| 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 | T | 71.5 | Confident | 71.7 | Confident | 109 Ų | 109 | 86.2 Ų | 86.2 | 67% | 0.669 | 41% | 0.413 | S | S | * | . | 0 | 149.4 | 0 | 33.8 | 0 | 0 | 0 | 0 | 107.3 | T103 I104 K105 F138 | T1-T103 HydrophobicContact CG2-CG2 3.93Å; T1-I104 CarbonylContact C-O 3.57Å; T1-I104 WeakPolarHBondContact CA-O 3.31Å; T1-K105 HydrophobicContact CG2-CB 3.94Å; T1-K105 HydrophobicContact CG2-CD 4.42Å; T1-K105 HydrophobicContact CG2-CG 3.87Å; T1-F138 WeakPolarHBondContact O-CZ 3.18Å | |||
| 2 | C | 75.3 | Confident | 72.1 | Confident | 13 Ų | 13 | 82.3 Ų | 82.3 | 9% | 0.088 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.2 | -179.7 | -167.5 | 0 | 0 | 0 | 0 | 108.6 | T103 I104 L134 F138 | C2-T103 CarbonylContact O-C 3.56Å; C2-T103 WeakPolarHBondContact O-CA 3.48Å; C2-I104 PolarHBondContact N-O 3.22Å; C2-I104 PolarHBondContact O-N 2.91Å; C2-L134 WeakPolarHBondContact SG-CD2 3.3Å; C2-F138 HydrophobicContact CB-CB 4.09Å; C2-F138 HydrophobicContact CB-CD1 3.61Å; C2-F138 HydrophobicContact CB-CD2 4Å; C2-F138 HydrophobicContact CB-CE1 4.01Å; C2-F138 HydrophobicContact CB-CE2 4.38Å; C2-F138 HydrophobicContact CB-CG 3.6Å; C2-F138 HydrophobicContact CB-CZ 4.4Å |
| 3 | R | 76.5 | Confident | 72.6 | Confident | 140 Ų | 140 | 78.7 Ų | 78.7 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 118.2 | 177.2 | -179.8 | 179.5 | 177.2 | 164.2 | 4.8 | 108.4 | E99 L134 | R3-E99 IonicContact CZ-OE1 3.8Å; R3-E99 IonicContact NH1-OE1 3.68Å; R3-E99 PolarHBondContact NH1-OE1 3.33Å; R3-E99 IonicContact NH2-OE1 2.99Å; R3-L134 VanDerWaalsContact O-CD2 3.31Å; R3-L134 WeakPolarHBondContact O-CD2 3.47Å |
| 4 | L | 77.1 | Confident | 73.3 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | trans | -77.9 | 154 | 168.3 | -64.2 | -169.4 | 0 | 0 | 0 | 110.4 | P8 S102 I104 V118 N131 L134 | L4-P8 HydrophobicContact CD1-CB 3.98Å; L4-P8 HydrophobicContact CD1-CG 4Å; L4-S102 WeakPolarHBondContact CB-O 3.47Å; L4-S102 PolarHBondContact N-O 3.31Å; L4-S102 WeakPolarHBondContact O-CB 3.23Å; L4-I104 HydrophobicContact CD1-CD1 3.19Å; L4-I104 HydrophobicContact CD1-CG1 4.07Å; L4-I104 HydrophobicContact CD2-CD1 4.08Å; L4-I104 HydrophobicContact CG-CD1 3.55Å; L4-I104 HydrophobicContact CG-CG1 4.13Å; L4-V118 HydrophobicContact CD1-CG1 4.22Å; L4-N131 HydrophobicContact CD1-CB 4.03Å; L4-N131 HydrophobicContact CD2-CB 4.1Å; L4-L134 HydrophobicContact CD2-CD2 3.68Å | ||
| 5 | K | 70.3 | Confident | 73.9 | Confident | 166 Ų | 166 | 68.4 Ų | 68.4 | 72% | 0.722 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -75.5 | -32 | 178.6 | -169.6 | 171.9 | 179.9 | -177 | 0 | 111.6 | Y130 | K5-Y130 HydrophobicContact CB-CD1 4.35Å; K5-Y130 HydrophobicContact CB-CE1 4.03Å; K5-Y130 HydrophobicContact CD-CE1 4.21Å |
| 6 | T | 70.3 | Confident | 74.5 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 17% | 0.166 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -120.7 | 147.7 | 179.7 | 56.4 | 0 | 0 | 0 | 0 | 111.3 | P8 M123 E127 N131 | T6-P8 WeakPolarHBondContact O-CD 3.49Å; T6-M123 VanDerWaalsContact CB-CE 3.46Å; T6-M123 WeakPolarHBondContact OG1-CE 3.34Å; T6-E127 HydrophobicContact CG2-CG 4.22Å; T6-N131 PolarHBondContact OG1-ND2 2.87Å |
| 7 | L | 72.4 | Confident | 75 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 35% | 0.346 | 29% | 0.294 | S | S | . | . | trans | -69.4 | 106.7 | -171.3 | -75.1 | 157.3 | 0 | 0 | 0 | 112 | R9 K101 S102 H120 M123 | L7-R9 VanDerWaalsContact C-N 3.34Å; L7-R9 PolarHBondContact O-N 2.89Å; L7-K101 HydrophobicContact CD2-CB 3.22Å; L7-K101 HydrophobicContact CD2-CD 3.98Å; L7-K101 HydrophobicContact CD2-CG 4.26Å; L7-S102 VanDerWaalsContact CD2-OG 3.31Å; L7-S102 WeakPolarHBondContact CD2-OG 3.22Å; L7-H120 PolarHBondContact O-CE1 3.24Å; L7-H120 PolarHBondContact O-ND1 3.5Å; L7-M123 VanDerWaalsContact C-CE 3.49Å; L7-M123 WeakPolarHBondContact O-CE 3.47Å | ||
| 8 | P | 68 | Low | 75.3 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -76.3 | -22.5 | -172.4 | 32 | -36.6 | 0 | 0 | 0 | 113.1 | L4 T6 I104 | L4-P8 HydrophobicContact CD1-CB 3.98Å; L4-P8 HydrophobicContact CD1-CG 4Å; T6-P8 WeakPolarHBondContact O-CD 3.49Å; P8-I104 HydrophobicContact CG-CG1 4.47Å |
| 9 | R | 70.5 | Confident | 75.5 | Confident | 119 Ų | 119 | 56.2 Ų | 56.2 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | trans | -126.9 | 98.3 | -174.3 | -68.7 | -172.9 | -179.3 | -147.5 | -2.8 | 111.4 | L7 K11 F12 A117 | L7-R9 VanDerWaalsContact C-N 3.34Å; L7-R9 PolarHBondContact O-N 2.89Å; R9-K11 VanDerWaalsContact C-N 3.28Å; R9-K11 PolarHBondContact O-N 3.24Å; R9-F12 HydrophobicContact CB-CB 3.94Å; R9-F12 HydrophobicContact CB-CD2 4.35Å; R9-F12 WeakPolarHBondContact O-CB 3.42Å; R9-F12 PolarHBondContact O-N 3.12Å; R9-A117 HydrophobicContact CG-CB 4.08Å | ||
| 10 | P | 67.1 | Low | 75.6 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 67% | 0.669 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -24 | -178.1 | 24.6 | -33.1 | 0 | 0 | 0 | 113.9 | ||
| 11 | K | 69.8 | Low | 75.7 | Confident | 198 Ų | 198 | 63.9 Ų | 63.9 | 86% | 0.861 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 10.7 | 178 | -65.6 | -174.6 | 179.3 | -179 | 0 | 114 | R9 S13 | R9-K11 VanDerWaalsContact C-N 3.28Å; R9-K11 PolarHBondContact O-N 3.24Å; K11-S13 PolarHBondContact O-N 3.43Å |
| 12 | F | 76.4 | Confident | 76 | Confident | 39 Ų | 39 | 58.7 Ų | 58.7 | 17% | 0.171 | 28% | 0.277 | C | S | . | . | trans | -70.9 | 115 | -175.9 | -163.6 | -92.4 | 0 | 0 | 0 | 110.5 | R9 V14 D57 A58 V100 K101 | R9-F12 HydrophobicContact CB-CB 3.94Å; R9-F12 HydrophobicContact CB-CD2 4.35Å; R9-F12 WeakPolarHBondContact O-CB 3.42Å; R9-F12 PolarHBondContact O-N 3.12Å; F12-V14 HydrophobicContact CD1-CG2 3.79Å; F12-V14 HydrophobicContact CE1-CG2 3.91Å; F12-D57 HydrophobicContact CD1-CB 4.27Å; F12-D57 HydrophobicContact CD2-CB 3.64Å; F12-D57 HydrophobicContact CE1-CB 3.99Å; F12-D57 HydrophobicContact CE2-CB 3.33Å; F12-D57 HydrophobicContact CG-CB 4.12Å; F12-D57 HydrophobicContact CZ-CB 3.53Å; F12-A58 HydrophobicContact CE1-CB 3.52Å; F12-A58 HydrophobicContact CZ-CB 3.78Å; F12-V100 HydrophobicContact CE1-CG1 4.05Å; F12-K101 HydrophobicContact CB-CG 4.31Å; F12-K101 HydrophobicContact CD1-CB 4.42Å; F12-K101 HydrophobicContact CD1-CG 3.86Å; F12-K101 HydrophobicContact CG-CG 4.48Å | ||
| 13 | S | 78.8 | Confident | 76 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 25% | 0.252 | 27% | 0.274 | S | S | . | . | trans | -98.2 | 125.3 | -177.2 | 59.3 | 0 | 0 | 0 | 0 | 110.8 | K11 K55 Y56 D57 A58 | K11-S13 PolarHBondContact O-N 3.43Å; S13-K55 PolarHBondContact OG-O 3.38Å; S13-Y56 WeakPolarHBondContact OG-CA 3.11Å; S13-D57 PolarHBondContact O-N 3.08Å; S13-A58 PolarHBondContact O-N 3.3Å | ||
| 14 | V | 82.4 | Confident | 76.2 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.2 | 178.6 | -174.5 | 0 | 0 | 0 | 0 | 108.1 | F12 P32 A58 L60 V97 V100 K101 | F12-V14 HydrophobicContact CD1-CG2 3.79Å; F12-V14 HydrophobicContact CE1-CG2 3.91Å; V14-P32 WeakPolarHBondContact O-CD 3.03Å; V14-P32 WeakPolarHBondContact O-CG 3.2Å; V14-A58 WeakPolarHBondContact CA-O 3.3Å; V14-A58 HydrophobicContact CG1-CB 4.49Å; V14-A58 HydrophobicContact CG2-CB 4.36Å; V14-L60 HydrophobicContact CG1-CD1 3.89Å; V14-L60 HydrophobicContact CG1-CG 3.83Å; V14-V97 HydrophobicContact CB-CG1 4.36Å; V14-V97 HydrophobicContact CG1-CG2 4.32Å; V14-V97 HydrophobicContact CG2-CG1 4.2Å; V14-V100 HydrophobicContact CG2-CG1 4.31Å; V14-K101 HydrophobicContact CG2-CG 4.12Å |
