å; I719-I726 HydrophobicContact CG2-CG1 4.18Å; I719-I728 HydrophobicContact CD1-CD1 4.07Å; I719-L790 HydrophobicContact CB-CB 4.44Å; I719-L790 PolarHBondContact N-O 2.84Å; I719-L790 PolarHBondContact O-N 2.87Å; I719-V792 HydrophobicContact CD1-CG2 3.5Å; I719-V792 HydrophobicContact CG1-CG2 4.02Å; I719-F807 HydrophobicContact CG1-CD1 3.99Å; I719-F807 HydrophobicContact CG1-CE1 3.86Å; I719-F807 HydrophobicContact CG1-CG 4.43Å; I719-F807 HydrophobicContact CG1-CZ 4.18Å; I719-F807 HydrophobicContact CG2-CD2 4.42Å |
| 720 | P | 93.9 | Very high | 91 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 28% | 0.279 | 24% | 0.239 | S | C | . | . | trans | -66.5 | 154.5 | -179.9 | -22.9 | 35.1 | 0 | 0 | 0 | 113 | Q718 G722 S723 T786 N789 I809 | Q718-P720 WeakPolarHBondContact O-CD 3.5Å; P720-G722 PolarHBondContact O-N 2.92Å; P720-S723 VanDerWaalsContact O-CB 3.28Å; P720-S723 WeakPolarHBondContact O-CB 3.4Å; P720-S723 PolarHBondContact O-N 3.13Å; P720-S723 PolarHBondContact O-OG 2.93Å; P720-T786 PolarHBondContact O-OG1 3.28Å; P720-T786 VanDerWaalsContact O-OG1 3.08Å; P720-N789 WeakPolarHBondContact CA-OD1 3.46Å; P720-I809 HydrophobicContact CB-CG2 4.37Å; P720-I809 HydrophobicContact CG-CD1 4.11Å; P720-I809 HydrophobicContact CG-CG1 4.36Å; P720-I809 HydrophobicContact CG-CG2 4.3Å | ||
| 721 | K | 92.5 | Very high | 91.9 | Very high | 122 Ų | 122 | 43.8 Ų | 43.8 | 53% | 0.53 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 133.9 | 167.6 | 176.7 | 170.8 | -179.3 | 140.7 | 0 | 111.9 | T786 T787 E788 N789 | K721-T786 WeakPolarHBondContact CA-OG1 3.48Å; K721-T787 VanDerWaalsContact CD-O 3.25Å; K721-T787 WeakPolarHBondContact CD-O 3.24Å; K721-T787 WeakPolarHBondContact CE-O 3.25Å; K721-T787 PolarHBondContact NZ-O 2.79Å; K721-E788 WeakPolarHBondContact CA-O 3.43Å; K721-N789 PolarHBondContact N-OD1 3.47Å |
| 722 | G | 90.5 | Very high | 92.7 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -1.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P720 T786 P810 | P720-G722 PolarHBondContact O-N 2.92Å; G722-T786 WeakPolarHBondContact CA-O 3.32Å; G722-T786 PolarHBondContact N-O 3.34Å; G722-T786 PolarHBondContact N-OG1 3.01Å; G722-P810 WeakPolarHBondContact O-CD 3.22Å |
| 723 | S | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -65.1 | 142.9 | -178.8 | -62.2 | 0 | 0 | 0 | 0 | 112.5 | P720 P785 T786 N808 | P720-S723 VanDerWaalsContact O-CB 3.28Å; P720-S723 WeakPolarHBondContact O-CB 3.4Å; P720-S723 PolarHBondContact O-N 3.13Å; P720-S723 PolarHBondContact O-OG 2.93Å; S723-P785 WeakPolarHBondContact O-CA 3.36Å; S723-T786 PolarHBondContact N-OG1 2.74Å; S723-T786 PolarHBondContact O-N 3.07Å; S723-N808 WeakPolarHBondContact CA-O 3.12Å | ||
| 724 | V | 93.5 | Very high | 93.1 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 160.3 | -178.4 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | R688 I726 L783 P785 N808 | R688-V724 HydrophobicContact CB-CG1 4.37Å; R688-V724 HydrophobicContact CG-CB 3.92Å; R688-V724 HydrophobicContact CG-CG1 3.98Å; R688-V724 HydrophobicContact CG-CG2 4.27Å; V724-I726 PolarHBondContact O-N 3.04Å; V724-L783 CarbonylContact C-O 3.5Å; V724-L783 VanDerWaalsContact CA-O 3.28Å; V724-L783 WeakPolarHBondContact CA-O 3.29Å; V724-L783 WeakPolarHBondContact CB-O 3.48Å; V724-P785 HydrophobicContact CG1-CB 3.93Å; V724-N808 HydrophobicContact CG2-CB 4Å; V724-N808 PolarHBondContact N-O 2.86Å; V724-N808 PolarHBondContact O-N 3.07Å |
| 725 | H | 93 | Very high | 93.1 | Very high | 67 Ų | 67 | 47.6 Ų | 47.6 | 31% | 0.31 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.1 | 56 | -176.7 | -65 | -77.5 | 0 | 0 | 0 | 112.9 | R686 R688 L783 | R686-H725 PolarHBondContact O-CD2 3.39Å; R688-H725 WeakPolarHBondContact CG-NE2 3.44Å; H725-L783 PolarHBondContact N-O 3.31Å |
| 726 | I | 95.6 | Very high | 93 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 123 | 177 | -60.7 | 158.5 | 0 | 0 | 0 | 109 | I719 V724 I728 F768 E781 A782 T786 R806 F807 | I719-I726 HydrophobicContact CD1-CG2 3.69Å; I719-I726 HydrophobicContact CG2-CD1 3.85Å; I719-I726 HydrophobicContact CG2-CG1 4.18Å; V724-I726 PolarHBondContact O-N 3.04Å; I726-I728 HydrophobicContact CG2-CD1 4.15Å; I726-I728 HydrophobicContact CG2-CG1 4.21Å; I726-F768 HydrophobicContact CD1-CE1 4.41Å; I726-F768 HydrophobicContact CD1-CZ 4.08Å; I726-F768 HydrophobicContact CG2-CE1 4.26Å; I726-E781 CarbonylContact O-C 3.54Å; I726-E781 WeakPolarHBondContact O-CA 3.05Å; I726-A782 HydrophobicContact CB-CB 4.3Å; I726-A782 HydrophobicContact CD1-CB 4.39Å; I726-A782 PolarHBondContact N-O 3.38Å; I726-A782 PolarHBondContact O-N 3.35Å; I726-T786 HydrophobicContact CD1-CG2 3.7Å; I726-R806 CarbonylContact C-O 3.49Å; I726-R806 WeakPolarHBondContact CA-O 3.39Å; I726-F807 HydrophobicContact CB-CB 4.37Å; I726-F807 HydrophobicContact CG1-CB 3.81Å |
| 727 | E | 96.3 | Very high | 93 | Very high | 75 Ų | 75 | 45.9 Ų | 45.9 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 122.4 | 171.9 | -179.6 | 176.9 | -169.6 | 0 | 0 | 107.9 | Y805 R806 | E727-Y805 CarbonylContact O-C 3.59Å; E727-Y805 WeakPolarHBondContact O-CA 3.48Å; E727-R806 PolarHBondContact N-O 2.85Å; E727-R806 PolarHBondContact O-N 2.8Å |
| 728 | I | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.9 | 173.7 | -50.9 | 151.4 | 0 | 0 | 0 | 106.4 | I719 I726 I738 S779 L780 V792 I803 | I719-I728 HydrophobicContact CD1-CD1 4.07Å; I726-I728 HydrophobicContact CG2-CD1 4.15Å; I726-I728 HydrophobicContact CG2-CG1 4.21Å; I728-I738 HydrophobicContact CG2-CD1 4.13Å; I728-I738 HydrophobicContact CG2-CG2 4.18Å; I728-S779 CarbonylContact O-C 3.58Å; I728-S779 WeakPolarHBondContact O-CA 3.43Å; I728-L780 HydrophobicContact CB-CB 4.31Å; I728-L780 HydrophobicContact CD1-CB 4.28Å; I728-L780 HydrophobicContact CD1-CD2 3.87Å; I728-L780 HydrophobicContact CD1-CG 4.12Å; I728-L780 PolarHBondContact N-O 2.54Å; I728-L780 PolarHBondContact O-N 3.09Å; I728-V792 HydrophobicContact CD1-CB 4.45Å; I728-V792 HydrophobicContact CD1-CG1 4Å; I728-V792 HydrophobicContact CD1-CG2 3.52Å; I728-V792 HydrophobicContact CG1-CG1 4.5Å; I728-V792 HydrophobicContact CG1-CG2 4.24Å; I728-V792 HydrophobicContact CG2-CG1 3.91Å; I728-I803 HydrophobicContact CG2-CG2 3.75Å |
| 729 | R | 95.4 | Very high | 93 | Very high | 90 Ų | 90 | 39.4 Ų | 39.4 | 34% | 0.34 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 137.9 | -173.8 | -160.8 | 178.8 | -174.9 | 171.9 | 4 | 113.1 | E778 H804 | R729-E778 WeakPolarHBondContact CA-O 3.48Å; R729-H804 PolarHBondContact N-O 3.11Å; R729-H804 PolarHBondContact O-N 2.79Å |
| 730 | E | 93.7 | Very high | 93 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 139.6 | 165.6 | -73.3 | -169.1 | 129.4 | 0 | 0 | 111.3 | A732 S734 I738 P777 E778 | E730-A732 VanDerWaalsContact C-N 3.32Å; E730-S734 VanDerWaalsContact OE1-CB 3.31Å; E730-S734 WeakPolarHBondContact OE1-CB 3.31Å; E730-S734 PolarHBondContact OE1-OG 2.88Å; E730-S734 PolarHBondContact OE2-N 2.92Å; E730-I738 HydrophobicContact CG-CD1 4.39Å; E730-P777 HydrophobicContact CB-CB 3.65Å; E730-P777 WeakPolarHBondContact O-CB 3.49Å; E730-E778 HydrophobicContact CG-CB 4.04Å; E730-E778 PolarHBondContact N-O 3.24Å; E730-E778 PolarHBondContact OE2-N 3.04Å |
| 731 | V | 92.4 | Very high | 92.9 | Very high | 84 Ų | 84 | 38.3 Ų | 38.3 | 51% | 0.509 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -71.6 | -29 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | L703 G802 H804 | L703-V731 HydrophobicContact CD1-CG2 3.64Å; V731-G802 WeakPolarHBondContact CB-O 3.22Å; V731-G802 WeakPolarHBondContact CG2-O 3.37Å; V731-G802 PolarHBondContact N-O 3.09Å; V731-H804 HydrophobicContact CG2-CB 4.38Å |
| 732 | A | 89.8 | Confident | 92.9 | Very high | 40 Ų | 40 | 32.9 Ų | 32.9 | 33% | 0.331 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -148.7 | 149.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E730 S734 L801 | E730-A732 VanDerWaalsContact C-N 3.32Å; A732-S734 PolarHBondContact O-N 3.27Å; A732-L801 HydrophobicContact CB-CB 4.27Å; A732-L801 HydrophobicContact CB-CD1 3.97Å |
| 733 | V | 90.1 | Very high | 92.7 | Very high | 74 Ų | 74 | 38.7 Ų | 38.7 | 45% | 0.448 | 19% | 0.192 | S | C | . | . | trans | -54.8 | 121.6 | 179.8 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | P777 | V733-P777 HydrophobicContact CG2-CG 4.21Š| ||
| 734 | S | 90.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | trans | -133.1 | 175.8 | 177.9 | 100.9 | 0 | 0 | 0 | 0 | 114.1 | E730 A732 N736 R772 | E730-S734 VanDerWaalsContact OE1-CB 3.31Å; E730-S734 WeakPolarHBondContact OE1-CB 3.31Å; E730-S734 PolarHBondContact OE1-OG 2.88Å; E730-S734 PolarHBondContact OE2-N 2.92Å; A732-S734 PolarHBondContact O-N 3.27Å; S734-N736 VanDerWaalsContact OG-CB 3.25Å; S734-N736 WeakPolarHBondContact OG-CB 3.42Å; S734-N736 PolarHBondContact OG-N 3.26Å; S734-N736 PolarHBondContact OG-ND2 3.25Å; S734-R772 PolarHBondContact O-NH2 3.44Å | ||
| 735 | K | 88.8 | Confident | 91.9 | Very high | 126 Ų | 126 | 52 Ų | 52 | 55% | 0.548 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -88.8 | -1.2 | 170.1 | -61.9 | 178.7 | -156.6 | 66.5 | 0 | 113.7 | Y737 Q797 E798 | K735-Y737 WeakPolarHBondContact O-CD2 3.06Å; K735-Y737 WeakPolarHBondContact O-CE2 2.98Å; K735-Q797 HydrophobicContact CB-CB 4.12Å; K735-Q797 WeakPolarHBondContact O-CB 3.06Å; K735-Q797 WeakPolarHBondContact O-CG 3.49Å; K735-E798 HydrophobicContact CB-CG 4.17Å; K735-E798 WeakPolarHBondContact CB-OE1 3.04Å; K735-E798 WeakPolarHBondContact CG-OE1 3.33Å; K735-E798 PolarHBondContact N-OE1 3.06Å; K735-E798 VanDerWaalsContact NZ-CD 3.33Å; K735-E798 IonicContact NZ-OE1 3.77Å; K735-E798 PolarHBondContact NZ-OE1 3.11Å; K735-E798 IonicContact NZ-OE2 3.41Å; K735-E798 PolarHBondContact NZ-OE2 3.33Å |
| 736 | N | 90.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.011 | 27% | 0.271 | C | S | . | . | trans | -72 | 168.8 | 172.6 | -51.6 | -44 | 0 | 0 | 0 | 109.8 | S734 R772 V794 L795 L796 Q797 E798 E799 | S734-N736 VanDerWaalsContact OG-CB 3.25Å; S734-N736 WeakPolarHBondContact OG-CB 3.42Å; S734-N736 PolarHBondContact OG-N 3.26Å; S734-N736 PolarHBondContact OG-ND2 3.25Å; N736-R772 PolarHBondContact O-NH2 3.44Å; N736-V794 HydrophobicContact CB-CG2 3.96Å; N736-L795 VanDerWaalsContact CA-O 3.3Å; N736-L795 WeakPolarHBondContact CA-O 3.29Å; N736-L795 WeakPolarHBondContact CB-O 3.49Å; N736-L796 WeakPolarHBondContact OD1-CA 3.32Å; N736-Q797 PolarHBondContact OD1-N 2.83Å; N736-E798 PolarHBondContact OD1-N 3.4Å; N736-E799 PolarHBondContact ND2-O 3.38Å | ||
| 737 | Y | 92.1 | Very high | 91.5 | Very high | 54 Ų | 54 | 57.4 Ų | 57.4 | 21% | 0.212 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 132.8 | 177.2 | -61.1 | -92 | 0 | 0 | 0 | 110.2 | K735 I755 V794 L795 Q797 | K735-Y737 WeakPolarHBondContact O-CD2 3.06Å; K735-Y737 WeakPolarHBondContact O-CE2 2.98Å; Y737-I755 HydrophobicContact CD1-CD1 3.81Å; Y737-I755 HydrophobicContact CD1-CG1 4.32Å; Y737-I755 HydrophobicContact CD1-CG2 3.81Å; Y737-I755 HydrophobicContact CD2-CD1 3.71Å; Y737-I755 HydrophobicContact CD2-CG1 4.47Å; Y737-I755 HydrophobicContact CE1-CD1 4.11Å; Y737-I755 HydrophobicContact CE1-CG1 4.15Å; Y737-I755 HydrophobicContact CE1-CG2 3.59Å; Y737-I755 HydrophobicContact CE2-CD1 4.04Å; Y737-I755 HydrophobicContact CE2-CG1 4.32Å; Y737-I755 HydrophobicContact CG-CD1 3.59Å; Y737-I755 HydrophobicContact CG-CG1 4.48Å; Y737-V794 CarbonylContact O-C 3.57Å; Y737-V794 WeakPolarHBondContact O-CA 3.31Å; Y737-L795 HydrophobicContact CD2-CD2 4.44Å; Y737-L795 PolarHBondContact N-O 3.22Å; Y737-L795 PolarHBondContact O-N 3.12Å; Y737-Q797 HydrophobicContact CD2-CG 4.36Å; Y737-Q797 HydrophobicContact CE2-CG 4.22Å |
| 738 | I | 94.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 129.7 | 170.1 | -58.5 | 168.1 | 0 | 0 | 0 | 107.3 | I728 E730 N750 E778 L780 V792 M793 I803 | I728-I738 HydrophobicContact CG2-CD1 4.13Å; I728-I738 HydrophobicContact CG2-CG2 4.18Å; E730-I738 HydrophobicContact CG-CD1 4.39Å; I738-N750 PolarHBondContact O-ND2 2.98Å; I738-E778 WeakPolarHBondContact CB-OE1 3.08Å; I738-E778 HydrophobicContact CD1-CB 4.29Å; I738-E778 HydrophobicContact CD1-CG 4.23Å; I738-E778 PolarHBondContact N-OE1 3.36Å; I738-L780 HydrophobicContact CG2-CD2 4.01Å; I738-V792 HydrophobicContact CG2-CG1 4.11Å; I738-M793 WeakPolarHBondContact CA-O 3.44Å; I738-I803 HydrophobicContact CG1-CD1 4.38Å |
| 739 | A | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | Y713 Y747 I749 N750 M793 | Y713-A739 HydrophobicContact CD1-CB 4.15Å; Y713-A739 HydrophobicContact CE1-CB 3.89Å; A739-Y747 HydrophobicContact CB-CD1 4.19Å; A739-Y747 HydrophobicContact CB-CE1 4.22Å; A739-I749 VanDerWaalsContact CA-O 3.32Å; A739-I749 WeakPolarHBondContact CA-O 3.43Å; A739-I749 VanDerWaalsContact CB-O 3.29Å; A739-I749 WeakPolarHBondContact CB-O 3.47Å; A739-N750 HydrophobicContact CB-CB 3.9Å; A739-M793 HydrophobicContact CB-CB 4.09Å; A739-M793 PolarHBondContact N-O 3.3Å; A739-M793 PolarHBondContact O-N 2.84Å |
| 740 | L | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.6 | -177.7 | -168 | 66.2 | 0 | 0 | 0 | 109.7 | Y748 I749 I763 F768 L780 L790 V792 | L740-Y748 PolarHBondContact O-N 3.05Å; L740-I749 HydrophobicContact CB-CB 4.14Å; L740-I749 HydrophobicContact CB-CD1 4.22Å; L740-I749 HydrophobicContact CB-CG1 4.23Å; L740-I749 HydrophobicContact CD2-CD1 4.2Å; L740-I749 PolarHBondContact N-O 3.46Å; L740-I749 PolarHBondContact O-N 2.97Å; L740-I763 HydrophobicContact CD2-CD1 4.06Å; L740-I763 HydrophobicContact CD2-CG2 4.35Å; L740-F768 HydrophobicContact CD2-CD1 3.8Å; L740-F768 HydrophobicContact CD2-CD2 4.2Å; L740-F768 HydrophobicContact CD2-CE1 3.74Å; L740-F768 HydrophobicContact CD2-CE2 4.14Å; L740-F768 HydrophobicContact CD2-CG 4.03Å; L740-F768 HydrophobicContact CD2-CZ 3.91Å; L740-L780 HydrophobicContact CB-CD2 4.2Å; L740-L780 HydrophobicContact CD1-CD2 4.46Å; L740-L780 HydrophobicContact CD2-CD2 4.36Å; L740-L790 HydrophobicContact CD1-CB 4.09Å; L740-L790 HydrophobicContact CD1-CD1 4.41Å; L740-L790 HydrophobicContact CD2-CD1 4.32Å; L740-V792 HydrophobicContact CD1-CG2 4.34Å |
| 741 | K | 93.1 | Very high | 90.6 | Very high | 21 Ų | 21 | 53 Ų | 53 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146 | -165.4 | -173.3 | -169.6 | 164.7 | -169 | 0 | 111 | D745 D746 Y747 L790 S791 M793 | K741-D745 VanDerWaalsContact CE-CA 3.45Å; K741-D745 WeakPolarHBondContact CE-O 3.24Å; K741-D745 WeakPolarHBondContact CE-OD1 3.35Å; K741-D745 WeakPolarHBondContact CE-OD2 3.31Å; K741-D745 IonicContact NZ-OD1 2.8Å; K741-D745 PolarHBondContact NZ-OD1 3.21Å; K741-D745 IonicContact NZ-OD2 3.16Å; K741-D745 PolarHBondContact NZ-OD2 3.42Å; K741-D746 CarbonylContact C-O 3.51Å; K741-D746 VanDerWaalsContact CA-O 3.31Å; K741-D746 WeakPolarHBondContact CA-O 3.37Å; K741-D746 WeakPolarHBondContact CG-O 3.49Å; K741-Y747 HydrophobicContact CB-CD1 4.23Å; K741-Y747 HydrophobicContact CB-CE1 4.34Å; K741-Y747 HydrophobicContact CD-CE1 4.31Å; K741-Y747 HydrophobicContact CD-CE2 4.02Å; K741-Y747 HydrophobicContact CG-CD1 4.41Å; K741-Y747 HydrophobicContact CG-CD2 4.23Å; K741-Y747 HydrophobicContact CG-CE1 4.4Å; K741-Y747 HydrophobicContact CG-CE2 4.21Å; K741-Y747 HydrophobicContact CG-CG 4.33Å; K741-L790 CarbonylContact O-C 3.53Å; K741-L790 WeakPolarHBondContact O-CA 3.42Å; K741-S791 PolarHBondContact N-O 2.75Å; K741-S791 PolarHBondContact O-N 3.36Å; K741-M793 HydrophobicContact CB-CG 3.99Å; K741-M793 HydrophobicContact CD-CG 4.09Å; K741-M793 HydrophobicContact CD-SD 4.19Å |
| 742 | S | 91.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 168.3 | 175.8 | 80.3 | 0 | 0 | 0 | 0 | 112.4 | E744 D745 D746 Y748 | S742-E744 PolarHBondContact O-N 2.9Å; S742-E744 PolarHBondContact OG-N 2.04Å; S742-E744 VanDerWaalsContact OG-N 3.08Å; S742-D745 PolarHBondContact O-N 3.45Å; S742-D745 PolarHBondContact OG-N 2.82Å; S742-D746 PolarHBondContact N-O 3.11Å; S742-D746 PolarHBondContact OG-N 3.44Å; S742-Y748 VanDerWaalsContact CB-OH 3.29Å; S742-Y748 WeakPolarHBondContact CB-OH 3.5Å |
| 743 | E | 86.6 | Confident | 89.6 | Confident | 141 Ų | 141 | 58.8 Ų | 58.8 | 66% | 0.659 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -17.5 | 168.9 | -166.9 | 171.6 | 177.5 | 0 | 0 | 112.8 | D745 N789 | E743-D745 VanDerWaalsContact C-N 3.3Å; E743-N789 WeakPolarHBondContact OE2-CB 3.23Å; E743-N789 PolarHBondContact OE2-ND2 3.21Å |
| 744 | E | 85.9 | Confident | 89.4 | Confident | 176 Ų | 176 | 59.4 Ų | 59.4 | 82% | 0.822 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 16.3 | 175.6 | -59.2 | -165.9 | 163.7 | 0 | 0 | 113.2 | S742 D746 | S742-E744 PolarHBondContact O-N 2.9Å; S742-E744 PolarHBondContact OG-N 2.04Å; S742-E744 VanDerWaalsContact OG-N 3.08Å; E744-D746 VanDerWaalsContact C-N 3.28Å; E744-D746 PolarHBondContact O-N 3.01Å |
| 745 | D | 83.8 | Confident | 89.2 | Confident | 109 Ų | 109 | 62.5 Ų | 62.5 | 58% | 0.583 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 71.6 | -1.8 | 179.6 | -112.4 | 58 | 0 | 0 | 0 | 117.8 | K741 S742 E743 | K741-D745 VanDerWaalsContact CE-CA 3.45Å; K741-D745 WeakPolarHBondContact CE-O 3.24Å; K741-D745 WeakPolarHBondContact CE-OD1 3.35Å; K741-D745 WeakPolarHBondContact CE-OD2 3.31Å; K741-D745 IonicContact NZ-OD1 2.8Å; K741-D745 PolarHBondContact NZ-OD1 3.21Å; K741-D745 IonicContact NZ-OD2 3.16Å; K741-D745 PolarHBondContact NZ-OD2 3.42Å; S742-D745 PolarHBondContact O-N 3.45Å; S742-D745 PolarHBondContact OG-N 2.82Å; E743-D745 VanDerWaalsContact C-N 3.3Å |
| 746 | D | 89.2 | Confident | 89.2 | Confident | 113 Ų | 113 | 58.6 Ų | 58.6 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | trans | -72.8 | 144.2 | 175.4 | -89.4 | -33.9 | 0 | 0 | 0 | 113.1 | K741 S742 E744 | K741-D746 CarbonylContact C-O 3.51Å; K741-D746 VanDerWaalsContact CA-O 3.31Å; K741-D746 WeakPolarHBondContact CA-O 3.37Å; K741-D746 WeakPolarHBondContact CG-O 3.49Å; S742-D746 PolarHBondContact N-O 3.11Å; S742-D746 PolarHBondContact OG-N 3.44Å; E744-D746 VanDerWaalsContact C-N 3.28Å; E744-D746 PolarHBondContact O-N 3.01Å | ||
| 747 | Y | 91.3 | Very high | 89 | Confident | 73 Ų | 73 | 68.9 Ų | 68.9 | 29% | 0.286 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.6 | 177.9 | -75.1 | -104.2 | 0 | 0 | 0 | 111.9 | Y713 A739 K741 G751 M793 | Y713-Y747 AromaticContact CD1-CE1 3.76Å; Y713-Y747 HydrophobicContact CD1-CE1 3.76Å; Y713-Y747 AromaticContact CE1-CE1 3.85Å; Y713-Y747 HydrophobicContact CE1-CE1 3.85Å; Y713-Y747 HydrophobicContact CG-CE1 4.3Å; A739-Y747 HydrophobicContact CB-CD1 4.19Å; A739-Y747 HydrophobicContact CB-CE1 4.22Å; K741-Y747 HydrophobicContact CB-CD1 4.23Å; K741-Y747 HydrophobicContact CB-CE1 4.34Å; K741-Y747 HydrophobicContact CD-CE1 4.31Å; K741-Y747 HydrophobicContact CD-CE2 4.02Å; K741-Y747 HydrophobicContact CG-CD1 4.41Å; K741-Y747 HydrophobicContact CG-CD2 4.23Å; K741-Y747 HydrophobicContact CG-CE1 4.4Å; K741-Y747 HydrophobicContact CG-CE2 4.21Å; K741-Y747 HydrophobicContact CG-CG 4.33Å; Y747-G751 VanDerWaalsContact CB-CA 3.43Å; Y747-M793 HydrophobicContact CE1-CG 4.24Å |
| 748 | Y | 92.1 | Very high | 88.8 | Confident | 74 Ų | 74 | 69.4 Ų | 69.4 | 29% | 0.29 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -26.9 | 176.2 | -55.4 | -77.8 | 0 | 0 | 0 | 114.1 | L740 S742 I763 E788 L790 | L740-Y748 PolarHBondContact O-N 3.05Å; S742-Y748 VanDerWaalsContact CB-OH 3.29Å; S742-Y748 WeakPolarHBondContact CB-OH 3.5Å; Y748-I763 HydrophobicContact CD1-CG1 4.28Å; Y748-I763 HydrophobicContact CD1-CG2 3.89Å; Y748-I763 HydrophobicContact CD2-CG2 3.61Å; Y748-I763 HydrophobicContact CE1-CG2 4.1Å; Y748-I763 HydrophobicContact CE2-CG2 3.84Å; Y748-I763 HydrophobicContact CG-CD1 4.2Å; Y748-I763 HydrophobicContact CG-CG1 4.17Å; Y748-I763 HydrophobicContact CG-CG2 3.63Å; Y748-E788 PolarHBondContact OH-OE1 3Å; Y748-L790 HydrophobicContact CD2-CD2 4.13Å; Y748-L790 HydrophobicContact CE2-CD2 3.56Å |
| 749 | I | 93 | Very high | 88.4 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 133.6 | -177.8 | -55.3 | 179.1 | 0 | 0 | 0 | 109 | A739 L740 G751 F761 I763 F768 Y770 L780 | A739-I749 VanDerWaalsContact CA-O 3.32Å; A739-I749 WeakPolarHBondContact CA-O 3.43Å; A739-I749 VanDerWaalsContact CB-O 3.29Å; A739-I749 WeakPolarHBondContact CB-O 3.47Å; L740-I749 HydrophobicContact CB-CB 4.14Å; L740-I749 HydrophobicContact CB-CD1 4.22Å; L740-I749 HydrophobicContact CB-CG1 4.23Å; L740-I749 HydrophobicContact CD2-CD1 4.2Å; L740-I749 PolarHBondContact N-O 3.46Å; L740-I749 PolarHBondContact O-N 2.97Å; I749-G751 VanDerWaalsContact C-N 3.29Å; I749-G751 PolarHBondContact O-N 2.96Å; I749-F761 HydrophobicContact CD1-CB 4.43Å; I749-F761 HydrophobicContact CD1-CD1 4.35Å; I749-F761 HydrophobicContact CD1-CD2 4.07Å; I749-F761 HydrophobicContact CD1-CE2 4.4Å; I749-F761 HydrophobicContact CD1-CG 4.08Å; I749-F761 HydrophobicContact CG1-CD1 3.82Å; I749-F761 HydrophobicContact CG1-CD2 4.33Å; I749-F761 HydrophobicContact CG1-CE1 3.89Å; I749-F761 HydrophobicContact CG1-CE2 4.43Å; I749-F761 HydrophobicContact CG1-CG 4.07Å; I749-F761 HydrophobicContact CG1-CZ 4.23Å; I749-F761 HydrophobicContact CG2-CZ 4.39Å; I749-I763 HydrophobicContact CD1-CD1 3.78Å; I749-I763 HydrophobicContact CG1-CD1 3.78Å; I749-F768 HydrophobicContact CD1-CB 4.42Å; I749-Y770 HydrophobicContact CG2-CD1 4.11Å; I749-Y770 HydrophobicContact CG2-CE1 4.36Å; I749-Y770 HydrophobicContact CG2-CG 4.2Å; I749-L780 HydrophobicContact CD1-CD1 3.68Å; I749-L780 HydrophobicContact CD1-CD2 4.38Å |
| 750 | N | 90.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 54.7 | 39.7 | 174.9 | -70.5 | -28.3 | 0 | 0 | 0 | 113.4 | Y713 I738 A739 T754 I755 D756 Y770 | Y713-N750 VanDerWaalsContact CE1-O 3.29Å; Y713-N750 WeakPolarHBondContact CE1-O 3.44Å; Y713-N750 PolarHBondContact OH-O 2.89Å; I738-N750 PolarHBondContact O-ND2 2.98Å; A739-N750 HydrophobicContact CB-CB 3.9Å; N750-T754 CarbonylContact C-O 3.58Å; N750-T754 VanDerWaalsContact C-O 3.24Å; N750-T754 WeakPolarHBondContact CA-O 3.5Å; N750-I755 HydrophobicContact CB-CD1 4.48Å; N750-I755 WeakPolarHBondContact OD1-CA 3.38Å; N750-D756 PolarHBondContact N-OD2 3.15Å; N750-D756 PolarHBondContact OD1-N 3.08Å; N750-Y770 VanDerWaalsContact ND2-CZ 3.29Å; N750-Y770 PolarHBondContact ND2-OH 3.06Å |
| 751 | G | 87 | Confident | 87.5 | Confident | 8 Ų | 8 | 79.2 Ų | 79.2 | 8% | 0.082 | 38% | 0.379 | C | S | . | . | trans | -90.9 | 166.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y747 I749 W753 T754 | Y747-G751 VanDerWaalsContact CB-CA 3.43Å; I749-G751 VanDerWaalsContact C-N 3.29Å; I749-G751 PolarHBondContact O-N 2.96Å; G751-W753 PolarHBondContact O-N 2.99Å; G751-T754 WeakPolarHBondContact O-CA 3.33Å; G751-T754 PolarHBondContact O-N 2.96Å; G751-T754 PolarHBondContact O-OG1 3.47Å | ||
| 752 | A | 81.9 | Confident | 87.2 | Confident | 77 Ų | 77 | 84.7 Ų | 84.7 | 64% | 0.636 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 32.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116 | T754 | A752-T754 PolarHBondContact O-N 3.04Š|
| 753 | W | 80.3 | Confident | 87.1 | Confident | 170 Ų | 170 | 84.7 Ų | 84.7 | 64% | 0.644 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 16.2 | -174.5 | -46.4 | 93.3 | 0 | 0 | 0 | 114.9 | G711 Y713 G751 L795 | G711-W753 WeakPolarHBondContact O-CH2 2.98Å; Y713-W753 HydrophobicContact CE2-CD2 4.39Å; Y713-W753 PolarHBondContact OH-N 2.99Å; Y713-W753 VanDerWaalsContact OH-N 3.14Å; G751-W753 PolarHBondContact O-N 2.99Å; W753-L795 HydrophobicContact CE3-CD1 4.22Å; W753-L795 HydrophobicContact CZ3-CD1 3.83Å |
| 754 | T | 84.8 | Confident | 87.2 | Confident | 86 Ų | 86 | 78.2 Ų | 78.2 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | trans | -104.8 | 144.8 | 170.5 | 64.9 | 0 | 0 | 0 | 0 | 110 | N750 G751 A752 | N750-T754 CarbonylContact C-O 3.58Å; N750-T754 VanDerWaalsContact C-O 3.24Å; N750-T754 WeakPolarHBondContact CA-O 3.5Å; G751-T754 WeakPolarHBondContact O-CA 3.33Å; G751-T754 PolarHBondContact O-N 2.96Å; G751-T754 PolarHBondContact O-OG1 3.47Å; A752-T754 PolarHBondContact O-N 3.04Å | ||
| 755 | I | 87.6 | Confident | 87 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | trans | -110.6 | 127.4 | 178.3 | -57.7 | -55.2 | 0 | 0 | 0 | 108.2 | Y737 N750 L795 | Y737-I755 HydrophobicContact CD1-CD1 3.81Å; Y737-I755 HydrophobicContact CD1-CG1 4.32Å; Y737-I755 HydrophobicContact CD1-CG2 3.81Å; Y737-I755 HydrophobicContact CD2-CD1 3.71Å; Y737-I755 HydrophobicContact CD2-CG1 4.47Å; Y737-I755 HydrophobicContact CE1-CD1 4.11Å; Y737-I755 HydrophobicContact CE1-CG1 4.15Å; Y737-I755 HydrophobicContact CE1-CG2 3.59Å; Y737-I755 HydrophobicContact CE2-CD1 4.04Å; Y737-I755 HydrophobicContact CE2-CG1 4.32Å; Y737-I755 HydrophobicContact CG-CD1 3.59Å; Y737-I755 HydrophobicContact CG-CG1 4.48Å; N750-I755 HydrophobicContact CB-CD1 4.48Å; N750-I755 WeakPolarHBondContact OD1-CA 3.38Å; I755-L795 HydrophobicContact CD1-CD2 4.27Å | ||
| 756 | D | 88.8 | Confident | 87.2 | Confident | 44 Ų | 44 | 68.8 Ų | 68.8 | 24% | 0.235 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 154.3 | 176.8 | -86.8 | -79.2 | 0 | 0 | 0 | 112.1 | N750 F761 Y770 | N750-D756 PolarHBondContact N-OD2 3.15Å; N750-D756 PolarHBondContact OD1-N 3.08Å; D756-F761 HydrophobicContact CB-CE1 4.45Å; D756-F761 HydrophobicContact CB-CZ 3.82Å; D756-Y770 HydrophobicContact CB-CE1 4.15Å |
| 757 | W | 85.1 | Confident | 87.2 | Confident | 219 Ų | 219 | 64.2 Ų | 64.2 | 83% | 0.83 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 137.4 | 169.1 | -66.4 | 96.1 | 0 | 0 | 0 | 110.6 | R759 | W757-R759 WeakPolarHBondContact O-CG 3.28Å; W757-R759 PolarHBondContact O-N 3.16Å |
| 758 | P | 88.2 | Confident | 87.3 | Confident | 64 Ų | 64 | 60.7 Ų | 60.7 | 42% | 0.416 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -53.7 | 118.6 | 176.9 | -30.1 | 37.7 | 0 | 0 | 0 | 113 | Y770 R772 | P758-Y770 CarbonylContact C-O 3.59Å; P758-Y770 WeakPolarHBondContact CA-O 3.48Å; P758-Y770 HydrophobicContact CG-CE1 4.39Å; P758-R772 HydrophobicContact CG-CB 3.74Å |
| 759 | R | 85.1 | Confident | 87.3 | Confident | 133 Ų | 133 | 60.2 Ų | 60.2 | 50% | 0.502 | 32% | 0.316 | S | S | . | . | trans | -163.1 | -178.9 | -177.3 | 67.8 | 178.6 | 176.5 | 90.8 | -7.6 | 111.4 | W757 F761 Y770 | W757-R759 WeakPolarHBondContact O-CG 3.28Å; W757-R759 PolarHBondContact O-N 3.16Å; R759-F761 HydrophobicContact CB-CE2 4.43Å; R759-F761 HydrophobicContact CG-CD2 3.79Å; R759-F761 HydrophobicContact CG-CE2 3.25Å; R759-F761 HydrophobicContact CG-CZ 3.72Å; R759-F761 WeakPolarHBondContact O-CD2 3.28Å; R759-Y770 PolarHBondContact N-O 3.42Å; R759-Y770 PolarHBondContact O-N 2.53Å | ||