| 15 | C | 83.1 | Confident | 76.2 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.007 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.6 | 175.6 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | P32 Y56 A58 F59 L60 | C15-P32 CarbonylContact C-O 3.48Å; C15-P32 VanDerWaalsContact CA-O 3.29Å; C15-P32 WeakPolarHBondContact CA-O 3.47Å; C15-P32 HydrophobicContact CB-CG 4.47Å; C15-P32 PolarHBondContact SG-O 3.27Å; C15-P32 VanDerWaalsContact SG-O 3.39Å; C15-Y56 HydrophobicContact CB-CD1 4.02Å; C15-Y56 HydrophobicContact CB-CD2 3.65Å; C15-Y56 HydrophobicContact CB-CE1 4.4Å; C15-Y56 HydrophobicContact CB-CE2 4.03Å; C15-Y56 HydrophobicContact CB-CG 3.63Å; C15-A58 PolarHBondContact N-O 2.98Å; C15-F59 HydrophobicContact CB-CD1 3.67Å; C15-F59 HydrophobicContact CB-CE1 3.68Å; C15-F59 CarbonylContact O-C 3.57Å; C15-F59 VanDerWaalsContact O-CA 3.27Å; C15-F59 WeakPolarHBondContact O-CA 3.42Å; C15-L60 PolarHBondContact O-N 3.03Å |
| 16 | V | 83.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.8 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | H22 A26 P32 H33 M34 L87 L93 | V16-H22 HydrophobicContact CG1-CB 4.43Å; V16-A26 HydrophobicContact CB-CB 4.12Å; V16-A26 HydrophobicContact CG1-CB 4.41Å; V16-A26 HydrophobicContact CG2-CB 4.09Å; V16-P32 PolarHBondContact N-O 3.38Å; V16-H33 CarbonylContact O-C 3.59Å; V16-H33 VanDerWaalsContact O-CA 3.3Å; V16-H33 WeakPolarHBondContact O-CA 3.5Å; V16-M34 PolarHBondContact O-N 3.36Å; V16-L87 HydrophobicContact CG1-CD2 4.41Å; V16-L93 HydrophobicContact CG1-CD1 4.13Å; V16-L93 HydrophobicContact CG2-CD1 4.13Å; V16-L93 HydrophobicContact CG2-CD2 4.19Å; V16-L93 HydrophobicContact CG2-CG 4.46Å |
| 17 | L | 81.9 | Confident | 77.1 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 98.1 | 175.9 | -57.8 | -179.6 | 0 | 0 | 0 | 106.8 | M34 L39 F59 L60 A61 S62 I69 L73 P84 | L17-M34 HydrophobicContact CD2-CB 3.73Å; L17-M34 HydrophobicContact CD2-CG 4.13Å; L17-M34 HydrophobicContact CD2-SD 4.3Å; L17-L39 HydrophobicContact CB-CD1 4.37Å; L17-L39 HydrophobicContact CD2-CD1 4.41Å; L17-L39 HydrophobicContact CD2-CD2 3.99Å; L17-F59 HydrophobicContact CD1-CB 4.39Å; L17-F59 HydrophobicContact CD1-CD1 4.16Å; L17-F59 HydrophobicContact CG-CD1 4.35Å; L17-L60 WeakPolarHBondContact CB-O 3.47Å; L17-L60 PolarHBondContact N-O 3.14Å; L17-A61 HydrophobicContact CB-CB 4.42Å; L17-A61 VanDerWaalsContact O-CA 3.25Å; L17-A61 WeakPolarHBondContact O-CA 3.45Å; L17-S62 PolarHBondContact O-N 3.16Å; L17-I69 HydrophobicContact CD1-CD1 4.31Å; L17-L73 HydrophobicContact CD1-CD1 4.3Å; L17-P84 HydrophobicContact CD1-CG 4.29Å |
| 18 | G | 81.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -136.7 | 167.3 | -163.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | M34 L65 | G18-M34 PolarHBondContact N-O 3.09Å; G18-L65 VanDerWaalsContact C-CD1 3.42Å | ||
| 19 | D | 78.1 | Confident | 77.7 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 21% | 0.214 | 31% | 0.307 | C | S | . | . | trans | -73.7 | 175.4 | 159.9 | -54.5 | -56.7 | 0 | 0 | 0 | 109.7 | Q21 H22 C23 S62 S64 | D19-Q21 VanDerWaalsContact C-N 3.28Å; D19-Q21 PolarHBondContact O-N 3Å; D19-H22 PolarHBondContact O-N 3.19Å; D19-C23 PolarHBondContact O-N 3.29Å; D19-S62 PolarHBondContact OD2-OG 2.97Å; D19-S62 VanDerWaalsContact OD2-OG 3.06Å; D19-S64 VanDerWaalsContact CG-OG 3.25Å; D19-S64 PolarHBondContact OD1-OG 3.29Å; D19-S64 WeakPolarHBondContact OD2-CB 3.49Å; D19-S64 PolarHBondContact OD2-OG 2.92Å | ||
| 20 | Q | 77.6 | Confident | 78 | Confident | 146 Ų | 146 | 61.4 Ų | 61.4 | 68% | 0.682 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -54.2 | -41.1 | -173.8 | -161.7 | 154.7 | 3.1 | 0 | 0 | 113.5 | H22 C23 D24 | Q20-H22 PolarHBondContact O-N 2.8Å; Q20-C23 WeakPolarHBondContact O-CB 3.46Å; Q20-C23 PolarHBondContact O-N 2.84Å; Q20-C23 VanDerWaalsContact O-N 3.17Å; Q20-D24 VanDerWaalsContact O-CG 3.27Å; Q20-D24 PolarHBondContact O-N 3.23Å |
| 21 | Q | 77.9 | Confident | 78.5 | Confident | 128 Ų | 128 | 57.8 Ų | 57.8 | 60% | 0.598 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -58.3 | -46.6 | 175.6 | -70.8 | -177.9 | -18.2 | 0 | 0 | 112.8 | D19 C23 D24 E25 | D19-Q21 VanDerWaalsContact C-N 3.28Å; D19-Q21 PolarHBondContact O-N 3Å; Q21-C23 VanDerWaalsContact C-N 3.32Å; Q21-C23 PolarHBondContact O-N 3.46Å; Q21-D24 PolarHBondContact O-N 2.93Å; Q21-E25 WeakPolarHBondContact O-CG 3.39Å; Q21-E25 PolarHBondContact O-N 2.99Å |
| 22 | H | 77 | Confident | 79 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.1 | -26.1 | 178.3 | -73.6 | -47.1 | 0 | 0 | 0 | 113 | V16 D19 Q20 E25 A26 H89 | V16-H22 HydrophobicContact CG1-CB 4.43Å; D19-H22 PolarHBondContact O-N 3.19Å; Q20-H22 PolarHBondContact O-N 2.8Å; H22-E25 IonicContact CE1-OE2 3.92Å; H22-E25 IonicContact ND1-OE2 3.81Å; H22-E25 PolarHBondContact ND1-OE2 3.29Å; H22-A26 WeakPolarHBondContact O-CB 3.36Å; H22-A26 PolarHBondContact O-N 2.88Å; H22-H89 AromaticContact CD2-CE1 3.55Å; H22-H89 AromaticContact CD2-ND1 3.58Å; H22-H89 AromaticContact CE1-ND1 3.43Å; H22-H89 PolarHBondContact CE1-ND1 3.43Å; H22-H89 AromaticContact NE2-CE1 3.22Å; H22-H89 PolarHBondContact NE2-CE1 3.46Å; H22-H89 AromaticContact NE2-CG 3.88Å; H22-H89 AromaticContact NE2-ND1 2.9Å; H22-H89 PolarHBondContact NE2-ND1 2.69Å |
| 23 | C | 76.1 | Confident | 79 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.034 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.9 | -39.8 | 170.7 | -74.3 | 0 | 0 | 0 | 0 | 111.3 | D19 Q20 Q21 A26 K27 D35 | D19-C23 PolarHBondContact O-N 3.29Å; Q20-C23 WeakPolarHBondContact O-CB 3.46Å; Q20-C23 PolarHBondContact O-N 2.84Å; Q20-C23 VanDerWaalsContact O-N 3.17Å; Q21-C23 VanDerWaalsContact C-N 3.32Å; Q21-C23 PolarHBondContact O-N 3.46Å; C23-A26 PolarHBondContact O-N 3.05Å; C23-K27 WeakPolarHBondContact O-CB 3.48Å; C23-K27 PolarHBondContact O-N 3.49Å; C23-D35 PolarHBondContact SG-OD1 2.92Å |
| 24 | D | 80.1 | Confident | 79.1 | Confident | 94 Ų | 94 | 51.7 Ų | 51.7 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.4 | -44 | 176.4 | -66.8 | -32.5 | 0 | 0 | 0 | 111.5 | Q20 Q21 K27 A28 | Q20-D24 VanDerWaalsContact O-CG 3.27Å; Q20-D24 PolarHBondContact O-N 3.23Å; Q21-D24 PolarHBondContact O-N 2.93Å; D24-K27 PolarHBondContact O-N 3.17Å; D24-A28 WeakPolarHBondContact O-CB 3.33Å; D24-A28 PolarHBondContact O-N 3.18Å |
| 25 | E | 78.1 | Confident | 78.9 | Confident | 83 Ų | 83 | 54.8 Ų | 54.8 | 39% | 0.388 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 173 | -72.2 | 172.1 | 173.7 | 0 | 0 | 112.3 | Q21 H22 K27 A28 A29 L93 | Q21-E25 WeakPolarHBondContact O-CG 3.39Å; Q21-E25 PolarHBondContact O-N 2.99Å; H22-E25 IonicContact CE1-OE2 3.92Å; H22-E25 IonicContact ND1-OE2 3.81Å; H22-E25 PolarHBondContact ND1-OE2 3.29Å; E25-K27 VanDerWaalsContact C-N 3.3Å; E25-K27 PolarHBondContact O-N 2.96Å; E25-A28 PolarHBondContact O-N 2.99Å; E25-A29 WeakPolarHBondContact O-CB 3.29Å; E25-A29 PolarHBondContact O-N 3.39Å; E25-L93 HydrophobicContact CB-CD1 4.13Å |
| 26 | A | 78.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V16 H22 C23 A29 D30 L31 H33 L93 | V16-A26 HydrophobicContact CB-CB 4.12Å; V16-A26 HydrophobicContact CG1-CB 4.41Å; V16-A26 HydrophobicContact CG2-CB 4.09Å; H22-A26 WeakPolarHBondContact O-CB 3.36Å; H22-A26 PolarHBondContact O-N 2.88Å; C23-A26 PolarHBondContact O-N 3.05Å; A26-A29 CarbonylContact O-C 3.55Å; A26-A29 PolarHBondContact O-N 2.89Å; A26-D30 PolarHBondContact O-N 3.18Å; A26-D30 VanDerWaalsContact O-N 3.14Å; A26-L31 HydrophobicContact CB-CB 4.26Å; A26-L31 PolarHBondContact O-N 3.35Å; A26-H33 HydrophobicContact CB-CB 3.81Å; A26-L93 HydrophobicContact CB-CD1 4.21Å |