| 760 | K | 83.4 | Confident | 87.4 | Confident | 67 Ų | 67 | 60.5 Ų | 60.5 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 140.4 | 166.6 | -162.8 | 176.1 | -176.1 | -179.9 | 0 | 110.4 | D659 A767 F768 | D659-K760 IonicContact OD1-NZ 3.54Å; D659-K760 PolarHBondContact OD1-NZ 3.28Å; D659-K760 IonicContact OD2-NZ 4Å; D659-K760 PolarHBondContact OD2-NZ 3.35Å; K760-A767 HydrophobicContact CD-CB 4.32Å; K760-A767 HydrophobicContact CG-CB 4.21Å; K760-F768 CarbonylContact C-O 3.51Å; K760-F768 WeakPolarHBondContact CA-O 3.12Å |
| 761 | F | 88.4 | Confident | 87.5 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 4% | 0.035 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 131.3 | 175.2 | -63.2 | -115.7 | 0 | 0 | 0 | 108.8 | I749 D756 R759 I763 A767 F768 Y770 | I749-F761 HydrophobicContact CD1-CB 4.43Å; I749-F761 HydrophobicContact CD1-CD1 4.35Å; I749-F761 HydrophobicContact CD1-CD2 4.07Å; I749-F761 HydrophobicContact CD1-CE2 4.4Å; I749-F761 HydrophobicContact CD1-CG 4.08Å; I749-F761 HydrophobicContact CG1-CD1 3.82Å; I749-F761 HydrophobicContact CG1-CD2 4.33Å; I749-F761 HydrophobicContact CG1-CE1 3.89Å; I749-F761 HydrophobicContact CG1-CE2 4.43Å; I749-F761 HydrophobicContact CG1-CG 4.07Å; I749-F761 HydrophobicContact CG1-CZ 4.23Å; I749-F761 HydrophobicContact CG2-CZ 4.39Å; D756-F761 HydrophobicContact CB-CE1 4.45Å; D756-F761 HydrophobicContact CB-CZ 3.82Å; R759-F761 HydrophobicContact CB-CE2 4.43Å; R759-F761 HydrophobicContact CG-CD2 3.79Å; R759-F761 HydrophobicContact CG-CE2 3.25Å; R759-F761 HydrophobicContact CG-CZ 3.72Å; R759-F761 WeakPolarHBondContact O-CD2 3.28Å; F761-I763 HydrophobicContact CB-CD1 3.48Å; F761-I763 VanDerWaalsContact CB-CD1 3.48Å; F761-I763 HydrophobicContact CB-CG1 3.92Å; F761-I763 HydrophobicContact CD1-CD1 4.33Å; F761-I763 HydrophobicContact CG-CD1 4.2Å; F761-A767 WeakPolarHBondContact O-CA 3.48Å; F761-F768 PolarHBondContact N-O 3.04Å; F761-F768 PolarHBondContact O-N 2.85Å; F761-Y770 AromaticContact CE2-CD1 3.94Å; F761-Y770 HydrophobicContact CE2-CD1 3.94Å; F761-Y770 HydrophobicContact CE2-CG 4.39Å; F761-Y770 HydrophobicContact CZ-CD1 4.35Å |
| 762 | D | 86.1 | Confident | 87.7 | Confident | 135 Ų | 135 | 69.3 Ų | 69.3 | 72% | 0.722 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 107.9 | 175.2 | -52.8 | -62.7 | 0 | 0 | 0 | 108.2 | T766 | D762-T766 WeakPolarHBondContact CA-O 3.38Å |
| 763 | I | 90.3 | Very high | 87.9 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 140.7 | -168.4 | -60.1 | 161.9 | 0 | 0 | 0 | 108 | L740 Y748 I749 F761 G765 T766 F768 L790 | L740-I763 HydrophobicContact CD2-CD1 4.06Å; L740-I763 HydrophobicContact CD2-CG2 4.35Å; Y748-I763 HydrophobicContact CD1-CG1 4.28Å; Y748-I763 HydrophobicContact CD1-CG2 3.89Å; Y748-I763 HydrophobicContact CD2-CG2 3.61Å; Y748-I763 HydrophobicContact CE1-CG2 4.1Å; Y748-I763 HydrophobicContact CE2-CG2 3.84Å; Y748-I763 HydrophobicContact CG-CD1 4.2Å; Y748-I763 HydrophobicContact CG-CG1 4.17Å; Y748-I763 HydrophobicContact CG-CG2 3.63Å; I749-I763 HydrophobicContact CD1-CD1 3.78Å; I749-I763 HydrophobicContact CG1-CD1 3.78Å; F761-I763 HydrophobicContact CB-CD1 3.48Å; F761-I763 VanDerWaalsContact CB-CD1 3.48Å; F761-I763 HydrophobicContact CB-CG1 3.92Å; F761-I763 HydrophobicContact CD1-CD1 4.33Å; F761-I763 HydrophobicContact CG-CD1 4.2Å; I763-G765 PolarHBondContact O-N 3.04Å; I763-G765 VanDerWaalsContact O-N 3.13Å; I763-T766 PolarHBondContact N-O 3.38Å; I763-T766 CarbonylContact O-C 3.54Å; I763-T766 PolarHBondContact O-N 3.26Å; I763-F768 HydrophobicContact CB-CD2 3.87Å; I763-F768 HydrophobicContact CB-CE2 4.2Å; I763-F768 HydrophobicContact CD1-CB 4.45Å; I763-F768 HydrophobicContact CD1-CD2 4.37Å; I763-F768 HydrophobicContact CG2-CE2 4.43Å; I763-L790 HydrophobicContact CG2-CD2 4.25Å |
| 764 | A | 88.6 | Confident | 88 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 3% | 0.033 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 39 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T766 T786 T787 E788 L790 | A764-T766 PolarHBondContact O-N 3.49Å; A764-T766 VanDerWaalsContact O-N 3.11Å; A764-T786 HydrophobicContact CB-CG2 4.21Å; A764-T786 CarbonylContact O-C 3.51Å; A764-T786 WeakPolarHBondContact O-CA 3.44Å; A764-T787 VanDerWaalsContact CA-OG1 3.29Å; A764-T787 WeakPolarHBondContact CA-OG1 3.5Å; A764-T787 PolarHBondContact O-N 2.81Å; A764-T787 PolarHBondContact O-OG1 2.86Å; A764-E788 WeakPolarHBondContact CA-OE1 3.47Å; A764-E788 HydrophobicContact CB-CG 3.75Å; A764-E788 WeakPolarHBondContact CB-OE1 3.26Å; A764-E788 PolarHBondContact N-OE1 3.28Å; A764-L790 HydrophobicContact CB-CD1 3.84Å; A764-L790 HydrophobicContact CB-CD2 4.29Å; A764-L790 HydrophobicContact CB-CG 4.28Å |
| 765 | G | 82.4 | Confident | 88.2 | Confident | 70 Ų | 70 | 68 Ų | 68 | 72% | 0.722 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 8.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | I763 T787 | I763-G765 PolarHBondContact O-N 3.04Å; I763-G765 VanDerWaalsContact O-N 3.13Å; G765-T787 PolarHBondContact N-OG1 3.36Å |
| 766 | T | 88.4 | Confident | 88.3 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 170.5 | 175.5 | -160 | 0 | 0 | 0 | 0 | 111.2 | D762 I763 A764 F768 A782 G784 T786 | D762-T766 WeakPolarHBondContact CA-O 3.38Å; I763-T766 PolarHBondContact N-O 3.38Å; I763-T766 CarbonylContact O-C 3.54Å; I763-T766 PolarHBondContact O-N 3.26Å; A764-T766 PolarHBondContact O-N 3.49Å; A764-T766 VanDerWaalsContact O-N 3.11Å; T766-F768 HydrophobicContact CG2-CD2 3.98Å; T766-F768 HydrophobicContact CG2-CE2 3.51Å; T766-F768 HydrophobicContact CG2-CZ 4.26Å; T766-A782 HydrophobicContact CG2-CB 4.07Å; T766-G784 VanDerWaalsContact OG1-CA 3.27Å; T766-G784 WeakPolarHBondContact OG1-CA 3.08Å; T766-G784 PolarHBondContact OG1-N 3.39Å; T766-T786 HydrophobicContact CG2-CG2 4.23Å |
| 767 | A | 88.8 | Confident | 88.5 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 13% | 0.132 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K760 F761 A782 | K760-A767 HydrophobicContact CD-CB 4.32Å; K760-A767 HydrophobicContact CG-CB 4.21Å; F761-A767 WeakPolarHBondContact O-CA 3.48Å; A767-A782 WeakPolarHBondContact O-CA 3.06Å; A767-A782 WeakPolarHBondContact O-CB 3.36Å |
| 768 | F | 93 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.4 | 172.2 | -76.3 | -96.1 | 0 | 0 | 0 | 110.6 | I726 L740 I749 K760 F761 I763 T766 L780 E781 A782 T786 L790 | I726-F768 HydrophobicContact CD1-CE1 4.41Å; I726-F768 HydrophobicContact CD1-CZ 4.08Å; I726-F768 HydrophobicContact CG2-CE1 4.26Å; L740-F768 HydrophobicContact CD2-CD1 3.8Å; L740-F768 HydrophobicContact CD2-CD2 4.2Å; L740-F768 HydrophobicContact CD2-CE1 3.74Å; L740-F768 HydrophobicContact CD2-CE2 4.14Å; L740-F768 HydrophobicContact CD2-CG 4.03Å; L740-F768 HydrophobicContact CD2-CZ 3.91Å; I749-F768 HydrophobicContact CD1-CB 4.42Å; K760-F768 CarbonylContact C-O 3.51Å; K760-F768 WeakPolarHBondContact CA-O 3.12Å; F761-F768 PolarHBondContact N-O 3.04Å; F761-F768 PolarHBondContact O-N 2.85Å; I763-F768 HydrophobicContact CB-CD2 3.87Å; I763-F768 HydrophobicContact CB-CE2 4.2Å; I763-F768 HydrophobicContact CD1-CB 4.45Å; I763-F768 HydrophobicContact CD1-CD2 4.37Å; I763-F768 HydrophobicContact CG2-CE2 4.43Å; T766-F768 HydrophobicContact CG2-CD2 3.98Å; T766-F768 HydrophobicContact CG2-CE2 3.51Å; T766-F768 HydrophobicContact CG2-CZ 4.26Å; F768-L780 HydrophobicContact CB-CD1 3.94Å; F768-L780 HydrophobicContact CD1-CD1 3.85Å; F768-L780 HydrophobicContact CD1-CD2 4.47Å; F768-L780 HydrophobicContact CD1-CG 3.98Å; F768-L780 HydrophobicContact CG-CD1 4.36Å; F768-E781 CarbonylContact C-O 3.58Å; F768-E781 WeakPolarHBondContact CA-O 3.39Å; F768-A782 HydrophobicContact CD1-CB 3.59Å; F768-A782 HydrophobicContact CD2-CB 4Å; F768-A782 HydrophobicContact CE1-CB 3.63Å; F768-A782 HydrophobicContact CE2-CB 4.04Å; F768-A782 HydrophobicContact CG-CB 3.79Å; F768-A782 HydrophobicContact CZ-CB 3.86Å; F768-T786 HydrophobicContact CZ-CG2 4.47Å; F768-L790 HydrophobicContact CE2-CD1 3.92Å; F768-L790 HydrophobicContact CZ-CD1 3.59Å |
| 769 | H | 92.1 | Very high | 89.2 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 30% | 0.296 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 99.1 | 175 | -68.3 | -106.3 | 0 | 0 | 0 | 108.4 | E781 | H769-E781 HydrophobicContact CB-CB 4.47Å; H769-E781 PolarHBondContact N-O 3.36Å; H769-E781 PolarHBondContact O-N 3Å; H769-E781 VanDerWaalsContact O-N 3.12Å |
| 770 | Y | 94.4 | Very high | 89.8 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.02 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 121.4 | 177 | 170.6 | -130.9 | 0 | 0 | 0 | 110 | I749 N750 D756 P758 R759 F761 E778 | I749-Y770 HydrophobicContact CG2-CD1 4.11Å; I749-Y770 HydrophobicContact CG2-CE1 4.36Å; I749-Y770 HydrophobicContact CG2-CG 4.2Å; N750-Y770 VanDerWaalsContact ND2-CZ 3.29Å; N750-Y770 PolarHBondContact ND2-OH 3.06Å; D756-Y770 HydrophobicContact CB-CE1 4.15Å; P758-Y770 CarbonylContact C-O 3.59Å; P758-Y770 WeakPolarHBondContact CA-O 3.48Å; P758-Y770 HydrophobicContact CG-CE1 4.39Å; R759-Y770 PolarHBondContact N-O 3.42Å; R759-Y770 PolarHBondContact O-N 2.53Å; F761-Y770 AromaticContact CE2-CD1 3.94Å; F761-Y770 HydrophobicContact CE2-CD1 3.94Å; F761-Y770 HydrophobicContact CE2-CG 4.39Å; F761-Y770 HydrophobicContact CZ-CD1 4.35Å; Y770-E778 HydrophobicContact CE2-CG 3.88Å; Y770-E778 WeakPolarHBondContact CE2-OE1 3.38Å |
| 771 | R | 92.9 | Very high | 90.3 | Very high | 125 Ų | 125 | 48.6 Ų | 48.6 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.7 | -176.2 | -45.4 | -174 | -163.6 | -149.8 | 5.4 | 110.8 | S779 E781 | R771-S779 PolarHBondContact N-O 3.38Å; R771-S779 PolarHBondContact O-N 2.84Å; R771-E781 IonicContact CZ-OE1 3.56Å; R771-E781 IonicContact CZ-OE2 3.39Å; R771-E781 VanDerWaalsContact CZ-OE2 3.29Å; R771-E781 IonicContact NE-OE1 2.73Å; R771-E781 PolarHBondContact NE-OE1 3.12Å; R771-E781 IonicContact NE-OE2 2.65Å; R771-E781 PolarHBondContact NE-OE2 3.48Å; R771-E781 IonicContact NH2-OE1 2.73Å; R771-E781 IonicContact NH2-OE2 2.68Å; R771-E781 PolarHBondContact NH2-OE2 3.41Å |
| 772 | R | 90.6 | Very high | 90.5 | Very high | 70 Ų | 70 | 48.5 Ų | 48.5 | 26% | 0.264 | 27% | 0.267 | S | S | . | . | trans | -140.8 | 77.1 | 172.8 | -159 | -178.3 | -154.5 | -67.4 | -12.3 | 110.9 | S734 N736 P758 E778 | S734-R772 PolarHBondContact O-NH2 3.44Å; N736-R772 PolarHBondContact O-NH2 3.44Å; P758-R772 HydrophobicContact CG-CB 3.74Å; R772-E778 HydrophobicContact CB-CG 4.26Å; R772-E778 WeakPolarHBondContact CD-OE2 3.41Å; R772-E778 HydrophobicContact CG-CB 4.34Å; R772-E778 HydrophobicContact CG-CG 3.99Å; R772-E778 IonicContact CZ-OE2 3.61Å; R772-E778 IonicContact NE-OE2 3.64Å; R772-E778 PolarHBondContact NE-OE2 2.84Å; R772-E778 IonicContact NH2-OE2 2.76Å; R772-E778 PolarHBondContact NH2-OE2 2.72Å | ||
| 773 | P | 86.8 | Confident | 90.8 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | trans | -63.8 | 170 | 175.2 | -22.2 | 37.6 | 0 | 0 | 0 | 112 | D775 E776 | P773-D775 VanDerWaalsContact C-N 3.3Å; P773-E776 HydrophobicContact CB-CB 4.02Å; P773-E776 HydrophobicContact CB-CG 4.34Å; P773-E776 HydrophobicContact CG-CB 3.96Å; P773-E776 HydrophobicContact CG-CG 4.44Å | ||
| 774 | T | 83.6 | Confident | 90.6 | Very high | 135 Ų | 135 | 45.9 Ų | 45.9 | 83% | 0.828 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -76.6 | -18.2 | 176.8 | 34.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 775 | D | 88.6 | Confident | 90.7 | Very high | 124 Ų | 124 | 49.2 Ų | 49.2 | 66% | 0.663 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -142.2 | -1.7 | -159.2 | 47.3 | -50.2 | 0 | 0 | 0 | 113.1 | P773 | P773-D775 VanDerWaalsContact C-N 3.3Š|
| 776 | E | 89.3 | Confident | 91.2 | Very high | 105 Ų | 105 | 46.1 Ų | 46.1 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -121.6 | 152.6 | 169.4 | -55.2 | -167.9 | 145 | 0 | 0 | 110.4 | P773 | P773-E776 HydrophobicContact CB-CB 4.02Å; P773-E776 HydrophobicContact CB-CG 4.34Å; P773-E776 HydrophobicContact CG-CB 3.96Å; P773-E776 HydrophobicContact CG-CG 4.44Å |
| 777 | P | 91.9 | Very high | 91.2 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 16% | 0.162 | 26% | 0.257 | C | S | . | . | trans | -64.3 | 153.5 | 178.3 | -17.1 | 29.9 | 0 | 0 | 0 | 112.5 | E730 V733 | E730-P777 HydrophobicContact CB-CB 3.65Å; E730-P777 WeakPolarHBondContact O-CB 3.49Å; V733-P777 HydrophobicContact CG2-CG 4.21Å | ||
| 778 | E | 94.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | trans | -61.5 | 136.5 | 179.6 | -164.6 | 175.1 | 134 | 0 | 0 | 111.6 | R729 E730 I738 Y770 R772 | R729-E778 WeakPolarHBondContact CA-O 3.48Å; E730-E778 HydrophobicContact CG-CB 4.04Å; E730-E778 PolarHBondContact N-O 3.24Å; E730-E778 PolarHBondContact OE2-N 3.04Å; I738-E778 WeakPolarHBondContact CB-OE1 3.08Å; I738-E778 HydrophobicContact CD1-CB 4.29Å; I738-E778 HydrophobicContact CD1-CG 4.23Å; I738-E778 PolarHBondContact N-OE1 3.36Å; Y770-E778 HydrophobicContact CE2-CG 3.88Å; Y770-E778 WeakPolarHBondContact CE2-OE1 3.38Å; R772-E778 HydrophobicContact CB-CG 4.26Å; R772-E778 WeakPolarHBondContact CD-OE2 3.41Å; R772-E778 HydrophobicContact CG-CB 4.34Å; R772-E778 HydrophobicContact CG-CG 3.99Å; R772-E778 IonicContact CZ-OE2 3.61Å; R772-E778 IonicContact NE-OE2 3.64Å; R772-E778 PolarHBondContact NE-OE2 2.84Å; R772-E778 IonicContact NH2-OE2 2.76Å; R772-E778 PolarHBondContact NH2-OE2 2.72Å | ||
| 779 | S | 95.2 | Very high | 91.4 | Very high | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 150.6 | 176.7 | 80.8 | 0 | 0 | 0 | 0 | 113.5 | I728 R771 E781 | I728-S779 CarbonylContact O-C 3.58Å; I728-S779 WeakPolarHBondContact O-CA 3.43Å; R771-S779 PolarHBondContact N-O 3.38Å; R771-S779 PolarHBondContact O-N 2.84Å; S779-E781 PolarHBondContact OG-OE1 3.19Å |
| 780 | L | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 110.5 | 176.8 | 179.7 | 60.9 | 0 | 0 | 0 | 108.5 | I728 I738 L740 I749 F768 | I728-L780 HydrophobicContact CB-CB 4.31Å; I728-L780 HydrophobicContact CD1-CB 4.28Å; I728-L780 HydrophobicContact CD1-CD2 3.87Å; I728-L780 HydrophobicContact CD1-CG 4.12Å; I728-L780 PolarHBondContact N-O 2.54Å; I728-L780 PolarHBondContact O-N 3.09Å; I738-L780 HydrophobicContact CG2-CD2 4.01Å; L740-L780 HydrophobicContact CB-CD2 4.2Å; L740-L780 HydrophobicContact CD1-CD2 4.46Å; L740-L780 HydrophobicContact CD2-CD2 4.36Å; I749-L780 HydrophobicContact CD1-CD1 3.68Å; I749-L780 HydrophobicContact CD1-CD2 4.38Å; F768-L780 HydrophobicContact CB-CD1 3.94Å; F768-L780 HydrophobicContact CD1-CD1 3.85Å; F768-L780 HydrophobicContact CD1-CD2 4.47Å; F768-L780 HydrophobicContact CD1-CG 3.98Å; F768-L780 HydrophobicContact CG-CD1 4.36Å |
| 781 | E | 95.3 | Very high | 91.6 | Very high | 54 Ų | 54 | 51.4 Ų | 51.4 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.3 | -168.9 | -64.9 | 152.1 | -136.1 | 0 | 0 | 111.3 | I726 F768 H769 R771 S779 | I726-E781 CarbonylContact O-C 3.54Å; I726-E781 WeakPolarHBondContact O-CA 3.05Å; F768-E781 CarbonylContact C-O 3.58Å; F768-E781 WeakPolarHBondContact CA-O 3.39Å; H769-E781 HydrophobicContact CB-CB 4.47Å; H769-E781 PolarHBondContact N-O 3.36Å; H769-E781 PolarHBondContact O-N 3Å; H769-E781 VanDerWaalsContact O-N 3.12Å; R771-E781 IonicContact CZ-OE1 3.56Å; R771-E781 IonicContact CZ-OE2 3.39Å; R771-E781 VanDerWaalsContact CZ-OE2 3.29Å; R771-E781 IonicContact NE-OE1 2.73Å; R771-E781 PolarHBondContact NE-OE1 3.12Å; R771-E781 IonicContact NE-OE2 2.65Å; R771-E781 PolarHBondContact NE-OE2 3.48Å; R771-E781 IonicContact NH2-OE1 2.73Å; R771-E781 IonicContact NH2-OE2 2.68Å; R771-E781 PolarHBondContact NH2-OE2 3.41Å; S779-E781 PolarHBondContact OG-OE1 3.19Å |
| 782 | A | 93.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 5% | 0.05 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 142.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I726 T766 A767 F768 | I726-A782 HydrophobicContact CB-CB 4.3Å; I726-A782 HydrophobicContact CD1-CB 4.39Å; I726-A782 PolarHBondContact N-O 3.38Å; I726-A782 PolarHBondContact O-N 3.35Å; T766-A782 HydrophobicContact CG2-CB 4.07Å; A767-A782 WeakPolarHBondContact O-CA 3.06Å; A767-A782 WeakPolarHBondContact O-CB 3.36Å; F768-A782 HydrophobicContact CD1-CB 3.59Å; F768-A782 HydrophobicContact CD2-CB 4Å; F768-A782 HydrophobicContact CE1-CB 3.63Å; F768-A782 HydrophobicContact CE2-CB 4.04Å; F768-A782 HydrophobicContact CG-CB 3.79Å; F768-A782 HydrophobicContact CZ-CB 3.86Å |
| 783 | L | 90.4 | Very high | 91.8 | Very high | 88 Ų | 88 | 42.8 Ų | 42.8 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | trans | -79 | -26.3 | 178.8 | -64.7 | 178.4 | 0 | 0 | 0 | 113.1 | R688 V724 H725 | R688-L783 VanDerWaalsContact CD-O 3.22Å; R688-L783 WeakPolarHBondContact CD-O 3.23Å; V724-L783 CarbonylContact C-O 3.5Å; V724-L783 VanDerWaalsContact CA-O 3.28Å; V724-L783 WeakPolarHBondContact CA-O 3.29Å; V724-L783 WeakPolarHBondContact CB-O 3.48Å; H725-L783 PolarHBondContact N-O 3.31Å | ||
| 784 | G | 86.9 | Confident | 92.1 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | trans | 70.2 | -171.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R688 T766 | R688-G784 PolarHBondContact NH1-O 2.95Å; T766-G784 VanDerWaalsContact OG1-CA 3.27Å; T766-G784 WeakPolarHBondContact OG1-CA 3.08Å; T766-G784 PolarHBondContact OG1-N 3.39Å | ||
| 785 | P | 91 | Very high | 92.4 | Very high | 75 Ų | 75 | 34.5 Ų | 34.5 | 49% | 0.487 | 19% | 0.187 | S | C | . | . | cis | -72 | 150.9 | -0.6 | 29.9 | -35.6 | 0 | 0 | 0 | 113 | S723 V724 | S723-P785 WeakPolarHBondContact O-CA 3.36Å; V724-P785 HydrophobicContact CG1-CB 3.93Å | ||
| 786 | T | 91.9 | Very high | 92.4 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | trans | -79.6 | 144.7 | 172.5 | 52 | 0 | 0 | 0 | 0 | 112.4 | P720 K721 G722 S723 I726 A764 T766 F768 L790 | P720-T786 PolarHBondContact O-OG1 3.28Å; P720-T786 VanDerWaalsContact O-OG1 3.08Å; K721-T786 WeakPolarHBondContact CA-OG1 3.48Å; G722-T786 WeakPolarHBondContact CA-O 3.32Å; G722-T786 PolarHBondContact N-O 3.34Å; G722-T786 PolarHBondContact N-OG1 3.01Å; S723-T786 PolarHBondContact N-OG1 2.74Å; S723-T786 PolarHBondContact O-N 3.07Å; I726-T786 HydrophobicContact CD1-CG2 3.7Å; A764-T786 HydrophobicContact CB-CG2 4.21Å; A764-T786 CarbonylContact O-C 3.51Å; A764-T786 WeakPolarHBondContact O-CA 3.44Å; T766-T786 HydrophobicContact CG2-CG2 4.23Å; F768-T786 HydrophobicContact CZ-CG2 4.47Å; T786-L790 HydrophobicContact CG2-CD1 4.05Å | ||
| 787 | T | 90 | Very high | 92.3 | Very high | 71 Ų | 71 | 28.2 Ų | 28.2 | 44% | 0.436 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -90.1 | -13.3 | 177.8 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | K721 A764 G765 | K721-T787 VanDerWaalsContact CD-O 3.25Å; K721-T787 WeakPolarHBondContact CD-O 3.24Å; K721-T787 WeakPolarHBondContact CE-O 3.25Å; K721-T787 PolarHBondContact NZ-O 2.79Å; A764-T787 VanDerWaalsContact CA-OG1 3.29Å; A764-T787 WeakPolarHBondContact CA-OG1 3.5Å; A764-T787 PolarHBondContact O-N 2.81Å; A764-T787 PolarHBondContact O-OG1 2.86Å; G765-T787 PolarHBondContact N-OG1 3.36Å |
| 788 | E | 91.7 | Very high | 92.1 | Very high | 71 Ų | 71 | 29.1 Ų | 29.1 | 33% | 0.332 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -145.2 | 172 | -177.6 | 67.6 | -145.1 | 145.9 | 0 | 0 | 110.5 | K721 Y748 A764 L790 | K721-E788 WeakPolarHBondContact CA-O 3.43Å; Y748-E788 PolarHBondContact OH-OE1 3Å; A764-E788 WeakPolarHBondContact CA-OE1 3.47Å; A764-E788 HydrophobicContact CB-CG 3.75Å; A764-E788 WeakPolarHBondContact CB-OE1 3.26Å; A764-E788 PolarHBondContact N-OE1 3.28Å; E788-L790 HydrophobicContact CG-CD2 4.21Å |
| 789 | N | 92.8 | Very high | 91.7 | Very high | 57 Ų | 57 | 35.2 Ų | 35.2 | 31% | 0.305 | 19% | 0.185 | S | C | . | . | trans | -81 | 145.2 | 173.4 | -58.7 | -44.1 | 0 | 0 | 0 | 109.8 | P720 K721 E743 | P720-N789 WeakPolarHBondContact CA-OD1 3.46Å; K721-N789 PolarHBondContact N-OD1 3.47Å; E743-N789 WeakPolarHBondContact OE2-CB 3.23Å; E743-N789 PolarHBondContact OE2-ND2 3.21Å | ||
| 790 | L | 95.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 130.4 | -178.2 | -63 | 170.9 | 0 | 0 | 0 | 111.2 | I719 L740 K741 Y748 I763 A764 F768 T786 E788 | I719-L790 HydrophobicContact CB-CB 4.44Å; I719-L790 PolarHBondContact N-O 2.84Å; I719-L790 PolarHBondContact O-N 2.87Å; L740-L790 HydrophobicContact CD1-CB 4.09Å; L740-L790 HydrophobicContact CD1-CD1 4.41Å; L740-L790 HydrophobicContact CD2-CD1 4.32Å; K741-L790 CarbonylContact O-C 3.53Å; K741-L790 WeakPolarHBondContact O-CA 3.42Å; Y748-L790 HydrophobicContact CD2-CD2 4.13Å; Y748-L790 HydrophobicContact CE2-CD2 3.56Å; I763-L790 HydrophobicContact CG2-CD2 4.25Å; A764-L790 HydrophobicContact CB-CD1 3.84Å; A764-L790 HydrophobicContact CB-CD2 4.29Å; A764-L790 HydrophobicContact CB-CG 4.28Å; F768-L790 HydrophobicContact CE2-CD1 3.92Å; F768-L790 HydrophobicContact CZ-CD1 3.59Å; T786-L790 HydrophobicContact CG2-CD1 4.05Å; E788-L790 HydrophobicContact CG-CD2 4.21Å |
| 791 | S | 95.1 | Very high | 90.9 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 124.5 | 169.3 | -75.8 | 0 | 0 | 0 | 0 | 110.6 | E715 K741 | E715-S791 VanDerWaalsContact OE2-CB 3.26Å; E715-S791 WeakPolarHBondContact OE2-CB 3.45Å; E715-S791 PolarHBondContact OE2-OG 2.03Å; K741-S791 PolarHBondContact N-O 2.75Å; K741-S791 PolarHBondContact O-N 3.36Å |
| 792 | V | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 124.4 | 166.6 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | V716 V717 I719 I728 I738 L740 | V716-V792 HydrophobicContact CB-CB 4.23Å; V716-V792 HydrophobicContact CB-CG1 4.01Å; V716-V792 WeakPolarHBondContact CB-O 3.5Å; V716-V792 HydrophobicContact CG1-CG1 4.37Å; V716-V792 HydrophobicContact CG2-CG1 4.36Å; V716-V792 PolarHBondContact N-O 2.78Å; V717-V792 HydrophobicContact CG1-CB 3.91Å; V717-V792 HydrophobicContact CG1-CG2 3.77Å; V717-V792 WeakPolarHBondContact O-CB 3.22Å; V717-V792 PolarHBondContact O-N 2.85Å; I719-V792 HydrophobicContact CD1-CG2 3.5Å; I719-V792 HydrophobicContact CG1-CG2 4.02Å; I728-V792 HydrophobicContact CD1-CB 4.45Å; I728-V792 HydrophobicContact CD1-CG1 4Å; I728-V792 HydrophobicContact CD1-CG2 3.52Å; I728-V792 HydrophobicContact CG1-CG1 4.5Å; I728-V792 HydrophobicContact CG1-CG2 4.24Å; I728-V792 HydrophobicContact CG2-CG1 3.91Å; I738-V792 HydrophobicContact CG2-CG1 4.11Å; L740-V792 HydrophobicContact CD1-CG2 4.34Å |
| 793 | M | 93.3 | Very high | 90.7 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 6% | 0.064 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 157.7 | -179.3 | -54.8 | -62.9 | -65.1 | 0 | 0 | 110.1 | Y713 M714 E715 I738 A739 K741 Y747 | Y713-M793 HydrophobicContact CD1-CB 4.36Å; M714-M793 CarbonylContact O-C 3.57Å; M714-M793 VanDerWaalsContact O-CA 3.26Å; M714-M793 WeakPolarHBondContact O-CA 3.46Å; E715-M793 HydrophobicContact CB-CE 4.16Å; E715-M793 HydrophobicContact CB-SD 3.75Å; E715-M793 HydrophobicContact CG-SD 3.97Å; I738-M793 WeakPolarHBondContact CA-O 3.44Å; A739-M793 HydrophobicContact CB-CB 4.09Å; A739-M793 PolarHBondContact N-O 3.3Å; A739-M793 PolarHBondContact O-N 2.84Å; K741-M793 HydrophobicContact CB-CG 3.99Å; K741-M793 HydrophobicContact CD-CG 4.09Å; K741-M793 HydrophobicContact CD-SD 4.19Å; Y747-M793 HydrophobicContact CE1-CG 4.24Å |
| 794 | V | 92.2 | Very high | 91 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.4 | 167.1 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | F704 Y713 M714 V716 N736 Y737 L796 I803 | F704-V794 HydrophobicContact CE1-CG1 3.96Å; Y713-V794 CarbonylContact C-O 3.58Å; Y713-V794 WeakPolarHBondContact CA-O 3.38Å; M714-V794 HydrophobicContact CB-CG1 4.13Å; M714-V794 PolarHBondContact N-O 3.46Å; M714-V794 PolarHBondContact O-N 2.84Å; V716-V794 HydrophobicContact CG2-CB 3.93Å; V716-V794 HydrophobicContact CG2-CG1 3.7Å; N736-V794 HydrophobicContact CB-CG2 3.96Å; Y737-V794 CarbonylContact O-C 3.57Å; Y737-V794 WeakPolarHBondContact O-CA 3.31Å; V794-L796 HydrophobicContact CG1-CD2 4.16Å; V794-L796 HydrophobicContact CG1-CG 4.33Å; V794-L796 HydrophobicContact CG2-CD2 3.93Å; V794-I803 HydrophobicContact CB-CD1 3.62Å; V794-I803 HydrophobicContact CG1-CD1 4.09Å; V794-I803 HydrophobicContact CG2-CD1 3.71Å |
| 795 | L | 90.6 | Very high | 91.4 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 107.3 | 170.7 | 177.5 | 59.7 | 0 | 0 | 0 | 109.8 | Y713 N736 Y737 W753 I755 Q797 | Y713-L795 HydrophobicContact CD1-CB 3.99Å; Y713-L795 HydrophobicContact CD2-CD1 4.07Å; Y713-L795 HydrophobicContact CE1-CB 3.83Å; Y713-L795 HydrophobicContact CE1-CD1 4.44Å; Y713-L795 HydrophobicContact CE1-CD2 4.39Å; Y713-L795 HydrophobicContact CE1-CG 4.44Å; Y713-L795 HydrophobicContact CE2-CD1 3.92Å; Y713-L795 HydrophobicContact CG-CD1 4.39Å; N736-L795 VanDerWaalsContact CA-O 3.3Å; N736-L795 WeakPolarHBondContact CA-O 3.29Å; N736-L795 WeakPolarHBondContact CB-O 3.49Å; Y737-L795 HydrophobicContact CD2-CD2 4.44Å; Y737-L795 PolarHBondContact N-O 3.22Å; Y737-L795 PolarHBondContact O-N 3.12Å; W753-L795 HydrophobicContact CE3-CD1 4.22Å; W753-L795 HydrophobicContact CZ3-CD1 3.83Å; I755-L795 HydrophobicContact CD1-CD2 4.27Å; L795-Q797 PolarHBondContact O-N 3.26Å |
| 796 | L | 88.7 | Confident | 91.7 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -84 | 106.5 | -175.6 | -65.5 | 175.4 | 0 | 0 | 0 | 112.2 | L708 G711 G712 M714 N736 V794 N800 | L708-L796 HydrophobicContact CB-CD1 3.62Å; G711-L796 PolarHBondContact N-O 3.17Å; G712-L796 PolarHBondContact O-N 2.89Å; G712-L796 VanDerWaalsContact O-N 3.16Å; M714-L796 HydrophobicContact CG-CD1 3.89Å; N736-L796 WeakPolarHBondContact OD1-CA 3.32Å; V794-L796 HydrophobicContact CG1-CD2 4.16Å; V794-L796 HydrophobicContact CG1-CG 4.33Å; V794-L796 HydrophobicContact CG2-CD2 3.93Å; L796-N800 HydrophobicContact CD2-CB 4.1Å | ||
| 797 | Q | 87.2 | Confident | 91.9 | Very high | 96 Ų | 96 | 39.1 Ų | 39.1 | 45% | 0.449 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -93.3 | -32.6 | 170.9 | -63.6 | -62.5 | -43.8 | 0 | 0 | 111.7 | K735 N736 Y737 L795 | K735-Q797 HydrophobicContact CB-CB 4.12Å; K735-Q797 WeakPolarHBondContact O-CB 3.06Å; K735-Q797 WeakPolarHBondContact O-CG 3.49Å; N736-Q797 PolarHBondContact OD1-N 2.83Å; Y737-Q797 HydrophobicContact CD2-CG 4.36Å; Y737-Q797 HydrophobicContact CE2-CG 4.22Å; L795-Q797 PolarHBondContact O-N 3.26Å |
| 798 | E | 88.1 | Confident | 92.1 | Very high | 45 Ų | 45 | 36.2 Ų | 36.2 | 21% | 0.21 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -129.2 | -146.5 | 174.7 | 62.4 | -168.2 | 169.6 | 0 | 0 | 111.8 | R710 K735 N736 | R710-E798 PolarHBondContact NE-O 2.92Å; K735-E798 HydrophobicContact CB-CG 4.17Å; K735-E798 WeakPolarHBondContact CB-OE1 3.04Å; K735-E798 WeakPolarHBondContact CG-OE1 3.33Å; K735-E798 PolarHBondContact N-OE1 3.06Å; K735-E798 VanDerWaalsContact NZ-CD 3.33Å; K735-E798 IonicContact NZ-OE1 3.77Å; K735-E798 PolarHBondContact NZ-OE1 3.11Å; K735-E798 IonicContact NZ-OE2 3.41Å; K735-E798 PolarHBondContact NZ-OE2 3.33Å; N736-E798 PolarHBondContact OD1-N 3.4Å |
| 799 | E | 84.9 | Confident | 92.1 | Very high | 129 Ų | 129 | 35.2 Ų | 35.2 | 60% | 0.603 | 17% | 0.167 | S | C | * | . | trans | -84.8 | 149.7 | 177.6 | -161.7 | 161.8 | 167 | 0 | 0 | 109.9 | N736 L801 | N736-E799 PolarHBondContact ND2-O 3.38Å; E799-L801 PolarHBondContact O-N 2.71Å | ||
| 800 | N | 86.9 | Confident | 91.8 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 12% | 0.118 | 17% | 0.167 | C | C | . | . | trans | -75.7 | 108.5 | 177.6 | -178.4 | 10.9 | 0 | 0 | 0 | 109.5 | F704 N705 L796 G802 | F704-N800 WeakPolarHBondContact CD1-ND2 3.3Å; F704-N800 PolarHBondContact O-ND2 3.48Å; N705-N800 WeakPolarHBondContact CA-ND2 3.43Å; L796-N800 HydrophobicContact CD2-CB 4.1Å; N800-G802 PolarHBondContact O-N 2.95Å; N800-G802 WeakPolarHBondContact OD1-CA 3.46Å; N800-G802 PolarHBondContact OD1-N 3.2Å | ||
| 801 | L | 87.8 | Confident | 91.1 | Very high | 88 Ų | 88 | 38.3 Ų | 38.3 | 46% | 0.461 | 19% | 0.186 | S | C | . | . | trans | -79.9 | -3.3 | 177.2 | -56.1 | -176.3 | 0 | 0 | 0 | 113.2 | A732 E799 | A732-L801 HydrophobicContact CB-CB 4.27Å; A732-L801 HydrophobicContact CB-CD1 3.97Å; E799-L801 PolarHBondContact O-N 2.71Å | ||
| 802 | G | 90.8 | Very high | 89.5 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | trans | 109.2 | 131.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | F704 V731 N800 | F704-G802 WeakPolarHBondContact O-CA 3.36Å; V731-G802 WeakPolarHBondContact CB-O 3.22Å; V731-G802 WeakPolarHBondContact CG2-O 3.37Å; V731-G802 PolarHBondContact N-O 3.09Å; N800-G802 PolarHBondContact O-N 2.95Å; N800-G802 WeakPolarHBondContact OD1-CA 3.46Å; N800-G802 PolarHBondContact OD1-N 3.2Å | ||
| 803 | I | 93.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.8 | 167.2 | -59.6 | 174.8 | 0 | 0 | 0 | 108.3 | L703 F704 V716 I728 I738 V794 | L703-I803 WeakPolarHBondContact CA-O 3.44Å; F704-I803 PolarHBondContact N-O 2.94Å; F704-I803 PolarHBondContact O-N 2.87Å; V716-I803 HydrophobicContact CG1-CB 4.29Å; V716-I803 HydrophobicContact CG1-CG2 4.11Å; V716-I803 HydrophobicContact CG2-CD1 4Å; I728-I803 HydrophobicContact CG2-CG2 3.75Å; I738-I803 HydrophobicContact CG1-CD1 4.38Å; V794-I803 HydrophobicContact CB-CD1 3.62Å; V794-I803 HydrophobicContact CG1-CD1 4.09Å; V794-I803 HydrophobicContact CG2-CD1 3.71Å |
| 804 | H | 96.1 | Very high | 84.9 | Confident | 52 Ų | 52 | 61.2 Ų | 61.2 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 140.5 | 168.9 | 177.5 | -105.8 | 0 | 0 | 0 | 109.1 | E701 G702 R729 V731 | E701-H804 WeakPolarHBondContact CG-NE2 3.49Å; E701-H804 IonicContact OE1-CE1 2.59Å; E701-H804 IonicContact OE1-NE2 3.32Å; E701-H804 PolarHBondContact OE1-NE2 3.22Å; G702-H804 WeakPolarHBondContact O-CA 3.24Å; G702-H804 PolarHBondContact O-CD2 2.85Å; G702-H804 VanDerWaalsContact O-CD2 3.29Å; R729-H804 PolarHBondContact N-O 3.11Å; R729-H804 PolarHBondContact O-N 2.79Å; V731-H804 HydrophobicContact CG2-CB 4.38Å |
| 805 | Y | 96.4 | Very high | 82.3 | Confident | 44 Ų | 44 | 64.8 Ų | 64.8 | 17% | 0.173 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 147.7 | 175.6 | 61.2 | -101.3 | 0 | 0 | 0 | 110.8 | T700 E701 G702 F704 V716 V717 E727 F807 | T700-Y805 HydrophobicContact CG2-CE2 4.37Å; E701-Y805 CarbonylContact C-O 3.58Å; E701-Y805 VanDerWaalsContact CA-O 3.31Å; E701-Y805 WeakPolarHBondContact CA-O 3.5Å; G702-Y805 PolarHBondContact N-O 2.87Å; G702-Y805 PolarHBondContact O-N 2.68Å; F704-Y805 HydrophobicContact CB-CE1 4.43Å; V716-Y805 HydrophobicContact CG1-CD1 4.09Å; V716-Y805 HydrophobicContact CG1-CE1 4.48Å; V717-Y805 HydrophobicContact CB-CD1 4.12Å; V717-Y805 HydrophobicContact CB-CD2 4.21Å; V717-Y805 HydrophobicContact CB-CE1 3.99Å; V717-Y805 HydrophobicContact CB-CE2 4.12Å; V717-Y805 HydrophobicContact CB-CG 4.22Å; V717-Y805 HydrophobicContact CG1-CD1 3.99Å; V717-Y805 HydrophobicContact CG1-CD2 4.02Å; V717-Y805 HydrophobicContact CG1-CE1 4.38Å; V717-Y805 HydrophobicContact CG1-CE2 4.44Å; V717-Y805 HydrophobicContact CG1-CG 3.79Å; V717-Y805 HydrophobicContact CG2-CD2 4.01Å; V717-Y805 HydrophobicContact CG2-CE1 4.41Å; V717-Y805 HydrophobicContact CG2-CE2 3.69Å; E727-Y805 CarbonylContact O-C 3.59Å; E727-Y805 WeakPolarHBondContact O-CA 3.48Å; Y805-F807 AromaticContact CD2-CE1 3.94Å; Y805-F807 HydrophobicContact CD2-CE1 3.94Å; Y805-F807 HydrophobicContact CE2-CE1 4.47Å |
| 806 | R | 96.6 | Very high | 79.9 | Confident | 105 Ų | 105 | 66.5 Ų | 66.5 | 40% | 0.396 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 135.8 | 178.8 | -174.1 | 177 | 178.8 | 146.8 | -6.8 | 110.8 | T700 E701 I726 E727 | T700-R806 CarbonylContact O-C 3.54Å; T700-R806 VanDerWaalsContact O-CA 3.32Å; T700-R806 WeakPolarHBondContact O-CA 3.41Å; E701-R806 HydrophobicContact CB-CB 4.49Å; E701-R806 HydrophobicContact CB-CG 4.23Å; E701-R806 HydrophobicContact CG-CB 4.13Å; E701-R806 HydrophobicContact CG-CG 4.17Å; E701-R806 WeakPolarHBondContact OE2-CD 3.42Å; E701-R806 IonicContact OE2-CZ 2.84Å; E701-R806 VanDerWaalsContact OE2-CZ 3.26Å; E701-R806 IonicContact OE2-NE 3.38Å; E701-R806 PolarHBondContact OE2-NE 3.04Å; E701-R806 IonicContact OE2-NH1 3.51Å; E701-R806 PolarHBondContact OE2-NH1 3.09Å; I726-R806 CarbonylContact C-O 3.49Å; I726-R806 WeakPolarHBondContact CA-O 3.39Å; E727-R806 PolarHBondContact N-O 2.85Å; E727-R806 PolarHBondContact O-N 2.8Å |
| 807 | F | 95.9 | Very high | 77.6 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.009 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 154.6 | 171.4 | 50 | -87.4 | 0 | 0 | 0 | 110.5 | T700 V717 Q718 I719 I726 Y805 I809 | T700-F807 HydrophobicContact CG2-CE1 4.27Å; T700-F807 HydrophobicContact CG2-CE2 4.04Å; T700-F807 HydrophobicContact CG2-CZ 3.8Å; T700-F807 PolarHBondContact N-O 2.95Å; T700-F807 PolarHBondContact O-N 2.6Å; T700-F807 VanDerWaalsContact O-O 3.06Å; V717-F807 HydrophobicContact CG1-CE1 4.15Å; V717-F807 HydrophobicContact CG2-CE1 3.78Å; V717-F807 HydrophobicContact CG2-CZ 3.78Å; Q718-F807 WeakPolarHBondContact O-CZ 3.39Å; I719-F807 HydrophobicContact CG1-CD1 3.99Å; I719-F807 HydrophobicContact CG1-CE1 3.86Å; I719-F807 HydrophobicContact CG1-CG 4.43Å; I719-F807 HydrophobicContact CG1-CZ 4.18Å; I719-F807 HydrophobicContact CG2-CD2 4.42Å; I726-F807 HydrophobicContact CB-CB 4.37Å; I726-F807 HydrophobicContact CG1-CB 3.81Å; Y805-F807 AromaticContact CD2-CE1 3.94Å; Y805-F807 HydrophobicContact CD2-CE1 3.94Å; Y805-F807 HydrophobicContact CE2-CE1 4.47Å; F807-I809 HydrophobicContact CD2-CD1 4.41Å; F807-I809 HydrophobicContact CD2-CG1 3.75Å; F807-I809 HydrophobicContact CE2-CD1 3.85Å; F807-I809 HydrophobicContact CE2-CG1 3.68Å |
| 808 | N | 94.4 | Very high | 75.6 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 5% | 0.053 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 118.8 | 176.9 | -56.2 | -34.6 | 0 | 0 | 0 | 109.7 | R686 C697 E698 A699 S723 V724 | R686-N808 PolarHBondContact O-ND2 2.86Å; C697-N808 HydrophobicContact CB-CB 4.28Å; E698-N808 CarbonylContact O-C 3.45Å; E698-N808 VanDerWaalsContact O-CA 3.29Å; E698-N808 WeakPolarHBondContact O-CA 3.48Å; A699-N808 WeakPolarHBondContact CA-OD1 3.44Å; A699-N808 VanDerWaalsContact CB-OD1 3.27Å; A699-N808 WeakPolarHBondContact CB-OD1 3.33Å; S723-N808 WeakPolarHBondContact CA-O 3.12Å; V724-N808 HydrophobicContact CG2-CB 4Å; V724-N808 PolarHBondContact N-O 2.86Å; V724-N808 PolarHBondContact O-N 3.07Å |
| 809 | I | 91.9 | Very high | 73.6 | Confident | 49 Ų | 49 | 73.8 Ų | 73.8 | 25% | 0.251 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 131.7 | 179.9 | -51.7 | 172.7 | 0 | 0 | 0 | 108.4 | C697 E698 T700 P720 F807 I811 | C697-I809 CarbonylContact C-O 3.51Å; C697-I809 WeakPolarHBondContact CA-O 3.42Å; C697-I809 VanDerWaalsContact CB-O 3.27Å; C697-I809 WeakPolarHBondContact CB-O 3.36Å; E698-I809 PolarHBondContact N-O 2.86Å; E698-I809 PolarHBondContact O-N 2.93Å; T700-I809 VanDerWaalsContact OG1-CD1 3.26Å; T700-I809 WeakPolarHBondContact OG1-CD1 3.35Å; P720-I809 HydrophobicContact CB-CG2 4.37Å; P720-I809 HydrophobicContact CG-CD1 4.11Å; P720-I809 HydrophobicContact CG-CG1 4.36Å; P720-I809 HydrophobicContact CG-CG2 4.3Å; F807-I809 HydrophobicContact CD2-CD1 4.41Å; F807-I809 HydrophobicContact CD2-CG1 3.75Å; F807-I809 HydrophobicContact CE2-CD1 3.85Å; F807-I809 HydrophobicContact CE2-CG1 3.68Å; I809-I811 PolarHBondContact O-N 2.91Å |
| 810 | P | 86.1 | Confident | 71.9 | Confident | 47 Ų | 47 | 76.6 Ų | 76.6 | 31% | 0.305 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 133.4 | 173.5 | 27.4 | -34.5 | 0 | 0 | 0 | 110.7 | G722 Q812 | G722-P810 WeakPolarHBondContact O-CD 3.22Å; P810-Q812 PolarHBondContact O-N 2.95Å |
| 811 | I | 80.2 | Confident | 70.4 | Confident | 78 Ų | 78 | 76.5 Ų | 76.5 | 40% | 0.4 | 41% | 0.408 | S | S | . | . | trans | -76.1 | 89.9 | -177.8 | -62.4 | 165.4 | 0 | 0 | 0 | 109.2 | T696 E698 I809 R813 | T696-I811 PolarHBondContact O-N 3.31Å; E698-I811 HydrophobicContact CB-CD1 4.2Å; E698-I811 HydrophobicContact CB-CG1 3.99Å; I809-I811 PolarHBondContact O-N 2.91Å; I811-R813 HydrophobicContact CG2-CG 4.01Å; I811-R813 PolarHBondContact O-N 3.02Å; I811-R813 VanDerWaalsContact O-N 3.15Å | ||
| 812 | Q | 61.8 | Low | 69.2 | Low | 151 Ų | 151 | 74 Ų | 74 | 71% | 0.706 | 40% | 0.403 | S | S | * | . | trans | -66.1 | 107.3 | 159.1 | -64.5 | -172.5 | 14.8 | 0 | 0 | 107.9 | P810 T814 | P810-Q812 PolarHBondContact O-N 2.95Å; Q812-T814 VanDerWaalsContact C-N 3.26Å; Q812-T814 PolarHBondContact O-N 2.87Å | ||
| 813 | R | 50.6 | Low | 68.5 | Low | 218 Ų | 218 | 76.2 Ų | 76.2 | 82% | 0.823 | 41% | 0.412 | S | S | * | . | trans | -73.5 | 79.8 | 177.4 | -71.5 | -171.7 | 177.7 | -175.2 | 1.5 | 110.6 | I811 G815 | I811-R813 HydrophobicContact CG2-CG 4.01Å; I811-R813 PolarHBondContact O-N 3.02Å; I811-R813 VanDerWaalsContact O-N 3.15Å; R813-G815 PolarHBondContact O-N 3Å | ||
| 814 | T | 42.8 | Very low | 67.8 | Low | 138 Ų | 138 | 77.7 Ų | 77.7 | 85% | 0.847 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 59.6 | 171.3 | 43.5 | 0 | 0 | 0 | 0 | 111.7 | Q812 | Q812-T814 VanDerWaalsContact C-N 3.26Å; Q812-T814 PolarHBondContact O-N 2.87Å |
| 815 | G | 37.6 | Very low | 67.2 | Low | 75 Ų | 75 | 76.8 Ų | 76.8 | 77% | 0.773 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.8 | 5.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R813 | R813-G815 PolarHBondContact O-N 3Š|
| 816 | S | 39.6 | Very low | 66.5 | Low | 42 Ų | 42 | 78.6 Ų | 78.6 | 29% | 0.294 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -152.7 | 143.4 | 161.1 | -159.5 | 0 | 0 | 0 | 0 | 106.9 | D818 V821 D854 | S816-D818 PolarHBondContact O-N 3.29Å; S816-V821 WeakPolarHBondContact OG-CG2 3.47Å; S816-D854 PolarHBondContact OG-OD2 3.27Å |
| 817 | G | 39.6 | Very low | 65.7 | Low | 43 Ų | 43 | 77 Ų | 77 | 44% | 0.443 | 42% | 0.424 | S | S | . | . | trans | -89.5 | 102.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N819 E820 V821 | G817-N819 PolarHBondContact O-N 2.53Å; G817-E820 PolarHBondContact O-N 3.04Å; G817-V821 PolarHBondContact O-N 3.13Å | ||
| 818 | D | 45.1 | Very low | 64.8 | Low | 79 Ų | 79 | 78.6 Ų | 78.6 | 42% | 0.422 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -3.4 | 176.8 | -70.6 | -16.5 | 0 | 0 | 0 | 113.9 | S816 F823 R852 | S816-D818 PolarHBondContact O-N 3.29Å; D818-F823 HydrophobicContact CB-CE2 4.43Å; D818-F823 HydrophobicContact CB-CZ 4.3Å; D818-R852 IonicContact OD1-NH1 3.44Å |
| 819 | N | 46.1 | Very low | 64 | Low | 174 Ų | 174 | 83.7 Ų | 83.7 | 93% | 0.93 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -11.4 | 167.6 | -74.3 | -12.6 | 0 | 0 | 0 | 114.2 | G817 | G817-N819 PolarHBondContact O-N 2.53Š|
| 820 | E | 49.5 | Very low | 63.3 | Low | 187 Ų | 187 | 84.9 Ų | 84.9 | 87% | 0.874 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | -25.3 | 174.2 | -68.6 | -166.4 | 143.3 | 0 | 0 | 112.7 | G817 G822 | G817-E820 PolarHBondContact O-N 3.04Å; E820-G822 PolarHBondContact O-N 3.21Å |
| 821 | V | 54.8 | Low | 62.7 | Low | 21 Ų | 21 | 84.8 Ų | 84.8 | 13% | 0.127 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -82.6 | 103.2 | 177.8 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | S816 G817 F823 R852 D854 | S816-V821 WeakPolarHBondContact OG-CG2 3.47Å; G817-V821 PolarHBondContact O-N 3.13Å; V821-F823 WeakPolarHBondContact O-CE2 2.88Å; V821-R852 HydrophobicContact CG1-CG 3.47Å; V821-R852 VanDerWaalsContact CG1-CG 3.47Å; V821-D854 HydrophobicContact CG1-CB 3.84Å; V821-D854 HydrophobicContact CG2-CB 4.17Å |
| 822 | G | 63.8 | Low | 62.3 | Low | 35 Ų | 35 | 89.5 Ų | 89.5 | 36% | 0.361 | 49% | 0.49 | S | S | . | . | trans | -63.7 | 148.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E820 L853 | E820-G822 PolarHBondContact O-N 3.21Å; G822-L853 VanDerWaalsContact O-CB 3.23Å; G822-L853 WeakPolarHBondContact O-CB 3.47Å; G822-L853 WeakPolarHBondContact O-CD1 3.01Å; G822-L853 WeakPolarHBondContact O-CG 3.37Å; G822-L853 PolarHBondContact O-N 2.86Å; G822-L853 VanDerWaalsContact O-N 3.09Å | ||
| 823 | F | 75.9 | Confident | 62.9 | Low | 50 Ų | 50 | 83.4 Ų | 83.4 | 22% | 0.219 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 141.9 | 172.3 | -59.2 | -87.3 | 0 | 0 | 0 | 109.3 | D818 V821 K851 R852 V859 Y863 | D818-F823 HydrophobicContact CB-CE2 4.43Å; D818-F823 HydrophobicContact CB-CZ 4.3Å; V821-F823 WeakPolarHBondContact O-CE2 2.88Å; F823-K851 WeakPolarHBondContact CA-O 3.36Å; F823-R852 HydrophobicContact CD1-CB 4.18Å; F823-R852 HydrophobicContact CD1-CG 3.98Å; F823-R852 HydrophobicContact CE1-CB 4.08Å; F823-R852 HydrophobicContact CE1-CG 3.55Å; F823-R852 HydrophobicContact CZ-CG 4.24Å; F823-V859 HydrophobicContact CD1-CG2 3.89Å; F823-V859 HydrophobicContact CE1-CG2 4.16Å; F823-Y863 WeakPolarHBondContact CB-O 3.29Å; F823-Y863 HydrophobicContact CD1-CG 4.49Å; F823-Y863 WeakPolarHBondContact CD2-O 3.47Å; F823-Y863 AromaticContact CE1-CD1 3.85Å; F823-Y863 HydrophobicContact CE1-CD1 3.85Å; F823-Y863 HydrophobicContact CE1-CG 4.2Å; F823-Y863 HydrophobicContact CE2-CD1 4.2Å; F823-Y863 WeakPolarHBondContact CG-O 3.45Å; F823-Y863 AromaticContact CZ-CD1 3.69Å; F823-Y863 HydrophobicContact CZ-CD1 3.69Å; F823-Y863 HydrophobicContact CZ-CE1 4.47Å; F823-Y863 HydrophobicContact CZ-CG 4.44Å |
| 824 | S | 79.1 | Confident | 63.8 | Low | 31 Ų | 31 | 76.9 Ų | 76.9 | 22% | 0.217 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 148.4 | 179.4 | 46.5 | 0 | 0 | 0 | 0 | 111.9 | H826 K851 L853 C864 | S824-H826 WeakPolarHBondContact CB-NE2 3.19Å; S824-H826 PolarHBondContact O-CD2 2.75Å; S824-H826 PolarHBondContact O-N 2.65Å; S824-H826 PolarHBondContact OG-CD2 2.9Å; S824-H826 PolarHBondContact OG-NE2 3.29Å; S824-K851 PolarHBondContact N-O 3.18Å; S824-K851 PolarHBondContact O-N 3.05Å; S824-L853 VanDerWaalsContact OG-CD2 3.31Å; S824-L853 WeakPolarHBondContact OG-CD2 3.42Å; S824-C864 PolarHBondContact O-SG 3.47Å |
| 825 | W | 84.4 | Confident | 64.7 | Low | 33 Ų | 33 | 71.4 Ų | 71.4 | 13% | 0.125 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 120.2 | 172 | -65.4 | 108 | 0 | 0 | 0 | 109.8 | V848 C850 N861 C864 E865 S868 K869 P870 | W825-V848 HydrophobicContact CE3-CB 4.08Å; W825-V848 HydrophobicContact CE3-CG2 3.88Å; W825-V848 HydrophobicContact CZ3-CG2 4.31Å; W825-C850 HydrophobicContact CE3-CB 4.34Å; W825-C850 HydrophobicContact CZ3-CB 4.11Å; W825-N861 HydrophobicContact CH2-CB 3.83Å; W825-N861 WeakPolarHBondContact CH2-O 3.14Å; W825-N861 HydrophobicContact CZ3-CB 4.22Å; W825-C864 HydrophobicContact CD2-CB 3.79Å; W825-C864 HydrophobicContact CE3-CB 4.32Å; W825-C864 HydrophobicContact CG-CB 4.27Å; W825-C864 HydrophobicContact CH2-CB 4.07Å; W825-C864 HydrophobicContact CZ2-CB 3.49Å; W825-C864 VanDerWaalsContact CZ2-CB 3.49Å; W825-C864 HydrophobicContact CZ3-CB 4.45Å; W825-E865 PolarHBondContact NE1-O 3.15Å; W825-S868 VanDerWaalsContact CD1-OG 3.24Å; W825-S868 PolarHBondContact NE1-OG 2.83Å; W825-K869 HydrophobicContact CD2-CB 4.32Å; W825-K869 HydrophobicContact CD2-CG 4.09Å; W825-K869 HydrophobicContact CE3-CG 4.31Å; W825-K869 HydrophobicContact CH2-CD 4.44Å; W825-K869 HydrophobicContact CH2-CG 4.31Å; W825-K869 HydrophobicContact CZ2-CB 4.04Å; W825-K869 HydrophobicContact CZ2-CG 4.08Å; W825-K869 HydrophobicContact CZ3-CG 4.42Å; W825-P870 HydrophobicContact CB-CG 3.87Å |
| 826 | H | 81.1 | Confident | 66 | Low | 82 Ų | 82 | 73.8 Ų | 73.8 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.8 | 173.8 | -75.9 | -97.4 | 0 | 0 | 0 | 110.4 | S824 P828 V849 K851 L853 | S824-H826 WeakPolarHBondContact CB-NE2 3.19Å; S824-H826 PolarHBondContact O-CD2 2.75Å; S824-H826 PolarHBondContact O-N 2.65Å; S824-H826 PolarHBondContact OG-CD2 2.9Å; S824-H826 PolarHBondContact OG-NE2 3.29Å; H826-P828 WeakPolarHBondContact O-CD 3.49Å; H826-V849 PolarHBondContact N-O 3.25Å; H826-V849 WeakPolarHBondContact O-CG2 3.37Å; H826-V849 PolarHBondContact O-N 2.84Å; H826-K851 HydrophobicContact CB-CD 3.88Å; H826-K851 HydrophobicContact CB-CG 4.19Å; H826-L853 WeakPolarHBondContact NE2-CD2 3.33Å |
| 827 | H | 80.2 | Confident | 67.2 | Low | 73 Ų | 73 | 72.9 Ų | 72.9 | 34% | 0.338 | 41% | 0.413 | S | S | . | . | trans | -74.8 | 119.1 | 163.8 | -68.5 | -72.8 | 0 | 0 | 0 | 108.6 | Q846 V848 N873 | H827-Q846 HydrophobicContact CB-CG 3.95Å; H827-V848 WeakPolarHBondContact CE1-CG1 3.49Å; H827-V848 WeakPolarHBondContact ND1-CG1 3.35Å; H827-N873 PolarHBondContact CE1-ND2 2.92Å; H827-N873 PolarHBondContact ND1-ND2 3.27Å | ||
| 828 | P | 76.1 | Confident | 68 | Low | 34 Ų | 34 | 70.9 Ų | 70.9 | 22% | 0.221 | 39% | 0.393 | C | S | . | . | trans | -71.3 | 178.7 | 173.1 | 33.1 | -35.3 | 0 | 0 | 0 | 110 | H826 W830 Q846 E847 V849 | H826-P828 WeakPolarHBondContact O-CD 3.49Å; P828-W830 PolarHBondContact O-N 2.86Å; P828-Q846 WeakPolarHBondContact O-CG 3.49Å; P828-Q846 PolarHBondContact O-NE2 2.87Å; P828-E847 WeakPolarHBondContact CD-O 3.28Å; P828-E847 WeakPolarHBondContact CG-O 3.36Å; P828-V849 HydrophobicContact CB-CG2 4.23Å; P828-V849 HydrophobicContact CG-CG1 4.39Å; P828-V849 HydrophobicContact CG-CG2 4.36Å | ||
| 829 | P | 77.7 | Confident | 68.6 | Low | 117 Ų | 117 | 68.7 Ų | 68.7 | 76% | 0.76 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -49 | 143.3 | 159.9 | -25.3 | 35.5 | 0 | 0 | 0 | 110.7 | S831 | P829-S831 PolarHBondContact O-N 3.14Š|
| 830 | W | 77 | Confident | 68.8 | Low | 74 Ų | 74 | 63.9 Ų | 63.9 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 137.6 | 172.1 | -72.2 | 99.4 | 0 | 0 | 0 | 110.6 | P828 Q844 Q846 N873 R875 | P828-W830 PolarHBondContact O-N 2.86Å; W830-Q844 HydrophobicContact CB-CB 3.91Å; W830-Q844 HydrophobicContact CB-CG 4.4Å; W830-Q844 HydrophobicContact CD2-CB 4.13Å; W830-Q844 HydrophobicContact CE3-CB 3.5Å; W830-Q844 HydrophobicContact CG-CB 4.34Å; W830-Q844 HydrophobicContact CZ3-CB 4.35Å; W830-Q844 VanDerWaalsContact CZ3-O 3.27Å; W830-Q844 WeakPolarHBondContact CZ3-O 3.23Å; W830-Q846 HydrophobicContact CD2-CB 4.15Å; W830-Q846 HydrophobicContact CD2-CG 4.28Å; W830-Q846 HydrophobicContact CE3-CB 3.68Å; W830-Q846 HydrophobicContact CE3-CG 4.3Å; W830-Q846 HydrophobicContact CH2-CB 4.26Å; W830-Q846 HydrophobicContact CZ3-CB 3.74Å; W830-N873 HydrophobicContact CH2-CB 3.6Å; W830-N873 HydrophobicContact CZ2-CB 4.4Å; W830-N873 HydrophobicContact CZ3-CB 4.09Å; W830-R875 HydrophobicContact CE3-CB 4.26Å; W830-R875 HydrophobicContact CH2-CB 3.41Å; W830-R875 VanDerWaalsContact CH2-CB 3.41Å; W830-R875 HydrophobicContact CH2-CG 4.5Å; W830-R875 HydrophobicContact CZ2-CB 4.03Å; W830-R875 HydrophobicContact CZ3-CB 3.55Å |
| 831 | S | 73.2 | Confident | 69.2 | Low | 46 Ų | 46 | 57.9 Ų | 57.9 | 32% | 0.322 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 159.8 | 174.1 | 74.6 | 0 | 0 | 0 | 0 | 111.4 | P829 C833 Q844 K845 | P829-S831 PolarHBondContact O-N 3.14Å; S831-C833 PolarHBondContact O-N 2.88Å; S831-Q844 WeakPolarHBondContact O-CG 2.96Å; S831-Q844 PolarHBondContact O-NE2 3.49Å; S831-Q844 WeakPolarHBondContact OG-CA 3.41Å; S831-K845 WeakPolarHBondContact CB-O 3.47Å; S831-K845 PolarHBondContact N-O 2.8Å; S831-K845 PolarHBondContact OG-N 2.88Å |
| 832 | E | 72.5 | Confident | 69.3 | Low | 177 Ų | 177 | 57 Ų | 57 | 83% | 0.827 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 145.2 | 162.2 | -70.6 | -57.5 | 151.7 | 0 | 0 | 110.5 | S834 | E832-S834 PolarHBondContact O-N 3.42Š|
| 833 | C | 73.3 | Confident | 69.3 | Low | 23 Ų | 23 | 56.8 Ų | 56.8 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -68 | 130.3 | -175.4 | -170 | 0 | 0 | 0 | 0 | 110.3 | S831 A835 Q844 C877 N878 | S831-C833 PolarHBondContact O-N 2.88Å; C833-A835 PolarHBondContact O-N 3.37Å; C833-A835 PolarHBondContact SG-O 3.35Å; C833-Q844 HydrophobicContact CB-CG 4.38Å; C833-C877 VanDerWaalsContact CA-SG 3.54Å; C833-C877 HydrophobicContact CB-CB 3.96Å; C833-C877 WeakPolarHBondContact CB-SG 3.41Å; C833-C877 WeakPolarHBondContact SG-CB 3.31Å; C833-C877 CovalentContact SG-SG 2.01Å; C833-C877 PolarHBondContact SG-SG 3.16Å; C833-N878 WeakPolarHBondContact CB-ND2 3.45Å; C833-N878 PolarHBondContact SG-ND2 3.2Å |
| 834 | S | 70.5 | Confident | 68.9 | Low | 81 Ų | 81 | 55.8 Ų | 55.8 | 57% | 0.566 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -63.5 | -12.4 | -176.9 | 66.1 | 0 | 0 | 0 | 0 | 114.7 | E832 A841 S843 | E832-S834 PolarHBondContact O-N 3.42Å; S834-A841 PolarHBondContact OG-O 3.49Å; S834-S843 PolarHBondContact OG-N 3.24Å |
| 835 | A | 61.6 | Low | 68.6 | Low | 22 Ų | 22 | 57.9 Ų | 57.9 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -138.8 | 142.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | C833 C837 N878 | C833-A835 PolarHBondContact O-N 3.37Å; C833-A835 PolarHBondContact SG-O 3.35Å; A835-C837 VanDerWaalsContact C-N 3.34Å; A835-N878 PolarHBondContact O-ND2 3.08Å |
| 836 | T | 65.1 | Low | 68.3 | Low | 126 Ų | 126 | 57.4 Ų | 57.4 | 77% | 0.773 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -77.9 | -17 | 180 | 44 | 0 | 0 | 0 | 0 | 113.9 | N878 | T836-N878 PolarHBondContact O-ND2 3.32Š|
| 837 | C | 63.8 | Low | 68 | Low | 23 Ų | 23 | 58.6 Ų | 58.6 | 16% | 0.155 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -168.8 | 175 | -179 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | A835 G839 C882 | A835-C837 VanDerWaalsContact C-N 3.34Å; C837-G839 PolarHBondContact O-N 3.1Å; C837-C882 VanDerWaalsContact C-SG 3.57Å; C837-C882 HydrophobicContact CB-CB 3.86Å; C837-C882 WeakPolarHBondContact CB-SG 3.27Å; C837-C882 WeakPolarHBondContact SG-CA 3.34Å; C837-C882 WeakPolarHBondContact SG-CB 3.41Å; C837-C882 CovalentContact SG-SG 2.04Å; C837-C882 PolarHBondContact SG-SG 2.68Å |
| 838 | A | 57.3 | Low | 68.1 | Low | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 29.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | V840 E880 C882 R912 | A838-V840 VanDerWaalsContact C-N 3.27Å; A838-V840 PolarHBondContact O-N 3.09Å; A838-E880 PolarHBondContact N-O 3.26Å; A838-C882 HydrophobicContact CB-CB 4.18Å; A838-C882 WeakPolarHBondContact CB-SG 3.42Å; A838-R912 HydrophobicContact CB-CB 3.44Å; A838-R912 VanDerWaalsContact CB-CB 3.44Å; A838-R912 VanDerWaalsContact CB-O 3.22Å; A838-R912 WeakPolarHBondContact CB-O 3.36Å |
| 839 | G | 57.2 | Low | 68.5 | Low | 33 Ų | 33 | 55.2 Ų | 55.2 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 24.6 | 158 | 0 | 0 | 0 | 0 | 0 | 116.9 | C837 A841 N878 | C837-G839 PolarHBondContact O-N 3.1Å; G839-A841 PolarHBondContact O-N 2.91Å; G839-N878 PolarHBondContact N-O 2.88Å |
| 840 | V | 51.2 | Low | 68.7 | Low | 73 Ų | 73 | 49.6 Ų | 49.6 | 44% | 0.442 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -74 | 63.6 | 173.7 | -166.9 | 0 | 0 | 0 | 0 | 110.2 | A838 G842 P915 | A838-V840 VanDerWaalsContact C-N 3.27Å; A838-V840 PolarHBondContact O-N 3.09Å; V840-G842 PolarHBondContact O-N 3Å; V840-G842 VanDerWaalsContact O-N 3.13Å; V840-P915 HydrophobicContact CG1-CB 4.36Å |
| 841 | A | 58.3 | Low | 68.7 | Low | 61 Ų | 61 | 48.3 Ų | 48.3 | 50% | 0.504 | 29% | 0.285 | S | S | . | . | trans | 39.8 | 52 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S834 G839 S843 | S834-A841 PolarHBondContact OG-O 3.49Å; G839-A841 PolarHBondContact O-N 2.91Å; A841-S843 VanDerWaalsContact C-N 3.34Å; A841-S843 WeakPolarHBondContact O-CB 3.34Å; A841-S843 PolarHBondContact O-N 3.07Å; A841-S843 PolarHBondContact O-OG 2.79Å | ||
| 842 | G | 55.5 | Low | 68.8 | Low | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | trans | -56.1 | 100.1 | 179 | 0 | 0 | 0 | 0 | 0 | 108.1 | V840 D876 C877 | V840-G842 PolarHBondContact O-N 3Å; V840-G842 VanDerWaalsContact O-N 3.13Å; G842-D876 CarbonylContact O-C 3.44Å; G842-D876 VanDerWaalsContact O-CA 3.23Å; G842-D876 WeakPolarHBondContact O-CA 3.24Å; G842-C877 PolarHBondContact O-N 3.48Å; G842-C877 PolarHBondContact O-SG 2.99Å | ||
| 843 | S | 65.1 | Low | 68.8 | Low | 30 Ų | 30 | 44.2 Ų | 44.2 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 102.9 | -167.5 | -66.5 | 0 | 0 | 0 | 0 | 107.1 | S834 A841 K845 | S834-S843 PolarHBondContact OG-N 3.24Å; A841-S843 VanDerWaalsContact C-N 3.34Å; A841-S843 WeakPolarHBondContact O-CB 3.34Å; A841-S843 PolarHBondContact O-N 3.07Å; A841-S843 PolarHBondContact O-OG 2.79Å; S843-K845 PolarHBondContact O-N 2.69Å |
| 844 | Q | 66.6 | Low | 68.6 | Low | 30 Ų | 30 | 46.6 Ų | 46.6 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 121.1 | 157.9 | -51.6 | -166.4 | -90.4 | 0 | 0 | 106.5 | W830 S831 C833 R875 C877 | W830-Q844 HydrophobicContact CB-CB 3.91Å; W830-Q844 HydrophobicContact CB-CG 4.4Å; W830-Q844 HydrophobicContact CD2-CB 4.13Å; W830-Q844 HydrophobicContact CE3-CB 3.5Å; W830-Q844 HydrophobicContact CG-CB 4.34Å; W830-Q844 HydrophobicContact CZ3-CB 4.35Å; W830-Q844 VanDerWaalsContact CZ3-O 3.27Å; W830-Q844 WeakPolarHBondContact CZ3-O 3.23Å; S831-Q844 WeakPolarHBondContact O-CG 2.96Å; S831-Q844 PolarHBondContact O-NE2 3.49Å; S831-Q844 WeakPolarHBondContact OG-CA 3.41Å; C833-Q844 HydrophobicContact CB-CG 4.38Å; Q844-R875 PolarHBondContact N-O 3.16Å; Q844-R875 VanDerWaalsContact N-O 3.1Å; Q844-R875 PolarHBondContact O-N 3.3Å; Q844-C877 HydrophobicContact CG-CB 3.76Å; Q844-C877 WeakPolarHBondContact CG-SG 3.42Å |