| 27 | K | 80.1 | Confident | 78 | Confident | 138 Ų | 138 | 64 Ų | 64 | 60% | 0.6 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69.2 | -38.4 | 175.6 | -169.1 | 173.5 | -178.1 | -177.6 | 0 | 111.6 | C23 D24 E25 A29 D30 | C23-K27 WeakPolarHBondContact O-CB 3.48Å; C23-K27 PolarHBondContact O-N 3.49Å; D24-K27 PolarHBondContact O-N 3.17Å; E25-K27 VanDerWaalsContact C-N 3.3Å; E25-K27 PolarHBondContact O-N 2.96Å; K27-A29 PolarHBondContact O-N 3.43Å; K27-D30 PolarHBondContact O-N 3Å |
| 28 | A | 79 | Confident | 77.7 | Confident | 88 Ų | 88 | 65.5 Ų | 65.5 | 73% | 0.727 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.1 | -29.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D24 E25 | D24-A28 WeakPolarHBondContact O-CB 3.33Å; D24-A28 PolarHBondContact O-N 3.18Å; E25-A28 PolarHBondContact O-N 2.99Å |
| 29 | A | 74.9 | Confident | 77.2 | Confident | 32 Ų | 32 | 65.7 Ų | 65.7 | 26% | 0.264 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 6.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E25 A26 K27 L31 | E25-A29 WeakPolarHBondContact O-CB 3.29Å; E25-A29 PolarHBondContact O-N 3.39Å; A26-A29 CarbonylContact O-C 3.55Å; A26-A29 PolarHBondContact O-N 2.89Å; K27-A29 PolarHBondContact O-N 3.43Å; A29-L31 HydrophobicContact CB-CD1 3.89Å; A29-L31 HydrophobicContact CB-CG 4.1Å; A29-L31 PolarHBondContact O-N 3.21Å; A29-L31 VanDerWaalsContact O-N 3.16Å |
| 30 | D | 76.1 | Confident | 77 | Confident | 155 Ų | 155 | 70 Ų | 70 | 83% | 0.829 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 30.6 | -174.5 | -74.2 | -59.1 | 0 | 0 | 0 | 114.2 | A26 K27 | A26-D30 PolarHBondContact O-N 3.18Å; A26-D30 VanDerWaalsContact O-N 3.14Å; K27-D30 PolarHBondContact O-N 3Å |
| 31 | L | 77.8 | Confident | 76.9 | Confident | 27 Ų | 27 | 71 Ų | 71 | 14% | 0.141 | 37% | 0.368 | C | S | . | . | trans | -93.4 | 141.9 | 178.9 | -70.2 | 169.4 | 0 | 0 | 0 | 111.6 | A26 A29 H33 L93 V97 | A26-L31 HydrophobicContact CB-CB 4.26Å; A26-L31 PolarHBondContact O-N 3.35Å; A29-L31 HydrophobicContact CB-CD1 3.89Å; A29-L31 HydrophobicContact CB-CG 4.1Å; A29-L31 PolarHBondContact O-N 3.21Å; A29-L31 VanDerWaalsContact O-N 3.16Å; L31-H33 PolarHBondContact O-N 2.94Å; L31-H33 VanDerWaalsContact O-N 3.12Å; L31-H33 PolarHBondContact O-ND1 2.87Å; L31-L93 HydrophobicContact CD1-CD2 3.26Å; L31-V97 HydrophobicContact CD1-CG1 4.47Å; L31-V97 HydrophobicContact CD1-CG2 3.75Å | ||
| 32 | P | 80.2 | Confident | 76.5 | Confident | 41 Ų | 41 | 66 Ų | 66 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | trans | -65.4 | 117 | 176.9 | 24.3 | -29.1 | 0 | 0 | 0 | 109.7 | V14 C15 V16 Y56 | V14-P32 WeakPolarHBondContact O-CD 3.03Å; V14-P32 WeakPolarHBondContact O-CG 3.2Å; C15-P32 CarbonylContact C-O 3.48Å; C15-P32 VanDerWaalsContact CA-O 3.29Å; C15-P32 WeakPolarHBondContact CA-O 3.47Å; C15-P32 HydrophobicContact CB-CG 4.47Å; C15-P32 PolarHBondContact SG-O 3.27Å; C15-P32 VanDerWaalsContact SG-O 3.39Å; V16-P32 PolarHBondContact N-O 3.38Å; P32-Y56 HydrophobicContact CB-CE1 3.72Å; P32-Y56 WeakPolarHBondContact CB-OH 3.44Å; P32-Y56 HydrophobicContact CG-CD1 4.17Å; P32-Y56 HydrophobicContact CG-CE1 3.55Å | ||
| 33 | H | 77.4 | Confident | 76 | Confident | 71 Ų | 71 | 68.9 Ų | 68.9 | 33% | 0.329 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 156 | -179.6 | 55.7 | -81.9 | 0 | 0 | 0 | 111.3 | V16 A26 L31 | V16-H33 CarbonylContact O-C 3.59Å; V16-H33 VanDerWaalsContact O-CA 3.3Å; V16-H33 WeakPolarHBondContact O-CA 3.5Å; A26-H33 HydrophobicContact CB-CB 3.81Å; L31-H33 PolarHBondContact O-N 2.94Å; L31-H33 VanDerWaalsContact O-N 3.12Å; L31-H33 PolarHBondContact O-ND1 2.87Å |
| 34 | M | 79.1 | Confident | 75.6 | Confident | 33 Ų | 33 | 77.5 Ų | 77.5 | 16% | 0.163 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 129.2 | 170.2 | -58.8 | -165.9 | 68.2 | 0 | 0 | 111.3 | V16 L17 G18 A38 L42 L52 | V16-M34 PolarHBondContact O-N 3.36Å; L17-M34 HydrophobicContact CD2-CB 3.73Å; L17-M34 HydrophobicContact CD2-CG 4.13Å; L17-M34 HydrophobicContact CD2-SD 4.3Å; G18-M34 PolarHBondContact N-O 3.09Å; M34-A38 HydrophobicContact CE-CB 3.66Å; M34-L42 HydrophobicContact CE-CD1 3.39Å; M34-L42 HydrophobicContact SD-CD1 4.19Å; M34-L52 HydrophobicContact CE-CD1 4.2Å; M34-L52 HydrophobicContact SD-CD1 3.58Å; M34-L52 VanDerWaalsContact SD-CD1 3.58Å |
| 35 | D | 78.3 | Confident | 75.3 | Confident | 66 Ų | 66 | 77.2 Ų | 77.2 | 35% | 0.353 | 40% | 0.396 | S | S | . | . | trans | -78.7 | 165.2 | 173.4 | -88.1 | -39 | 0 | 0 | 0 | 113.6 | C23 E37 A38 L39 | C23-D35 PolarHBondContact SG-OD1 2.92Å; D35-E37 PolarHBondContact O-N 2.75Å; D35-A38 WeakPolarHBondContact O-CB 3.43Å; D35-A38 PolarHBondContact O-N 2.89Å; D35-A38 VanDerWaalsContact O-N 3.08Å; D35-L39 WeakPolarHBondContact O-CG 3.37Å; D35-L39 PolarHBondContact O-N 3.01Å | ||
| 36 | I | 72.9 | Confident | 75.1 | Confident | 50 Ų | 50 | 81.4 Ų | 81.4 | 26% | 0.256 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -53.1 | -38.9 | 175.2 | -52.8 | -177 | 0 | 0 | 0 | 112 | L39 K40 L65 | I36-L39 PolarHBondContact O-N 3.25Å; I36-K40 HydrophobicContact CG2-CD 4.46Å; I36-K40 WeakPolarHBondContact O-CB 3.48Å; I36-K40 WeakPolarHBondContact O-CG 3.45Å; I36-K40 PolarHBondContact O-N 2.9Å; I36-L65 HydrophobicContact CD1-CD2 3.79Å; I36-L65 HydrophobicContact CG1-CD1 4.1Å; I36-L65 HydrophobicContact CG1-CD2 3.66Å; I36-L65 HydrophobicContact CG1-CG 4.45Å |
| 37 | E | 74.9 | Confident | 75.3 | Confident | 145 Ų | 145 | 90.3 Ų | 90.3 | 68% | 0.678 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -68.7 | -39.8 | 178.9 | -63.4 | -166.4 | 163.8 | 0 | 0 | 112.5 | D35 L39 K40 K41 | D35-E37 PolarHBondContact O-N 2.75Å; E37-L39 VanDerWaalsContact C-N 3.32Å; E37-K40 PolarHBondContact O-N 3.42Å; E37-K41 WeakPolarHBondContact O-CG 3.25Å; E37-K41 PolarHBondContact O-N 3.28Å |
| 38 | A | 75.7 | Confident | 75.2 | Confident | 34 Ų | 34 | 87.6 Ų | 87.6 | 28% | 0.281 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | M34 D35 K41 L42 | M34-A38 HydrophobicContact CE-CB 3.66Å; D35-A38 WeakPolarHBondContact O-CB 3.43Å; D35-A38 PolarHBondContact O-N 2.89Å; D35-A38 VanDerWaalsContact O-N 3.08Å; A38-K41 PolarHBondContact O-N 3.32Å; A38-L42 WeakPolarHBondContact O-CG 3.36Å; A38-L42 PolarHBondContact O-N 3.43Å |
| 39 | L | 72.3 | Confident | 75.2 | Confident | 4 Ų | 4 | 83.8 Ų | 83.8 | 2% | 0.021 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 172.9 | -72.9 | 172.5 | 0 | 0 | 0 | 112.3 | L17 D35 I36 E37 L42 N43 I72 L73 | L17-L39 HydrophobicContact CB-CD1 4.37Å; L17-L39 HydrophobicContact CD2-CD1 4.41Å; L17-L39 HydrophobicContact CD2-CD2 3.99Å; D35-L39 WeakPolarHBondContact O-CG 3.37Å; D35-L39 PolarHBondContact O-N 3.01Å; I36-L39 PolarHBondContact O-N 3.25Å; E37-L39 VanDerWaalsContact C-N 3.32Å; L39-L42 WeakPolarHBondContact O-CB 3.43Å; L39-L42 PolarHBondContact O-N 3.18Å; L39-N43 PolarHBondContact O-N 3.26Å; L39-I72 HydrophobicContact CB-CG2 4.31Å; L39-I72 WeakPolarHBondContact O-CG2 3.45Å; L39-L73 HydrophobicContact CD2-CD1 3.76Å; L39-L73 HydrophobicContact CD2-CD2 4.08Å; L39-L73 HydrophobicContact CD2-CG 4.21Å |
| 40 | K | 73.3 | Confident | 75.4 | Confident | 129 Ų | 129 | 88.9 Ų | 88.9 | 56% | 0.561 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.1 | -37.3 | 173.7 | -77.2 | 177.5 | -178.4 | 175.1 | 0 | 112.4 | I36 E37 L42 N43 | I36-K40 HydrophobicContact CG2-CD 4.46Å; I36-K40 WeakPolarHBondContact O-CB 3.48Å; I36-K40 WeakPolarHBondContact O-CG 3.45Å; I36-K40 PolarHBondContact O-N 2.9Å; E37-K40 PolarHBondContact O-N 3.42Å; K40-L42 PolarHBondContact O-N 3.24Å; K40-N43 WeakPolarHBondContact O-CB 3.45Å; K40-N43 PolarHBondContact O-N 3.22Å; K40-N43 VanDerWaalsContact O-N 3.09Å |