| 845 | K | 71.9 | Confident | 68.6 | Low | 74 Ų | 74 | 46.6 Ų | 46.6 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.9 | 174 | -161.4 | 179.7 | -179.3 | -155.9 | 0 | 108.2 | S831 S843 E847 E872 L874 | S831-K845 WeakPolarHBondContact CB-O 3.47Å; S831-K845 PolarHBondContact N-O 2.8Å; S831-K845 PolarHBondContact OG-N 2.88Å; S843-K845 PolarHBondContact O-N 2.69Å; K845-E847 HydrophobicContact CB-CG 4.48Å; K845-E847 HydrophobicContact CD-CG 3.56Å; K845-E847 WeakPolarHBondContact CD-OE1 3.13Å; K845-E847 WeakPolarHBondContact CE-OE1 3.49Å; K845-E847 HydrophobicContact CG-CG 3.77Å; K845-E847 IonicContact NZ-OE1 2.66Å; K845-E847 PolarHBondContact NZ-OE1 2.88Å; K845-E872 WeakPolarHBondContact CE-OE2 3.49Å; K845-E872 IonicContact NZ-OE2 3.74Å; K845-E872 PolarHBondContact NZ-OE2 3.41Å; K845-L874 HydrophobicContact CB-CD1 4.47Å; K845-L874 HydrophobicContact CG-CD1 4.15Å |
| 846 | Q | 78.9 | Confident | 68.8 | Low | 24 Ų | 24 | 49.6 Ų | 49.6 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 67.1 | 175.5 | -151.3 | 178.1 | 29.2 | 0 | 0 | 109.5 | H827 P828 W830 V848 N873 | H827-Q846 HydrophobicContact CB-CG 3.95Å; P828-Q846 WeakPolarHBondContact O-CG 3.49Å; P828-Q846 PolarHBondContact O-NE2 2.87Å; W830-Q846 HydrophobicContact CD2-CB 4.15Å; W830-Q846 HydrophobicContact CD2-CG 4.28Å; W830-Q846 HydrophobicContact CE3-CB 3.68Å; W830-Q846 HydrophobicContact CE3-CG 4.3Å; W830-Q846 HydrophobicContact CH2-CB 4.26Å; W830-Q846 HydrophobicContact CZ3-CB 3.74Å; Q846-V848 PolarHBondContact O-N 3.08Å; Q846-N873 HydrophobicContact CB-CB 4.03Å; Q846-N873 PolarHBondContact N-O 3.14Å; Q846-N873 PolarHBondContact OE1-ND2 3.15Å |
| 847 | E | 75.6 | Confident | 69.1 | Low | 106 Ų | 106 | 45.7 Ų | 45.7 | 50% | 0.495 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 123.9 | 177 | -60.3 | -164.9 | 144.9 | 0 | 0 | 109.9 | P828 K845 V849 | P828-E847 WeakPolarHBondContact CD-O 3.28Å; P828-E847 WeakPolarHBondContact CG-O 3.36Å; K845-E847 HydrophobicContact CB-CG 4.48Å; K845-E847 HydrophobicContact CD-CG 3.56Å; K845-E847 WeakPolarHBondContact CD-OE1 3.13Å; K845-E847 WeakPolarHBondContact CE-OE1 3.49Å; K845-E847 HydrophobicContact CG-CG 3.77Å; K845-E847 IonicContact NZ-OE1 2.66Å; K845-E847 PolarHBondContact NZ-OE1 2.88Å; E847-V849 PolarHBondContact O-N 3.01Å |
| 848 | V | 82.3 | Confident | 69.6 | Low | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 125.7 | 177.5 | -69.9 | 0 | 0 | 0 | 0 | 109.8 | W825 H827 Q846 K869 P870 | W825-V848 HydrophobicContact CE3-CB 4.08Å; W825-V848 HydrophobicContact CE3-CG2 3.88Å; W825-V848 HydrophobicContact CZ3-CG2 4.31Å; H827-V848 WeakPolarHBondContact CE1-CG1 3.49Å; H827-V848 WeakPolarHBondContact ND1-CG1 3.35Å; Q846-V848 PolarHBondContact O-N 3.08Å; V848-K869 HydrophobicContact CG2-CD 4.06Å; V848-K869 HydrophobicContact CG2-CG 3.61Å; V848-P870 HydrophobicContact CG1-CB 4.09Å; V848-P870 HydrophobicContact CG1-CG 4.16Å |
| 849 | V | 83.5 | Confident | 70.6 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 137.8 | 176 | -67 | 0 | 0 | 0 | 0 | 109.2 | H826 P828 E847 K851 V858 | H826-V849 PolarHBondContact N-O 3.25Å; H826-V849 WeakPolarHBondContact O-CG2 3.37Å; H826-V849 PolarHBondContact O-N 2.84Å; P828-V849 HydrophobicContact CB-CG2 4.23Å; P828-V849 HydrophobicContact CG-CG1 4.39Å; P828-V849 HydrophobicContact CG-CG2 4.36Å; E847-V849 PolarHBondContact O-N 3.01Å; V849-K851 HydrophobicContact CG2-CG 4.17Å; V849-K851 PolarHBondContact O-N 2.59Å; V849-V858 HydrophobicContact CB-CG1 4.02Å; V849-V858 HydrophobicContact CB-CG2 4.41Å; V849-V858 HydrophobicContact CG1-CG1 4.34Å; V849-V858 HydrophobicContact CG2-CG2 4.12Å |
| 850 | C | 81.6 | Confident | 71.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 126.6 | 168.3 | -173.2 | 0 | 0 | 0 | 0 | 109.1 | W825 V859 C864 | W825-C850 HydrophobicContact CE3-CB 4.34Å; W825-C850 HydrophobicContact CZ3-CB 4.11Å; C850-V859 HydrophobicContact CB-CG2 4.02Å; C850-V859 PolarHBondContact O-N 3.01Å; C850-V859 VanDerWaalsContact SG-CG2 3.53Å; C850-C864 WeakPolarHBondContact CA-SG 3.3Å; C850-C864 HydrophobicContact CB-CB 3.79Å; C850-C864 WeakPolarHBondContact CB-SG 3.07Å; C850-C864 WeakPolarHBondContact SG-CB 3.34Å; C850-C864 PolarHBondContact SG-N 3.27Å; C850-C864 CovalentContact SG-SG 2.03Å; C850-C864 PolarHBondContact SG-SG 2.98Å |
| 851 | K | 78.5 | Confident | 72.2 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 147.7 | 174.2 | -72.2 | -169.3 | 168.7 | -129.9 | 0 | 111.9 | F823 S824 H826 V849 N856 S857 V858 | F823-K851 WeakPolarHBondContact CA-O 3.36Å; S824-K851 PolarHBondContact N-O 3.18Å; S824-K851 PolarHBondContact O-N 3.05Å; H826-K851 HydrophobicContact CB-CD 3.88Å; H826-K851 HydrophobicContact CB-CG 4.19Å; V849-K851 HydrophobicContact CG2-CG 4.17Å; V849-K851 PolarHBondContact O-N 2.59Å; K851-N856 PolarHBondContact NZ-O 3.02Å; K851-S857 VanDerWaalsContact CA-O 3.25Å; K851-S857 WeakPolarHBondContact CA-O 3.13Å; K851-S857 WeakPolarHBondContact CB-O 3.5Å; K851-V858 HydrophobicContact CG-CG2 4.24Å |
| 852 | R | 74.1 | Confident | 72.6 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 17% | 0.17 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.8 | 173.3 | -156.6 | 172 | 71.7 | 152.1 | 8.5 | 110 | D818 V821 F823 D854 D855 N856 S857 V859 | D818-R852 IonicContact OD1-NH1 3.44Å; V821-R852 HydrophobicContact CG1-CG 3.47Å; V821-R852 VanDerWaalsContact CG1-CG 3.47Å; F823-R852 HydrophobicContact CD1-CB 4.18Å; F823-R852 HydrophobicContact CD1-CG 3.98Å; F823-R852 HydrophobicContact CE1-CB 4.08Å; F823-R852 HydrophobicContact CE1-CG 3.55Å; F823-R852 HydrophobicContact CZ-CG 4.24Å; R852-D854 VanDerWaalsContact C-N 3.35Å; R852-D854 WeakPolarHBondContact CG-OD1 3.29Å; R852-D854 IonicContact CZ-OD1 3.95Å; R852-D854 VanDerWaalsContact CZ-OD1 3.29Å; R852-D854 IonicContact CZ-OD2 2.72Å; R852-D854 IonicContact NE-OD1 3.22Å; R852-D854 PolarHBondContact NE-OD1 3.11Å; R852-D854 IonicContact NE-OD2 2.71Å; R852-D854 PolarHBondContact NE-OD2 2.86Å; R852-D854 IonicContact NH1-OD2 3.98Å; R852-D854 IonicContact NH2-OD1 2.94Å; R852-D854 PolarHBondContact NH2-OD1 2.75Å; R852-D854 IonicContact NH2-OD2 2.93Å; R852-D854 PolarHBondContact NH2-OD2 3.2Å; R852-D854 PolarHBondContact O-N 3.3Å; R852-D855 IonicContact CZ-OD2 3.43Å; R852-D855 IonicContact NE-OD1 2.75Å; R852-D855 IonicContact NE-OD2 3.47Å; R852-D855 IonicContact NH2-OD2 3.89Å; R852-D855 PolarHBondContact NH2-OD2 3.28Å; R852-N856 VanDerWaalsContact O-CA 3.31Å; R852-N856 WeakPolarHBondContact O-CA 3.48Å; R852-N856 PolarHBondContact O-N 3.06Å; R852-S857 PolarHBondContact N-O 3.4Å; R852-S857 VanDerWaalsContact N-O 3.16Å; R852-V859 HydrophobicContact CB-CG1 4.22Å |
| 853 | L | 73.4 | Confident | 73.3 | Confident | 93 Ų | 93 | 63.2 Ų | 63.2 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -15.9 | -170.3 | -77.4 | 173.7 | 0 | 0 | 0 | 115.1 | G822 S824 H826 | G822-L853 VanDerWaalsContact O-CB 3.23Å; G822-L853 WeakPolarHBondContact O-CB 3.47Å; G822-L853 WeakPolarHBondContact O-CD1 3.01Å; G822-L853 WeakPolarHBondContact O-CG 3.37Å; G822-L853 PolarHBondContact O-N 2.86Å; G822-L853 VanDerWaalsContact O-N 3.09Å; S824-L853 VanDerWaalsContact OG-CD2 3.31Å; S824-L853 WeakPolarHBondContact OG-CD2 3.42Å; H826-L853 WeakPolarHBondContact NE2-CD2 3.33Å |
| 854 | D | 68.5 | Low | 73.9 | Confident | 73 Ų | 73 | 61.9 Ų | 61.9 | 39% | 0.39 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -40.4 | -178.6 | 65.4 | -17.6 | 0 | 0 | 0 | 113.2 | S816 V821 R852 | S816-D854 PolarHBondContact OG-OD2 3.27Å; V821-D854 HydrophobicContact CG1-CB 3.84Å; V821-D854 HydrophobicContact CG2-CB 4.17Å; R852-D854 VanDerWaalsContact C-N 3.35Å; R852-D854 WeakPolarHBondContact CG-OD1 3.29Å; R852-D854 IonicContact CZ-OD1 3.95Å; R852-D854 VanDerWaalsContact CZ-OD1 3.29Å; R852-D854 IonicContact CZ-OD2 2.72Å; R852-D854 IonicContact NE-OD1 3.22Å; R852-D854 PolarHBondContact NE-OD1 3.11Å; R852-D854 IonicContact NE-OD2 2.71Å; R852-D854 PolarHBondContact NE-OD2 2.86Å; R852-D854 IonicContact NH1-OD2 3.98Å; R852-D854 IonicContact NH2-OD1 2.94Å; R852-D854 PolarHBondContact NH2-OD1 2.75Å; R852-D854 IonicContact NH2-OD2 2.93Å; R852-D854 PolarHBondContact NH2-OD2 3.2Å; R852-D854 PolarHBondContact O-N 3.3Å |
| 855 | D | 71.6 | Confident | 74.4 | Confident | 81 Ų | 81 | 66.8 Ų | 66.8 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -2.5 | -173.3 | 63.3 | 18.8 | 0 | 0 | 0 | 114.8 | R852 S857 | R852-D855 IonicContact CZ-OD2 3.43Å; R852-D855 IonicContact NE-OD1 2.75Å; R852-D855 IonicContact NE-OD2 3.47Å; R852-D855 IonicContact NH2-OD2 3.89Å; R852-D855 PolarHBondContact NH2-OD2 3.28Å; D855-S857 PolarHBondContact O-N 3.18Å; D855-S857 WeakPolarHBondContact OD1-CB 3.28Å; D855-S857 PolarHBondContact OD1-N 2.9Å; D855-S857 PolarHBondContact OD1-OG 2.75Å; D855-S857 PolarHBondContact OD2-OG 2.94Å |
| 856 | N | 65.4 | Low | 74.5 | Confident | 85 Ų | 85 | 67.5 Ų | 67.5 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | trans | 57.8 | 18.8 | -173.7 | -77.5 | -83.6 | 0 | 0 | 0 | 114.8 | K851 R852 | K851-N856 PolarHBondContact NZ-O 3.02Å; R852-N856 VanDerWaalsContact O-CA 3.31Å; R852-N856 WeakPolarHBondContact O-CA 3.48Å; R852-N856 PolarHBondContact O-N 3.06Å | ||
| 857 | S | 69.8 | Low | 74.1 | Confident | 44 Ų | 44 | 74.3 Ų | 74.3 | 31% | 0.308 | 39% | 0.392 | S | S | . | . | trans | -64 | 152.5 | 171 | 65.6 | 0 | 0 | 0 | 0 | 111.3 | K851 R852 D855 | K851-S857 VanDerWaalsContact CA-O 3.25Å; K851-S857 WeakPolarHBondContact CA-O 3.13Å; K851-S857 WeakPolarHBondContact CB-O 3.5Å; R852-S857 PolarHBondContact N-O 3.4Å; R852-S857 VanDerWaalsContact N-O 3.16Å; D855-S857 PolarHBondContact O-N 3.18Å; D855-S857 WeakPolarHBondContact OD1-CB 3.28Å; D855-S857 PolarHBondContact OD1-N 2.9Å; D855-S857 PolarHBondContact OD1-OG 2.75Å; D855-S857 PolarHBondContact OD2-OG 2.94Å | ||
| 858 | V | 76.1 | Confident | 74.1 | Confident | 91 Ų | 91 | 72.5 Ų | 72.5 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | B | Isolated β-bridge | trans | -89 | 126.9 | 173.9 | 175.9 | 0 | 0 | 0 | 0 | 108.1 | V849 K851 | V849-V858 HydrophobicContact CB-CG1 4.02Å; V849-V858 HydrophobicContact CB-CG2 4.41Å; V849-V858 HydrophobicContact CG1-CG1 4.34Å; V849-V858 HydrophobicContact CG2-CG2 4.12Å; K851-V858 HydrophobicContact CG-CG2 4.24Å |
| 859 | V | 76.6 | Confident | 74 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 21% | 0.212 | 41% | 0.408 | C | S | . | . | trans | -117.3 | 174.9 | 178.7 | -62 | 0 | 0 | 0 | 0 | 110.1 | F823 C850 R852 Y863 | F823-V859 HydrophobicContact CD1-CG2 3.89Å; F823-V859 HydrophobicContact CE1-CG2 4.16Å; C850-V859 HydrophobicContact CB-CG2 4.02Å; C850-V859 PolarHBondContact O-N 3.01Å; C850-V859 VanDerWaalsContact SG-CG2 3.53Å; R852-V859 HydrophobicContact CB-CG1 4.22Å; V859-Y863 HydrophobicContact CB-CD2 4.4Å; V859-Y863 HydrophobicContact CG2-CD2 4.46Å; V859-Y863 HydrophobicContact CG2-CG 4.31Å | ||
| 860 | Q | 69.1 | Low | 73.8 | Confident | 137 Ų | 137 | 76.7 Ų | 76.7 | 64% | 0.64 | 41% | 0.41 | S | S | * | . | trans | -64.7 | 148.2 | 178 | -65.1 | -174.8 | -0.9 | 0 | 0 | 111.4 | S862 Y863 | Q860-S862 WeakPolarHBondContact CB-OG 3.46Å; Q860-S862 PolarHBondContact O-N 2.82Å; Q860-Y863 HydrophobicContact CB-CD2 3.99Å; Q860-Y863 HydrophobicContact CB-CE2 4.13Å; Q860-Y863 WeakPolarHBondContact O-CD2 3.04Å; Q860-Y863 PolarHBondContact O-N 3.11Å; Q860-Y863 VanDerWaalsContact O-N 3.07Å | ||
| 861 | N | 73.6 | Confident | 73.4 | Confident | 90 Ų | 90 | 81.7 Ų | 81.7 | 48% | 0.481 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -60.7 | -14.7 | -179.7 | -76.5 | -4.4 | 0 | 0 | 0 | 114.3 | W825 Y863 | W825-N861 HydrophobicContact CH2-CB 3.83Å; W825-N861 WeakPolarHBondContact CH2-O 3.14Å; W825-N861 HydrophobicContact CZ3-CB 4.22Å; N861-Y863 VanDerWaalsContact C-N 3.31Å |
| 862 | S | 66.3 | Low | 73 | Confident | 89 Ų | 89 | 83.3 Ų | 83.3 | 62% | 0.622 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -71.8 | -16.4 | 174.3 | 42.1 | 0 | 0 | 0 | 0 | 114.8 | Q860 | Q860-S862 WeakPolarHBondContact CB-OG 3.46Å; Q860-S862 PolarHBondContact O-N 2.82Å |
| 863 | Y | 70.4 | Confident | 73.1 | Confident | 119 Ų | 119 | 83.9 Ų | 83.9 | 47% | 0.467 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -86 | -12.4 | 179.5 | -71.5 | -97.6 | 0 | 0 | 0 | 113.3 | F823 V859 Q860 N861 | F823-Y863 WeakPolarHBondContact CB-O 3.29Å; F823-Y863 HydrophobicContact CD1-CG 4.49Å; F823-Y863 WeakPolarHBondContact CD2-O 3.47Å; F823-Y863 AromaticContact CE1-CD1 3.85Å; F823-Y863 HydrophobicContact CE1-CD1 3.85Å; F823-Y863 HydrophobicContact CE1-CG 4.2Å; F823-Y863 HydrophobicContact CE2-CD1 4.2Å; F823-Y863 WeakPolarHBondContact CG-O 3.45Å; F823-Y863 AromaticContact CZ-CD1 3.69Å; F823-Y863 HydrophobicContact CZ-CD1 3.69Å; F823-Y863 HydrophobicContact CZ-CE1 4.47Å; F823-Y863 HydrophobicContact CZ-CG 4.44Å; V859-Y863 HydrophobicContact CB-CD2 4.4Å; V859-Y863 HydrophobicContact CG2-CD2 4.46Å; V859-Y863 HydrophobicContact CG2-CG 4.31Å; Q860-Y863 HydrophobicContact CB-CD2 3.99Å; Q860-Y863 HydrophobicContact CB-CE2 4.13Å; Q860-Y863 WeakPolarHBondContact O-CD2 3.04Å; Q860-Y863 PolarHBondContact O-N 3.11Å; Q860-Y863 VanDerWaalsContact O-N 3.07Å; N861-Y863 VanDerWaalsContact C-N 3.31Å |
| 864 | C | 77.8 | Confident | 72.8 | Confident | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.014 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -108.9 | 137.8 | 178 | -72 | 0 | 0 | 0 | 0 | 110.6 | S824 W825 C850 P866 | S824-C864 PolarHBondContact O-SG 3.47Å; W825-C864 HydrophobicContact CD2-CB 3.79Å; W825-C864 HydrophobicContact CE3-CB 4.32Å; W825-C864 HydrophobicContact CG-CB 4.27Å; W825-C864 HydrophobicContact CH2-CB 4.07Å; W825-C864 HydrophobicContact CZ2-CB 3.49Å; W825-C864 VanDerWaalsContact CZ2-CB 3.49Å; W825-C864 HydrophobicContact CZ3-CB 4.45Å; C850-C864 WeakPolarHBondContact CA-SG 3.3Å; C850-C864 HydrophobicContact CB-CB 3.79Å; C850-C864 WeakPolarHBondContact CB-SG 3.07Å; C850-C864 WeakPolarHBondContact SG-CB 3.34Å; C850-C864 PolarHBondContact SG-N 3.27Å; C850-C864 CovalentContact SG-SG 2.03Å; C850-C864 PolarHBondContact SG-SG 2.98Å; C864-P866 WeakPolarHBondContact O-CD 3.34Å |
| 865 | E | 77.8 | Confident | 73 | Confident | 132 Ų | 132 | 87.2 Ų | 87.2 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | trans | -57.1 | 118.3 | -176.6 | -167.7 | 69.7 | -93.3 | 0 | 0 | 111.5 | W825 D867 S868 | W825-E865 PolarHBondContact NE1-O 3.15Å; E865-D867 VanDerWaalsContact C-N 3.35Å; E865-D867 PolarHBondContact O-N 2.91Å; E865-S868 PolarHBondContact O-N 2.86Å; E865-S868 PolarHBondContact O-OG 2.6Å | ||
| 866 | P | 73.3 | Confident | 72.9 | Confident | 90 Ų | 90 | 89.6 Ų | 89.6 | 58% | 0.584 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -60.8 | -39.1 | -172.3 | -27.2 | 36.3 | 0 | 0 | 0 | 113.8 | C864 S868 K869 | C864-P866 WeakPolarHBondContact O-CD 3.34Å; P866-S868 PolarHBondContact O-N 2.88Å; P866-K869 WeakPolarHBondContact O-CB 3.33Å; P866-K869 PolarHBondContact O-N 2.86Å |
| 867 | D | 72 | Confident | 73.1 | Confident | 166 Ų | 166 | 86.1 Ų | 86.1 | 89% | 0.888 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -67.8 | -14.2 | 179.3 | -70 | -14.5 | 0 | 0 | 0 | 113 | E865 | E865-D867 VanDerWaalsContact C-N 3.35Å; E865-D867 PolarHBondContact O-N 2.91Å |
| 868 | S | 75.4 | Confident | 72.9 | Confident | 68 Ų | 68 | 87.1 Ų | 87.1 | 48% | 0.476 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -94 | -1.1 | 174.1 | 76.8 | 0 | 0 | 0 | 0 | 114 | W825 E865 P866 P870 | W825-S868 VanDerWaalsContact CD1-OG 3.24Å; W825-S868 PolarHBondContact NE1-OG 2.83Å; E865-S868 PolarHBondContact O-N 2.86Å; E865-S868 PolarHBondContact O-OG 2.6Å; P866-S868 PolarHBondContact O-N 2.88Å; S868-P870 VanDerWaalsContact O-CD 3.27Å; S868-P870 WeakPolarHBondContact O-CD 3.32Å |
| 869 | K | 78.8 | Confident | 72.3 | Confident | 87 Ų | 87 | 87.6 Ų | 87.6 | 38% | 0.378 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 117.8 | -176 | -171.4 | -171.3 | 171.4 | -166.6 | 0 | 110.9 | W825 V848 P866 E872 | W825-K869 HydrophobicContact CD2-CB 4.32Å; W825-K869 HydrophobicContact CD2-CG 4.09Å; W825-K869 HydrophobicContact CE3-CG 4.31Å; W825-K869 HydrophobicContact CH2-CD 4.44Å; W825-K869 HydrophobicContact CH2-CG 4.31Å; W825-K869 HydrophobicContact CZ2-CB 4.04Å; W825-K869 HydrophobicContact CZ2-CG 4.08Å; W825-K869 HydrophobicContact CZ3-CG 4.42Å; V848-K869 HydrophobicContact CG2-CD 4.06Å; V848-K869 HydrophobicContact CG2-CG 3.61Å; P866-K869 WeakPolarHBondContact O-CB 3.33Å; P866-K869 PolarHBondContact O-N 2.86Å; K869-E872 IonicContact NZ-OE1 3.91Å; K869-E872 PolarHBondContact NZ-OE1 2.8Å |
| 870 | P | 79.1 | Confident | 71.7 | Confident | 37 Ų | 37 | 92.8 Ų | 92.8 | 24% | 0.24 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 152.7 | 174.5 | -16.8 | 29.2 | 0 | 0 | 0 | 111.4 | W825 V848 S868 | W825-P870 HydrophobicContact CB-CG 3.87Å; V848-P870 HydrophobicContact CG1-CB 4.09Å; V848-P870 HydrophobicContact CG1-CG 4.16Å; S868-P870 VanDerWaalsContact O-CD 3.27Å; S868-P870 WeakPolarHBondContact O-CD 3.32Å |
| 871 | P | 74.2 | Confident | 71.5 | Confident | 105 Ų | 105 | 88.4 Ų | 88.4 | 68% | 0.682 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 146.4 | 171.7 | 27.3 | -34.7 | 0 | 0 | 0 | 110.9 | N873 | P871-N873 PolarHBondContact O-N 3.03Š|
| 872 | E | 69.3 | Low | 71.5 | Confident | 81 Ų | 81 | 85.1 Ų | 85.1 | 38% | 0.379 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 117.5 | 179.1 | -69.6 | 168.5 | -158.9 | 0 | 0 | 109.5 | K845 K869 | K845-E872 WeakPolarHBondContact CE-OE2 3.49Å; K845-E872 IonicContact NZ-OE2 3.74Å; K845-E872 PolarHBondContact NZ-OE2 3.41Å; K869-E872 IonicContact NZ-OE1 3.91Å; K869-E872 PolarHBondContact NZ-OE1 2.8Å |
| 873 | N | 76.8 | Confident | 71.9 | Confident | 57 Ų | 57 | 85.3 Ų | 85.3 | 31% | 0.305 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 133.5 | 179.9 | -56.2 | -40.6 | 0 | 0 | 0 | 110 | H827 W830 Q846 P871 | H827-N873 PolarHBondContact CE1-ND2 2.92Å; H827-N873 PolarHBondContact ND1-ND2 3.27Å; W830-N873 HydrophobicContact CH2-CB 3.6Å; W830-N873 HydrophobicContact CZ2-CB 4.4Å; W830-N873 HydrophobicContact CZ3-CB 4.09Å; Q846-N873 HydrophobicContact CB-CB 4.03Å; Q846-N873 PolarHBondContact N-O 3.14Å; Q846-N873 PolarHBondContact OE1-ND2 3.15Å; P871-N873 PolarHBondContact O-N 3.03Å |
| 874 | L | 67.8 | Low | 72.1 | Confident | 114 Ų | 114 | 81.3 Ų | 81.3 | 60% | 0.597 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.8 | 168.5 | -141.6 | 79.6 | 0 | 0 | 0 | 108.5 | K845 | K845-L874 HydrophobicContact CB-CD1 4.47Å; K845-L874 HydrophobicContact CG-CD1 4.15Å |
| 875 | R | 72.4 | Confident | 72.2 | Confident | 122 Ų | 122 | 87.6 Ų | 87.6 | 46% | 0.46 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 135.2 | 173.5 | -173.4 | -174.7 | 71.4 | 167.3 | 1 | 111.3 | W830 Q844 | W830-R875 HydrophobicContact CE3-CB 4.26Å; W830-R875 HydrophobicContact CH2-CB 3.41Å; W830-R875 VanDerWaalsContact CH2-CB 3.41Å; W830-R875 HydrophobicContact CH2-CG 4.5Å; W830-R875 HydrophobicContact CZ2-CB 4.03Å; W830-R875 HydrophobicContact CZ3-CB 3.55Å; Q844-R875 PolarHBondContact N-O 3.16Å; Q844-R875 VanDerWaalsContact N-O 3.1Å; Q844-R875 PolarHBondContact O-N 3.3Å |
| 876 | D | 69.3 | Low | 72.4 | Confident | 130 Ų | 130 | 82.8 Ų | 82.8 | 70% | 0.695 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 134.2 | 172.3 | -55.5 | -64.3 | 0 | 0 | 0 | 111.8 | G842 | G842-D876 CarbonylContact O-C 3.44Å; G842-D876 VanDerWaalsContact O-CA 3.23Å; G842-D876 WeakPolarHBondContact O-CA 3.24Å |
| 877 | C | 69.4 | Low | 72.9 | Confident | 13 Ų | 13 | 82.6 Ų | 82.6 | 9% | 0.088 | 44% | 0.44 | C | S | . | . | trans | -135.4 | 159.1 | 177.1 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | C833 G842 Q844 | C833-C877 VanDerWaalsContact CA-SG 3.54Å; C833-C877 HydrophobicContact CB-CB 3.96Å; C833-C877 WeakPolarHBondContact CB-SG 3.41Å; C833-C877 WeakPolarHBondContact SG-CB 3.31Å; C833-C877 CovalentContact SG-SG 2.01Å; C833-C877 PolarHBondContact SG-SG 3.16Å; G842-C877 PolarHBondContact O-N 3.48Å; G842-C877 PolarHBondContact O-SG 2.99Å; Q844-C877 HydrophobicContact CG-CB 3.76Å; Q844-C877 WeakPolarHBondContact CG-SG 3.42Å | ||
| 878 | N | 66.3 | Low | 73.4 | Confident | 65 Ų | 65 | 78.6 Ų | 78.6 | 35% | 0.348 | 42% | 0.418 | S | S | . | . | trans | 50.5 | 57.3 | -179.2 | -57.1 | -21.6 | 0 | 0 | 0 | 114.2 | C833 A835 T836 G839 E880 | C833-N878 WeakPolarHBondContact CB-ND2 3.45Å; C833-N878 PolarHBondContact SG-ND2 3.2Å; A835-N878 PolarHBondContact O-ND2 3.08Å; T836-N878 PolarHBondContact O-ND2 3.32Å; G839-N878 PolarHBondContact N-O 2.88Å; N878-E880 PolarHBondContact O-N 2.95Å | ||
| 879 | P | 62.2 | Low | 73.5 | Confident | 100 Ų | 100 | 76 Ų | 76 | 65% | 0.649 | 40% | 0.402 | S | S | * | . | trans | -72.5 | -15.2 | 176.3 | 33.7 | -37.7 | 0 | 0 | 0 | 113.1 | ||||
| 880 | E | 65.5 | Low | 73.8 | Confident | 144 Ų | 144 | 80.1 Ų | 80.1 | 67% | 0.673 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -63.1 | 135.9 | 177.3 | -67.1 | -59.9 | 146.7 | 0 | 0 | 111 | A838 N878 | A838-E880 PolarHBondContact N-O 3.26Å; N878-E880 PolarHBondContact O-N 2.95Å |
| 881 | P | 64.4 | Low | 73.8 | Confident | 45 Ų | 45 | 80.6 Ų | 80.6 | 29% | 0.292 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 147.3 | 170.6 | -30.2 | 37.7 | 0 | 0 | 0 | 112.6 | R911 R912 I913 | P881-R911 HydrophobicContact CB-CG 3.8Å; P881-R912 WeakPolarHBondContact CA-O 3.33Å; P881-I913 HydrophobicContact CB-CG2 4.13Å; P881-I913 HydrophobicContact CG-CG2 4.21Å |
| 882 | C | 72.2 | Confident | 74 | Confident | 21 Ų | 21 | 77.9 Ų | 77.9 | 14% | 0.142 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 152.6 | 179.9 | -77.6 | 0 | 0 | 0 | 0 | 112.4 | C837 A838 R911 R912 | C837-C882 VanDerWaalsContact C-SG 3.57Å; C837-C882 HydrophobicContact CB-CB 3.86Å; C837-C882 WeakPolarHBondContact CB-SG 3.27Å; C837-C882 WeakPolarHBondContact SG-CA 3.34Å; C837-C882 WeakPolarHBondContact SG-CB 3.41Å; C837-C882 CovalentContact SG-SG 2.04Å; C837-C882 PolarHBondContact SG-SG 2.68Å; A838-C882 HydrophobicContact CB-CB 4.18Å; A838-C882 WeakPolarHBondContact CB-SG 3.42Å; C882-R911 WeakPolarHBondContact O-CG 3.23Å; C882-R912 HydrophobicContact CB-CB 4.37Å; C882-R912 PolarHBondContact N-O 3.38Å |
| 883 | P | 75 | Confident | 74.4 | Confident | 94 Ų | 94 | 83 Ų | 83 | 61% | 0.61 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -48.4 | 131.1 | 158.7 | -23.5 | 34.3 | 0 | 0 | 0 | 108.5 | E885 | P883-E885 PolarHBondContact O-N 3.45Š|
| 884 | P | 75.1 | Confident | 74.6 | Confident | 34 Ų | 34 | 81.6 Ų | 81.6 | 22% | 0.221 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 132.7 | -175.2 | 28 | -33.6 | 0 | 0 | 0 | 110.4 | I910 R911 L921 F925 C926 | P884-I910 CarbonylContact C-O 3.36Å; P884-I910 WeakPolarHBondContact CA-O 3.43Å; P884-R911 HydrophobicContact CB-CB 4.24Å; P884-L921 HydrophobicContact CB-CD1 3.9Å; P884-L921 HydrophobicContact CG-CD1 4.26Å; P884-F925 HydrophobicContact CG-CB 3.89Å; P884-F925 WeakPolarHBondContact CG-O 3.34Å; P884-C926 VanDerWaalsContact C-SG 3.5Å; P884-C926 PolarHBondContact O-SG 2.91Å |
| 885 | E | 79.6 | Confident | 74.9 | Confident | 135 Ų | 135 | 79.4 Ų | 79.4 | 63% | 0.631 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 156.9 | -175.8 | -67.2 | -168.6 | 144.7 | 0 | 0 | 110.7 | P883 F887 I910 | P883-E885 PolarHBondContact O-N 3.45Å; E885-F887 PolarHBondContact O-N 3.46Å; E885-F887 VanDerWaalsContact O-N 3.14Å; E885-I910 PolarHBondContact N-O 3.02Å; E885-I910 PolarHBondContact O-N 3.45Å |
| 886 | W | 83.1 | Confident | 74.8 | Confident | 30 Ų | 30 | 78.5 Ų | 78.5 | 11% | 0.114 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 107.1 | 175.7 | -66.5 | 109.5 | 0 | 0 | 0 | 110.5 | I888 V907 L908 C909 D923 C926 T928 R930 P931 | W886-I888 PolarHBondContact O-N 3.2Å; W886-V907 HydrophobicContact CD2-CG1 4.31Å; W886-V907 HydrophobicContact CE3-CG1 3.61Å; W886-V907 HydrophobicContact CZ3-CG1 4.09Å; W886-L908 CarbonylContact C-O 3.56Å; W886-C909 HydrophobicContact CE3-CB 4.21Å; W886-C909 HydrophobicContact CH2-CB 4.35Å; W886-C909 HydrophobicContact CZ3-CB 3.89Å; W886-D923 HydrophobicContact CH2-CB 3.73Å; W886-D923 WeakPolarHBondContact CH2-OD1 3.42Å; W886-D923 HydrophobicContact CZ3-CB 4.39Å; W886-D923 WeakPolarHBondContact CZ3-OD1 3.31Å; W886-C926 HydrophobicContact CD2-CB 3.8Å; W886-C926 HydrophobicContact CE3-CB 4.33Å; W886-C926 HydrophobicContact CG-CB 4.28Å; W886-C926 HydrophobicContact CH2-CB 4.05Å; W886-C926 HydrophobicContact CZ2-CB 3.47Å; W886-C926 VanDerWaalsContact CZ2-CB 3.47Å; W886-C926 HydrophobicContact CZ3-CB 4.44Å; W886-T928 VanDerWaalsContact CD1-OG1 3.22Å; W886-T928 PolarHBondContact NE1-O 2.9Å; W886-T928 PolarHBondContact NE1-OG1 2.96Å; W886-R930 HydrophobicContact CD2-CG 4.34Å; W886-R930 HydrophobicContact CE3-CG 4.12Å; W886-R930 HydrophobicContact CH2-CB 3.83Å; W886-R930 VanDerWaalsContact CH2-CD 3.43Å; W886-R930 HydrophobicContact CH2-CG 3.46Å; W886-R930 VanDerWaalsContact CH2-CG 3.46Å; W886-R930 HydrophobicContact CZ2-CB 3.55Å; W886-R930 HydrophobicContact CZ2-CG 3.71Å; W886-R930 HydrophobicContact CZ3-CB 4.46Å; W886-R930 HydrophobicContact CZ3-CG 3.68Å; W886-P931 HydrophobicContact CB-CG 3.65Å; W886-P931 VanDerWaalsContact CD1-CD 3.45Å; W886-P931 HydrophobicContact CG-CG 3.82Å |
| 887 | F | 82.8 | Confident | 75 | Confident | 87 Ų | 87 | 77.9 Ų | 77.9 | 38% | 0.382 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 127.2 | 160.3 | -178.8 | -97.4 | 0 | 0 | 0 | 108.9 | E885 V907 L908 I910 | E885-F887 PolarHBondContact O-N 3.46Å; E885-F887 VanDerWaalsContact O-N 3.14Å; F887-V907 WeakPolarHBondContact O-CA 3.36Å; F887-L908 HydrophobicContact CB-CB 4.27Å; F887-L908 PolarHBondContact N-O 2.97Å; F887-L908 PolarHBondContact O-N 3.07Å; F887-I910 HydrophobicContact CB-CB 4.36Å; F887-I910 HydrophobicContact CB-CD1 3.85Å; F887-I910 HydrophobicContact CB-CG1 3.85Å; F887-I910 HydrophobicContact CB-CG2 3.67Å; F887-I910 HydrophobicContact CD2-CD1 3.94Å; F887-I910 HydrophobicContact CG-CD1 4.31Å; F887-I910 HydrophobicContact CG-CG2 4.45Å |
| 888 | I | 83.3 | Confident | 74.8 | Confident | 82 Ų | 82 | 78 Ų | 78 | 42% | 0.421 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 100.5 | 178.7 | -60.4 | 178 | 0 | 0 | 0 | 106.9 | W886 P931 | W886-I888 PolarHBondContact O-N 3.2Å; I888-P931 HydrophobicContact CD1-CB 3.85Å; I888-P931 HydrophobicContact CD1-CG 3.67Å; I888-P931 HydrophobicContact CG1-CB 4.14Å; I888-P931 HydrophobicContact CG1-CG 3.97Å |
| 889 | G | 77.8 | Confident | 74.9 | Confident | 13 Ų | 13 | 77.7 Ų | 77.7 | 13% | 0.134 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 170.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R905 T906 | G889-R905 WeakPolarHBondContact O-CB 3.44Å; G889-T906 PolarHBondContact N-O 2.65Å |
| 890 | E | 83.4 | Confident | 75.2 | Confident | 173 Ų | 173 | 74.2 Ų | 74.2 | 81% | 0.808 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 150.9 | 171.2 | -76.1 | -60.2 | 157.8 | 0 | 0 | 112.2 | R905 | E890-R905 VanDerWaalsContact O-CB 3.24Å; E890-R905 WeakPolarHBondContact O-CB 3.45Å |
| 891 | W | 80.3 | Confident | 75.6 | Confident | 48 Ų | 48 | 67.5 Ų | 67.5 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 130.9 | 173.8 | -74.5 | 113.6 | 0 | 0 | 0 | 111.1 | R903 R905 I932 E933 E935 | W891-R903 HydrophobicContact CB-CG 4.32Å; W891-R903 HydrophobicContact CD2-CG 3.98Å; W891-R903 HydrophobicContact CE3-CB 4.22Å; W891-R903 HydrophobicContact CE3-CG 3.69Å; W891-R903 HydrophobicContact CG-CG 4.3Å; W891-R903 HydrophobicContact CZ3-CG 4.28Å; W891-R903 WeakPolarHBondContact CZ3-O 3.3Å; W891-R905 HydrophobicContact CD2-CB 3.99Å; W891-R905 HydrophobicContact CD2-CG 4.04Å; W891-R905 HydrophobicContact CE3-CB 3.63Å; W891-R905 HydrophobicContact CE3-CG 3.7Å; W891-R905 HydrophobicContact CG-CB 4.46Å; W891-R905 HydrophobicContact CH2-CG 3.96Å; W891-R905 HydrophobicContact CZ2-CG 4.28Å; W891-R905 VanDerWaalsContact CZ2-CZ 3.41Å; W891-R905 VanDerWaalsContact CZ2-NE 3.29Å; W891-R905 HydrophobicContact CZ3-CB 4.07Å; W891-R905 HydrophobicContact CZ3-CG 3.66Å; W891-I932 HydrophobicContact CH2-CG1 4.2Å; W891-I932 VanDerWaalsContact CH2-O 3.27Å; W891-I932 WeakPolarHBondContact CH2-O 3.26Å; W891-I932 HydrophobicContact CZ2-CD1 4.49Å; W891-I932 HydrophobicContact CZ2-CG1 4.23Å; W891-E933 WeakPolarHBondContact CZ3-O 3.26Å; W891-E935 HydrophobicContact CD2-CG 4.39Å; W891-E935 VanDerWaalsContact CE2-CD 3.49Å; W891-E935 HydrophobicContact CE3-CG 4.31Å; W891-E935 HydrophobicContact CH2-CB 3.73Å; W891-E935 HydrophobicContact CH2-CG 3.5Å; W891-E935 VanDerWaalsContact CH2-CG 3.5Å; W891-E935 HydrophobicContact CZ2-CB 4.08Å; W891-E935 HydrophobicContact CZ2-CG 3.57Å; W891-E935 WeakPolarHBondContact CZ2-OE2 3.29Å; W891-E935 HydrophobicContact CZ3-CB 4.35Å; W891-E935 HydrophobicContact CZ3-CG 3.88Å |
| 892 | S | 77.9 | Confident | 76.3 | Confident | 48 Ų | 48 | 67.8 Ų | 67.8 | 34% | 0.336 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 160.8 | 167.6 | 76 | 0 | 0 | 0 | 0 | 111.5 | C894 R903 T904 | S892-C894 PolarHBondContact O-N 3Å; S892-R903 WeakPolarHBondContact O-CB 3.27Å; S892-T904 WeakPolarHBondContact CB-O 3.42Å; S892-T904 PolarHBondContact N-O 3.35Å; S892-T904 PolarHBondContact OG-N 3.23Å; S892-T904 PolarHBondContact OG-O 2.91Å; S892-T904 PolarHBondContact OG-OG1 2.81Å |
| 893 | E | 77.7 | Confident | 76.6 | Confident | 187 Ų | 187 | 70.9 Ų | 70.9 | 87% | 0.874 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 141.4 | 163.7 | -63.7 | -167 | 161.4 | 0 | 0 | 110.3 | G895 | E893-G895 PolarHBondContact O-N 2.7Š|
| 894 | C | 80.3 | Confident | 76.9 | Confident | 28 Ų | 28 | 69.6 Ų | 69.6 | 19% | 0.189 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 121.1 | -178 | -173.8 | 0 | 0 | 0 | 0 | 110 | S892 K896 C937 N938 | S892-C894 PolarHBondContact O-N 3Å; C894-K896 CarbonylContact O-C 3.58Å; C894-K896 PolarHBondContact O-N 2.98Å; C894-K896 PolarHBondContact SG-O 3.27Å; C894-C937 HydrophobicContact CB-CB 3.94Å; C894-C937 WeakPolarHBondContact CB-SG 3.43Å; C894-C937 WeakPolarHBondContact SG-CB 3.43Å; C894-C937 PolarHBondContact SG-O 3.15Å; C894-C937 CovalentContact SG-SG 2.02Å; C894-C937 PolarHBondContact SG-SG 3.45Å; C894-N938 WeakPolarHBondContact CB-ND2 3.47Å; C894-N938 PolarHBondContact SG-ND2 3.3Å; C894-N938 VanDerWaalsContact SG-ND2 3.4Å |
| 895 | G | 75.8 | Confident | 77.1 | Confident | 68 Ų | 68 | 70 Ų | 70 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -61.7 | -0.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | E893 T902 | E893-G895 PolarHBondContact O-N 2.7Å; G895-T902 PolarHBondContact N-O 3.36Å |
| 896 | K | 69.6 | Low | 77.2 | Confident | 103 Ų | 103 | 67.4 Ų | 67.4 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | trans | -142 | 150.5 | 157.5 | -52.6 | 179 | -167.1 | 154.2 | 0 | 109.3 | C894 C898 D899 G900 N938 | C894-K896 CarbonylContact O-C 3.58Å; C894-K896 PolarHBondContact O-N 2.98Å; C894-K896 PolarHBondContact SG-O 3.27Å; K896-C898 VanDerWaalsContact C-N 3.33Å; K896-C898 WeakPolarHBondContact CB-O 3.15Å; K896-C898 WeakPolarHBondContact CD-O 3.36Å; K896-D899 PolarHBondContact NZ-O 3.5Å; K896-G900 WeakPolarHBondContact CD-O 3.26Å; K896-G900 WeakPolarHBondContact CE-O 3.45Å; K896-G900 PolarHBondContact NZ-O 3.45Å; K896-N938 WeakPolarHBondContact O-CB 3.31Å; K896-N938 PolarHBondContact O-ND2 3.34Å | ||
| 897 | T | 72.2 | Confident | 77.3 | Confident | 118 Ų | 118 | 66.1 Ų | 66.1 | 72% | 0.724 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -81.6 | -9.4 | 171.5 | 48.4 | 0 | 0 | 0 | 0 | 114.1 | Q940 | T897-Q940 PolarHBondContact O-NE2 3.49Å; T897-Q940 VanDerWaalsContact O-NE2 3.08Å |
| 898 | C | 66.8 | Low | 77.3 | Confident | 15 Ų | 15 | 65 Ų | 65 | 10% | 0.101 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -168.3 | 177.2 | 179.6 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | K896 G900 N938 Q940 C942 | K896-C898 VanDerWaalsContact C-N 3.33Å; K896-C898 WeakPolarHBondContact CB-O 3.15Å; K896-C898 WeakPolarHBondContact CD-O 3.36Å; C898-G900 VanDerWaalsContact C-N 3.3Å; C898-G900 PolarHBondContact O-N 3.44Å; C898-N938 CarbonylContact C-O 3.52Å; C898-N938 WeakPolarHBondContact CA-O 3.29Å; C898-Q940 WeakPolarHBondContact CA-O 3.44Å; C898-Q940 HydrophobicContact CB-CG 4.41Å; C898-Q940 WeakPolarHBondContact CB-O 3.27Å; C898-C942 HydrophobicContact CB-CB 3.83Å; C898-C942 WeakPolarHBondContact CB-SG 3.39Å; C898-C942 WeakPolarHBondContact SG-CA 3.37Å; C898-C942 WeakPolarHBondContact SG-CB 3.22Å; C898-C942 CovalentContact SG-SG 2.03Å; C898-C942 PolarHBondContact SG-SG 3.03Å |
| 899 | D | 67.1 | Low | 77.2 | Confident | 59 Ų | 59 | 61.1 Ų | 61.1 | 32% | 0.316 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 55.6 | 37.6 | -175.6 | -70.7 | -23.3 | 0 | 0 | 0 | 114.1 | K896 N938 Q940 S941 C942 S972 | K896-D899 PolarHBondContact NZ-O 3.5Å; D899-N938 PolarHBondContact N-O 3.22Å; D899-Q940 PolarHBondContact N-O 2.94Å; D899-S941 VanDerWaalsContact OD1-CA 3.23Å; D899-S941 WeakPolarHBondContact OD1-CA 3.4Å; D899-C942 PolarHBondContact OD1-N 3.47Å; D899-C942 VanDerWaalsContact OD2-CB 3.23Å; D899-C942 WeakPolarHBondContact OD2-CB 2.98Å; D899-C942 PolarHBondContact OD2-SG 3.45Å; D899-S972 WeakPolarHBondContact OD2-CB 3.24Å; D899-S972 PolarHBondContact OD2-OG 3.13Å |
| 900 | G | 68.4 | Low | 77.4 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 27% | 0.268 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 68.6 | 82.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K896 C898 N938 | K896-G900 WeakPolarHBondContact CD-O 3.26Å; K896-G900 WeakPolarHBondContact CE-O 3.45Å; K896-G900 PolarHBondContact NZ-O 3.45Å; C898-G900 VanDerWaalsContact C-N 3.3Å; C898-G900 PolarHBondContact O-N 3.44Å; G900-N938 PolarHBondContact N-O 2.96Å |
| 901 | G | 74.9 | Confident | 77.2 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 173.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S936 C937 | G901-S936 WeakPolarHBondContact O-CA 3.45Å; G901-C937 CarbonylContact C-O 3.58Å; G901-C937 WeakPolarHBondContact CA-O 3.08Å; G901-C937 PolarHBondContact N-O 3.18Å; G901-C937 PolarHBondContact O-N 3.18Å |
| 902 | T | 78.1 | Confident | 76.8 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 141.9 | 159.1 | 32.4 | 0 | 0 | 0 | 0 | 108.2 | G895 R934 E935 | G895-T902 PolarHBondContact N-O 3.36Å; T902-R934 HydrophobicContact CG2-CG 4.03Å; T902-R934 PolarHBondContact OG1-NE 2.91Å; T902-R934 VanDerWaalsContact OG1-NE 3.15Å; T902-R934 PolarHBondContact OG1-NH2 3.14Å; T902-E935 VanDerWaalsContact CA-O 3.24Å; T902-E935 WeakPolarHBondContact CA-O 3.24Å; T902-E935 WeakPolarHBondContact CG2-O 3.39Å |
| 903 | R | 79.2 | Confident | 76.5 | Confident | 85 Ų | 85 | 61.7 Ų | 61.7 | 32% | 0.321 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 152 | 167.6 | 56.5 | -169 | -169.6 | 163.6 | -0.3 | 108.8 | W891 S892 R934 E935 C937 | W891-R903 HydrophobicContact CB-CG 4.32Å; W891-R903 HydrophobicContact CD2-CG 3.98Å; W891-R903 HydrophobicContact CE3-CB 4.22Å; W891-R903 HydrophobicContact CE3-CG 3.69Å; W891-R903 HydrophobicContact CG-CG 4.3Å; W891-R903 HydrophobicContact CZ3-CG 4.28Å; W891-R903 WeakPolarHBondContact CZ3-O 3.3Å; S892-R903 WeakPolarHBondContact O-CB 3.27Å; R903-R934 WeakPolarHBondContact O-CA 3.16Å; R903-E935 HydrophobicContact CG-CG 3.78Å; R903-E935 IonicContact CZ-OE1 3.69Å; R903-E935 PolarHBondContact N-O 3.26Å; R903-E935 IonicContact NE-OE1 2.6Å; R903-E935 PolarHBondContact NE-OE1 3.12Å; R903-E935 IonicContact NH2-OE1 2.65Å; R903-E935 PolarHBondContact NH2-OE1 2.82Å; R903-E935 PolarHBondContact O-N 2.82Å; R903-C937 HydrophobicContact CG-CB 4.06Å; R903-C937 PolarHBondContact N-SG 2.81Å |
| 904 | T | 81.1 | Confident | 75.8 | Confident | 67 Ų | 67 | 53.2 Ų | 53.2 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.2 | -176.7 | 44.4 | 0 | 0 | 0 | 0 | 109.1 | S892 E933 R934 | S892-T904 WeakPolarHBondContact CB-O 3.42Å; S892-T904 PolarHBondContact N-O 3.35Å; S892-T904 PolarHBondContact OG-N 3.23Å; S892-T904 PolarHBondContact OG-O 2.91Å; S892-T904 PolarHBondContact OG-OG1 2.81Å; T904-E933 CarbonylContact C-O 3.42Å; T904-E933 VanDerWaalsContact CA-O 3.22Å; T904-E933 WeakPolarHBondContact CA-O 3.25Å; T904-R934 HydrophobicContact CG2-CB 4.03Å; T904-R934 HydrophobicContact CG2-CG 3.8Å |
| 905 | R | 80.2 | Confident | 74.8 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 17% | 0.166 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149.9 | 172.4 | 64.1 | -174.7 | 170 | 179.8 | -2.7 | 109.2 | G889 E890 W891 V907 I932 E933 | G889-R905 WeakPolarHBondContact O-CB 3.44Å; E890-R905 VanDerWaalsContact O-CB 3.24Å; E890-R905 WeakPolarHBondContact O-CB 3.45Å; W891-R905 HydrophobicContact CD2-CB 3.99Å; W891-R905 HydrophobicContact CD2-CG 4.04Å; W891-R905 HydrophobicContact CE3-CB 3.63Å; W891-R905 HydrophobicContact CE3-CG 3.7Å; W891-R905 HydrophobicContact CG-CB 4.46Å; W891-R905 HydrophobicContact CH2-CG 3.96Å; W891-R905 HydrophobicContact CZ2-CG 4.28Å; W891-R905 VanDerWaalsContact CZ2-CZ 3.41Å; W891-R905 VanDerWaalsContact CZ2-NE 3.29Å; W891-R905 HydrophobicContact CZ3-CB 4.07Å; W891-R905 HydrophobicContact CZ3-CG 3.66Å; R905-V907 HydrophobicContact CG-CG2 4Å; R905-V907 PolarHBondContact O-N 2.96Å; R905-I932 VanDerWaalsContact CZ-O 3.32Å; R905-I932 PolarHBondContact NE-O 3.41Å; R905-I932 PolarHBondContact NH2-O 2.87Å; R905-E933 PolarHBondContact N-O 3.26Å; R905-E933 VanDerWaalsContact O-CG 3.23Å; R905-E933 WeakPolarHBondContact O-CG 3.37Å |
| 906 | T | 80.9 | Confident | 73.8 | Confident | 79 Ų | 79 | 59.5 Ų | 59.5 | 49% | 0.485 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 118.2 | 174.7 | -26.2 | 0 | 0 | 0 | 0 | 109 | G889 L908 | G889-T906 PolarHBondContact N-O 2.65Å; T906-L908 HydrophobicContact CG2-CD1 4.03Å; T906-L908 HydrophobicContact CG2-CD2 3.98Å; T906-L908 HydrophobicContact CG2-CG 3.79Å |
| 907 | V | 84.8 | Confident | 73.5 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 102.9 | 171.2 | 177.6 | 0 | 0 | 0 | 0 | 107.5 | W886 F887 R905 R930 P931 E933 | W886-V907 HydrophobicContact CD2-CG1 4.31Å; W886-V907 HydrophobicContact CE3-CG1 3.61Å; W886-V907 HydrophobicContact CZ3-CG1 4.09Å; F887-V907 WeakPolarHBondContact O-CA 3.36Å; R905-V907 HydrophobicContact CG-CG2 4Å; R905-V907 PolarHBondContact O-N 2.96Å; V907-R930 HydrophobicContact CG1-CG 3.96Å; V907-R930 PolarHBondContact O-NH2 2.7Å; V907-P931 HydrophobicContact CG1-CB 4.29Å; V907-P931 HydrophobicContact CG1-CG 4.37Å; V907-P931 HydrophobicContact CG2-CB 4.4Å; V907-E933 HydrophobicContact CB-CB 4.21Å; V907-E933 HydrophobicContact CB-CG 4.12Å; V907-E933 HydrophobicContact CG2-CB 3.95Å; V907-E933 HydrophobicContact CG2-CG 4.09Å |
| 908 | L | 83.1 | Confident | 73.6 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.6 | -179.1 | -56.3 | 177.4 | 0 | 0 | 0 | 108.8 | W886 F887 T906 I910 T920 | W886-L908 CarbonylContact C-O 3.56Å; F887-L908 HydrophobicContact CB-CB 4.27Å; F887-L908 PolarHBondContact N-O 2.97Å; F887-L908 PolarHBondContact O-N 3.07Å; T906-L908 HydrophobicContact CG2-CD1 4.03Å; T906-L908 HydrophobicContact CG2-CD2 3.98Å; T906-L908 HydrophobicContact CG2-CG 3.79Å; L908-I910 HydrophobicContact CB-CG2 3.94Å; L908-I910 PolarHBondContact O-N 2.89Å; L908-T920 HydrophobicContact CB-CG2 4.2Å; L908-T920 HydrophobicContact CD1-CG2 4.35Å; L908-T920 HydrophobicContact CD2-CG2 4.43Å |
| 909 | C | 82.4 | Confident | 74.2 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 117 | 163 | -174.7 | 0 | 0 | 0 | 0 | 107.7 | W886 L921 C926 | W886-C909 HydrophobicContact CE3-CB 4.21Å; W886-C909 HydrophobicContact CH2-CB 4.35Å; W886-C909 HydrophobicContact CZ3-CB 3.89Å; C909-L921 PolarHBondContact O-N 3.31Å; C909-C926 WeakPolarHBondContact CA-SG 3.36Å; C909-C926 HydrophobicContact CB-CB 3.91Å; C909-C926 WeakPolarHBondContact CB-SG 3.31Å; C909-C926 WeakPolarHBondContact SG-CB 3.03Å; C909-C926 PolarHBondContact SG-N 2.68Å; C909-C926 CovalentContact SG-SG 2.04Å; C909-C926 PolarHBondContact SG-SG 3.03Å |
| 910 | I | 82.3 | Confident | 74.9 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 9% | 0.092 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.5 | 179.1 | 71.7 | 165.5 | 0 | 0 | 0 | 111.8 | P884 E885 F887 L908 E919 | P884-I910 CarbonylContact C-O 3.36Å; P884-I910 WeakPolarHBondContact CA-O 3.43Å; E885-I910 PolarHBondContact N-O 3.02Å; E885-I910 PolarHBondContact O-N 3.45Å; F887-I910 HydrophobicContact CB-CB 4.36Å; F887-I910 HydrophobicContact CB-CD1 3.85Å; F887-I910 HydrophobicContact CB-CG1 3.85Å; F887-I910 HydrophobicContact CB-CG2 3.67Å; F887-I910 HydrophobicContact CD2-CD1 3.94Å; F887-I910 HydrophobicContact CG-CD1 4.31Å; F887-I910 HydrophobicContact CG-CG2 4.45Å; L908-I910 HydrophobicContact CB-CG2 3.94Å; L908-I910 PolarHBondContact O-N 2.89Å; I910-E919 CarbonylContact C-O 3.24Å; I910-E919 WeakPolarHBondContact CA-O 3.18Å |
| 911 | R | 78.3 | Confident | 75.6 | Confident | 80 Ų | 80 | 63.8 Ų | 63.8 | 30% | 0.302 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.1 | 173.8 | 179.2 | 161.9 | 71.7 | 168.4 | -2.1 | 109 | P881 C882 P884 I913 E919 L921 | P881-R911 HydrophobicContact CB-CG 3.8Å; C882-R911 WeakPolarHBondContact O-CG 3.23Å; P884-R911 HydrophobicContact CB-CB 4.24Å; R911-I913 HydrophobicContact CG-CG2 4.06Å; R911-I913 PolarHBondContact O-N 3.41Å; R911-E919 HydrophobicContact CB-CB 4.5Å; R911-E919 IonicContact CZ-OE2 2.64Å; R911-E919 PolarHBondContact N-O 3.46Å; R911-E919 IonicContact NE-OE2 3.9Å; R911-E919 PolarHBondContact NE-OE2 2.86Å; R911-E919 IonicContact NH2-OE1 3.41Å; R911-E919 IonicContact NH2-OE2 3.48Å; R911-E919 PolarHBondContact NH2-OE2 3.04Å; R911-E919 PolarHBondContact O-N 2.72Å; R911-L921 HydrophobicContact CB-CD1 3.84Å; R911-L921 HydrophobicContact CB-CG 4.14Å |
| 912 | R | 72.7 | Confident | 75.9 | Confident | 125 Ų | 125 | 70 Ų | 70 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 123.7 | 166.7 | -61 | -163.3 | -179.7 | 124.8 | 12.8 | 108.6 | A838 P881 C882 E918 | A838-R912 HydrophobicContact CB-CB 3.44Å; A838-R912 VanDerWaalsContact CB-CB 3.44Å; A838-R912 VanDerWaalsContact CB-O 3.22Å; A838-R912 WeakPolarHBondContact CB-O 3.36Å; P881-R912 WeakPolarHBondContact CA-O 3.33Å; C882-R912 HydrophobicContact CB-CB 4.37Å; C882-R912 PolarHBondContact N-O 3.38Å; R912-E918 HydrophobicContact CG-CG 4.15Å; R912-E918 WeakPolarHBondContact CG-OE1 3.05Å; R912-E918 IonicContact CZ-OE1 3.13Å; R912-E918 IonicContact NE-OE1 2.65Å; R912-E918 PolarHBondContact NE-OE1 2.64Å; R912-E918 IonicContact NH2-OE1 3.19Å |
| 913 | I | 70.1 | Confident | 76 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 37% | 0.369 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -17.3 | 177.6 | 56.8 | 164.8 | 0 | 0 | 0 | 112 | P881 R911 E917 E919 | P881-I913 HydrophobicContact CB-CG2 4.13Å; P881-I913 HydrophobicContact CG-CG2 4.21Å; R911-I913 HydrophobicContact CG-CG2 4.06Å; R911-I913 PolarHBondContact O-N 3.41Å; I913-E917 HydrophobicContact CD1-CB 4.16Å; I913-E917 HydrophobicContact CG1-CB 3.81Å; I913-E917 VanDerWaalsContact CG1-O 3.25Å; I913-E917 WeakPolarHBondContact CG1-O 3.2Å; I913-E917 PolarHBondContact N-O 3.02Å; I913-E919 HydrophobicContact CD1-CB 4.16Å; I913-E919 HydrophobicContact CG1-CB 4.31Å; I913-E919 HydrophobicContact CG2-CB 3.92Å |
| 914 | G | 64.7 | Low | 75.9 | Confident | 9 Ų | 9 | 71.8 Ų | 71.8 | 9% | 0.093 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | -178.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T916 E917 | G914-T916 VanDerWaalsContact C-N 3.25Å; G914-T916 PolarHBondContact O-N 3.45Å; G914-T916 VanDerWaalsContact O-N 3.17Å; G914-E917 PolarHBondContact N-O 3.08Å; G914-E917 VanDerWaalsContact N-O 3.15Å; G914-E917 PolarHBondContact O-N 2.69Å |
| 915 | P | 57.6 | Low | 75.7 | Confident | 92 Ų | 92 | 74 Ų | 74 | 60% | 0.597 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21 | -170.7 | 24.5 | -34.7 | 0 | 0 | 0 | 115.5 | V840 | V840-P915 HydrophobicContact CG1-CB 4.36Š|
| 916 | T | 54.8 | Low | 75.8 | Confident | 135 Ų | 135 | 72.2 Ų | 72.2 | 83% | 0.828 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.6 | 14.5 | 171.8 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | G914 | G914-T916 VanDerWaalsContact C-N 3.25Å; G914-T916 PolarHBondContact O-N 3.45Å; G914-T916 VanDerWaalsContact O-N 3.17Å |
| 917 | E | 63.1 | Low | 75.5 | Confident | 125 Ų | 125 | 76.4 Ų | 76.4 | 58% | 0.584 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 112.7 | -176.4 | -67.9 | -169 | 147.4 | 0 | 0 | 109.9 | I913 G914 | I913-E917 HydrophobicContact CD1-CB 4.16Å; I913-E917 HydrophobicContact CG1-CB 3.81Å; I913-E917 VanDerWaalsContact CG1-O 3.25Å; I913-E917 WeakPolarHBondContact CG1-O 3.2Å; I913-E917 PolarHBondContact N-O 3.02Å; G914-E917 PolarHBondContact N-O 3.08Å; G914-E917 VanDerWaalsContact N-O 3.15Å; G914-E917 PolarHBondContact O-N 2.69Å |
| 918 | E | 75.8 | Confident | 74.8 | Confident | 96 Ų | 96 | 80.8 Ų | 80.8 | 45% | 0.449 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.1 | 176.3 | -55.8 | -163.7 | 133.3 | 0 | 0 | 109 | R912 | R912-E918 HydrophobicContact CG-CG 4.15Å; R912-E918 WeakPolarHBondContact CG-OE1 3.05Å; R912-E918 IonicContact CZ-OE1 3.13Å; R912-E918 IonicContact NE-OE1 2.65Å; R912-E918 PolarHBondContact NE-OE1 2.64Å; R912-E918 IonicContact NH2-OE1 3.19Å |
| 919 | E | 79.3 | Confident | 74.4 | Confident | 68 Ų | 68 | 86.9 Ų | 86.9 | 32% | 0.318 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.1 | 178.1 | -175.5 | -173.5 | -151.8 | 0 | 0 | 109.2 | I910 R911 I913 L921 | I910-E919 CarbonylContact C-O 3.24Å; I910-E919 WeakPolarHBondContact CA-O 3.18Å; R911-E919 HydrophobicContact CB-CB 4.5Å; R911-E919 IonicContact CZ-OE2 2.64Å; R911-E919 PolarHBondContact N-O 3.46Å; R911-E919 IonicContact NE-OE2 3.9Å; R911-E919 PolarHBondContact NE-OE2 2.86Å; R911-E919 IonicContact NH2-OE1 3.41Å; R911-E919 IonicContact NH2-OE2 3.48Å; R911-E919 PolarHBondContact NH2-OE2 3.04Å; R911-E919 PolarHBondContact O-N 2.72Å; I913-E919 HydrophobicContact CD1-CB 4.16Å; I913-E919 HydrophobicContact CG1-CB 4.31Å; I913-E919 HydrophobicContact CG2-CB 3.92Å; E919-L921 HydrophobicContact CG-CD2 3.92Å |
| 920 | T | 81.2 | Confident | 74.3 | Confident | 89 Ų | 89 | 91.5 Ų | 91.5 | 55% | 0.546 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 124.1 | 171.8 | -58.1 | 0 | 0 | 0 | 0 | 109.6 | L908 | L908-T920 HydrophobicContact CB-CG2 4.2Å; L908-T920 HydrophobicContact CD1-CG2 4.35Å; L908-T920 HydrophobicContact CD2-CG2 4.43Å |
| 921 | L | 83.4 | Confident | 74.2 | Confident | 33 Ų | 33 | 91.8 Ų | 91.8 | 17% | 0.173 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 171.3 | 178.4 | -61.1 | -173.3 | 0 | 0 | 0 | 111.4 | P884 C909 R911 E919 F925 | P884-L921 HydrophobicContact CB-CD1 3.9Å; P884-L921 HydrophobicContact CG-CD1 4.26Å; C909-L921 PolarHBondContact O-N 3.31Å; R911-L921 HydrophobicContact CB-CD1 3.84Å; R911-L921 HydrophobicContact CB-CG 4.14Å; E919-L921 HydrophobicContact CG-CD2 3.92Å; L921-F925 HydrophobicContact CB-CB 4.42Å; L921-F925 HydrophobicContact CB-CD2 4.2Å; L921-F925 HydrophobicContact CD1-CB 4.08Å; L921-F925 HydrophobicContact CD1-CG 4.19Å |
| 922 | E | 82 | Confident | 74.1 | Confident | 136 Ų | 136 | 92.8 Ų | 92.8 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | trans | -68.5 | 149.1 | 169.4 | -63.2 | -170.3 | 158.6 | 0 | 0 | 111.9 | T924 F925 | E922-T924 PolarHBondContact O-N 3.26Å; E922-F925 HydrophobicContact CB-CD2 4.09Å; E922-F925 HydrophobicContact CB-CE2 4.21Å; E922-F925 PolarHBondContact O-N 3.32Å; E922-F925 VanDerWaalsContact O-N 3.11Å | ||
| 923 | D | 79.6 | Confident | 74.4 | Confident | 75 Ų | 75 | 90.8 Ų | 90.8 | 40% | 0.401 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -27.3 | 177.3 | -82.1 | -2.8 | 0 | 0 | 0 | 114.5 | W886 F925 R930 | W886-D923 HydrophobicContact CH2-CB 3.73Å; W886-D923 WeakPolarHBondContact CH2-OD1 3.42Å; W886-D923 HydrophobicContact CZ3-CB 4.39Å; W886-D923 WeakPolarHBondContact CZ3-OD1 3.31Å; D923-F925 VanDerWaalsContact C-N 3.29Å; D923-F925 PolarHBondContact O-N 3.07Å; D923-R930 VanDerWaalsContact CG-NE 3.26Å; D923-R930 IonicContact OD1-CZ 3.76Å; D923-R930 IonicContact OD1-NE 3.68Å; D923-R930 PolarHBondContact OD1-NE 2.04Å; D923-R930 VanDerWaalsContact OD1-NE 3.16Å; D923-R930 IonicContact OD1-NH2 3.92Å; D923-R930 VanDerWaalsContact OD2-CD 3.3Å; D923-R930 WeakPolarHBondContact OD2-CD 2.98Å; D923-R930 IonicContact OD2-CZ 2.74Å; D923-R930 IonicContact OD2-NE 3.69Å; D923-R930 PolarHBondContact OD2-NE 2.91Å; D923-R930 IonicContact OD2-NH2 3.69Å |
| 924 | T | 76.5 | Confident | 75 | Confident | 98 Ų | 98 | 95.1 Ų | 95.1 | 60% | 0.601 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -22.9 | -177.4 | 49.1 | 0 | 0 | 0 | 0 | 114.1 | E922 | E922-T924 PolarHBondContact O-N 3.26Š|
| 925 | F | 77.7 | Confident | 75.7 | Confident | 114 Ų | 114 | 97.1 Ų | 97.1 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -27.7 | -178.8 | -68.9 | -85.2 | 0 | 0 | 0 | 112.6 | P884 L921 E922 D923 L927 | P884-F925 HydrophobicContact CG-CB 3.89Å; P884-F925 WeakPolarHBondContact CG-O 3.34Å; L921-F925 HydrophobicContact CB-CB 4.42Å; L921-F925 HydrophobicContact CB-CD2 4.2Å; L921-F925 HydrophobicContact CD1-CB 4.08Å; L921-F925 HydrophobicContact CD1-CG 4.19Å; E922-F925 HydrophobicContact CB-CD2 4.09Å; E922-F925 HydrophobicContact CB-CE2 4.21Å; E922-F925 PolarHBondContact O-N 3.32Å; E922-F925 VanDerWaalsContact O-N 3.11Å; D923-F925 VanDerWaalsContact C-N 3.29Å; D923-F925 PolarHBondContact O-N 3.07Å; F925-L927 PolarHBondContact O-N 2.03Å; F925-L927 VanDerWaalsContact O-N 3.14Å |
| 926 | C | 82.5 | Confident | 76.7 | Confident | 5 Ų | 5 | 96.4 Ų | 96.4 | 3% | 0.034 | 49% | 0.488 | C | S | . | . | trans | -83.4 | 87.7 | 178.3 | -73.3 | 0 | 0 | 0 | 0 | 110.7 | P884 W886 C909 T928 | P884-C926 VanDerWaalsContact C-SG 3.5Å; P884-C926 PolarHBondContact O-SG 2.91Å; W886-C926 HydrophobicContact CD2-CB 3.8Å; W886-C926 HydrophobicContact CE3-CB 4.33Å; W886-C926 HydrophobicContact CG-CB 4.28Å; W886-C926 HydrophobicContact CH2-CB 4.05Å; W886-C926 HydrophobicContact CZ2-CB 3.47Å; W886-C926 VanDerWaalsContact CZ2-CB 3.47Å; W886-C926 HydrophobicContact CZ3-CB 4.44Å; C909-C926 WeakPolarHBondContact CA-SG 3.36Å; C909-C926 HydrophobicContact CB-CB 3.91Å; C909-C926 WeakPolarHBondContact CB-SG 3.31Å; C909-C926 WeakPolarHBondContact SG-CB 3.03Å; C909-C926 PolarHBondContact SG-N 2.68Å; C909-C926 CovalentContact SG-SG 2.04Å; C909-C926 PolarHBondContact SG-SG 3.03Å; C926-T928 PolarHBondContact O-N 3.46Å; C926-T928 VanDerWaalsContact O-O 3.13Å | ||
| 927 | L | 73.8 | Confident | 77.6 | Confident | 167 Ų | 167 | 90.7 Ų | 90.7 | 87% | 0.874 | 45% | 0.453 | S | S | * | . | trans | -64.4 | -7 | -171.1 | -59.6 | 178.6 | 0 | 0 | 0 | 116 | F925 | F925-L927 PolarHBondContact O-N 2.03Å; F925-L927 VanDerWaalsContact O-N 3.14Å | ||
| 928 | T | 70.9 | Confident | 78.2 | Confident | 95 Ų | 95 | 87.3 Ų | 87.3 | 58% | 0.583 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -87.7 | 155.4 | 175.1 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | W886 C926 R930 | W886-T928 VanDerWaalsContact CD1-OG1 3.22Å; W886-T928 PolarHBondContact NE1-O 2.9Å; W886-T928 PolarHBondContact NE1-OG1 2.96Å; C926-T928 PolarHBondContact O-N 3.46Å; C926-T928 VanDerWaalsContact O-O 3.13Å; T928-R930 PolarHBondContact O-N 2.82Å; T928-R930 VanDerWaalsContact O-N 3.09Å |
| 929 | H | 72.8 | Confident | 77.7 | Confident | 191 Ų | 191 | 88 Ų | 88 | 88% | 0.884 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 118.1 | -178.2 | -77 | -66.3 | 0 | 0 | 0 | 112.4 | P931 | H929-P931 WeakPolarHBondContact O-CD 3.04Å; H929-P931 VanDerWaalsContact O-N 3.16Å |
| 930 | R | 81.9 | Confident | 77.1 | Confident | 98 Ų | 98 | 89.6 Ų | 89.6 | 37% | 0.37 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -49.3 | 117.8 | -180 | -171 | 165.3 | -170.3 | -96.4 | -4.7 | 111 | W886 V907 D923 T928 E933 | W886-R930 HydrophobicContact CD2-CG 4.34Å; W886-R930 HydrophobicContact CE3-CG 4.12Å; W886-R930 HydrophobicContact CH2-CB 3.83Å; W886-R930 VanDerWaalsContact CH2-CD 3.43Å; W886-R930 HydrophobicContact CH2-CG 3.46Å; W886-R930 VanDerWaalsContact CH2-CG 3.46Å; W886-R930 HydrophobicContact CZ2-CB 3.55Å; W886-R930 HydrophobicContact CZ2-CG 3.71Å; W886-R930 HydrophobicContact CZ3-CB 4.46Å; W886-R930 HydrophobicContact CZ3-CG 3.68Å; V907-R930 HydrophobicContact CG1-CG 3.96Å; V907-R930 PolarHBondContact O-NH2 2.7Å; D923-R930 VanDerWaalsContact CG-NE 3.26Å; D923-R930 IonicContact OD1-CZ 3.76Å; D923-R930 IonicContact OD1-NE 3.68Å; D923-R930 PolarHBondContact OD1-NE 2.04Å; D923-R930 VanDerWaalsContact OD1-NE 3.16Å; D923-R930 IonicContact OD1-NH2 3.92Å; D923-R930 VanDerWaalsContact OD2-CD 3.3Å; D923-R930 WeakPolarHBondContact OD2-CD 2.98Å; D923-R930 IonicContact OD2-CZ 2.74Å; D923-R930 IonicContact OD2-NE 3.69Å; D923-R930 PolarHBondContact OD2-NE 2.91Å; D923-R930 IonicContact OD2-NH2 3.69Å; T928-R930 PolarHBondContact O-N 2.82Å; T928-R930 VanDerWaalsContact O-N 3.09Å; R930-E933 IonicContact CZ-OE2 2.77Å; R930-E933 VanDerWaalsContact CZ-OE2 3.24Å; R930-E933 IonicContact NH1-OE2 2.64Å; R930-E933 PolarHBondContact NH1-OE2 2.81Å; R930-E933 IonicContact NH2-OE2 3.89Å; R930-E933 PolarHBondContact NH2-OE2 3.07Å |