| 41 | K | 75.2 | Confident | 75.8 | Confident | 169 Ų | 169 | 89 Ų | 89 | 74% | 0.735 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.7 | -26.4 | 172.9 | -73.5 | 175.6 | -177.5 | 172.7 | 0 | 112.9 | E37 A38 N43 | E37-K41 WeakPolarHBondContact O-CG 3.25Å; E37-K41 PolarHBondContact O-N 3.28Å; A38-K41 PolarHBondContact O-N 3.32Å; K41-N43 VanDerWaalsContact C-N 3.31Å |
| 42 | L | 69.3 | Low | 75.9 | Confident | 21 Ų | 21 | 88.9 Ų | 88.9 | 11% | 0.11 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -6.5 | 175.1 | -70.8 | 167 | 0 | 0 | 0 | 113.7 | M34 A38 L39 K40 K44 N45 L48 L52 | M34-L42 HydrophobicContact CE-CD1 3.39Å; M34-L42 HydrophobicContact SD-CD1 4.19Å; A38-L42 WeakPolarHBondContact O-CG 3.36Å; A38-L42 PolarHBondContact O-N 3.43Å; L39-L42 WeakPolarHBondContact O-CB 3.43Å; L39-L42 PolarHBondContact O-N 3.18Å; K40-L42 PolarHBondContact O-N 3.24Å; L42-K44 PolarHBondContact O-N 3.45Å; L42-N45 PolarHBondContact O-N 3.1Å; L42-L48 HydrophobicContact CD2-CB 3.64Å; L42-L48 HydrophobicContact CD2-CD1 4.18Å; L42-L52 HydrophobicContact CD1-CD1 3.54Å |
| 43 | N | 66.2 | Low | 75.7 | Confident | 62 Ų | 62 | 87.2 Ų | 87.2 | 33% | 0.332 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 135.6 | -179.3 | -162 | -7 | 0 | 0 | 0 | 110.3 | L39 K40 K41 N45 I72 | L39-N43 PolarHBondContact O-N 3.26Å; K40-N43 WeakPolarHBondContact O-CB 3.45Å; K40-N43 PolarHBondContact O-N 3.22Å; K40-N43 VanDerWaalsContact O-N 3.09Å; K41-N43 VanDerWaalsContact C-N 3.31Å; N43-N45 PolarHBondContact O-N 2.54Å; N43-I72 HydrophobicContact CB-CG2 4.26Å; N43-I72 PolarHBondContact OD1-O 2.92Å |
| 44 | K | 67.7 | Low | 76 | Confident | 186 Ų | 186 | 92.3 Ų | 92.3 | 81% | 0.809 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | -12 | -179.5 | -53.7 | 180 | 179.4 | 179 | 0 | 117 | L42 K46 | L42-K44 PolarHBondContact O-N 3.45Å; K44-K46 PolarHBondContact O-N 3.06Å; K44-K46 VanDerWaalsContact O-N 3.15Å |
| 45 | N | 75.2 | Confident | 76.2 | Confident | 88 Ų | 88 | 97.5 Ų | 97.5 | 47% | 0.471 | 45% | 0.452 | S | S | . | . | trans | -86.8 | 83.8 | 178.8 | -89.9 | -32.4 | 0 | 0 | 0 | 113.4 | L42 N43 K47 L48 V49 | L42-N45 PolarHBondContact O-N 3.1Å; N43-N45 PolarHBondContact O-N 2.54Å; N45-K47 PolarHBondContact O-N 3.04Å; N45-L48 HydrophobicContact CB-CB 4.34Å; N45-L48 HydrophobicContact CB-CD1 4.09Å; N45-L48 HydrophobicContact CB-CG 4.34Å; N45-L48 PolarHBondContact O-N 3.03Å; N45-L48 VanDerWaalsContact O-N 3.14Å; N45-V49 PolarHBondContact O-N 3.38Å | ||
| 46 | K | 73.5 | Confident | 76.4 | Confident | 171 Ų | 171 | 95.9 Ų | 95.9 | 74% | 0.743 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -52.9 | -31.7 | -179.7 | -68.1 | -179.2 | -177.3 | 173.2 | 0 | 114.4 | K44 K50 | K44-K46 PolarHBondContact O-N 3.06Å; K44-K46 VanDerWaalsContact O-N 3.15Å; K46-K50 WeakPolarHBondContact O-CB 3.26Å; K46-K50 VanDerWaalsContact O-CG 3.3Å; K46-K50 WeakPolarHBondContact O-CG 3.46Å; K46-K50 PolarHBondContact O-N 3.25Å |
| 47 | K | 81.4 | Confident | 76.6 | Confident | 187 Ų | 187 | 96.3 Ų | 96.3 | 81% | 0.813 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -70.3 | -45.4 | 180 | -72.8 | -178.2 | 174.2 | 175.2 | 0 | 112 | N45 K50 K51 | N45-K47 PolarHBondContact O-N 3.04Å; K47-K50 PolarHBondContact O-N 3.08Å; K47-K51 PolarHBondContact O-N 3.31Å |
| 48 | L | 80 | Confident | 77 | Confident | 81 Ų | 81 | 90 Ų | 90 | 42% | 0.424 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.2 | -41.6 | -179.4 | -65.4 | 176.3 | 0 | 0 | 0 | 111.2 | L42 N45 K50 K51 L52 | L42-L48 HydrophobicContact CD2-CB 3.64Å; L42-L48 HydrophobicContact CD2-CD1 4.18Å; N45-L48 HydrophobicContact CB-CB 4.34Å; N45-L48 HydrophobicContact CB-CD1 4.09Å; N45-L48 HydrophobicContact CB-CG 4.34Å; N45-L48 PolarHBondContact O-N 3.03Å; N45-L48 VanDerWaalsContact O-N 3.14Å; L48-K50 VanDerWaalsContact C-N 3.31Å; L48-K50 PolarHBondContact O-N 3.14Å; L48-K51 WeakPolarHBondContact O-CB 3.44Å; L48-K51 PolarHBondContact O-N 3.21Å; L48-K51 VanDerWaalsContact O-N 3.08Å; L48-L52 WeakPolarHBondContact O-CB 3.19Å; L48-L52 PolarHBondContact O-N 3.05Å |
| 49 | V | 77.3 | Confident | 77.4 | Confident | 7 Ų | 7 | 88.5 Ų | 88.5 | 4% | 0.042 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 174.9 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | N45 L52 A53 L73 L77 | N45-V49 PolarHBondContact O-N 3.38Å; V49-L52 PolarHBondContact O-N 3.22Å; V49-A53 WeakPolarHBondContact O-CB 3.43Å; V49-A53 PolarHBondContact O-N 3.38Å; V49-L73 HydrophobicContact CG1-CD2 4.29Å; V49-L73 HydrophobicContact CG2-CD2 4.02Å; V49-L77 HydrophobicContact CG1-CG 4.34Å |
| 50 | K | 79.6 | Confident | 78 | Confident | 140 Ų | 140 | 88.3 Ų | 88.3 | 61% | 0.609 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.7 | -37.5 | 173.9 | -78.4 | 179.1 | -179.9 | -177.4 | 0 | 112.8 | K46 K47 L48 L52 K54 | K46-K50 WeakPolarHBondContact O-CB 3.26Å; K46-K50 VanDerWaalsContact O-CG 3.3Å; K46-K50 WeakPolarHBondContact O-CG 3.46Å; K46-K50 PolarHBondContact O-N 3.25Å; K47-K50 PolarHBondContact O-N 3.08Å; L48-K50 VanDerWaalsContact C-N 3.31Å; L48-K50 PolarHBondContact O-N 3.14Å; K50-L52 VanDerWaalsContact C-N 3.35Å; K50-K54 WeakPolarHBondContact O-CG 3.27Å; K50-K54 PolarHBondContact O-N 3.06Å; K50-K54 VanDerWaalsContact O-N 3.16Å |
| 51 | K | 83.9 | Confident | 78.6 | Confident | 156 Ų | 156 | 82.2 Ų | 82.2 | 68% | 0.678 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.7 | -41.5 | 176.8 | -167.4 | 176.2 | -178.3 | -179.9 | 0 | 110.8 | K47 L48 K54 K55 | K47-K51 PolarHBondContact O-N 3.31Å; L48-K51 WeakPolarHBondContact O-CB 3.44Å; L48-K51 PolarHBondContact O-N 3.21Å; L48-K51 VanDerWaalsContact O-N 3.08Å; K51-K54 PolarHBondContact O-N 3.36Å; K51-K55 PolarHBondContact O-N 3.21Å |
| 52 | L | 80 | Confident | 79 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 177.9 | -156.4 | 155.8 | 0 | 0 | 0 | 111.9 | M34 L42 L48 V49 K50 K54 K55 Y56 F59 | M34-L52 HydrophobicContact CE-CD1 4.2Å; M34-L52 HydrophobicContact SD-CD1 3.58Å; M34-L52 VanDerWaalsContact SD-CD1 3.58Å; L42-L52 HydrophobicContact CD1-CD1 3.54Å; L48-L52 WeakPolarHBondContact O-CB 3.19Å; L48-L52 PolarHBondContact O-N 3.05Å; V49-L52 PolarHBondContact O-N 3.22Å; K50-L52 VanDerWaalsContact C-N 3.35Å; L52-K54 PolarHBondContact O-N 2.92Å; L52-K55 PolarHBondContact O-N 2.91Å; L52-Y56 HydrophobicContact CD2-CD2 3.95Å; L52-Y56 HydrophobicContact CD2-CE2 4.36Å; L52-Y56 HydrophobicContact CG-CD2 4.42Å; L52-Y56 HydrophobicContact CG-CE2 4.48Å; L52-Y56 PolarHBondContact O-N 3.2Å; L52-F59 HydrophobicContact CD2-CD1 4.48Å; L52-F59 HydrophobicContact CD2-CE1 3.3Å; L52-F59 HydrophobicContact CD2-CZ 3.44Å; L52-F59 VanDerWaalsContact CD2-CZ 3.44Å |
| 53 | A | 77.6 | Confident | 79.5 | Confident | 7 Ų | 7 | 78 Ų | 78 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.8 | -23.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V49 L77 A80 K82 | V49-A53 WeakPolarHBondContact O-CB 3.43Å; V49-A53 PolarHBondContact O-N 3.38Å; A53-L77 HydrophobicContact CB-CD2 3.85Å; A53-A80 HydrophobicContact CB-CB 4.25Å; A53-K82 WeakPolarHBondContact O-CD 3.46Å; A53-K82 PolarHBondContact O-NZ 3.31Å |
| 54 | K | 82.1 | Confident | 80.2 | Confident | 178 Ų | 178 | 77.4 Ų | 77.4 | 77% | 0.774 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -83.6 | -29.9 | 172.8 | -75.1 | -177 | -179.8 | -171 | 0 | 112.8 | K50 K51 L52 | K50-K54 WeakPolarHBondContact O-CG 3.27Å; K50-K54 PolarHBondContact O-N 3.06Å; K50-K54 VanDerWaalsContact O-N 3.16Å; K51-K54 PolarHBondContact O-N 3.36Å; L52-K54 PolarHBondContact O-N 2.92Å |