| 931 | P | 79.1 | Confident | 76.1 | Confident | 25 Ų | 25 | 90.2 Ų | 90.2 | 16% | 0.162 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 149.8 | 179.2 | -28.6 | 35.5 | 0 | 0 | 0 | 111.9 | W886 I888 V907 H929 E933 | W886-P931 HydrophobicContact CB-CG 3.65Å; W886-P931 VanDerWaalsContact CD1-CD 3.45Å; W886-P931 HydrophobicContact CG-CG 3.82Å; I888-P931 HydrophobicContact CD1-CB 3.85Å; I888-P931 HydrophobicContact CD1-CG 3.67Å; I888-P931 HydrophobicContact CG1-CB 4.14Å; I888-P931 HydrophobicContact CG1-CG 3.97Å; V907-P931 HydrophobicContact CG1-CB 4.29Å; V907-P931 HydrophobicContact CG1-CG 4.37Å; V907-P931 HydrophobicContact CG2-CB 4.4Å; H929-P931 WeakPolarHBondContact O-CD 3.04Å; H929-P931 VanDerWaalsContact O-N 3.16Å; P931-E933 PolarHBondContact O-N 2.91Å |
| 932 | I | 76.4 | Confident | 75.2 | Confident | 100 Ų | 100 | 89.7 Ų | 89.7 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | trans | -58.8 | 111.9 | 177.1 | 56.9 | -179.9 | 0 | 0 | 0 | 110 | W891 R905 R934 E935 | W891-I932 HydrophobicContact CH2-CG1 4.2Å; W891-I932 VanDerWaalsContact CH2-O 3.27Å; W891-I932 WeakPolarHBondContact CH2-O 3.26Å; W891-I932 HydrophobicContact CZ2-CD1 4.49Å; W891-I932 HydrophobicContact CZ2-CG1 4.23Å; R905-I932 VanDerWaalsContact CZ-O 3.32Å; R905-I932 PolarHBondContact NE-O 3.41Å; R905-I932 PolarHBondContact NH2-O 2.87Å; I932-R934 VanDerWaalsContact C-N 3.29Å; I932-E935 HydrophobicContact CD1-CB 4.15Å | ||
| 933 | E | 80.3 | Confident | 74.6 | Confident | 83 Ų | 83 | 87.1 Ų | 87.1 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -76.4 | -22.9 | 176.9 | -167 | -171.8 | 155.2 | 0 | 0 | 111.3 | W891 T904 R905 V907 R930 P931 | W891-E933 WeakPolarHBondContact CZ3-O 3.26Å; T904-E933 CarbonylContact C-O 3.42Å; T904-E933 VanDerWaalsContact CA-O 3.22Å; T904-E933 WeakPolarHBondContact CA-O 3.25Å; R905-E933 PolarHBondContact N-O 3.26Å; R905-E933 VanDerWaalsContact O-CG 3.23Å; R905-E933 WeakPolarHBondContact O-CG 3.37Å; V907-E933 HydrophobicContact CB-CB 4.21Å; V907-E933 HydrophobicContact CB-CG 4.12Å; V907-E933 HydrophobicContact CG2-CB 3.95Å; V907-E933 HydrophobicContact CG2-CG 4.09Å; R930-E933 IonicContact CZ-OE2 2.77Å; R930-E933 VanDerWaalsContact CZ-OE2 3.24Å; R930-E933 IonicContact NH1-OE2 2.64Å; R930-E933 PolarHBondContact NH1-OE2 2.81Å; R930-E933 IonicContact NH2-OE2 3.89Å; R930-E933 PolarHBondContact NH2-OE2 3.07Å; P931-E933 PolarHBondContact O-N 2.91Å |
| 934 | R | 82 | Confident | 74.1 | Confident | 164 Ų | 164 | 84.9 Ų | 84.9 | 62% | 0.619 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 128.5 | -175.7 | -172.7 | 174.4 | -178.9 | -167.3 | -0.5 | 110.6 | T902 R903 T904 I932 | T902-R934 HydrophobicContact CG2-CG 4.03Å; T902-R934 PolarHBondContact OG1-NE 2.91Å; T902-R934 VanDerWaalsContact OG1-NE 3.15Å; T902-R934 PolarHBondContact OG1-NH2 3.14Å; R903-R934 WeakPolarHBondContact O-CA 3.16Å; T904-R934 HydrophobicContact CG2-CB 4.03Å; T904-R934 HydrophobicContact CG2-CG 3.8Å; I932-R934 VanDerWaalsContact C-N 3.29Å |
| 935 | E | 79.4 | Confident | 74 | Confident | 51 Ų | 51 | 86 Ų | 86 | 24% | 0.238 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 153.2 | 177.7 | 74.4 | 177.7 | -163.8 | 0 | 0 | 112.9 | W891 T902 R903 I932 | W891-E935 HydrophobicContact CD2-CG 4.39Å; W891-E935 VanDerWaalsContact CE2-CD 3.49Å; W891-E935 HydrophobicContact CE3-CG 4.31Å; W891-E935 HydrophobicContact CH2-CB 3.73Å; W891-E935 HydrophobicContact CH2-CG 3.5Å; W891-E935 VanDerWaalsContact CH2-CG 3.5Å; W891-E935 HydrophobicContact CZ2-CB 4.08Å; W891-E935 HydrophobicContact CZ2-CG 3.57Å; W891-E935 WeakPolarHBondContact CZ2-OE2 3.29Å; W891-E935 HydrophobicContact CZ3-CB 4.35Å; W891-E935 HydrophobicContact CZ3-CG 3.88Å; T902-E935 VanDerWaalsContact CA-O 3.24Å; T902-E935 WeakPolarHBondContact CA-O 3.24Å; T902-E935 WeakPolarHBondContact CG2-O 3.39Å; R903-E935 HydrophobicContact CG-CG 3.78Å; R903-E935 IonicContact CZ-OE1 3.69Å; R903-E935 PolarHBondContact N-O 3.26Å; R903-E935 IonicContact NE-OE1 2.6Å; R903-E935 PolarHBondContact NE-OE1 3.12Å; R903-E935 IonicContact NH2-OE1 2.65Å; R903-E935 PolarHBondContact NH2-OE1 2.82Å; R903-E935 PolarHBondContact O-N 2.82Å; I932-E935 HydrophobicContact CD1-CB 4.15Å |
| 936 | S | 78.3 | Confident | 74.2 | Confident | 77 Ų | 77 | 82.1 Ų | 82.1 | 54% | 0.538 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 128.6 | 175.3 | 61 | 0 | 0 | 0 | 0 | 110.8 | G901 | G901-S936 WeakPolarHBondContact O-CA 3.45Å |
| 937 | C | 74.4 | Confident | 74.2 | Confident | 14 Ų | 14 | 84 Ų | 84 | 10% | 0.095 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157.4 | -179 | 52.5 | 0 | 0 | 0 | 0 | 109.9 | C894 G901 R903 N939 | C894-C937 HydrophobicContact CB-CB 3.94Å; C894-C937 WeakPolarHBondContact CB-SG 3.43Å; C894-C937 WeakPolarHBondContact SG-CB 3.43Å; C894-C937 PolarHBondContact SG-O 3.15Å; C894-C937 CovalentContact SG-SG 2.02Å; C894-C937 PolarHBondContact SG-SG 3.45Å; G901-C937 CarbonylContact C-O 3.58Å; G901-C937 WeakPolarHBondContact CA-O 3.08Å; G901-C937 PolarHBondContact N-O 3.18Å; G901-C937 PolarHBondContact O-N 3.18Å; R903-C937 HydrophobicContact CG-CB 4.06Å; R903-C937 PolarHBondContact N-SG 2.81Å; C937-N939 PolarHBondContact O-N 3.47Å |
| 938 | N | 74.7 | Confident | 74.6 | Confident | 55 Ų | 55 | 78.2 Ų | 78.2 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | trans | 54.2 | 50.3 | -177.8 | -67.4 | -33.9 | 0 | 0 | 0 | 114.3 | C894 K896 C898 D899 G900 Q940 | C894-N938 WeakPolarHBondContact CB-ND2 3.47Å; C894-N938 PolarHBondContact SG-ND2 3.3Å; C894-N938 VanDerWaalsContact SG-ND2 3.4Å; K896-N938 WeakPolarHBondContact O-CB 3.31Å; K896-N938 PolarHBondContact O-ND2 3.34Å; C898-N938 CarbonylContact C-O 3.52Å; C898-N938 WeakPolarHBondContact CA-O 3.29Å; D899-N938 PolarHBondContact N-O 3.22Å; G900-N938 PolarHBondContact N-O 2.96Å; N938-Q940 VanDerWaalsContact C-OE1 3.27Å; N938-Q940 VanDerWaalsContact CA-OE1 3.23Å; N938-Q940 PolarHBondContact O-N 2.93Å; N938-Q940 PolarHBondContact OD1-NE2 2.83Å | ||
| 939 | N | 65.1 | Low | 75.1 | Confident | 109 Ų | 109 | 78 Ų | 78 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | trans | -72.4 | -5.9 | 178.5 | -70.8 | -7.4 | 0 | 0 | 0 | 113.8 | C937 | C937-N939 PolarHBondContact O-N 3.47Š| ||
| 940 | Q | 66.9 | Low | 75.6 | Confident | 103 Ų | 103 | 76.9 Ų | 76.9 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -61.1 | 135.6 | 168 | 64.4 | -78.1 | -0.3 | 0 | 0 | 111.2 | T897 C898 D899 N938 | T897-Q940 PolarHBondContact O-NE2 3.49Å; T897-Q940 VanDerWaalsContact O-NE2 3.08Å; C898-Q940 WeakPolarHBondContact CA-O 3.44Å; C898-Q940 HydrophobicContact CB-CG 4.41Å; C898-Q940 WeakPolarHBondContact CB-O 3.27Å; D899-Q940 PolarHBondContact N-O 2.94Å; N938-Q940 VanDerWaalsContact C-OE1 3.27Å; N938-Q940 VanDerWaalsContact CA-OE1 3.23Å; N938-Q940 PolarHBondContact O-N 2.93Å; N938-Q940 PolarHBondContact OD1-NE2 2.83Å |
| 941 | S | 61.3 | Low | 75.6 | Confident | 102 Ų | 102 | 74.7 Ų | 74.7 | 71% | 0.713 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 140.9 | 176.3 | -54 | 0 | 0 | 0 | 0 | 111.2 | D899 | D899-S941 VanDerWaalsContact OD1-CA 3.23Å; D899-S941 WeakPolarHBondContact OD1-CA 3.4Å |
| 942 | C | 64.1 | Low | 75.6 | Confident | 22 Ų | 22 | 76 Ų | 76 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 140.5 | 178.7 | -75.7 | 0 | 0 | 0 | 0 | 111.4 | C898 D899 | C898-C942 HydrophobicContact CB-CB 3.83Å; C898-C942 WeakPolarHBondContact CB-SG 3.39Å; C898-C942 WeakPolarHBondContact SG-CA 3.37Å; C898-C942 WeakPolarHBondContact SG-CB 3.22Å; C898-C942 CovalentContact SG-SG 2.03Å; C898-C942 PolarHBondContact SG-SG 3.03Å; D899-C942 PolarHBondContact OD1-N 3.47Å; D899-C942 VanDerWaalsContact OD2-CB 3.23Å; D899-C942 WeakPolarHBondContact OD2-CB 2.98Å; D899-C942 PolarHBondContact OD2-SG 3.45Å |
| 943 | P | 68.5 | Low | 75.7 | Confident | 81 Ų | 81 | 77.3 Ų | 77.3 | 53% | 0.526 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 139.6 | 170.2 | 26.7 | -33.8 | 0 | 0 | 0 | 109.6 | ||
| 944 | P | 70.3 | Confident | 75.7 | Confident | 28 Ų | 28 | 74.2 Ų | 74.2 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 147.6 | -178.6 | 28.2 | -35.1 | 0 | 0 | 0 | 110.8 | K970 F978 T982 C983 | P944-K970 CarbonylContact C-O 3.58Å; P944-K970 WeakPolarHBondContact CA-O 3.28Å; P944-K970 WeakPolarHBondContact CB-O 2.98Å; P944-F978 HydrophobicContact CB-CD2 3.68Å; P944-F978 HydrophobicContact CB-CE2 3.99Å; P944-F978 HydrophobicContact CG-CD2 4.18Å; P944-T982 HydrophobicContact CG-CG2 3.97Å; P944-T982 VanDerWaalsContact CG-O 3.32Å; P944-T982 WeakPolarHBondContact CG-O 3.44Å; P944-C983 PolarHBondContact O-SG 2.81Å |
| 945 | K | 74.8 | Confident | 75.3 | Confident | 123 Ų | 123 | 70 Ų | 70 | 54% | 0.535 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 148.7 | -172 | -64.7 | -179.6 | -179.2 | 175.7 | 0 | 110.7 | K970 | K945-K970 PolarHBondContact N-O 3.37Å; K945-K970 PolarHBondContact O-N 2.76Å |
| 946 | W | 81.6 | Confident | 74.4 | Confident | 32 Ų | 32 | 70.6 Ų | 70.6 | 12% | 0.121 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 125.1 | 172.1 | -70.9 | 106.8 | 0 | 0 | 0 | 110.7 | A967 L968 C969 P980 C983 L984 N987 K988 P989 | W946-A967 HydrophobicContact CE3-CB 4.16Å; W946-L968 WeakPolarHBondContact CA-O 3.23Å; W946-C969 HydrophobicContact CE3-CB 4.3Å; W946-C969 HydrophobicContact CH2-CB 4.44Å; W946-C969 HydrophobicContact CZ3-CB 4.1Å; W946-P980 HydrophobicContact CH2-CB 3.95Å; W946-P980 VanDerWaalsContact CH2-O 3.23Å; W946-P980 WeakPolarHBondContact CH2-O 3.46Å; W946-P980 WeakPolarHBondContact CZ2-O 3.28Å; W946-C983 HydrophobicContact CD2-CB 3.85Å; W946-C983 HydrophobicContact CG-CB 4.18Å; W946-C983 HydrophobicContact CH2-CB 4.38Å; W946-C983 HydrophobicContact CZ2-CB 3.68Å; W946-L984 PolarHBondContact NE1-O 2.93Å; W946-N987 VanDerWaalsContact CD1-C 3.47Å; W946-N987 VanDerWaalsContact CD1-O 3.22Å; W946-K988 HydrophobicContact CD2-CB 4.13Å; W946-K988 HydrophobicContact CD2-CG 3.86Å; W946-K988 HydrophobicContact CE3-CD 4.44Å; W946-K988 HydrophobicContact CE3-CG 4.05Å; W946-K988 HydrophobicContact CG-CB 4.42Å; W946-K988 HydrophobicContact CG-CG 4.46Å; W946-K988 HydrophobicContact CH2-CD 3.69Å; W946-K988 HydrophobicContact CH2-CG 4.09Å; W946-K988 HydrophobicContact CZ2-CB 4Å; W946-K988 HydrophobicContact CZ2-CD 3.75Å; W946-K988 HydrophobicContact CZ2-CG 3.88Å; W946-K988 HydrophobicContact CZ3-CD 4.05Å; W946-K988 HydrophobicContact CZ3-CG 4.17Å; W946-P989 HydrophobicContact CB-CG 4Å |
| 947 | V | 81.9 | Confident | 73.9 | Confident | 43 Ų | 43 | 74.1 Ų | 74.1 | 26% | 0.261 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.8 | 178.8 | -175.6 | 0 | 0 | 0 | 0 | 107.8 | L968 K970 L974 | V947-L968 PolarHBondContact N-O 3.02Å; V947-L968 PolarHBondContact O-N 2.02Å; V947-K970 HydrophobicContact CB-CD 4.3Å; V947-K970 HydrophobicContact CG2-CB 3.87Å; V947-K970 HydrophobicContact CG2-CD 4.07Å; V947-K970 HydrophobicContact CG2-CG 4.22Å; V947-L974 HydrophobicContact CG2-CD2 3.49Å; V947-L974 VanDerWaalsContact CG2-CD2 3.49Å |
| 948 | T | 82.1 | Confident | 73.7 | Confident | 46 Ų | 46 | 74.5 Ų | 74.5 | 28% | 0.282 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.2 | 179.3 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | R965 I966 A967 P989 | T948-R965 PolarHBondContact OG1-NH1 2.8Å; T948-I966 CarbonylContact C-O 3.05Å; T948-I966 WeakPolarHBondContact CA-O 3.39Å; T948-A967 HydrophobicContact CG2-CB 4.07Å; T948-P989 HydrophobicContact CG2-CB 3.69Å; T948-P989 HydrophobicContact CG2-CG 3.89Å |
| 949 | L | 81.9 | Confident | 73.4 | Confident | 90 Ų | 90 | 72.3 Ų | 72.3 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 172.8 | 162.3 | -55.7 | -172 | 0 | 0 | 0 | 110.7 | I966 L968 | L949-I966 HydrophobicContact CD1-CB 4.05Å; L949-I966 HydrophobicContact CD1-CD1 4.29Å; L949-I966 HydrophobicContact CG-CB 4.26Å; L949-I966 PolarHBondContact N-O 3.48Å; L949-L968 HydrophobicContact CD2-CD1 4.49Å |
| 950 | E | 82.3 | Confident | 73.7 | Confident | 168 Ų | 168 | 72.6 Ų | 72.6 | 79% | 0.785 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 159.7 | 175.4 | -81.9 | -57 | 154.4 | 0 | 0 | 114 | R965 | E950-R965 VanDerWaalsContact O-CB 3.26Å; E950-R965 WeakPolarHBondContact O-CB 3Å |
| 951 | W | 82.8 | Confident | 74.2 | Confident | 53 Ų | 53 | 67.9 Ų | 67.9 | 20% | 0.201 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 140.5 | 174.6 | -69.1 | 100.9 | 0 | 0 | 0 | 112.1 | K963 H964 R965 P990 M993 | W951-K963 HydrophobicContact CB-CD 3.88Å; W951-K963 HydrophobicContact CB-CG 4.4Å; W951-K963 HydrophobicContact CD2-CD 4.02Å; W951-K963 HydrophobicContact CD2-CG 4.02Å; W951-K963 HydrophobicContact CE3-CB 4.19Å; W951-K963 HydrophobicContact CE3-CD 4.23Å; W951-K963 HydrophobicContact CE3-CG 3.71Å; W951-K963 HydrophobicContact CG-CD 3.9Å; W951-K963 HydrophobicContact CG-CG 4.36Å; W951-K963 HydrophobicContact CZ3-CG 4.33Å; W951-K963 VanDerWaalsContact CZ3-O 3.3Å; W951-K963 WeakPolarHBondContact CZ3-O 3.48Å; W951-H964 VanDerWaalsContact CE3-C 3.5Å; W951-R965 HydrophobicContact CD2-CB 4.07Å; W951-R965 HydrophobicContact CD2-CG 4.03Å; W951-R965 VanDerWaalsContact CE2-CD 3.45Å; W951-R965 HydrophobicContact CE3-CB 3.78Å; W951-R965 HydrophobicContact CE3-CG 3.77Å; W951-R965 HydrophobicContact CH2-CG 3.88Å; W951-R965 HydrophobicContact CZ2-CG 4.14Å; W951-R965 VanDerWaalsContact CZ2-CZ 3.47Å; W951-R965 HydrophobicContact CZ3-CB 4.16Å; W951-R965 HydrophobicContact CZ3-CG 3.69Å; W951-P990 VanDerWaalsContact CH2-O 3.25Å; W951-P990 WeakPolarHBondContact CH2-O 3.5Å; W951-M993 HydrophobicContact CE3-CB 4.35Å; W951-M993 HydrophobicContact CH2-CB 3.35Å; W951-M993 HydrophobicContact CH2-CE 4.4Å; W951-M993 HydrophobicContact CH2-CG 4.48Å; W951-M993 HydrophobicContact CZ2-CB 3.76Å; W951-M993 HydrophobicContact CZ2-CE 3.71Å; W951-M993 HydrophobicContact CZ2-CG 4.47Å; W951-M993 HydrophobicContact CZ2-SD 3.94Å; W951-M993 HydrophobicContact CZ3-CB 3.68Å |
| 952 | S | 79.7 | Confident | 75.1 | Confident | 52 Ų | 52 | 66 Ų | 66 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 166.1 | 164.9 | 76.6 | 0 | 0 | 0 | 0 | 111.7 | K963 H964 | S952-K963 WeakPolarHBondContact O-CB 3.36Å; S952-H964 WeakPolarHBondContact CB-O 3.15Å; S952-H964 PolarHBondContact N-O 2.88Å; S952-H964 PolarHBondContact OG-N 3.1Å; S952-H964 PolarHBondContact OG-O 2.93Å |
| 953 | E | 78.3 | Confident | 75.8 | Confident | 128 Ų | 128 | 67.7 Ų | 67.7 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 156.8 | 160.2 | -64.8 | -169.8 | 161.3 | 0 | 0 | 111.7 | K957 | E953-K957 IonicContact OE1-NZ 3.11Å; E953-K957 PolarHBondContact OE1-NZ 3.48Å; E953-K957 WeakPolarHBondContact OE2-CE 3.09Å; E953-K957 IonicContact OE2-NZ 2.91Å; E953-K957 PolarHBondContact OE2-NZ 2.66Å |
| 954 | C | 79.8 | Confident | 76.4 | Confident | 18 Ų | 18 | 67.6 Ų | 67.6 | 12% | 0.122 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 130.6 | 174.3 | -167.2 | 0 | 0 | 0 | 0 | 110.6 | P956 C995 S997 | C954-P956 CarbonylContact C-O 3.57Å; C954-P956 CarbonylContact O-C 3.55Å; C954-C995 VanDerWaalsContact CA-SG 3.57Å; C954-C995 HydrophobicContact CB-CB 3.92Å; C954-C995 WeakPolarHBondContact CB-SG 3.25Å; C954-C995 WeakPolarHBondContact SG-CB 3.41Å; C954-C995 CovalentContact SG-SG 2.03Å; C954-C995 PolarHBondContact SG-SG 2.62Å; C954-S997 WeakPolarHBondContact CB-OG 3.41Å |
| 955 | T | 73.4 | Confident | 76.9 | Confident | 74 Ų | 74 | 68.6 Ų | 68.6 | 45% | 0.454 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -122.8 | 129 | 178.4 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | G961 F962 | T955-G961 CarbonylContact O-C 3.54Å; T955-G961 WeakPolarHBondContact O-CA 3.33Å; T955-F962 PolarHBondContact N-O 2.73Å; T955-F962 PolarHBondContact O-N 2.77Å; T955-F962 PolarHBondContact OG1-O 2.92Å |
| 956 | P | 60.2 | Low | 77.1 | Confident | 64 Ų | 64 | 67.5 Ų | 67.5 | 42% | 0.416 | 35% | 0.35 | S | S | . | . | S | Bend | cis | -63.4 | 162.6 | -6.7 | 28.5 | -36.3 | 0 | 0 | 0 | 113.5 | C954 C958 | C954-P956 CarbonylContact C-O 3.57Å; C954-P956 CarbonylContact O-C 3.55Å; P956-C958 WeakPolarHBondContact CG-O 3.19Å; P956-C958 PolarHBondContact O-N 3.09Å |
| 957 | K | 67.8 | Low | 77.2 | Confident | 151 Ų | 151 | 66.5 Ų | 66.5 | 66% | 0.657 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -72.3 | -4 | -176.9 | -64.8 | -149.5 | -171 | -155.9 | 0 | 114.8 | E953 S997 | E953-K957 IonicContact OE1-NZ 3.11Å; E953-K957 PolarHBondContact OE1-NZ 3.48Å; E953-K957 WeakPolarHBondContact OE2-CE 3.09Å; E953-K957 IonicContact OE2-NZ 2.91Å; E953-K957 PolarHBondContact OE2-NZ 2.66Å; K957-S997 WeakPolarHBondContact O-CB 3.39Å |
| 958 | C | 69.7 | Low | 77.1 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -136.5 | 156.2 | 167.7 | 72.1 | 0 | 0 | 0 | 0 | 111.2 | P956 S997 C1000 Y1031 | P956-C958 WeakPolarHBondContact CG-O 3.19Å; P956-C958 PolarHBondContact O-N 3.09Å; C958-S997 VanDerWaalsContact CA-O 3.28Å; C958-S997 WeakPolarHBondContact CA-O 3.19Å; C958-C1000 HydrophobicContact CB-CB 4.02Å; C958-C1000 WeakPolarHBondContact CB-SG 3.12Å; C958-C1000 PolarHBondContact O-SG 2.74Å; C958-C1000 VanDerWaalsContact SG-CA 3.52Å; C958-C1000 WeakPolarHBondContact SG-CB 3.4Å; C958-C1000 CovalentContact SG-SG 2.05Å; C958-C1000 PolarHBondContact SG-SG 2.87Å; C958-Y1031 WeakPolarHBondContact SG-CE2 3.35Å |
| 959 | G | 69 | Low | 77 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 9% | 0.093 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.8 | -162.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S996 S997 G998 | G959-S996 CarbonylContact O-C 3.55Å; G959-S996 WeakPolarHBondContact O-CA 3.07Å; G959-S997 PolarHBondContact N-O 3.46Å; G959-S997 PolarHBondContact O-N 3.08Å; G959-G998 WeakPolarHBondContact CA-O 3.35Å; G959-G998 PolarHBondContact N-O 2.79Å; G959-G998 VanDerWaalsContact N-O 3.08Å |
| 960 | P | 72.3 | Confident | 76.8 | Confident | 115 Ų | 115 | 63.2 Ų | 63.2 | 75% | 0.747 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 127.3 | 179.2 | 30.5 | -33.3 | 0 | 0 | 0 | 111.2 | ||
| 961 | G | 77.1 | Confident | 76.4 | Confident | 4 Ų | 4 | 56 Ų | 56 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | -167.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T955 R994 C995 | T955-G961 CarbonylContact O-C 3.54Å; T955-G961 WeakPolarHBondContact O-CA 3.33Å; G961-R994 WeakPolarHBondContact O-CA 3.31Å; G961-C995 PolarHBondContact N-O 3.02Å; G961-C995 PolarHBondContact O-N 2.95Å |
| 962 | F | 79.5 | Confident | 75.6 | Confident | 64 Ų | 64 | 55.4 Ų | 55.4 | 28% | 0.281 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 142.1 | 178.4 | -64.2 | -93.4 | 0 | 0 | 0 | 111.6 | T955 R992 M993 R994 C995 | T955-F962 PolarHBondContact N-O 2.73Å; T955-F962 PolarHBondContact O-N 2.77Å; T955-F962 PolarHBondContact OG1-O 2.92Å; F962-R992 HydrophobicContact CB-CG 4.21Å; F962-R992 HydrophobicContact CD1-CG 3.68Å; F962-R992 VanDerWaalsContact CD2-NH2 3.3Å; F962-R992 HydrophobicContact CE1-CG 4.44Å; F962-R992 HydrophobicContact CG-CG 4.26Å; F962-M993 VanDerWaalsContact CA-O 3.31Å; F962-M993 WeakPolarHBondContact CA-O 3.4Å; F962-R994 HydrophobicContact CD1-CG 4.01Å; F962-R994 HydrophobicContact CE1-CG 3.47Å; F962-R994 VanDerWaalsContact CE1-CG 3.47Å; F962-R994 HydrophobicContact CZ-CG 4.03Å; F962-C995 VanDerWaalsContact CA-SG 3.58Å |
| 963 | K | 79.2 | Confident | 75.1 | Confident | 56 Ų | 56 | 57.3 Ų | 57.3 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 148.8 | 164.8 | 59.2 | -179.2 | -166 | 167.8 | 0 | 109.6 | W951 S952 R992 M993 C995 | W951-K963 HydrophobicContact CB-CD 3.88Å; W951-K963 HydrophobicContact CB-CG 4.4Å; W951-K963 HydrophobicContact CD2-CD 4.02Å; W951-K963 HydrophobicContact CD2-CG 4.02Å; W951-K963 HydrophobicContact CE3-CB 4.19Å; W951-K963 HydrophobicContact CE3-CD 4.23Å; W951-K963 HydrophobicContact CE3-CG 3.71Å; W951-K963 HydrophobicContact CG-CD 3.9Å; W951-K963 HydrophobicContact CG-CG 4.36Å; W951-K963 HydrophobicContact CZ3-CG 4.33Å; W951-K963 VanDerWaalsContact CZ3-O 3.3Å; W951-K963 WeakPolarHBondContact CZ3-O 3.48Å; S952-K963 WeakPolarHBondContact O-CB 3.36Å; K963-R992 WeakPolarHBondContact O-CA 3.5Å; K963-M993 WeakPolarHBondContact CE-SD 3.38Å; K963-M993 HydrophobicContact CG-CB 4.13Å; K963-M993 PolarHBondContact N-O 3.21Å; K963-M993 PolarHBondContact O-N 2.94Å; K963-C995 HydrophobicContact CG-CB 4.48Å; K963-C995 PolarHBondContact N-SG 3.02Å; K963-C995 VanDerWaalsContact N-SG 3.37Å |
| 964 | H | 81.6 | Confident | 74.6 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 37% | 0.366 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 149.6 | -173.2 | -60.5 | 93 | 0 | 0 | 0 | 110.7 | W951 S952 V991 R992 | W951-H964 VanDerWaalsContact CE3-C 3.5Å; S952-H964 WeakPolarHBondContact CB-O 3.15Å; S952-H964 PolarHBondContact N-O 2.88Å; S952-H964 PolarHBondContact OG-N 3.1Å; S952-H964 PolarHBondContact OG-O 2.93Å; H964-V991 CarbonylContact C-O 2.91Å; H964-V991 VanDerWaalsContact CA-O 3.27Å; H964-V991 WeakPolarHBondContact CA-O 3.46Å; H964-R992 WeakPolarHBondContact NE2-CD 3.07Å |
| 965 | R | 80.9 | Confident | 74.1 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 19% | 0.185 | 32% | 0.322 | C | S | . | . | trans | -145.7 | 155.2 | 173.3 | 69.2 | -178.6 | 172.6 | 170.5 | -6.9 | 111.2 | T948 E950 W951 P990 V991 | T948-R965 PolarHBondContact OG1-NH1 2.8Å; E950-R965 VanDerWaalsContact O-CB 3.26Å; E950-R965 WeakPolarHBondContact O-CB 3Å; W951-R965 HydrophobicContact CD2-CB 4.07Å; W951-R965 HydrophobicContact CD2-CG 4.03Å; W951-R965 VanDerWaalsContact CE2-CD 3.45Å; W951-R965 HydrophobicContact CE3-CB 3.78Å; W951-R965 HydrophobicContact CE3-CG 3.77Å; W951-R965 HydrophobicContact CH2-CG 3.88Å; W951-R965 HydrophobicContact CZ2-CG 4.14Å; W951-R965 VanDerWaalsContact CZ2-CZ 3.47Å; W951-R965 HydrophobicContact CZ3-CB 4.16Å; W951-R965 HydrophobicContact CZ3-CG 3.69Å; R965-P990 PolarHBondContact NE-O 3.5Å; R965-P990 PolarHBondContact NH2-O 2.93Å; R965-V991 PolarHBondContact N-O 3.37Å; R965-V991 WeakPolarHBondContact O-CA 2.95Å; R965-V991 VanDerWaalsContact O-CB 3.23Å; R965-V991 WeakPolarHBondContact O-CB 2.96Å; R965-V991 WeakPolarHBondContact O-CG1 2.91Å | ||
| 966 | I | 78.6 | Confident | 73.9 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 52% | 0.518 | 33% | 0.33 | S | S | . | . | trans | -88.9 | 131.6 | 177.2 | -56.7 | 177.9 | 0 | 0 | 0 | 109.2 | T948 L949 L968 | T948-I966 CarbonylContact C-O 3.05Å; T948-I966 WeakPolarHBondContact CA-O 3.39Å; L949-I966 HydrophobicContact CD1-CB 4.05Å; L949-I966 HydrophobicContact CD1-CD1 4.29Å; L949-I966 HydrophobicContact CG-CB 4.26Å; L949-I966 PolarHBondContact N-O 3.48Å; I966-L968 HydrophobicContact CG2-CD2 3.71Å; I966-L968 HydrophobicContact CG2-CG 4.03Å | ||
| 967 | A | 83.6 | Confident | 74.6 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | W946 T948 K988 V991 | W946-A967 HydrophobicContact CE3-CB 4.16Å; T948-A967 HydrophobicContact CG2-CB 4.07Å; A967-K988 HydrophobicContact CB-CG 4.47Å; A967-V991 HydrophobicContact CB-CG1 3.66Å |
| 968 | L | 79.1 | Confident | 75.1 | Confident | 60 Ų | 60 | 60 Ų | 60 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 142.9 | 179.1 | -60.8 | 176.6 | 0 | 0 | 0 | 109.8 | W946 V947 L949 I966 T977 | W946-L968 WeakPolarHBondContact CA-O 3.23Å; V947-L968 PolarHBondContact N-O 3.02Å; V947-L968 PolarHBondContact O-N 2.02Å; L949-L968 HydrophobicContact CD2-CD1 4.49Å; I966-L968 HydrophobicContact CG2-CD2 3.71Å; I966-L968 HydrophobicContact CG2-CG 4.03Å; L968-T977 HydrophobicContact CB-CG2 4.31Å |
| 969 | C | 81 | Confident | 75.3 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.02 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 126.3 | 168.5 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | W946 T977 F978 C983 | W946-C969 HydrophobicContact CE3-CB 4.3Å; W946-C969 HydrophobicContact CH2-CB 4.44Å; W946-C969 HydrophobicContact CZ3-CB 4.1Å; C969-T977 CarbonylContact O-C 3.38Å; C969-T977 WeakPolarHBondContact O-CA 3Å; C969-T977 WeakPolarHBondContact O-CG2 3.17Å; C969-F978 HydrophobicContact CB-CB 4.39Å; C969-F978 PolarHBondContact O-N 2.61Å; C969-C983 WeakPolarHBondContact CA-SG 3.32Å; C969-C983 HydrophobicContact CB-CB 3.75Å; C969-C983 WeakPolarHBondContact CB-SG 3.35Å; C969-C983 WeakPolarHBondContact SG-CB 3.47Å; C969-C983 PolarHBondContact SG-N 3.04Å; C969-C983 CovalentContact SG-SG 2.02Å; C969-C983 PolarHBondContact SG-SG 3.1Å |
| 970 | K | 76.1 | Confident | 75.1 | Confident | 47 Ų | 47 | 66.2 Ų | 66.2 | 20% | 0.204 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 155.9 | -179.7 | -75.8 | -168.2 | 152.8 | -144.2 | 0 | 112.3 | P944 K945 V947 L974 K976 T977 | P944-K970 CarbonylContact C-O 3.58Å; P944-K970 WeakPolarHBondContact CA-O 3.28Å; P944-K970 WeakPolarHBondContact CB-O 2.98Å; K945-K970 PolarHBondContact N-O 3.37Å; K945-K970 PolarHBondContact O-N 2.76Å; V947-K970 HydrophobicContact CB-CD 4.3Å; V947-K970 HydrophobicContact CG2-CB 3.87Å; V947-K970 HydrophobicContact CG2-CD 4.07Å; V947-K970 HydrophobicContact CG2-CG 4.22Å; K970-L974 HydrophobicContact CD-CB 4.44Å; K970-L974 WeakPolarHBondContact CD-O 3.47Å; K970-L974 PolarHBondContact NZ-O 3.02Å; K970-K976 CarbonylContact C-O 3.58Å; K970-K976 WeakPolarHBondContact CA-O 3.05Å; K970-K976 WeakPolarHBondContact CB-O 3.4Å; K970-T977 WeakPolarHBondContact CE-OG1 3.37Å; K970-T977 HydrophobicContact CG-CG2 4.29Å |
| 971 | S | 75.6 | Confident | 74.9 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 11% | 0.105 | 36% | 0.358 | C | S | . | . | trans | -56.1 | 160.2 | 166.6 | 46.5 | 0 | 0 | 0 | 0 | 111.9 | D973 L974 T975 K976 | S971-D973 WeakPolarHBondContact CB-OD1 3.06Å; S971-D973 PolarHBondContact O-N 3.21Å; S971-D973 PolarHBondContact OG-OD1 1.99Å; S971-L974 WeakPolarHBondContact O-CA 3.41Å; S971-L974 PolarHBondContact O-N 2.8Å; S971-T975 PolarHBondContact OG-N 3.28Å; S971-K976 PolarHBondContact N-O 3Å; S971-K976 PolarHBondContact OG-N 3.43Å; S971-K976 PolarHBondContact OG-O 3.03Å | ||
| 972 | S | 66.3 | Low | 74.6 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -33.3 | 178.8 | 40.5 | 0 | 0 | 0 | 0 | 114 | D899 L974 | D899-S972 WeakPolarHBondContact OD2-CB 3.24Å; D899-S972 PolarHBondContact OD2-OG 3.13Å; S972-L974 VanDerWaalsContact C-N 3.32Å |
| 973 | D | 68.1 | Low | 74.3 | Confident | 93 Ų | 93 | 66.9 Ų | 66.9 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 1.2 | 174.7 | 72.2 | -16.5 | 0 | 0 | 0 | 114.1 | S971 T975 | S971-D973 WeakPolarHBondContact CB-OD1 3.06Å; S971-D973 PolarHBondContact O-N 3.21Å; S971-D973 PolarHBondContact OG-OD1 1.99Å; D973-T975 HydrophobicContact CB-CG2 4.35Å; D973-T975 PolarHBondContact O-N 3.34Å; D973-T975 VanDerWaalsContact O-N 3.15Å; D973-T975 PolarHBondContact OD1-N 3.01Å; D973-T975 PolarHBondContact OD1-OG1 3.2Å; D973-T975 WeakPolarHBondContact OD2-CB 3.45Å; D973-T975 WeakPolarHBondContact OD2-CG2 3.03Å; D973-T975 PolarHBondContact OD2-OG1 3.22Å |
| 974 | L | 67.4 | Low | 73.8 | Confident | 95 Ų | 95 | 69 Ų | 69 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 64.6 | 3 | -177.2 | -46.7 | 172.7 | 0 | 0 | 0 | 115.9 | V947 K970 S971 S972 | V947-L974 HydrophobicContact CG2-CD2 3.49Å; V947-L974 VanDerWaalsContact CG2-CD2 3.49Å; K970-L974 HydrophobicContact CD-CB 4.44Å; K970-L974 WeakPolarHBondContact CD-O 3.47Å; K970-L974 PolarHBondContact NZ-O 3.02Å; S971-L974 WeakPolarHBondContact O-CA 3.41Å; S971-L974 PolarHBondContact O-N 2.8Å; S972-L974 VanDerWaalsContact C-N 3.32Å |
| 975 | T | 69.1 | Low | 73 | Confident | 99 Ų | 99 | 69.9 Ų | 69.9 | 61% | 0.607 | 39% | 0.392 | S | S | * | . | trans | -76.5 | -50.3 | -173.1 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | S971 D973 | S971-T975 PolarHBondContact OG-N 3.28Å; D973-T975 HydrophobicContact CB-CG2 4.35Å; D973-T975 PolarHBondContact O-N 3.34Å; D973-T975 VanDerWaalsContact O-N 3.15Å; D973-T975 PolarHBondContact OD1-N 3.01Å; D973-T975 PolarHBondContact OD1-OG1 3.2Å; D973-T975 WeakPolarHBondContact OD2-CB 3.45Å; D973-T975 WeakPolarHBondContact OD2-CG2 3.03Å; D973-T975 PolarHBondContact OD2-OG1 3.22Å | ||
| 976 | K | 69.1 | Low | 72.2 | Confident | 139 Ų | 139 | 74.2 Ų | 74.2 | 60% | 0.604 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -91 | 141 | 178.6 | -71.7 | -177.3 | 176.5 | 175.4 | 0 | 111 | K970 S971 F978 | K970-K976 CarbonylContact C-O 3.58Å; K970-K976 WeakPolarHBondContact CA-O 3.05Å; K970-K976 WeakPolarHBondContact CB-O 3.4Å; S971-K976 PolarHBondContact N-O 3Å; S971-K976 PolarHBondContact OG-N 3.43Å; S971-K976 PolarHBondContact OG-O 3.03Å; K976-F978 HydrophobicContact CB-CE2 4.41Å; K976-F978 HydrophobicContact CB-CZ 4.23Å |
| 977 | T | 76.3 | Confident | 71.5 | Confident | 81 Ų | 81 | 74.5 Ų | 74.5 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.5 | 171.4 | -49.1 | 0 | 0 | 0 | 0 | 108.2 | L968 C969 K970 | L968-T977 HydrophobicContact CB-CG2 4.31Å; C969-T977 CarbonylContact O-C 3.38Å; C969-T977 WeakPolarHBondContact O-CA 3Å; C969-T977 WeakPolarHBondContact O-CG2 3.17Å; K970-T977 WeakPolarHBondContact CE-OG1 3.37Å; K970-T977 HydrophobicContact CG-CG2 4.29Å |
| 978 | F | 76.8 | Confident | 71.3 | Confident | 77 Ų | 77 | 78.4 Ų | 78.4 | 34% | 0.338 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 162.8 | -177.2 | -66.9 | -68.2 | 0 | 0 | 0 | 111.4 | P944 C969 K976 T982 | P944-F978 HydrophobicContact CB-CD2 3.68Å; P944-F978 HydrophobicContact CB-CE2 3.99Å; P944-F978 HydrophobicContact CG-CD2 4.18Å; C969-F978 HydrophobicContact CB-CB 4.39Å; C969-F978 PolarHBondContact O-N 2.61Å; K976-F978 HydrophobicContact CB-CE2 4.41Å; K976-F978 HydrophobicContact CB-CZ 4.23Å; F978-T982 HydrophobicContact CB-CG2 4.29Å; F978-T982 HydrophobicContact CG-CG2 4.37Å |
| 979 | P | 73.9 | Confident | 71.3 | Confident | 77 Ų | 77 | 77.3 Ų | 77.3 | 50% | 0.5 | 43% | 0.428 | S | S | . | . | trans | -52.4 | 148.7 | 169.1 | -27.9 | 36.3 | 0 | 0 | 0 | 112.8 | T981 T982 | P979-T981 PolarHBondContact O-N 3.47Å; P979-T982 PolarHBondContact O-N 2.94Å; P979-T982 PolarHBondContact O-OG1 2.03Å | ||
| 980 | P | 66.3 | Low | 71.1 | Confident | 84 Ų | 84 | 81 Ų | 81 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -14.6 | 176.7 | -28.4 | 36.7 | 0 | 0 | 0 | 115.7 | W946 | W946-P980 HydrophobicContact CH2-CB 3.95Å; W946-P980 VanDerWaalsContact CH2-O 3.23Å; W946-P980 WeakPolarHBondContact CH2-O 3.46Å; W946-P980 WeakPolarHBondContact CZ2-O 3.28Å |
| 981 | T | 66.8 | Low | 71.2 | Confident | 127 Ų | 127 | 81.8 Ų | 81.8 | 78% | 0.779 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -14.1 | 177.4 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | P979 | P979-T981 PolarHBondContact O-N 3.47Š|
| 982 | T | 71.4 | Confident | 71.5 | Confident | 68 Ų | 68 | 87.7 Ų | 87.7 | 42% | 0.417 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -21.5 | -177.5 | -39.2 | 0 | 0 | 0 | 0 | 112.4 | P944 F978 P979 | P944-T982 HydrophobicContact CG-CG2 3.97Å; P944-T982 VanDerWaalsContact CG-O 3.32Å; P944-T982 WeakPolarHBondContact CG-O 3.44Å; F978-T982 HydrophobicContact CB-CG2 4.29Å; F978-T982 HydrophobicContact CG-CG2 4.37Å; P979-T982 PolarHBondContact O-N 2.94Å; P979-T982 PolarHBondContact O-OG1 2.03Å |
| 983 | C | 73.2 | Confident | 72.2 | Confident | 3 Ų | 3 | 89.4 Ų | 89.4 | 2% | 0.02 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -96.1 | 140.6 | 171.7 | -70.5 | 0 | 0 | 0 | 0 | 110.3 | P944 W946 C969 S985 | P944-C983 PolarHBondContact O-SG 2.81Å; W946-C983 HydrophobicContact CD2-CB 3.85Å; W946-C983 HydrophobicContact CG-CB 4.18Å; W946-C983 HydrophobicContact CH2-CB 4.38Å; W946-C983 HydrophobicContact CZ2-CB 3.68Å; C969-C983 WeakPolarHBondContact CA-SG 3.32Å; C969-C983 HydrophobicContact CB-CB 3.75Å; C969-C983 WeakPolarHBondContact CB-SG 3.35Å; C969-C983 WeakPolarHBondContact SG-CB 3.47Å; C969-C983 PolarHBondContact SG-N 3.04Å; C969-C983 CovalentContact SG-SG 2.02Å; C969-C983 PolarHBondContact SG-SG 3.1Å; C983-S985 PolarHBondContact O-N 2.84Å |
| 984 | L | 69.9 | Low | 72.8 | Confident | 101 Ų | 101 | 95 Ų | 95 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | trans | -59.4 | 121.7 | -178.3 | -70 | 167 | 0 | 0 | 0 | 112 | W946 H986 N987 | W946-L984 PolarHBondContact NE1-O 2.93Å; L984-H986 VanDerWaalsContact C-N 3.31Å; L984-H986 PolarHBondContact O-N 3.32Å; L984-N987 PolarHBondContact O-N 3.14Å; L984-N987 VanDerWaalsContact O-N 3.17Å | ||
| 985 | S | 62.8 | Low | 73.1 | Confident | 96 Ų | 96 | 91.7 Ų | 91.7 | 67% | 0.671 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -60.4 | -34.3 | -171.5 | -51.6 | 0 | 0 | 0 | 0 | 114.3 | C983 N987 K988 | C983-S985 PolarHBondContact O-N 2.84Å; S985-N987 VanDerWaalsContact C-N 3.28Å; S985-N987 PolarHBondContact O-N 3.26Å; S985-K988 VanDerWaalsContact O-CB 3.25Å; S985-K988 WeakPolarHBondContact O-CB 3.35Å; S985-K988 PolarHBondContact O-N 3.34Å |
| 986 | H | 64.6 | Low | 73.2 | Confident | 141 Ų | 141 | 91.8 Ų | 91.8 | 65% | 0.653 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -66.8 | -29 | -179.3 | 59.7 | -105.9 | 0 | 0 | 0 | 112.7 | L984 K988 | L984-H986 VanDerWaalsContact C-N 3.31Å; L984-H986 PolarHBondContact O-N 3.32Å; H986-K988 VanDerWaalsContact C-N 3.3Å; H986-K988 PolarHBondContact O-N 3.08Å |
| 987 | N | 64.8 | Low | 72.7 | Confident | 106 Ų | 106 | 87.5 Ų | 87.5 | 57% | 0.567 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -88.4 | 10.7 | 177.7 | -76.6 | -29.5 | 0 | 0 | 0 | 113.2 | W946 L984 S985 P989 | W946-N987 VanDerWaalsContact CD1-C 3.47Å; W946-N987 VanDerWaalsContact CD1-O 3.22Å; L984-N987 PolarHBondContact O-N 3.14Å; L984-N987 VanDerWaalsContact O-N 3.17Å; S985-N987 VanDerWaalsContact C-N 3.28Å; S985-N987 PolarHBondContact O-N 3.26Å; N987-P989 VanDerWaalsContact O-CD 3.23Å; N987-P989 WeakPolarHBondContact O-CD 3.14Å |
| 988 | K | 78.1 | Confident | 72 | Confident | 94 Ų | 94 | 86.4 Ų | 86.4 | 41% | 0.409 | 48% | 0.48 | S | S | . | . | trans | -74.1 | 115 | -178.6 | -171.2 | 173.6 | -173.3 | 175.5 | 0 | 110.8 | W946 A967 S985 H986 | W946-K988 HydrophobicContact CD2-CB 4.13Å; W946-K988 HydrophobicContact CD2-CG 3.86Å; W946-K988 HydrophobicContact CE3-CD 4.44Å; W946-K988 HydrophobicContact CE3-CG 4.05Å; W946-K988 HydrophobicContact CG-CB 4.42Å; W946-K988 HydrophobicContact CG-CG 4.46Å; W946-K988 HydrophobicContact CH2-CD 3.69Å; W946-K988 HydrophobicContact CH2-CG 4.09Å; W946-K988 HydrophobicContact CZ2-CB 4Å; W946-K988 HydrophobicContact CZ2-CD 3.75Å; W946-K988 HydrophobicContact CZ2-CG 3.88Å; W946-K988 HydrophobicContact CZ3-CD 4.05Å; W946-K988 HydrophobicContact CZ3-CG 4.17Å; A967-K988 HydrophobicContact CB-CG 4.47Å; S985-K988 VanDerWaalsContact O-CB 3.25Å; S985-K988 WeakPolarHBondContact O-CB 3.35Å; S985-K988 PolarHBondContact O-N 3.34Å; H986-K988 VanDerWaalsContact C-N 3.3Å; H986-K988 PolarHBondContact O-N 3.08Å | ||
| 989 | P | 80 | Confident | 71.1 | Confident | 36 Ų | 36 | 94.6 Ų | 94.6 | 23% | 0.234 | 51% | 0.509 | C | S | . | . | trans | -64.6 | 149.8 | -177.7 | -22 | 34.6 | 0 | 0 | 0 | 111.7 | W946 T948 N987 V991 | W946-P989 HydrophobicContact CB-CG 4Å; T948-P989 HydrophobicContact CG2-CB 3.69Å; T948-P989 HydrophobicContact CG2-CG 3.89Å; N987-P989 VanDerWaalsContact O-CD 3.23Å; N987-P989 WeakPolarHBondContact O-CD 3.14Å; P989-V991 PolarHBondContact O-N 2.9Å | ||
| 990 | P | 76.1 | Confident | 70.6 | Confident | 80 Ų | 80 | 92.8 Ų | 92.8 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | trans | -61.1 | 126.7 | -177.5 | 22.6 | -32.9 | 0 | 0 | 0 | 111.1 | W951 R965 | W951-P990 VanDerWaalsContact CH2-O 3.25Å; W951-P990 WeakPolarHBondContact CH2-O 3.5Å; R965-P990 PolarHBondContact NE-O 3.5Å; R965-P990 PolarHBondContact NH2-O 2.93Å | ||
| 991 | V | 79.8 | Confident | 70.7 | Confident | 65 Ų | 65 | 92.6 Ų | 92.6 | 39% | 0.394 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -89.8 | -4.6 | 178.9 | -68.1 | 0 | 0 | 0 | 0 | 113.4 | H964 R965 A967 P989 | H964-V991 CarbonylContact C-O 2.91Å; H964-V991 VanDerWaalsContact CA-O 3.27Å; H964-V991 WeakPolarHBondContact CA-O 3.46Å; R965-V991 PolarHBondContact N-O 3.37Å; R965-V991 WeakPolarHBondContact O-CA 2.95Å; R965-V991 VanDerWaalsContact O-CB 3.23Å; R965-V991 WeakPolarHBondContact O-CB 2.96Å; R965-V991 WeakPolarHBondContact O-CG1 2.91Å; A967-V991 HydrophobicContact CB-CG1 3.66Å; P989-V991 PolarHBondContact O-N 2.9Å |
| 992 | R | 81.4 | Confident | 70.8 | Confident | 139 Ų | 139 | 91.7 Ų | 91.7 | 53% | 0.525 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 134.6 | 178.7 | 179.8 | 172.6 | 174.1 | -175 | -1.6 | 108.9 | F962 K963 H964 | F962-R992 HydrophobicContact CB-CG 4.21Å; F962-R992 HydrophobicContact CD1-CG 3.68Å; F962-R992 VanDerWaalsContact CD2-NH2 3.3Å; F962-R992 HydrophobicContact CE1-CG 4.44Å; F962-R992 HydrophobicContact CG-CG 4.26Å; K963-R992 WeakPolarHBondContact O-CA 3.5Å; H964-R992 WeakPolarHBondContact NE2-CD 3.07Å |
| 993 | M | 79.9 | Confident | 70.8 | Confident | 77 Ų | 77 | 89.5 Ų | 89.5 | 38% | 0.379 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 140.3 | -178.2 | 174.5 | 178.3 | -79.2 | 0 | 0 | 109.9 | W951 F962 K963 | W951-M993 HydrophobicContact CE3-CB 4.35Å; W951-M993 HydrophobicContact CH2-CB 3.35Å; W951-M993 HydrophobicContact CH2-CE 4.4Å; W951-M993 HydrophobicContact CH2-CG 4.48Å; W951-M993 HydrophobicContact CZ2-CB 3.76Å; W951-M993 HydrophobicContact CZ2-CE 3.71Å; W951-M993 HydrophobicContact CZ2-CG 4.47Å; W951-M993 HydrophobicContact CZ2-SD 3.94Å; W951-M993 HydrophobicContact CZ3-CB 3.68Å; F962-M993 VanDerWaalsContact CA-O 3.31Å; F962-M993 WeakPolarHBondContact CA-O 3.4Å; K963-M993 WeakPolarHBondContact CE-SD 3.38Å; K963-M993 HydrophobicContact CG-CB 4.13Å; K963-M993 PolarHBondContact N-O 3.21Å; K963-M993 PolarHBondContact O-N 2.94Å |
| 994 | R | 80.2 | Confident | 71 | Confident | 211 Ų | 211 | 97.7 Ų | 97.7 | 80% | 0.796 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 145 | 174.1 | -69.3 | -177.6 | -176.4 | -167.2 | 1.8 | 110.4 | G961 F962 | G961-R994 WeakPolarHBondContact O-CA 3.31Å; F962-R994 HydrophobicContact CD1-CG 4.01Å; F962-R994 HydrophobicContact CE1-CG 3.47Å; F962-R994 VanDerWaalsContact CE1-CG 3.47Å; F962-R994 HydrophobicContact CZ-CG 4.03Å |
| 995 | C | 75 | Confident | 71.5 | Confident | 24 Ų | 24 | 95.1 Ų | 95.1 | 16% | 0.162 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 159.3 | 176.6 | 48.3 | 0 | 0 | 0 | 0 | 109.9 | C954 G961 F962 K963 | C954-C995 VanDerWaalsContact CA-SG 3.57Å; C954-C995 HydrophobicContact CB-CB 3.92Å; C954-C995 WeakPolarHBondContact CB-SG 3.25Å; C954-C995 WeakPolarHBondContact SG-CB 3.41Å; C954-C995 CovalentContact SG-SG 2.03Å; C954-C995 PolarHBondContact SG-SG 2.62Å; G961-C995 PolarHBondContact N-O 3.02Å; G961-C995 PolarHBondContact O-N 2.95Å; F962-C995 VanDerWaalsContact CA-SG 3.58Å; K963-C995 HydrophobicContact CG-CB 4.48Å; K963-C995 PolarHBondContact N-SG 3.02Å; K963-C995 VanDerWaalsContact N-SG 3.37Å |
| 996 | S | 71.9 | Confident | 72.4 | Confident | 102 Ų | 102 | 93.4 Ų | 93.4 | 71% | 0.713 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 95.3 | -172.8 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | G959 G998 | G959-S996 CarbonylContact O-C 3.55Å; G959-S996 WeakPolarHBondContact O-CA 3.07Å; S996-G998 VanDerWaalsContact C-N 3.29Å; S996-G998 PolarHBondContact O-N 3.43Å |
| 997 | S | 58.3 | Low | 73.2 | Confident | 49 Ų | 49 | 89.3 Ų | 89.3 | 34% | 0.343 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 61.9 | -174.4 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | C954 K957 C958 G959 | C954-S997 WeakPolarHBondContact CB-OG 3.41Å; K957-S997 WeakPolarHBondContact O-CB 3.39Å; C958-S997 VanDerWaalsContact CA-O 3.28Å; C958-S997 WeakPolarHBondContact CA-O 3.19Å; G959-S997 PolarHBondContact N-O 3.46Å; G959-S997 PolarHBondContact O-N 3.08Å |
| 998 | G | 60.8 | Low | 73.7 | Confident | 57 Ų | 57 | 85.5 Ų | 85.5 | 59% | 0.588 | 45% | 0.448 | S | S | * | . | trans | 64.3 | -167.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | G959 S996 | G959-G998 WeakPolarHBondContact CA-O 3.35Å; G959-G998 PolarHBondContact N-O 2.79Å; G959-G998 VanDerWaalsContact N-O 3.08Å; S996-G998 VanDerWaalsContact C-N 3.29Å; S996-G998 PolarHBondContact O-N 3.43Å | ||
| 999 | R | 58.6 | Low | 74 | Confident | 250 Ų | 250 | 88.3 Ų | 88.3 | 94% | 0.943 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -87.4 | 136 | 176.1 | -64.3 | -174.3 | -177.6 | -170.1 | 1.1 | 110.2 | ||
| 1000 | C | 63 | Low | 74 | Confident | 38 Ų | 38 | 89.5 Ų | 89.5 | 26% | 0.257 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 156.4 | 172.4 | -66.8 | 0 | 0 | 0 | 0 | 112 | C958 Y1031 | C958-C1000 HydrophobicContact CB-CB 4.02Å; C958-C1000 WeakPolarHBondContact CB-SG 3.12Å; C958-C1000 PolarHBondContact O-SG 2.74Å; C958-C1000 VanDerWaalsContact SG-CA 3.52Å; C958-C1000 WeakPolarHBondContact SG-CB 3.4Å; C958-C1000 CovalentContact SG-SG 2.05Å; C958-C1000 PolarHBondContact SG-SG 2.87Å; C1000-Y1031 HydrophobicContact CB-CD1 3.65Å; C1000-Y1031 HydrophobicContact CB-CE1 3.48Å; C1000-Y1031 VanDerWaalsContact CB-CE1 3.48Å; C1000-Y1031 HydrophobicContact CB-CE2 4.44Å; C1000-Y1031 HydrophobicContact CB-CG 4.23Å; C1000-Y1031 VanDerWaalsContact SG-CE1 3.55Å; C1000-Y1031 PolarHBondContact SG-OH 2.93Å |
| 1001 | P | 67.3 | Low | 74 | Confident | 81 Ų | 81 | 87.5 Ų | 87.5 | 53% | 0.526 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 145.2 | 173.9 | -21.7 | 33.5 | 0 | 0 | 0 | 112.1 | ||
| 1002 | P | 69.2 | Low | 73.9 | Confident | 107 Ų | 107 | 93.5 Ų | 93.5 | 70% | 0.695 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 156.4 | 174.4 | 29.3 | -35.2 | 0 | 0 | 0 | 111.5 | ||
| 1003 | P | 72.8 | Confident | 73.7 | Confident | 23 Ų | 23 | 88.5 Ų | 88.5 | 15% | 0.149 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 148.8 | 172.5 | 24.9 | -30.6 | 0 | 0 | 0 | 111.1 | L1029 E1038 C1039 | P1003-L1029 CarbonylContact C-O 3.53Å; P1003-L1029 VanDerWaalsContact CA-O 3.24Å; P1003-L1029 WeakPolarHBondContact CA-O 2.99Å; P1003-L1029 WeakPolarHBondContact CB-O 3.41Å; P1003-E1038 HydrophobicContact CG-CB 3.77Å; P1003-C1039 VanDerWaalsContact C-SG 3.55Å |
| 1004 | R | 76 | Confident | 73.6 | Confident | 174 Ų | 174 | 89.2 Ų | 89.2 | 66% | 0.657 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149.6 | -177.5 | 65.7 | 177.9 | -177.7 | 165.6 | 1.6 | 111.8 | I1006 L1029 C1039 | R1004-I1006 HydrophobicContact CG-CG1 4.18Å; R1004-I1006 PolarHBondContact O-N 3.39Å; R1004-L1029 PolarHBondContact N-O 2.81Å; R1004-L1029 PolarHBondContact O-N 2.95Å; R1004-C1039 PolarHBondContact N-SG 2.7Å |
| 1005 | W | 81.8 | Confident | 72.6 | Confident | 47 Ų | 47 | 80.2 Ų | 80.2 | 18% | 0.178 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 126.7 | 167.8 | -66.7 | 109.5 | 0 | 0 | 0 | 110.1 | V1026 T1027 C1028 C1039 P1040 R1044 P1045 | W1005-V1026 HydrophobicContact CE3-CG2 4.3Å; W1005-V1026 HydrophobicContact CZ3-CG2 4.39Å; W1005-T1027 WeakPolarHBondContact CA-O 3.04Å; W1005-C1028 HydrophobicContact CD2-CB 4.26Å; W1005-C1028 HydrophobicContact CE3-CB 3.83Å; W1005-C1028 HydrophobicContact CH2-CB 4.09Å; W1005-C1028 HydrophobicContact CZ3-CB 3.74Å; W1005-C1039 HydrophobicContact CD2-CB 3.92Å; W1005-C1039 VanDerWaalsContact CE2-CB 3.48Å; W1005-C1039 HydrophobicContact CG-CB 4.07Å; W1005-C1039 HydrophobicContact CZ2-CB 3.95Å; W1005-P1040 PolarHBondContact NE1-O 3.35Å; W1005-R1044 HydrophobicContact CD2-CB 4.25Å; W1005-R1044 HydrophobicContact CD2-CG 3.98Å; W1005-R1044 HydrophobicContact CE3-CG 4.24Å; W1005-R1044 HydrophobicContact CG-CB 4.45Å; W1005-R1044 HydrophobicContact CH2-CG 4.27Å; W1005-R1044 HydrophobicContact CZ2-CB 4.2Å; W1005-R1044 HydrophobicContact CZ2-CG 3.98Å; W1005-R1044 HydrophobicContact CZ3-CG 4.38Å; W1005-P1045 VanDerWaalsContact CB-CD 3.45Å; W1005-P1045 HydrophobicContact CB-CG 4.11Å |
| 1006 | I | 80.2 | Confident | 72.2 | Confident | 61 Ų | 61 | 88.5 Ų | 88.5 | 31% | 0.313 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116 | 169 | -57.5 | -164 | 0 | 0 | 0 | 107.4 | R1004 T1027 L1029 | R1004-I1006 HydrophobicContact CG-CG1 4.18Å; R1004-I1006 PolarHBondContact O-N 3.39Å; I1006-T1027 PolarHBondContact N-O 3.11Å; I1006-T1027 PolarHBondContact O-N 3.19Å; I1006-T1027 PolarHBondContact O-OG1 2.05Å; I1006-L1029 HydrophobicContact CB-CD1 4.28Å; I1006-L1029 HydrophobicContact CD1-CB 4.42Å; I1006-L1029 HydrophobicContact CD1-CD1 4.05Å; I1006-L1029 HydrophobicContact CG1-CD1 4.35Å |
| 1007 | P | 80.9 | Confident | 71.8 | Confident | 54 Ų | 54 | 87.5 Ų | 87.5 | 35% | 0.351 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 138.3 | 170.8 | 30.4 | -31.1 | 0 | 0 | 0 | 110.1 | V1026 P1045 | P1007-V1026 HydrophobicContact CB-CG1 4.16Å; P1007-P1045 HydrophobicContact CB-CB 4.33Å; P1007-P1045 HydrophobicContact CB-CG 4.4Å; P1007-P1045 HydrophobicContact CG-CG 4.41Å |
| 1008 | G | 76.9 | Confident | 72.2 | Confident | 26 Ų | 26 | 86.3 Ų | 86.3 | 27% | 0.268 | 48% | 0.478 | S | S | . | . | trans | -77.7 | 176.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1024 T1025 | G1008-R1024 VanDerWaalsContact O-CD 3.25Å; G1008-R1024 WeakPolarHBondContact O-CD 3.28Å; G1008-T1025 PolarHBondContact N-O 2.87Å | ||
| 1009 | D | 83 | Confident | 72.6 | Confident | 154 Ų | 154 | 89 Ų | 89 | 82% | 0.824 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 156.7 | 174.2 | -61.9 | -59.6 | 0 | 0 | 0 | 112.2 | R1024 | D1009-R1024 VanDerWaalsContact O-CB 3.23Å; D1009-R1024 WeakPolarHBondContact O-CB 3.33Å |
| 1010 | W | 81 | Confident | 73.3 | Confident | 61 Ų | 61 | 77.4 Ų | 77.4 | 23% | 0.231 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 130.8 | 175.1 | -65.1 | 105.2 | 0 | 0 | 0 | 110.8 | Q1022 R1024 A1046 T1047 Q1049 | W1010-Q1022 HydrophobicContact CB-CB 4.4Å; W1010-Q1022 HydrophobicContact CB-CG 4.23Å; W1010-Q1022 VanDerWaalsContact CB-OE1 3.28Å; W1010-Q1022 HydrophobicContact CD2-CG 4.24Å; W1010-Q1022 HydrophobicContact CE3-CB 4.43Å; W1010-Q1022 HydrophobicContact CE3-CG 3.99Å; W1010-Q1022 HydrophobicContact CG-CG 4.36Å; W1010-Q1022 VanDerWaalsContact CZ3-O 3.32Å; W1010-Q1022 WeakPolarHBondContact CZ3-O 3.48Å; W1010-R1024 HydrophobicContact CD2-CB 3.98Å; W1010-R1024 HydrophobicContact CD2-CG 4.03Å; W1010-R1024 HydrophobicContact CE3-CB 3.65Å; W1010-R1024 HydrophobicContact CE3-CG 3.71Å; W1010-R1024 HydrophobicContact CH2-CG 3.85Å; W1010-R1024 HydrophobicContact CZ2-CG 4.16Å; W1010-R1024 VanDerWaalsContact CZ2-NE 3.25Å; W1010-R1024 HydrophobicContact CZ3-CB 4.03Å; W1010-R1024 HydrophobicContact CZ3-CG 3.59Å; W1010-A1046 WeakPolarHBondContact CH2-O 3.38Å; W1010-T1047 WeakPolarHBondContact CZ3-O 3.24Å; W1010-Q1049 HydrophobicContact CD2-CG 3.9Å; W1010-Q1049 HydrophobicContact CE3-CG 3.96Å; W1010-Q1049 HydrophobicContact CH2-CB 3.7Å; W1010-Q1049 HydrophobicContact CH2-CG 3.59Å; W1010-Q1049 HydrophobicContact CZ2-CB 3.91Å; W1010-Q1049 HydrophobicContact CZ2-CG 3.5Å; W1010-Q1049 VanDerWaalsContact CZ2-CG 3.5Å; W1010-Q1049 HydrophobicContact CZ3-CB 4.19Å; W1010-Q1049 HydrophobicContact CZ3-CG 3.82Å |
| 1011 | G | 75.8 | Confident | 74.1 | Confident | 37 Ų | 37 | 80.6 Ų | 80.6 | 38% | 0.381 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 172.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1022 M1023 | G1011-Q1022 WeakPolarHBondContact O-CB 3.41Å; G1011-M1023 PolarHBondContact N-O 3.24Å |
| 1012 | Q | 77.4 | Confident | 74.5 | Confident | 191 Ų | 191 | 78.5 Ų | 78.5 | 89% | 0.893 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 145.9 | -179.4 | -68.3 | -178.5 | -16.2 | 0 | 0 | 112.4 | ||
| 1013 | C | 78.3 | Confident | 75 | Confident | 35 Ų | 35 | 78.9 Ų | 78.9 | 24% | 0.236 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -64 | 133.4 | 176.8 | -166.2 | 0 | 0 | 0 | 0 | 110.7 | A1015 C1051 | C1013-A1015 PolarHBondContact O-N 2.83Å; C1013-C1051 WeakPolarHBondContact CA-SG 3.14Å; C1013-C1051 HydrophobicContact CB-CB 3.82Å; C1013-C1051 WeakPolarHBondContact CB-SG 3.02Å; C1013-C1051 WeakPolarHBondContact SG-CB 3.3Å; C1013-C1051 CovalentContact SG-SG 2.03Å; C1013-C1051 PolarHBondContact SG-SG 3.22Å |
| 1014 | S | 76.7 | Confident | 75.2 | Confident | 92 Ų | 92 | 80.3 Ų | 80.3 | 64% | 0.643 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -67.1 | -14.8 | -177.6 | 63.2 | 0 | 0 | 0 | 0 | 114.7 | Q1021 | S1014-Q1021 WeakPolarHBondContact CB-O 3.25Å; S1014-Q1021 PolarHBondContact N-O 3Å; S1014-Q1021 PolarHBondContact OG-N 3.29Å; S1014-Q1021 PolarHBondContact OG-O 3.43Å |
| 1015 | A | 60.4 | Low | 75.4 | Confident | 22 Ų | 22 | 76.8 Ų | 76.8 | 18% | 0.182 | 43% | 0.425 | C | S | . | . | trans | -103.5 | 131.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | C1013 C1017 S1053 | C1013-A1015 PolarHBondContact O-N 2.83Å; A1015-C1017 VanDerWaalsContact C-N 3.32Å; A1015-S1053 WeakPolarHBondContact O-CB 3.08Å; A1015-S1053 PolarHBondContact O-OG 2.91Å | ||
| 1016 | Q | 65.7 | Low | 75.5 | Confident | 198 Ų | 198 | 75.4 Ų | 75.4 | 93% | 0.925 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -79.1 | -13.9 | 174.9 | -70.4 | -177.1 | -37 | 0 | 0 | 113.6 | S1053 | Q1016-S1053 VanDerWaalsContact C-OG 3.32Š|
| 1017 | C | 64 | Low | 75.5 | Confident | 81 Ų | 81 | 75 Ų | 75 | 55% | 0.547 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -153 | 133.7 | 172.7 | 175.9 | 0 | 0 | 0 | 0 | 109.2 | A1015 S1053 C1055 | A1015-C1017 VanDerWaalsContact C-N 3.32Å; C1017-S1053 VanDerWaalsContact CA-OG 3.28Å; C1017-S1053 WeakPolarHBondContact CA-OG 3.39Å; C1017-S1053 PolarHBondContact N-OG 2.94Å; C1017-S1053 VanDerWaalsContact N-OG 3.13Å; C1017-C1055 WeakPolarHBondContact CA-SG 3.48Å; C1017-C1055 HydrophobicContact CB-CB 3.91Å; C1017-C1055 WeakPolarHBondContact CB-SG 3.31Å; C1017-C1055 WeakPolarHBondContact SG-CB 3.4Å; C1017-C1055 CovalentContact SG-SG 2.03Å; C1017-C1055 PolarHBondContact SG-SG 2.97Å |
| 1018 | G | 67.3 | Low | 75.6 | Confident | 24 Ų | 24 | 72.8 Ų | 72.8 | 25% | 0.247 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.3 | -156.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1052 S1053 | G1018-E1052 WeakPolarHBondContact O-CA 3.39Å; G1018-S1053 PolarHBondContact N-O 3.45Å; G1018-S1053 PolarHBondContact N-OG 2.85Å; G1018-S1053 PolarHBondContact O-N 3.45Å; G1018-S1053 PolarHBondContact O-OG 2.96Å |
| 1019 | L | 69.4 | Low | 75.4 | Confident | 112 Ų | 112 | 73.1 Ų | 73.1 | 59% | 0.586 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 127.1 | -174.5 | -69.1 | 171.3 | 0 | 0 | 0 | 112.6 | C1051 E1052 | L1019-C1051 WeakPolarHBondContact CA-O 3.38Å; L1019-E1052 HydrophobicContact CD2-CB 4.02Å; L1019-E1052 HydrophobicContact CD2-CG 4.12Å |
| 1020 | G | 73.1 | Confident | 74.9 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 8% | 0.082 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | -163.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1050 C1051 | G1020-Q1050 VanDerWaalsContact O-CG 3.31Å; G1020-Q1050 WeakPolarHBondContact O-CG 3.26Å; G1020-C1051 PolarHBondContact N-O 3.32Å; G1020-C1051 PolarHBondContact O-N 2.86Å; G1020-C1051 PolarHBondContact O-SG 3.07Å |
| 1021 | Q | 78.3 | Confident | 74.3 | Confident | 105 Ų | 105 | 69.7 Ų | 69.7 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 144.1 | 175.5 | -68.4 | 177 | -11.7 | 0 | 0 | 111 | S1014 M1048 Q1049 C1051 | S1014-Q1021 WeakPolarHBondContact CB-O 3.25Å; S1014-Q1021 PolarHBondContact N-O 3Å; S1014-Q1021 PolarHBondContact OG-N 3.29Å; S1014-Q1021 PolarHBondContact OG-O 3.43Å; Q1021-M1048 HydrophobicContact CB-CG 4.49Å; Q1021-M1048 PolarHBondContact OE1-SD 2.98Å; Q1021-M1048 VanDerWaalsContact OE1-SD 3.39Å; Q1021-Q1049 WeakPolarHBondContact CA-O 3.23Å; Q1021-C1051 VanDerWaalsContact CA-SG 3.54Å; Q1021-C1051 PolarHBondContact N-SG 2.03Å; Q1021-C1051 VanDerWaalsContact N-SG 3.36Å |
| 1022 | Q | 77.3 | Confident | 73.7 | Confident | 37 Ų | 37 | 71.4 Ų | 71.4 | 17% | 0.173 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143.7 | 176 | 54.7 | -173.9 | -27 | 0 | 0 | 109.1 | W1010 G1011 M1048 Q1049 Q1050 C1051 | W1010-Q1022 HydrophobicContact CB-CB 4.4Å; W1010-Q1022 HydrophobicContact CB-CG 4.23Å; W1010-Q1022 VanDerWaalsContact CB-OE1 3.28Å; W1010-Q1022 HydrophobicContact CD2-CG 4.24Å; W1010-Q1022 HydrophobicContact CE3-CB 4.43Å; W1010-Q1022 HydrophobicContact CE3-CG 3.99Å; W1010-Q1022 HydrophobicContact CG-CG 4.36Å; W1010-Q1022 VanDerWaalsContact CZ3-O 3.32Å; W1010-Q1022 WeakPolarHBondContact CZ3-O 3.48Å; G1011-Q1022 WeakPolarHBondContact O-CB 3.41Å; Q1022-M1048 WeakPolarHBondContact O-CA 3.17Å; Q1022-Q1049 HydrophobicContact CG-CG 3.59Å; Q1022-Q1049 WeakPolarHBondContact CG-O 3Å; Q1022-Q1049 PolarHBondContact N-O 2.91Å; Q1022-Q1049 PolarHBondContact O-N 3.47Å; Q1022-Q1050 PolarHBondContact NE2-O 3Å; Q1022-C1051 HydrophobicContact CB-CB 4.37Å; Q1022-C1051 HydrophobicContact CG-CB 3.94Å |
| 1023 | M | 78.2 | Confident | 73 | Confident | 114 Ų | 114 | 64.8 Ų | 64.8 | 56% | 0.562 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 149 | -177.9 | -65.8 | -177.5 | 70.6 | 0 | 0 | 110.8 | G1011 T1047 M1048 | G1011-M1023 PolarHBondContact N-O 3.24Å; M1023-T1047 CarbonylContact C-O 3.57Å; M1023-T1047 VanDerWaalsContact CA-O 3.26Å; M1023-T1047 WeakPolarHBondContact CA-O 3Å; M1023-M1048 HydrophobicContact CE-CE 4.06Å; M1023-M1048 HydrophobicContact CG-CB 4.47Å; M1023-M1048 HydrophobicContact CG-CE 3.9Å; M1023-M1048 HydrophobicContact CG-CG 4.35Å; M1023-M1048 HydrophobicContact SD-CE 3.72Å |