| 55 | K | 83.2 | Confident | 80.7 | Confident | 141 Ų | 141 | 68.8 Ų | 68.8 | 61% | 0.613 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -72.9 | -40.5 | -177.6 | -169.9 | -179 | 178.7 | -164 | 0 | 112.3 | S13 K51 L52 | S13-K55 PolarHBondContact OG-O 3.38Å; K51-K55 PolarHBondContact O-N 3.21Å; L52-K55 PolarHBondContact O-N 2.91Å |
| 56 | Y | 83.1 | Confident | 81.1 | Confident | 33 Ų | 33 | 66.3 Ų | 66.3 | 13% | 0.129 | 31% | 0.309 | C | S | . | . | trans | -113.2 | 145.1 | -177.1 | -55.6 | -66.3 | 0 | 0 | 0 | 112.2 | S13 C15 P32 L52 F59 K82 | S13-Y56 WeakPolarHBondContact OG-CA 3.11Å; C15-Y56 HydrophobicContact CB-CD1 4.02Å; C15-Y56 HydrophobicContact CB-CD2 3.65Å; C15-Y56 HydrophobicContact CB-CE1 4.4Å; C15-Y56 HydrophobicContact CB-CE2 4.03Å; C15-Y56 HydrophobicContact CB-CG 3.63Å; P32-Y56 HydrophobicContact CB-CE1 3.72Å; P32-Y56 WeakPolarHBondContact CB-OH 3.44Å; P32-Y56 HydrophobicContact CG-CD1 4.17Å; P32-Y56 HydrophobicContact CG-CE1 3.55Å; L52-Y56 HydrophobicContact CD2-CD2 3.95Å; L52-Y56 HydrophobicContact CD2-CE2 4.36Å; L52-Y56 HydrophobicContact CG-CD2 4.42Å; L52-Y56 HydrophobicContact CG-CE2 4.48Å; L52-Y56 PolarHBondContact O-N 3.2Å; Y56-F59 AromaticContact CD2-CE1 3.92Å; Y56-F59 HydrophobicContact CD2-CE1 3.92Å; Y56-F59 HydrophobicContact CD2-CZ 4.19Å; Y56-F59 HydrophobicContact CG-CE1 4.33Å; Y56-F59 HydrophobicContact CG-CZ 4.47Å; Y56-K82 WeakPolarHBondContact O-CD 3.31Å; Y56-K82 PolarHBondContact O-NZ 3.33Å | ||
| 57 | D | 78.1 | Confident | 81.5 | Confident | 59 Ų | 59 | 66.3 Ų | 66.3 | 32% | 0.316 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -87.5 | -36.4 | -177 | -68.3 | -53.9 | 0 | 0 | 0 | 113 | F12 S13 K82 | F12-D57 HydrophobicContact CD1-CB 4.27Å; F12-D57 HydrophobicContact CD2-CB 3.64Å; F12-D57 HydrophobicContact CE1-CB 3.99Å; F12-D57 HydrophobicContact CE2-CB 3.33Å; F12-D57 HydrophobicContact CG-CB 4.12Å; F12-D57 HydrophobicContact CZ-CB 3.53Å; S13-D57 PolarHBondContact O-N 3.08Å; D57-K82 WeakPolarHBondContact O-CD 3.48Å; D57-K82 WeakPolarHBondContact O-CE 3.43Å; D57-K82 IonicContact OD1-NZ 2.82Å |
| 58 | A | 83.3 | Confident | 81.4 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 159.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F12 S13 V14 C15 V100 | F12-A58 HydrophobicContact CE1-CB 3.52Å; F12-A58 HydrophobicContact CZ-CB 3.78Å; S13-A58 PolarHBondContact O-N 3.3Å; V14-A58 WeakPolarHBondContact CA-O 3.3Å; V14-A58 HydrophobicContact CG1-CB 4.49Å; V14-A58 HydrophobicContact CG2-CB 4.36Å; C15-A58 PolarHBondContact N-O 2.98Å; A58-V100 HydrophobicContact CB-CG1 3.47Å; A58-V100 VanDerWaalsContact CB-CG1 3.47Å |
| 59 | F | 84.1 | Confident | 81.4 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 139.1 | 175.6 | -63.6 | -81.2 | 0 | 0 | 0 | 109.4 | C15 L17 L52 Y56 L77 K82 P84 S85 | C15-F59 HydrophobicContact CB-CD1 3.67Å; C15-F59 HydrophobicContact CB-CE1 3.68Å; C15-F59 CarbonylContact O-C 3.57Å; C15-F59 VanDerWaalsContact O-CA 3.27Å; C15-F59 WeakPolarHBondContact O-CA 3.42Å; L17-F59 HydrophobicContact CD1-CB 4.39Å; L17-F59 HydrophobicContact CD1-CD1 4.16Å; L17-F59 HydrophobicContact CG-CD1 4.35Å; L52-F59 HydrophobicContact CD2-CD1 4.48Å; L52-F59 HydrophobicContact CD2-CE1 3.3Å; L52-F59 HydrophobicContact CD2-CZ 3.44Å; L52-F59 VanDerWaalsContact CD2-CZ 3.44Å; Y56-F59 AromaticContact CD2-CE1 3.92Å; Y56-F59 HydrophobicContact CD2-CE1 3.92Å; Y56-F59 HydrophobicContact CD2-CZ 4.19Å; Y56-F59 HydrophobicContact CG-CE1 4.33Å; Y56-F59 HydrophobicContact CG-CZ 4.47Å; F59-L77 HydrophobicContact CD2-CD2 4.07Å; F59-L77 HydrophobicContact CE2-CD2 3.59Å; F59-L77 HydrophobicContact CZ-CD2 4.06Å; F59-K82 HydrophobicContact CD2-CB 4.1Å; F59-K82 HydrophobicContact CE2-CB 4.14Å; F59-K82 HydrophobicContact CE2-CD 4.35Å; F59-P84 HydrophobicContact CB-CB 3.82Å; F59-P84 HydrophobicContact CB-CG 3.79Å; F59-P84 CarbonylContact O-C 3.56Å; F59-P84 WeakPolarHBondContact O-CA 3.44Å; F59-S85 PolarHBondContact O-N 3.15Å |
| 60 | L | 85.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138.7 | 166.5 | -70.2 | 175.6 | 0 | 0 | 0 | 107.7 | V14 C15 L17 S85 K96 V97 V100 | V14-L60 HydrophobicContact CG1-CD1 3.89Å; V14-L60 HydrophobicContact CG1-CG 3.83Å; C15-L60 PolarHBondContact O-N 3.03Å; L17-L60 WeakPolarHBondContact CB-O 3.47Å; L17-L60 PolarHBondContact N-O 3.14Å; L60-S85 WeakPolarHBondContact CA-O 3.32Å; L60-K96 HydrophobicContact CD1-CB 4.39Å; L60-V97 HydrophobicContact CD1-CG2 3.58Å; L60-V100 HydrophobicContact CD2-CG2 3.88Å |
| 61 | A | 85 | Confident | 81.6 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 135.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L17 I69 P84 S85 L86 L87 | L17-A61 HydrophobicContact CB-CB 4.42Å; L17-A61 VanDerWaalsContact O-CA 3.25Å; L17-A61 WeakPolarHBondContact O-CA 3.45Å; A61-I69 HydrophobicContact CB-CD1 3.36Å; A61-P84 HydrophobicContact CB-CB 3.56Å; A61-P84 HydrophobicContact CB-CG 4.36Å; A61-S85 PolarHBondContact N-O 3.39Å; A61-L86 CarbonylContact O-C 3.5Å; A61-L87 PolarHBondContact O-N 3.47Å |
| 62 | S | 83 | Confident | 81.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 148.4 | 169 | -169.9 | 0 | 0 | 0 | 0 | 111 | L17 D19 S64 L65 I66 H89 | L17-S62 PolarHBondContact O-N 3.16Å; D19-S62 PolarHBondContact OD2-OG 2.97Å; D19-S62 VanDerWaalsContact OD2-OG 3.06Å; S62-S64 WeakPolarHBondContact CB-OG 3.29Å; S62-S64 PolarHBondContact O-N 3.26Å; S62-S64 PolarHBondContact OG-OG 3.22Å; S62-S64 VanDerWaalsContact OG-OG 3.1Å; S62-L65 PolarHBondContact O-N 2.99Å; S62-I66 PolarHBondContact O-N 3.29Å; S62-H89 PolarHBondContact OG-CE1 2.75Å |
| 63 | E | 81.2 | Confident | 81 | Confident | 102 Ų | 102 | 58.1 Ų | 58.1 | 48% | 0.477 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.5 | -35.6 | 178.1 | -175.5 | 173.1 | -176.2 | 0 | 0 | 112.8 | L65 I66 L86 L87 | E63-L65 PolarHBondContact O-N 2.88Å; E63-I66 WeakPolarHBondContact O-CG2 3.48Å; E63-L86 HydrophobicContact CB-CD1 4.03Å; E63-L86 HydrophobicContact CG-CD1 4.17Å; E63-L87 PolarHBondContact N-O 3.16Å |
| 64 | S | 79.9 | Confident | 80.8 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.2 | -33.8 | 174.5 | 57.9 | 0 | 0 | 0 | 0 | 112.8 | D19 S62 | D19-S64 VanDerWaalsContact CG-OG 3.25Å; D19-S64 PolarHBondContact OD1-OG 3.29Å; D19-S64 WeakPolarHBondContact OD2-CB 3.49Å; D19-S64 PolarHBondContact OD2-OG 2.92Å; S62-S64 WeakPolarHBondContact CB-OG 3.29Å; S62-S64 PolarHBondContact O-N 3.26Å; S62-S64 PolarHBondContact OG-OG 3.22Å; S62-S64 VanDerWaalsContact OG-OG 3.1Å |
| 65 | L | 78.5 | Confident | 80.6 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -99.9 | -24.3 | -170.8 | -68.3 | 170.2 | 0 | 0 | 0 | 113.5 | G18 I36 S62 E63 K67 Q68 I69 | G18-L65 VanDerWaalsContact C-CD1 3.42Å; I36-L65 HydrophobicContact CD1-CD2 3.79Å; I36-L65 HydrophobicContact CG1-CD1 4.1Å; I36-L65 HydrophobicContact CG1-CD2 3.66Å; I36-L65 HydrophobicContact CG1-CG 4.45Å; S62-L65 PolarHBondContact O-N 2.99Å; E63-L65 PolarHBondContact O-N 2.88Å; L65-K67 PolarHBondContact O-N 3.26Å; L65-K67 VanDerWaalsContact O-N 3.12Å; L65-Q68 PolarHBondContact O-N 2.92Å; L65-I69 VanDerWaalsContact O-CG1 3.31Å; L65-I69 WeakPolarHBondContact O-CG1 2.89Å; L65-I69 PolarHBondContact O-N 3.01Å |
| 66 | I | 82.7 | Confident | 80.1 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 19% | 0.19 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.9 | -34.9 | -175.2 | -157.1 | 166.9 | 0 | 0 | 0 | 112.9 | S62 E63 P70 F83 L86 | S62-I66 PolarHBondContact O-N 3.29Å; E63-I66 WeakPolarHBondContact O-CG2 3.48Å; I66-P70 WeakPolarHBondContact O-CD 3.46Å; I66-F83 HydrophobicContact CD1-CE1 4.49Å; I66-F83 HydrophobicContact CG1-CE1 4.27Å; I66-L86 HydrophobicContact CB-CD1 4.38Å; I66-L86 HydrophobicContact CD1-CB 4.1Å; I66-L86 HydrophobicContact CD1-CD1 3.68Å; I66-L86 HydrophobicContact CG2-CD1 4.02Å |
| 67 | K | 81.8 | Confident | 79.7 | Confident | 171 Ų | 171 | 48.3 Ų | 48.3 | 74% | 0.743 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -29.5 | 177.9 | -63.8 | 177.2 | -176 | 170.7 | 0 | 112.7 | L65 | L65-K67 PolarHBondContact O-N 3.26Å; L65-K67 VanDerWaalsContact O-N 3.12Å |
| 68 | Q | 80.1 | Confident | 79.6 | Confident | 93 Ų | 93 | 50.7 Ų | 50.7 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -23.6 | -176.7 | -55 | -172.4 | 20.1 | 0 | 0 | 112.7 | L65 R71 I72 | L65-Q68 PolarHBondContact O-N 2.92Å; Q68-R71 WeakPolarHBondContact O-CB 3.49Å; Q68-R71 PolarHBondContact O-N 3.05Å; Q68-I72 HydrophobicContact CB-CD1 3.79Å; Q68-I72 HydrophobicContact CB-CG1 4.47Å; Q68-I72 WeakPolarHBondContact O-CG1 3.39Å; Q68-I72 PolarHBondContact O-N 3.03Å |
| 69 | I | 79.9 | Confident | 79.1 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.1 | -46.8 | -177 | -77.6 | 166.8 | 0 | 0 | 0 | 113.8 | L17 A61 L65 R71 I72 L73 F83 P84 | L17-I69 HydrophobicContact CD1-CD1 4.31Å; A61-I69 HydrophobicContact CB-CD1 3.36Å; L65-I69 VanDerWaalsContact O-CG1 3.31Å; L65-I69 WeakPolarHBondContact O-CG1 2.89Å; L65-I69 PolarHBondContact O-N 3.01Å; I69-R71 PolarHBondContact O-N 3.37Å; I69-I72 PolarHBondContact O-N 3.35Å; I69-L73 HydrophobicContact CB-CD1 4.49Å; I69-L73 HydrophobicContact CG1-CD1 4.26Å; I69-L73 HydrophobicContact CG2-CD1 3.95Å; I69-L73 WeakPolarHBondContact O-CB 3.39Å; I69-L73 PolarHBondContact O-N 3.23Å; I69-F83 HydrophobicContact CG2-CE2 4.41Å; I69-P84 HydrophobicContact CD1-CB 4.3Å; I69-P84 HydrophobicContact CD1-CG 3.89Å; I69-P84 HydrophobicContact CG2-CG 4.17Å |
| 70 | P | 80.1 | Confident | 78.6 | Confident | 69 Ų | 69 | 61.9 Ų | 61.9 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.4 | -32.9 | 178.1 | -23.7 | 33.4 | 0 | 0 | 0 | 113.3 | I66 G74 F83 | I66-P70 WeakPolarHBondContact O-CD 3.46Å; P70-G74 WeakPolarHBondContact O-CA 3.47Å; P70-G74 PolarHBondContact O-N 2.93Å; P70-F83 HydrophobicContact CG-CE2 4.23Å; P70-F83 HydrophobicContact CG-CZ 4.38Å |
| 71 | R | 80.2 | Confident | 78 | Confident | 225 Ų | 225 | 63.1 Ų | 63.1 | 85% | 0.849 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -78.1 | -41.2 | -179.4 | -171.8 | 178.8 | -179.2 | -174.4 | 0.7 | 112.2 | Q68 I69 | Q68-R71 WeakPolarHBondContact O-CB 3.49Å; Q68-R71 PolarHBondContact O-N 3.05Å; I69-R71 PolarHBondContact O-N 3.37Å |
| 72 | I | 78.9 | Confident | 77.7 | Confident | 18 Ų | 18 | 65.4 Ų | 65.4 | 9% | 0.092 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -81.2 | -49.4 | -175 | -61.4 | 170.2 | 0 | 0 | 0 | 111.4 | L39 N43 Q68 I69 G74 | L39-I72 HydrophobicContact CB-CG2 4.31Å; L39-I72 WeakPolarHBondContact O-CG2 3.45Å; N43-I72 HydrophobicContact CB-CG2 4.26Å; N43-I72 PolarHBondContact OD1-O 2.92Å; Q68-I72 HydrophobicContact CB-CD1 3.79Å; Q68-I72 HydrophobicContact CB-CG1 4.47Å; Q68-I72 WeakPolarHBondContact O-CG1 3.39Å; Q68-I72 PolarHBondContact O-N 3.03Å; I69-I72 PolarHBondContact O-N 3.35Å; I72-G74 VanDerWaalsContact C-N 3.35Å |
| 73 | L | 73.3 | Confident | 77.5 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 7% | 0.068 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -10 | -175.8 | -71.4 | 155.1 | 0 | 0 | 0 | 112.1 | L17 L39 V49 I69 L77 | L17-L73 HydrophobicContact CD1-CD1 4.3Å; L39-L73 HydrophobicContact CD2-CD1 3.76Å; L39-L73 HydrophobicContact CD2-CD2 4.08Å; L39-L73 HydrophobicContact CD2-CG 4.21Å; V49-L73 HydrophobicContact CG1-CD2 4.29Å; V49-L73 HydrophobicContact CG2-CD2 4.02Å; I69-L73 HydrophobicContact CB-CD1 4.49Å; I69-L73 HydrophobicContact CG1-CD1 4.26Å; I69-L73 HydrophobicContact CG2-CD1 3.95Å; I69-L73 WeakPolarHBondContact O-CB 3.39Å; I69-L73 PolarHBondContact O-N 3.23Å; L73-L77 HydrophobicContact CB-CD1 3.95Å; L73-L77 HydrophobicContact CD1-CD1 3.55Å; L73-L77 HydrophobicContact CD2-CD1 4.33Å; L73-L77 HydrophobicContact CG-CD1 4.12Å |
| 74 | G | 74.1 | Confident | 77.5 | Confident | 23 Ų | 23 | 65 Ų | 65 | 24% | 0.237 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | -165.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P70 I72 G76 | P70-G74 WeakPolarHBondContact O-CA 3.47Å; P70-G74 PolarHBondContact O-N 2.93Å; I72-G74 VanDerWaalsContact C-N 3.35Å; G74-G76 PolarHBondContact O-N 3.39Å |
| 75 | P | 76.3 | Confident | 77.7 | Confident | 102 Ų | 102 | 65.2 Ų | 65.2 | 66% | 0.662 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -71.2 | 0.9 | -178.4 | 30 | -36 | 0 | 0 | 0 | 113.7 | L77 N78 K79 | P75-L77 PolarHBondContact O-N 3.12Å; P75-N78 PolarHBondContact O-N 2.87Å; P75-K79 VanDerWaalsContact O-CB 3.23Å; P75-K79 WeakPolarHBondContact O-CB 3.3Å; P75-K79 PolarHBondContact O-N 3.15Å |
| 76 | G | 74 | Confident | 77.9 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 25% | 0.247 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G74 A80 | G74-G76 PolarHBondContact O-N 3.39Å; G76-A80 PolarHBondContact O-N 3.41Å |
| 77 | L | 74 | Confident | 77.7 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -75.7 | -38.7 | 178.5 | -71.1 | 173 | 0 | 0 | 0 | 112.6 | V49 A53 F59 L73 P75 A80 G81 K82 | V49-L77 HydrophobicContact CG1-CG 4.34Å; A53-L77 HydrophobicContact CB-CD2 3.85Å; F59-L77 HydrophobicContact CD2-CD2 4.07Å; F59-L77 HydrophobicContact CE2-CD2 3.59Å; F59-L77 HydrophobicContact CZ-CD2 4.06Å; L73-L77 HydrophobicContact CB-CD1 3.95Å; L73-L77 HydrophobicContact CD1-CD1 3.55Å; L73-L77 HydrophobicContact CD2-CD1 4.33Å; L73-L77 HydrophobicContact CG-CD1 4.12Å; P75-L77 PolarHBondContact O-N 3.12Å; L77-A80 WeakPolarHBondContact O-CB 3.48Å; L77-A80 PolarHBondContact O-N 3.27Å; L77-G81 PolarHBondContact O-N 2.98Å; L77-K82 PolarHBondContact O-N 2.91Å |
| 78 | N | 76 | Confident | 77.6 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67 | -41 | 178.9 | -166.1 | 18 | 0 | 0 | 0 | 111.3 | P75 A80 G81 | P75-N78 PolarHBondContact O-N 2.87Å; N78-A80 PolarHBondContact O-N 3.03Å; N78-G81 WeakPolarHBondContact O-CA 3.5Å; N78-G81 PolarHBondContact O-N 2.79Å |
| 79 | K | 73.8 | Confident | 77.2 | Confident | 197 Ų | 197 | 60 Ų | 60 | 86% | 0.857 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.2 | -29.3 | 174.6 | -169.1 | 169.4 | -175.3 | 170.6 | 0 | 112.6 | P75 G81 | P75-K79 VanDerWaalsContact O-CB 3.23Å; P75-K79 WeakPolarHBondContact O-CB 3.3Å; P75-K79 PolarHBondContact O-N 3.15Å; K79-G81 PolarHBondContact O-N 2.86Å |
| 80 | A | 73.3 | Confident | 76.8 | Confident | 52 Ų | 52 | 67.5 Ų | 67.5 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -8.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A53 G76 L77 N78 K82 | A53-A80 HydrophobicContact CB-CB 4.25Å; G76-A80 PolarHBondContact O-N 3.41Å; L77-A80 WeakPolarHBondContact O-CB 3.48Å; L77-A80 PolarHBondContact O-N 3.27Å; N78-A80 PolarHBondContact O-N 3.03Å; A80-K82 HydrophobicContact CB-CG 4.48Å; A80-K82 PolarHBondContact O-N 3.12Å |
| 81 | G | 72.8 | Confident | 76.4 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 28% | 0.278 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 9.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L77 N78 K79 | L77-G81 PolarHBondContact O-N 2.98Å; N78-G81 WeakPolarHBondContact O-CA 3.5Å; N78-G81 PolarHBondContact O-N 2.79Å; K79-G81 PolarHBondContact O-N 2.86Å |