| 1024 | R | 77.9 | Confident | 72.6 | Confident | 54 Ų | 54 | 69.3 Ų | 69.3 | 20% | 0.204 | 39% | 0.388 | C | S | . | . | trans | -133.4 | 155.7 | 174.4 | 68.3 | 177.3 | 168.4 | -166.2 | -9.4 | 111.9 | G1008 D1009 W1010 V1026 A1046 T1047 | G1008-R1024 VanDerWaalsContact O-CD 3.25Å; G1008-R1024 WeakPolarHBondContact O-CD 3.28Å; D1009-R1024 VanDerWaalsContact O-CB 3.23Å; D1009-R1024 WeakPolarHBondContact O-CB 3.33Å; W1010-R1024 HydrophobicContact CD2-CB 3.98Å; W1010-R1024 HydrophobicContact CD2-CG 4.03Å; W1010-R1024 HydrophobicContact CE3-CB 3.65Å; W1010-R1024 HydrophobicContact CE3-CG 3.71Å; W1010-R1024 HydrophobicContact CH2-CG 3.85Å; W1010-R1024 HydrophobicContact CZ2-CG 4.16Å; W1010-R1024 VanDerWaalsContact CZ2-NE 3.25Å; W1010-R1024 HydrophobicContact CZ3-CB 4.03Å; W1010-R1024 HydrophobicContact CZ3-CG 3.59Å; R1024-V1026 HydrophobicContact CG-CG1 4.3Å; R1024-A1046 VanDerWaalsContact CZ-O 3.31Å; R1024-A1046 PolarHBondContact NE-O 3.04Å; R1024-A1046 PolarHBondContact NH2-O 3.16Å; R1024-T1047 PolarHBondContact N-O 2.84Å | ||
| 1025 | T | 79.6 | Confident | 72.2 | Confident | 100 Ų | 100 | 72.8 Ų | 72.8 | 61% | 0.613 | 40% | 0.396 | S | S | * | . | trans | -74.1 | 148.9 | 164.4 | 52.4 | 0 | 0 | 0 | 0 | 110.2 | G1008 | G1008-T1025 PolarHBondContact N-O 2.87Š| ||
| 1026 | V | 84.4 | Confident | 72.8 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 10% | 0.103 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 127.5 | 166.7 | -58.3 | 0 | 0 | 0 | 0 | 107.7 | W1005 P1007 R1024 R1044 P1045 T1047 | W1005-V1026 HydrophobicContact CE3-CG2 4.3Å; W1005-V1026 HydrophobicContact CZ3-CG2 4.39Å; P1007-V1026 HydrophobicContact CB-CG1 4.16Å; R1024-V1026 HydrophobicContact CG-CG1 4.3Å; V1026-R1044 HydrophobicContact CG2-CG 3.97Å; V1026-P1045 HydrophobicContact CG1-CB 4.15Å; V1026-T1047 HydrophobicContact CB-CG2 4.43Å; V1026-T1047 HydrophobicContact CG1-CG2 3.97Å; V1026-T1047 HydrophobicContact CG2-CG2 3.64Å |
| 1027 | T | 81.1 | Confident | 73.1 | Confident | 52 Ų | 52 | 71.3 Ų | 71.3 | 32% | 0.319 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.6 | -174.9 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | W1005 I1006 | W1005-T1027 WeakPolarHBondContact CA-O 3.04Å; I1006-T1027 PolarHBondContact N-O 3.11Å; I1006-T1027 PolarHBondContact O-N 3.19Å; I1006-T1027 PolarHBondContact O-OG1 2.05Å |
| 1028 | C | 81.4 | Confident | 73.4 | Confident | 9 Ų | 9 | 74.7 Ų | 74.7 | 6% | 0.061 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.8 | 171.5 | 173.5 | 0 | 0 | 0 | 0 | 108.2 | W1005 S1036 C1039 | W1005-C1028 HydrophobicContact CD2-CB 4.26Å; W1005-C1028 HydrophobicContact CE3-CB 3.83Å; W1005-C1028 HydrophobicContact CH2-CB 4.09Å; W1005-C1028 HydrophobicContact CZ3-CB 3.74Å; C1028-S1036 WeakPolarHBondContact CB-O 3.41Å; C1028-S1036 PolarHBondContact O-N 2.96Å; C1028-S1036 PolarHBondContact SG-O 3.45Å; C1028-C1039 VanDerWaalsContact CA-SG 3.51Å; C1028-C1039 HydrophobicContact CB-CB 3.7Å; C1028-C1039 WeakPolarHBondContact CB-SG 3.06Å; C1028-C1039 WeakPolarHBondContact SG-CB 3.43Å; C1028-C1039 PolarHBondContact SG-N 3.49Å; C1028-C1039 CovalentContact SG-SG 2.02Å; C1028-C1039 PolarHBondContact SG-SG 2.9Å |
| 1029 | L | 73.8 | Confident | 74 | Confident | 32 Ų | 32 | 74 Ų | 74 | 17% | 0.168 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 137.9 | -177 | -64.6 | 176.4 | 0 | 0 | 0 | 110.9 | P1003 R1004 I1006 Q1034 M1035 | P1003-L1029 CarbonylContact C-O 3.53Å; P1003-L1029 VanDerWaalsContact CA-O 3.24Å; P1003-L1029 WeakPolarHBondContact CA-O 2.99Å; P1003-L1029 WeakPolarHBondContact CB-O 3.41Å; R1004-L1029 PolarHBondContact N-O 2.81Å; R1004-L1029 PolarHBondContact O-N 2.95Å; I1006-L1029 HydrophobicContact CB-CD1 4.28Å; I1006-L1029 HydrophobicContact CD1-CB 4.42Å; I1006-L1029 HydrophobicContact CD1-CD1 4.05Å; I1006-L1029 HydrophobicContact CG1-CD1 4.35Å; L1029-Q1034 CarbonylContact C-O 3.46Å; L1029-Q1034 WeakPolarHBondContact CA-O 3.49Å; L1029-M1035 HydrophobicContact CD2-CG 4.16Å |
| 1030 | S | 71.1 | Confident | 74.3 | Confident | 28 Ų | 28 | 71.8 Ų | 71.8 | 20% | 0.196 | 39% | 0.385 | C | S | . | . | trans | -63.9 | 168.1 | 170.5 | 69.8 | 0 | 0 | 0 | 0 | 111.8 | T1032 G1033 Q1034 | S1030-T1032 PolarHBondContact O-N 2.02Å; S1030-T1032 VanDerWaalsContact O-N 3.11Å; S1030-T1032 PolarHBondContact OG-N 3.34Å; S1030-T1032 PolarHBondContact OG-OG1 3.21Å; S1030-G1033 PolarHBondContact O-N 3.19Å; S1030-G1033 PolarHBondContact OG-N 2.67Å; S1030-Q1034 PolarHBondContact N-O 3.13Å; S1030-Q1034 PolarHBondContact OG-N 3.42Å; S1030-Q1034 PolarHBondContact OG-O 3.24Å | ||
| 1031 | Y | 69.6 | Low | 74.3 | Confident | 116 Ų | 116 | 76.6 Ų | 76.6 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.5 | 170.3 | 82.5 | -87.5 | 0 | 0 | 0 | 113.3 | C958 C1000 | C958-Y1031 WeakPolarHBondContact SG-CE2 3.35Å; C1000-Y1031 HydrophobicContact CB-CD1 3.65Å; C1000-Y1031 HydrophobicContact CB-CE1 3.48Å; C1000-Y1031 VanDerWaalsContact CB-CE1 3.48Å; C1000-Y1031 HydrophobicContact CB-CE2 4.44Å; C1000-Y1031 HydrophobicContact CB-CG 4.23Å; C1000-Y1031 VanDerWaalsContact SG-CE1 3.55Å; C1000-Y1031 PolarHBondContact SG-OH 2.93Å |
| 1032 | T | 63.8 | Low | 74.1 | Confident | 73 Ų | 73 | 77 Ų | 77 | 45% | 0.448 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.7 | 173.5 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | S1030 Q1034 | S1030-T1032 PolarHBondContact O-N 2.02Å; S1030-T1032 VanDerWaalsContact O-N 3.11Å; S1030-T1032 PolarHBondContact OG-N 3.34Å; S1030-T1032 PolarHBondContact OG-OG1 3.21Å; T1032-Q1034 VanDerWaalsContact C-N 3.32Å; T1032-Q1034 PolarHBondContact OG1-OE1 2.03Å |
| 1033 | G | 61.6 | Low | 74 | Confident | 52 Ų | 52 | 81.3 Ų | 81.3 | 54% | 0.536 | 45% | 0.447 | S | S | . | . | S | Bend | trans | 76.2 | 15.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1030 | S1030-G1033 PolarHBondContact O-N 3.19Å; S1030-G1033 PolarHBondContact OG-N 2.67Å |
| 1034 | Q | 70.1 | Confident | 74.2 | Confident | 130 Ų | 130 | 81.9 Ų | 81.9 | 61% | 0.607 | 44% | 0.442 | S | S | * | . | trans | -94.4 | 150.7 | 177.7 | -64.3 | 172.9 | -60.6 | 0 | 0 | 110.7 | L1029 S1030 T1032 S1036 | L1029-Q1034 CarbonylContact C-O 3.46Å; L1029-Q1034 WeakPolarHBondContact CA-O 3.49Å; S1030-Q1034 PolarHBondContact N-O 3.13Å; S1030-Q1034 PolarHBondContact OG-N 3.42Å; S1030-Q1034 PolarHBondContact OG-O 3.24Å; T1032-Q1034 VanDerWaalsContact C-N 3.32Å; T1032-Q1034 PolarHBondContact OG1-OE1 2.03Å; Q1034-S1036 PolarHBondContact O-N 3.18Å | ||
| 1035 | M | 68.2 | Low | 74.4 | Confident | 165 Ų | 165 | 80.8 Ų | 80.8 | 81% | 0.813 | 44% | 0.442 | S | S | * | . | B | Isolated β-bridge | trans | -63.7 | 132.4 | 179.7 | -57.8 | -179.1 | 79.8 | 0 | 0 | 111 | L1029 | L1029-M1035 HydrophobicContact CD2-CG 4.16Å |
| 1036 | S | 72.1 | Confident | 74.2 | Confident | 23 Ų | 23 | 79.1 Ų | 79.1 | 16% | 0.161 | 44% | 0.438 | C | S | . | . | trans | -132.7 | 161 | 178.3 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | C1028 Q1034 E1038 | C1028-S1036 WeakPolarHBondContact CB-O 3.41Å; C1028-S1036 PolarHBondContact O-N 2.96Å; C1028-S1036 PolarHBondContact SG-O 3.45Å; Q1034-S1036 PolarHBondContact O-N 3.18Å; S1036-E1038 PolarHBondContact OG-N 3.36Å | ||
| 1037 | N | 72 | Confident | 74 | Confident | 165 Ų | 165 | 81.1 Ų | 81.1 | 88% | 0.882 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -112.2 | 4.2 | 177.1 | -62.8 | -11.7 | 0 | 0 | 0 | 112.4 | ||
| 1038 | E | 72 | Confident | 73.8 | Confident | 152 Ų | 152 | 82.6 Ų | 82.6 | 71% | 0.71 | 46% | 0.455 | S | S | * | . | trans | -96.6 | 6.7 | -168.6 | -54.5 | 172.2 | 148.4 | 0 | 0 | 113.9 | P1003 S1036 | P1003-E1038 HydrophobicContact CG-CB 3.77Å; S1036-E1038 PolarHBondContact OG-N 3.36Å | ||
| 1039 | C | 79 | Confident | 73.7 | Confident | 9 Ų | 9 | 86.1 Ų | 86.1 | 6% | 0.061 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -74.9 | 130.7 | 176.8 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | P1003 R1004 W1005 C1028 D1041 | P1003-C1039 VanDerWaalsContact C-SG 3.55Å; R1004-C1039 PolarHBondContact N-SG 2.7Å; W1005-C1039 HydrophobicContact CD2-CB 3.92Å; W1005-C1039 VanDerWaalsContact CE2-CB 3.48Å; W1005-C1039 HydrophobicContact CG-CB 4.07Å; W1005-C1039 HydrophobicContact CZ2-CB 3.95Å; C1028-C1039 VanDerWaalsContact CA-SG 3.51Å; C1028-C1039 HydrophobicContact CB-CB 3.7Å; C1028-C1039 WeakPolarHBondContact CB-SG 3.06Å; C1028-C1039 WeakPolarHBondContact SG-CB 3.43Å; C1028-C1039 PolarHBondContact SG-N 3.49Å; C1028-C1039 CovalentContact SG-SG 2.02Å; C1028-C1039 PolarHBondContact SG-SG 2.9Å; C1039-D1041 PolarHBondContact O-N 3.15Å |
| 1040 | P | 76.4 | Confident | 73.9 | Confident | 67 Ų | 67 | 90.9 Ų | 90.9 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | trans | -61.3 | 126.8 | 176.8 | -23.6 | 33.8 | 0 | 0 | 0 | 112.4 | W1005 S1042 L1043 | W1005-P1040 PolarHBondContact NE1-O 3.35Å; P1040-S1042 PolarHBondContact O-N 2.88Å; P1040-L1043 HydrophobicContact CG-CD1 4.46Å; P1040-L1043 PolarHBondContact O-N 2.99Å | ||
| 1041 | D | 73.2 | Confident | 74.1 | Confident | 109 Ų | 109 | 90.2 Ų | 90.2 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -61.4 | -26.1 | 177.2 | -88.3 | -57.8 | 0 | 0 | 0 | 112.7 | C1039 L1043 R1044 | C1039-D1041 PolarHBondContact O-N 3.15Å; D1041-L1043 PolarHBondContact O-N 2.84Å; D1041-L1043 VanDerWaalsContact O-N 3.16Å; D1041-R1044 WeakPolarHBondContact O-CB 3.32Å; D1041-R1044 PolarHBondContact O-N 2.9Å; D1041-R1044 VanDerWaalsContact OD1-CD 3.3Å; D1041-R1044 WeakPolarHBondContact OD1-CD 3.33Å; D1041-R1044 IonicContact OD1-NH1 3.75Å; D1041-R1044 PolarHBondContact OD1-NH1 3.35Å |
| 1042 | S | 74.3 | Confident | 74 | Confident | 113 Ų | 113 | 91.8 Ų | 91.8 | 79% | 0.79 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -63.4 | -16.2 | 174.1 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | P1040 | P1040-S1042 PolarHBondContact O-N 2.88Š|
| 1043 | L | 74.8 | Confident | 74 | Confident | 128 Ų | 128 | 89.5 Ų | 89.5 | 67% | 0.67 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -108.4 | 11 | 175.9 | -62.1 | 177 | 0 | 0 | 0 | 112.4 | P1040 D1041 P1045 | P1040-L1043 HydrophobicContact CG-CD1 4.46Å; P1040-L1043 PolarHBondContact O-N 2.99Å; D1041-L1043 PolarHBondContact O-N 2.84Å; D1041-L1043 VanDerWaalsContact O-N 3.16Å; L1043-P1045 WeakPolarHBondContact O-CD 3.47Å |
| 1044 | R | 81.6 | Confident | 73.8 | Confident | 125 Ų | 125 | 95.5 Ų | 95.5 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 120 | -177.8 | -170.9 | 170 | 179 | 173.8 | -1.8 | 110.7 | W1005 V1026 D1041 | W1005-R1044 HydrophobicContact CD2-CB 4.25Å; W1005-R1044 HydrophobicContact CD2-CG 3.98Å; W1005-R1044 HydrophobicContact CE3-CG 4.24Å; W1005-R1044 HydrophobicContact CG-CB 4.45Å; W1005-R1044 HydrophobicContact CH2-CG 4.27Å; W1005-R1044 HydrophobicContact CZ2-CB 4.2Å; W1005-R1044 HydrophobicContact CZ2-CG 3.98Å; W1005-R1044 HydrophobicContact CZ3-CG 4.38Å; V1026-R1044 HydrophobicContact CG2-CG 3.97Å; D1041-R1044 WeakPolarHBondContact O-CB 3.32Å; D1041-R1044 PolarHBondContact O-N 2.9Å; D1041-R1044 VanDerWaalsContact OD1-CD 3.3Å; D1041-R1044 WeakPolarHBondContact OD1-CD 3.33Å; D1041-R1044 IonicContact OD1-NH1 3.75Å; D1041-R1044 PolarHBondContact OD1-NH1 3.35Å |
| 1045 | P | 81.3 | Confident | 73 | Confident | 32 Ų | 32 | 93 Ų | 93 | 21% | 0.208 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 145.5 | 179.7 | -20.8 | 32 | 0 | 0 | 0 | 111.7 | W1005 P1007 V1026 L1043 T1047 | W1005-P1045 VanDerWaalsContact CB-CD 3.45Å; W1005-P1045 HydrophobicContact CB-CG 4.11Å; P1007-P1045 HydrophobicContact CB-CB 4.33Å; P1007-P1045 HydrophobicContact CB-CG 4.4Å; P1007-P1045 HydrophobicContact CG-CG 4.41Å; V1026-P1045 HydrophobicContact CG1-CB 4.15Å; L1043-P1045 WeakPolarHBondContact O-CD 3.47Å; P1045-T1047 PolarHBondContact O-N 3.04Å |
| 1046 | A | 75.4 | Confident | 71.9 | Confident | 64 Ų | 64 | 91.7 Ų | 91.7 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 132.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | W1010 R1024 | W1010-A1046 WeakPolarHBondContact CH2-O 3.38Å; R1024-A1046 VanDerWaalsContact CZ-O 3.31Å; R1024-A1046 PolarHBondContact NE-O 3.04Å; R1024-A1046 PolarHBondContact NH2-O 3.16Å |
| 1047 | T | 81.3 | Confident | 70.4 | Confident | 60 Ų | 60 | 95.5 Ų | 95.5 | 37% | 0.368 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -89.8 | -6.6 | -179.1 | 46.3 | 0 | 0 | 0 | 0 | 113.6 | W1010 M1023 R1024 V1026 P1045 | W1010-T1047 WeakPolarHBondContact CZ3-O 3.24Å; M1023-T1047 CarbonylContact C-O 3.57Å; M1023-T1047 VanDerWaalsContact CA-O 3.26Å; M1023-T1047 WeakPolarHBondContact CA-O 3Å; R1024-T1047 PolarHBondContact N-O 2.84Å; V1026-T1047 HydrophobicContact CB-CG2 4.43Å; V1026-T1047 HydrophobicContact CG1-CG2 3.97Å; V1026-T1047 HydrophobicContact CG2-CG2 3.64Å; P1045-T1047 PolarHBondContact O-N 3.04Å |
| 1048 | M | 76.5 | Confident | 68.7 | Low | 83 Ų | 83 | 95.4 Ų | 95.4 | 41% | 0.409 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 137.6 | -179.9 | -175.9 | 178.5 | -77.8 | 0 | 0 | 109.1 | Q1021 Q1022 M1023 | Q1021-M1048 HydrophobicContact CB-CG 4.49Å; Q1021-M1048 PolarHBondContact OE1-SD 2.98Å; Q1021-M1048 VanDerWaalsContact OE1-SD 3.39Å; Q1022-M1048 WeakPolarHBondContact O-CA 3.17Å; M1023-M1048 HydrophobicContact CE-CE 4.06Å; M1023-M1048 HydrophobicContact CG-CB 4.47Å; M1023-M1048 HydrophobicContact CG-CE 3.9Å; M1023-M1048 HydrophobicContact CG-CG 4.35Å; M1023-M1048 HydrophobicContact SD-CE 3.72Å |
| 1049 | Q | 79.4 | Confident | 67.8 | Low | 82 Ų | 82 | 92.8 Ų | 92.8 | 38% | 0.383 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 162.6 | 168.4 | 72.7 | 178 | 18.3 | 0 | 0 | 110.8 | W1010 Q1021 Q1022 | W1010-Q1049 HydrophobicContact CD2-CG 3.9Å; W1010-Q1049 HydrophobicContact CE3-CG 3.96Å; W1010-Q1049 HydrophobicContact CH2-CB 3.7Å; W1010-Q1049 HydrophobicContact CH2-CG 3.59Å; W1010-Q1049 HydrophobicContact CZ2-CB 3.91Å; W1010-Q1049 HydrophobicContact CZ2-CG 3.5Å; W1010-Q1049 VanDerWaalsContact CZ2-CG 3.5Å; W1010-Q1049 HydrophobicContact CZ3-CB 4.19Å; W1010-Q1049 HydrophobicContact CZ3-CG 3.82Å; Q1021-Q1049 WeakPolarHBondContact CA-O 3.23Å; Q1022-Q1049 HydrophobicContact CG-CG 3.59Å; Q1022-Q1049 WeakPolarHBondContact CG-O 3Å; Q1022-Q1049 PolarHBondContact N-O 2.91Å; Q1022-Q1049 PolarHBondContact O-N 3.47Å |
| 1050 | Q | 77.2 | Confident | 65.3 | Low | 132 Ų | 132 | 99.4 Ų | 99.4 | 62% | 0.617 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73 | 155.6 | 175.5 | -152.4 | 165.7 | -0.7 | 0 | 0 | 110.8 | G1020 Q1022 | G1020-Q1050 VanDerWaalsContact O-CG 3.31Å; G1020-Q1050 WeakPolarHBondContact O-CG 3.26Å; Q1022-Q1050 PolarHBondContact NE2-O 3Å |
| 1051 | C | 75.8 | Confident | 63.1 | Low | 15 Ų | 15 | 100.8 Ų | 100.8 | 10% | 0.101 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -144.8 | 161.5 | 176.1 | 48 | 0 | 0 | 0 | 0 | 110.2 | C1013 L1019 G1020 Q1021 Q1022 | C1013-C1051 WeakPolarHBondContact CA-SG 3.14Å; C1013-C1051 HydrophobicContact CB-CB 3.82Å; C1013-C1051 WeakPolarHBondContact CB-SG 3.02Å; C1013-C1051 WeakPolarHBondContact SG-CB 3.3Å; C1013-C1051 CovalentContact SG-SG 2.03Å; C1013-C1051 PolarHBondContact SG-SG 3.22Å; L1019-C1051 WeakPolarHBondContact CA-O 3.38Å; G1020-C1051 PolarHBondContact N-O 3.32Å; G1020-C1051 PolarHBondContact O-N 2.86Å; G1020-C1051 PolarHBondContact O-SG 3.07Å; Q1021-C1051 VanDerWaalsContact CA-SG 3.54Å; Q1021-C1051 PolarHBondContact N-SG 2.03Å; Q1021-C1051 VanDerWaalsContact N-SG 3.36Å; Q1022-C1051 HydrophobicContact CB-CB 4.37Å; Q1022-C1051 HydrophobicContact CG-CB 3.94Å |
| 1052 | E | 69 | Low | 60.9 | Low | 149 Ų | 149 | 102.8 Ų | 102.8 | 70% | 0.696 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -132.8 | 120.9 | 175.9 | -168.1 | 171.9 | -155.2 | 0 | 0 | 108.7 | G1018 L1019 | G1018-E1052 WeakPolarHBondContact O-CA 3.39Å; L1019-E1052 HydrophobicContact CD2-CB 4.02Å; L1019-E1052 HydrophobicContact CD2-CG 4.12Å |
| 1053 | S | 62 | Low | 58.8 | Low | 25 Ų | 25 | 103.1 Ų | 103.1 | 18% | 0.175 | 58% | 0.575 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.6 | 177.4 | 43.6 | 0 | 0 | 0 | 0 | 110.5 | A1015 Q1016 C1017 G1018 C1055 | A1015-S1053 WeakPolarHBondContact O-CB 3.08Å; A1015-S1053 PolarHBondContact O-OG 2.91Å; Q1016-S1053 VanDerWaalsContact C-OG 3.32Å; C1017-S1053 VanDerWaalsContact CA-OG 3.28Å; C1017-S1053 WeakPolarHBondContact CA-OG 3.39Å; C1017-S1053 PolarHBondContact N-OG 2.94Å; C1017-S1053 VanDerWaalsContact N-OG 3.13Å; G1018-S1053 PolarHBondContact N-O 3.45Å; G1018-S1053 PolarHBondContact N-OG 2.85Å; G1018-S1053 PolarHBondContact O-N 3.45Å; G1018-S1053 PolarHBondContact O-OG 2.96Å; S1053-C1055 PolarHBondContact O-SG 3.39Å |
| 1054 | K | 57.8 | Low | 56.8 | Low | 178 Ų | 178 | 104 Ų | 104 | 77% | 0.774 | 58% | 0.58 | S | S | * | * | trans | -75.2 | 142.7 | 174.1 | -66.6 | -171.3 | 176.7 | -173.8 | 0 | 110.4 | ||||
| 1055 | C | 52.8 | Low | 54.5 | Low | 77 Ų | 77 | 104.1 Ų | 104.1 | 52% | 0.52 | 60% | 0.595 | S | S | . | * | trans | -114.4 | 81.5 | -170.1 | -27.5 | 0 | 0 | 0 | 0 | 108.8 | C1017 S1053 | C1017-C1055 WeakPolarHBondContact CA-SG 3.48Å; C1017-C1055 HydrophobicContact CB-CB 3.91Å; C1017-C1055 WeakPolarHBondContact CB-SG 3.31Å; C1017-C1055 WeakPolarHBondContact SG-CB 3.4Å; C1017-C1055 CovalentContact SG-SG 2.03Å; C1017-C1055 PolarHBondContact SG-SG 2.97Å; S1053-C1055 PolarHBondContact O-SG 3.39Å | ||
| 1056 | D | 45.6 | Very low | 52.1 | Low | 138 Ų | 138 | 107.1 Ų | 107.1 | 74% | 0.738 | 62% | 0.617 | S | S | * | * | trans | -91.2 | 149.4 | -167.4 | -66.5 | -42.2 | 0 | 0 | 0 | 113.8 | ||||
| 1057 | A | 40.4 | Very low | 50.1 | Low | 103 Ų | 103 | 111.2 Ų | 111.2 | 85% | 0.851 | 63% | 0.625 | S | S | * | * | trans | -88.8 | 160.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1058 | I | 36.7 | Very low | 47.6 | Very low | 163 Ų | 163 | 119 Ų | 119 | 84% | 0.836 | 65% | 0.648 | S | S | * | * | trans | -97.9 | 175 | -169.7 | -6.9 | 179.2 | 0 | 0 | 0 | 111.9 | ||||
| 1059 | P | 53 | Low | 45.4 | Very low | 97 Ų | 97 | 118.3 Ų | 118.3 | 63% | 0.63 | 66% | 0.662 | S | S | * | * | -122 | 176.7 | -112.4 | 42.3 | -27.5 | 0 | 0 | 0 | 115 | |||||
| 1060 | N | 27.9 | Very low | 43.1 | Very low | 148 Ų | 148 | 123 Ų | 123 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | 174.9 | 158.1 | 124.2 | -95.3 | -33.5 | 0 | 0 | 0 | 116.9 | |||||
| 1061 | S | 28.7 | Very low | 40.8 | Very low | 95 Ų | 95 | 122.4 Ų | 122.4 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | trans | 58.7 | 108.3 | 143.7 | 64.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1062 | N | 28.4 | Very low | 38.7 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | 67.3 | 150.4 | 121.2 | -65.9 | 3.9 | 0 | 0 | 0 | 124.2 | |||||
| 1063 | S | 29.3 | Very low | 36.8 | Very low | 119 Ų | 119 | 125 Ų | 125 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | trans | 74.6 | 146 | 154.3 | 62.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1064 | D | 32.7 | Very low | 35.3 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | cis | -167.5 | 163.3 | -29.5 | -160.7 | 0.2 | 0 | 0 | 0 | 109.2 | ||||
| 1065 | V | 33.3 | Very low | 33.9 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 78% | 0.782 | 73% | 0.728 | S | S | * | * | trans | 57.7 | 156.7 | 168.1 | -109.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1066 | S | 30.2 | Very low | 32.8 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | cis | -152.4 | 150.5 | 1.8 | 65.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1067 | E | 35 | Very low | 32 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | trans | 73.3 | 142.1 | 139.6 | -88 | -155.9 | -172.5 | 0 | 0 | 124.6 | ||||
| 1068 | R | 27.8 | Very low | 31.3 | Very low | 225 Ų | 225 | 136 Ų | 136 | 85% | 0.849 | 73% | 0.732 | S | S | * | * | trans | 79.3 | 117.3 | 160.6 | -39.3 | -153.2 | 176.9 | 172.5 | 0.4 | 118.7 | ||||
| 1069 | G | 29.7 | Very low | 30.8 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | 139.9 | 144.2 | -15.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1070 | Q | 30.9 | Very low | 30.1 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | 64.6 | 152 | 172.8 | -62.7 | -176.2 | -93.4 | 0 | 0 | 115.1 | ||||
| 1071 | D | 30.2 | Very low | 30 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 63% | 0.631 | 73% | 0.734 | S | S | * | * | cis | -162.1 | 170.5 | -13.3 | -105.2 | -22.3 | 0 | 0 | 0 | 106.1 | ||||
| 1072 | L | 30.5 | Very low | 29.9 | Very low | 134 Ų | 134 | 135 Ų | 135 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | cis | -161.7 | 167.5 | 8.9 | -128.5 | 163.4 | 0 | 0 | 0 | 109.1 | ||||
| 1073 | S | 29.9 | Very low | 29.7 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | trans | 56.9 | 113.9 | 152.5 | 54 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1074 | Q | 30.3 | Very low | 29.6 | Very low | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | 81 | 151.9 | 70.7 | -79.9 | 177.6 | -21.5 | 0 | 0 | 115 | |||||
| 1075 | S | 28.9 | Very low | 29.5 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 52% | 0.524 | 74% | 0.739 | S | S | . | * | cis | 173.2 | 170.4 | -35.3 | 46.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1076 | Y | 29.6 | Very low | 29.3 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | trans | 69.6 | 151.6 | 168.4 | -65.6 | -74.6 | 0 | 0 | 0 | 117.1 | ||||
| 1077 | F | 28.4 | Very low | 29.1 | Very low | 172 Ų | 172 | 135 Ų | 135 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | cis | -161.2 | -167.2 | -29.9 | -137.8 | -140.5 | 0 | 0 | 0 | 111.2 | ||||
| 1078 | L | 27.1 | Very low | 28.9 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | trans | -43.4 | 152.8 | -179.1 | -88.6 | 64.8 | 0 | 0 | 0 | 119.5 | ||||
| 1079 | C | 24.9 | Very low | 29.1 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | 16.7 | 171.3 | 121 | -48.2 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1080 | P | 37.9 | Very low | 29 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | cis | -137 | -179.2 | -1.7 | 31.7 | -8.1 | 0 | 0 | 0 | 116.9 | ||||
| 1081 | S | 26.7 | Very low | 28.9 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | -3.9 | 132.5 | 151.3 | -50.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1082 | V | 25.4 | Very low | 28.8 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 87% | 0.873 | 76% | 0.756 | S | S | * | * | 61.4 | 115.2 | 129.2 | -177.2 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1083 | A | 25.3 | Very low | 28.9 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | -169.2 | 152 | 127.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1084 | A | 27.9 | Very low | 28.8 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | 40.6 | 105.2 | 150 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1085 | E | 28.8 | Very low | 28.6 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | 65.3 | 140.3 | 117.5 | -92.9 | 176.5 | -153.4 | 0 | 0 | 125.9 | |||||
| 1086 | F | 29.2 | Very low | 28.7 | Very low | 170 Ų | 170 | 144 Ų | 144 | 75% | 0.746 | 78% | 0.782 | S | S | * | * | trans | 62.1 | 115.5 | 161 | -72.2 | -70 | 0 | 0 | 0 | 123 | ||||
| 1087 | C | 26.1 | Very low | 28.7 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | 55.4 | 150.1 | 138.4 | -71.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1088 | S | 31.3 | Very low | 28.8 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | cis | -171.5 | 130.6 | -22.6 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1089 | V | 31.4 | Very low | 28.7 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | 69.5 | 145.3 | 156.9 | 179.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1090 | E | 29.3 | Very low | 28.9 | Very low | 169 Ų | 169 | 145 Ų | 145 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | 55.3 | 76.8 | 163.7 | -75.7 | 154.1 | -146.6 | 0 | 0 | 120.4 | ||||
| 1091 | F | 28 | Very low | 28.7 | Very low | 216 Ų | 216 | 142.6 Ų | 142.6 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | -142.4 | 104.9 | 118.3 | -128.6 | -85.5 | 0 | 0 | 0 | 110.8 | |||||
| 1092 | R | 27.4 | Very low | 29 | Very low | 232 Ų | 232 | 150.6 Ų | 150.6 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | trans | -130.3 | 61.8 | -166.8 | -166.3 | -159.2 | -171.2 | -177.5 | 5.3 | 112.8 | ||||
| 1093 | Q | 32.4 | Very low | 29.2 | Very low | 174 Ų | 174 | 150.9 Ų | 150.9 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | -172.7 | 152.4 | 155.6 | -107.6 | 153.5 | 28.4 | 0 | 0 | 113 | ||||
| 1094 | M | 28.4 | Very low | 29.4 | Very low | 158 Ų | 158 | 153.8 Ų | 153.8 | 78% | 0.778 | 82% | 0.819 | S | S | * | * | trans | 66.6 | 125.5 | 179.5 | -46 | -143.5 | -67.2 | 0 | 0 | 114.2 | C1096 | M1094-C1096 VanDerWaalsContact CG-SG 3.53Š| ||
| 1095 | C | 26.4 | Very low | 29.4 | Very low | 140 Ų | 140 | 157.3 Ų | 157.3 | 95% | 0.946 | 82% | 0.822 | S | S | * | * | S | Bend | cis | -58.2 | 149.5 | 8.2 | -64.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1096 | C | 30.9 | Very low | 29.5 | Very low | 99 Ų | 99 | 156.6 Ų | 156.6 | 67% | 0.669 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 157 | -164.6 | -73.2 | 0 | 0 | 0 | 0 | 114.9 | M1094 | M1094-C1096 VanDerWaalsContact CG-SG 3.53Š|
| 1097 | K | 29.6 | Very low | 29.5 | Very low | 196 Ų | 196 | 155.8 Ų | 155.8 | 85% | 0.852 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79 | 156 | 155 | -58.7 | 175.5 | 175.1 | -177.3 | 0 | 109.8 | ||
| 1098 | T | 30.4 | Very low | 29.7 | Very low | 136 Ų | 136 | 158.5 Ų | 158.5 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | -157.6 | 140.5 | 121.6 | 15 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1099 | C | 24.8 | Very low | 29.6 | Very low | 105 Ų | 105 | 163.1 Ų | 163.1 | 71% | 0.709 | 85% | 0.845 | S | S | * | * | trans | 32.3 | 117.3 | 159.9 | -56.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 1100 | Q | 30 | Very low | 29.5 | Very low | 196 Ų | 196 | 166.3 Ų | 166.3 | 92% | 0.916 | 85% | 0.854 | S | S | * | * | 70.4 | 123.4 | 65 | -71.4 | -173.6 | -71.5 | 0 | 0 | 115.2 | |||||
| 1101 | G | 34 | Very low | 29.5 | Very low | 69 Ų | 69 | 166.1 Ų | 166.1 | 71% | 0.711 | 86% | 0.859 | S | S | * | * | trans | 179.8 | 98.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1102 | H | 31.5 | Very low | 29.6 | Very low | 272 Ų | 272 | 161.5 Ų | 161.5 | 100% | 1.259 | 85% | 0.851 | S | S | * | * | trans | 69.3 | 0 | -173.8 | -64.2 | -75.7 | 0 | 0 | 0 | 117.1 |
Retrieved 1,102 of 1,102 residues in 442.2 ms
(Link to these results)