| 82 | K | 78.9 | Confident | 76.2 | Confident | 47 Ų | 47 | 63.5 Ų | 63.5 | 20% | 0.204 | 35% | 0.354 | C | S | . | . | trans | -105 | 50.9 | -176.5 | -61.6 | -177.2 | 175.2 | -175.1 | 0 | 110.5 | A53 Y56 D57 F59 L77 A80 | A53-K82 WeakPolarHBondContact O-CD 3.46Å; A53-K82 PolarHBondContact O-NZ 3.31Å; Y56-K82 WeakPolarHBondContact O-CD 3.31Å; Y56-K82 PolarHBondContact O-NZ 3.33Å; D57-K82 WeakPolarHBondContact O-CD 3.48Å; D57-K82 WeakPolarHBondContact O-CE 3.43Å; D57-K82 IonicContact OD1-NZ 2.82Å; F59-K82 HydrophobicContact CD2-CB 4.1Å; F59-K82 HydrophobicContact CE2-CB 4.14Å; F59-K82 HydrophobicContact CE2-CD 4.35Å; L77-K82 PolarHBondContact O-N 2.91Å; A80-K82 HydrophobicContact CB-CG 4.48Å; A80-K82 PolarHBondContact O-N 3.12Å | ||
| 83 | F | 78.2 | Confident | 76.1 | Confident | 89 Ų | 89 | 63.1 Ų | 63.1 | 39% | 0.39 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 134.8 | 175.4 | -164.4 | -99.1 | 0 | 0 | 0 | 109.2 | I66 I69 P70 | I66-F83 HydrophobicContact CD1-CE1 4.49Å; I66-F83 HydrophobicContact CG1-CE1 4.27Å; I69-F83 HydrophobicContact CG2-CE2 4.41Å; P70-F83 HydrophobicContact CG-CE2 4.23Å; P70-F83 HydrophobicContact CG-CZ 4.38Å |
| 84 | P | 81.1 | Confident | 76.3 | Confident | 4 Ų | 4 | 67 Ų | 67 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 142.3 | -177.6 | -22.8 | 33.8 | 0 | 0 | 0 | 112 | L17 F59 A61 I69 | L17-P84 HydrophobicContact CD1-CG 4.29Å; F59-P84 HydrophobicContact CB-CB 3.82Å; F59-P84 HydrophobicContact CB-CG 3.79Å; F59-P84 CarbonylContact O-C 3.56Å; F59-P84 WeakPolarHBondContact O-CA 3.44Å; A61-P84 HydrophobicContact CB-CB 3.56Å; A61-P84 HydrophobicContact CB-CG 4.36Å; I69-P84 HydrophobicContact CD1-CB 4.3Å; I69-P84 HydrophobicContact CD1-CG 3.89Å; I69-P84 HydrophobicContact CG2-CG 4.17Å |
| 85 | S | 83.4 | Confident | 76.7 | Confident | 56 Ų | 56 | 69.3 Ų | 69.3 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 148.3 | 168.2 | -52.9 | 0 | 0 | 0 | 0 | 109.4 | F59 L60 A61 | F59-S85 PolarHBondContact O-N 3.15Å; L60-S85 WeakPolarHBondContact CA-O 3.32Å; A61-S85 PolarHBondContact N-O 3.39Å |
| 86 | L | 82.6 | Confident | 76.9 | Confident | 72 Ų | 72 | 66.7 Ų | 66.7 | 38% | 0.377 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 136 | 177.2 | -169.8 | 86.7 | 0 | 0 | 0 | 110 | A61 E63 I66 T88 | A61-L86 CarbonylContact O-C 3.5Å; E63-L86 HydrophobicContact CB-CD1 4.03Å; E63-L86 HydrophobicContact CG-CD1 4.17Å; I66-L86 HydrophobicContact CB-CD1 4.38Å; I66-L86 HydrophobicContact CD1-CB 4.1Å; I66-L86 HydrophobicContact CD1-CD1 3.68Å; I66-L86 HydrophobicContact CG2-CD1 4.02Å; L86-T88 HydrophobicContact CD2-CG2 3.8Å; L86-T88 HydrophobicContact CG-CG2 4.4Å |
| 87 | L | 79.9 | Confident | 77.2 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125 | 166.4 | -174.9 | 68.7 | 0 | 0 | 0 | 107.5 | V16 A61 E63 L93 K96 | V16-L87 HydrophobicContact CG1-CD2 4.41Å; A61-L87 PolarHBondContact O-N 3.47Å; E63-L87 PolarHBondContact N-O 3.16Å; L87-L93 HydrophobicContact CD2-CD1 3.89Å; L87-L93 HydrophobicContact CD2-CG 4.24Å; L87-K96 HydrophobicContact CD1-CB 3.92Å; L87-K96 HydrophobicContact CD1-CG 3.89Å |
| 88 | T | 79.1 | Confident | 77.5 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | trans | -99.8 | 152 | 174.8 | 56.8 | 0 | 0 | 0 | 0 | 109.5 | L86 N90 E91 | L86-T88 HydrophobicContact CD2-CG2 3.8Å; L86-T88 HydrophobicContact CG-CG2 4.4Å; T88-N90 PolarHBondContact O-N 3.19Å; T88-E91 PolarHBondContact O-N 3.08Å; T88-E91 WeakPolarHBondContact OG1-CG 3.07Å | ||
| 89 | H | 72.3 | Confident | 77.7 | Confident | 90 Ų | 90 | 65.7 Ų | 65.7 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14.6 | 179.8 | -58 | -62.1 | 0 | 0 | 0 | 114 | H22 S62 | H22-H89 AromaticContact CD2-CE1 3.55Å; H22-H89 AromaticContact CD2-ND1 3.58Å; H22-H89 AromaticContact CE1-ND1 3.43Å; H22-H89 PolarHBondContact CE1-ND1 3.43Å; H22-H89 AromaticContact NE2-CE1 3.22Å; H22-H89 PolarHBondContact NE2-CE1 3.46Å; H22-H89 AromaticContact NE2-CG 3.88Å; H22-H89 AromaticContact NE2-ND1 2.9Å; H22-H89 PolarHBondContact NE2-ND1 2.69Å; S62-H89 PolarHBondContact OG-CE1 2.75Å |
| 90 | N | 71.6 | Confident | 78.1 | Confident | 163 Ų | 163 | 57.3 Ų | 57.3 | 87% | 0.872 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -8.7 | 179.2 | -74.9 | -15.8 | 0 | 0 | 0 | 113.2 | T88 | T88-N90 PolarHBondContact O-N 3.19Š|
| 91 | E | 71.7 | Confident | 78.4 | Confident | 87 Ų | 87 | 57.5 Ų | 57.5 | 41% | 0.407 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -106.6 | 136.5 | -175.8 | -73 | 179.2 | 179.8 | 0 | 0 | 111.8 | T88 L93 K96 | T88-E91 PolarHBondContact O-N 3.08Å; T88-E91 WeakPolarHBondContact OG1-CG 3.07Å; E91-L93 PolarHBondContact O-N 3.1Å; E91-K96 WeakPolarHBondContact OE2-CE 3.33Å; E91-K96 WeakPolarHBondContact OE2-CG 3.22Å; E91-K96 IonicContact OE2-NZ 3.92Å |
| 92 | N | 75.9 | Confident | 78.6 | Confident | 124 Ų | 124 | 56.6 Ų | 56.6 | 66% | 0.663 | 29% | 0.294 | S | S | * | . | trans | -63.6 | 123.7 | 174.9 | -74 | -31.9 | 0 | 0 | 0 | 110.9 | N94 T95 K96 | N92-N94 VanDerWaalsContact C-N 3.28Å; N92-N94 PolarHBondContact O-N 3.39Å; N92-T95 PolarHBondContact O-N 3.45Å; N92-T95 VanDerWaalsContact O-N 3.15Å; N92-K96 PolarHBondContact O-N 3.24Å; N92-K96 VanDerWaalsContact O-N 3.12Å | ||
| 93 | L | 75.7 | Confident | 78.7 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.9 | -40.7 | -179 | -166.7 | 147 | 0 | 0 | 0 | 112.2 | V16 E25 A26 L31 L87 E91 K96 V97 | V16-L93 HydrophobicContact CG1-CD1 4.13Å; V16-L93 HydrophobicContact CG2-CD1 4.13Å; V16-L93 HydrophobicContact CG2-CD2 4.19Å; V16-L93 HydrophobicContact CG2-CG 4.46Å; E25-L93 HydrophobicContact CB-CD1 4.13Å; A26-L93 HydrophobicContact CB-CD1 4.21Å; L31-L93 HydrophobicContact CD1-CD2 3.26Å; L87-L93 HydrophobicContact CD2-CD1 3.89Å; L87-L93 HydrophobicContact CD2-CG 4.24Å; E91-L93 PolarHBondContact O-N 3.1Å; L93-K96 PolarHBondContact O-N 3.47Å; L93-V97 HydrophobicContact CD2-CG2 3.92Å; L93-V97 WeakPolarHBondContact O-CB 3.41Å; L93-V97 WeakPolarHBondContact O-CG2 3.23Å; L93-V97 PolarHBondContact O-N 3.22Å |
| 94 | N | 78.6 | Confident | 78.7 | Confident | 94 Ų | 94 | 53 Ų | 53 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 177.7 | -74.9 | -18.8 | 0 | 0 | 0 | 112.7 | N92 K96 V97 D98 | N92-N94 VanDerWaalsContact C-N 3.28Å; N92-N94 PolarHBondContact O-N 3.39Å; N94-K96 VanDerWaalsContact C-N 3.31Å; N94-K96 PolarHBondContact O-N 2.73Å; N94-V97 PolarHBondContact O-N 2.91Å; N94-D98 PolarHBondContact O-N 2.92Å |
| 95 | T | 81.9 | Confident | 78.5 | Confident | 72 Ų | 72 | 58.8 Ų | 58.8 | 44% | 0.442 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 177.4 | -51.5 | 0 | 0 | 0 | 0 | 110.6 | N92 D98 E99 | N92-T95 PolarHBondContact O-N 3.45Å; N92-T95 VanDerWaalsContact O-N 3.15Å; T95-D98 PolarHBondContact O-N 3.25Å; T95-E99 WeakPolarHBondContact O-CB 3.4Å; T95-E99 VanDerWaalsContact O-CG 3.29Å; T95-E99 WeakPolarHBondContact O-CG 3.21Å; T95-E99 PolarHBondContact O-N 3.01Å |
| 96 | K | 80.1 | Confident | 78.2 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 20% | 0.2 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 177 | -100 | -70.2 | 174.7 | -141.8 | 0 | 113.1 | L60 L87 E91 N92 L93 N94 D98 E99 V100 | L60-K96 HydrophobicContact CD1-CB 4.39Å; L87-K96 HydrophobicContact CD1-CB 3.92Å; L87-K96 HydrophobicContact CD1-CG 3.89Å; E91-K96 WeakPolarHBondContact OE2-CE 3.33Å; E91-K96 WeakPolarHBondContact OE2-CG 3.22Å; E91-K96 IonicContact OE2-NZ 3.92Å; N92-K96 PolarHBondContact O-N 3.24Å; N92-K96 VanDerWaalsContact O-N 3.12Å; L93-K96 PolarHBondContact O-N 3.47Å; N94-K96 VanDerWaalsContact C-N 3.31Å; N94-K96 PolarHBondContact O-N 2.73Å; K96-D98 VanDerWaalsContact C-N 3.35Å; K96-E99 IonicContact NZ-OE2 2.79Å; K96-E99 PolarHBondContact NZ-OE2 2.82Å; K96-E99 WeakPolarHBondContact O-CB 3.16Å; K96-E99 PolarHBondContact O-N 3.45Å; K96-V100 VanDerWaalsContact O-CG2 3.32Å; K96-V100 WeakPolarHBondContact O-CG2 3.31Å; K96-V100 PolarHBondContact O-N 3.3Å |
| 97 | V | 79.6 | Confident | 77.7 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 176.1 | 167.4 | 0 | 0 | 0 | 0 | 110.4 | V14 L31 L60 L93 N94 V100 K101 | V14-V97 HydrophobicContact CB-CG1 4.36Å; V14-V97 HydrophobicContact CG1-CG2 4.32Å; V14-V97 HydrophobicContact CG2-CG1 4.2Å; L31-V97 HydrophobicContact CD1-CG1 4.47Å; L31-V97 HydrophobicContact CD1-CG2 3.75Å; L60-V97 HydrophobicContact CD1-CG2 3.58Å; L93-V97 HydrophobicContact CD2-CG2 3.92Å; L93-V97 WeakPolarHBondContact O-CB 3.41Å; L93-V97 WeakPolarHBondContact O-CG2 3.23Å; L93-V97 PolarHBondContact O-N 3.22Å; N94-V97 PolarHBondContact O-N 2.91Å; V97-V100 PolarHBondContact O-N 3.47Å; V97-K101 HydrophobicContact CG1-CD 3.99Å; V97-K101 HydrophobicContact CG1-CG 4.41Å; V97-K101 WeakPolarHBondContact O-CB 3.37Å; V97-K101 VanDerWaalsContact O-CG 3.26Å; V97-K101 WeakPolarHBondContact O-CG 3.5Å; V97-K101 PolarHBondContact O-N 3.24Å |
| 98 | D | 81.2 | Confident | 77.3 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 37% | 0.369 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69 | -34.6 | 178.1 | -72.4 | -17.4 | 0 | 0 | 0 | 112.3 | N94 T95 K96 K101 S102 | N94-D98 PolarHBondContact O-N 2.92Å; T95-D98 PolarHBondContact O-N 3.25Å; K96-D98 VanDerWaalsContact C-N 3.35Å; D98-K101 PolarHBondContact O-N 3.34Å; D98-K101 IonicContact OD1-NZ 3.68Å; D98-S102 VanDerWaalsContact O-CB 3.23Å; D98-S102 WeakPolarHBondContact O-CB 3.44Å; D98-S102 PolarHBondContact O-N 3.14Å; D98-S102 PolarHBondContact O-OG 3.37Å |
| 99 | E | 80.9 | Confident | 77 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 22% | 0.22 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58 | -50.1 | 168.8 | -80 | -173.5 | 169.7 | 0 | 0 | 111.7 | R3 T95 K96 S102 T103 | R3-E99 IonicContact CZ-OE1 3.8Å; R3-E99 IonicContact NH1-OE1 3.68Å; R3-E99 PolarHBondContact NH1-OE1 3.33Å; R3-E99 IonicContact NH2-OE1 2.99Å; T95-E99 WeakPolarHBondContact O-CB 3.4Å; T95-E99 VanDerWaalsContact O-CG 3.29Å; T95-E99 WeakPolarHBondContact O-CG 3.21Å; T95-E99 PolarHBondContact O-N 3.01Å; K96-E99 IonicContact NZ-OE2 2.79Å; K96-E99 PolarHBondContact NZ-OE2 2.82Å; K96-E99 WeakPolarHBondContact O-CB 3.16Å; K96-E99 PolarHBondContact O-N 3.45Å; E99-S102 PolarHBondContact O-N 3.34Å; E99-T103 VanDerWaalsContact O-CB 3.26Å; E99-T103 WeakPolarHBondContact O-CB 3.26Å; E99-T103 PolarHBondContact O-N 3.18Å; E99-T103 PolarHBondContact O-OG1 2.62Å |
| 100 | V | 81.1 | Confident | 77.1 | Confident | 21 Ų | 21 | 74.6 Ų | 74.6 | 13% | 0.127 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.7 | -41.2 | -178.9 | 170.5 | 0 | 0 | 0 | 0 | 111 | F12 V14 A58 L60 K96 V97 S102 T103 | F12-V100 HydrophobicContact CE1-CG1 4.05Å; V14-V100 HydrophobicContact CG2-CG1 4.31Å; A58-V100 HydrophobicContact CB-CG1 3.47Å; A58-V100 VanDerWaalsContact CB-CG1 3.47Å; L60-V100 HydrophobicContact CD2-CG2 3.88Å; K96-V100 VanDerWaalsContact O-CG2 3.32Å; K96-V100 WeakPolarHBondContact O-CG2 3.31Å; K96-V100 PolarHBondContact O-N 3.3Å; V97-V100 PolarHBondContact O-N 3.47Å; V100-S102 VanDerWaalsContact C-N 3.31Å; V100-S102 PolarHBondContact O-N 3.41Å; V100-T103 PolarHBondContact O-N 2.79Å |
| 101 | K | 79.1 | Confident | 77.3 | Confident | 55 Ų | 55 | 71.2 Ų | 71.2 | 24% | 0.239 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 176.6 | -72 | 170.9 | 179.6 | 167.5 | 0 | 112.5 | L7 F12 V14 V97 D98 T103 | L7-K101 HydrophobicContact CD2-CB 3.22Å; L7-K101 HydrophobicContact CD2-CD 3.98Å; L7-K101 HydrophobicContact CD2-CG 4.26Å; F12-K101 HydrophobicContact CB-CG 4.31Å; F12-K101 HydrophobicContact CD1-CB 4.42Å; F12-K101 HydrophobicContact CD1-CG 3.86Å; F12-K101 HydrophobicContact CG-CG 4.48Å; V14-K101 HydrophobicContact CG2-CG 4.12Å; V97-K101 HydrophobicContact CG1-CD 3.99Å; V97-K101 HydrophobicContact CG1-CG 4.41Å; V97-K101 WeakPolarHBondContact O-CB 3.37Å; V97-K101 VanDerWaalsContact O-CG 3.26Å; V97-K101 WeakPolarHBondContact O-CG 3.5Å; V97-K101 PolarHBondContact O-N 3.24Å; D98-K101 PolarHBondContact O-N 3.34Å; D98-K101 IonicContact OD1-NZ 3.68Å; K101-T103 VanDerWaalsContact C-N 3.32Å |
| 102 | S | 78.6 | Confident | 77.6 | Confident | 9 Ų | 9 | 75.7 Ų | 75.7 | 6% | 0.063 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -82.9 | -13.6 | 178.4 | -52.8 | 0 | 0 | 0 | 0 | 112.6 | L4 L7 D98 E99 V100 | L4-S102 WeakPolarHBondContact CB-O 3.47Å; L4-S102 PolarHBondContact N-O 3.31Å; L4-S102 WeakPolarHBondContact O-CB 3.23Å; L7-S102 VanDerWaalsContact CD2-OG 3.31Å; L7-S102 WeakPolarHBondContact CD2-OG 3.22Å; D98-S102 VanDerWaalsContact O-CB 3.23Å; D98-S102 WeakPolarHBondContact O-CB 3.44Å; D98-S102 PolarHBondContact O-N 3.14Å; D98-S102 PolarHBondContact O-OG 3.37Å; E99-S102 PolarHBondContact O-N 3.34Å; V100-S102 VanDerWaalsContact C-N 3.31Å; V100-S102 PolarHBondContact O-N 3.41Å |
| 103 | T | 80.2 | Confident | 77.8 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 31% | 0.307 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 122.3 | -178.6 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | T1 C2 E99 V100 K101 | T1-T103 HydrophobicContact CG2-CG2 3.93Å; C2-T103 CarbonylContact O-C 3.56Å; C2-T103 WeakPolarHBondContact O-CA 3.48Å; E99-T103 VanDerWaalsContact O-CB 3.26Å; E99-T103 WeakPolarHBondContact O-CB 3.26Å; E99-T103 PolarHBondContact O-N 3.18Å; E99-T103 PolarHBondContact O-OG1 2.62Å; V100-T103 PolarHBondContact O-N 2.79Å; K101-T103 VanDerWaalsContact C-N 3.32Å |
| 104 | I | 78.9 | Confident | 78.2 | Confident | 11 Ų | 11 | 78 Ų | 78 | 6% | 0.056 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 132.2 | 170.1 | -71.1 | 177.7 | 0 | 0 | 0 | 109.9 | T1 C2 L4 P8 F106 V116 A117 | T1-I104 CarbonylContact C-O 3.57Å; T1-I104 WeakPolarHBondContact CA-O 3.31Å; C2-I104 PolarHBondContact N-O 3.22Å; C2-I104 PolarHBondContact O-N 2.91Å; L4-I104 HydrophobicContact CD1-CD1 3.19Å; L4-I104 HydrophobicContact CD1-CG1 4.07Å; L4-I104 HydrophobicContact CD2-CD1 4.08Å; L4-I104 HydrophobicContact CG-CD1 3.55Å; L4-I104 HydrophobicContact CG-CG1 4.13Å; P8-I104 HydrophobicContact CG-CG1 4.47Å; I104-F106 HydrophobicContact CG2-CD2 3.83Å; I104-F106 HydrophobicContact CG2-CE2 3.57Å; I104-F106 HydrophobicContact CG2-CZ 4.1Å; I104-V116 HydrophobicContact CB-CG1 4.3Å; I104-V116 HydrophobicContact CD1-CG1 3.66Å; I104-V116 HydrophobicContact CG1-CG1 4.11Å; I104-V116 HydrophobicContact CG2-CB 4.4Å; I104-V116 HydrophobicContact CG2-CG1 3.28Å; I104-V116 HydrophobicContact CG2-CG2 4.24Å; I104-A117 WeakPolarHBondContact CD1-O 3.47Å |
| 105 | K | 75.7 | Confident | 78.5 | Confident | 125 Ų | 125 | 77.7 Ų | 77.7 | 54% | 0.543 | 41% | 0.407 | S | S | . | . | trans | -104.4 | 104.8 | 172.3 | -169.6 | 172.8 | -179.4 | 177.4 | 0 | 110.6 | T1 Q107 | T1-K105 HydrophobicContact CG2-CB 3.94Å; T1-K105 HydrophobicContact CG2-CD 4.42Å; T1-K105 HydrophobicContact CG2-CG 3.87Å; K105-Q107 PolarHBondContact O-N 3.31Å | ||
| 106 | F | 76.8 | Confident | 78.6 | Confident | 29 Ų | 29 | 76.6 Ų | 76.6 | 13% | 0.127 | 40% | 0.4 | C | S | . | . | trans | -77.3 | 108.1 | 160.2 | -68.7 | -82.4 | 0 | 0 | 0 | 108.4 | I104 V116 A135 F138 L139 L142 | I104-F106 HydrophobicContact CG2-CD2 3.83Å; I104-F106 HydrophobicContact CG2-CE2 3.57Å; I104-F106 HydrophobicContact CG2-CZ 4.1Å; F106-V116 HydrophobicContact CD1-CG2 3.76Å; F106-V116 HydrophobicContact CE1-CB 4.04Å; F106-V116 HydrophobicContact CE1-CG1 4.41Å; F106-V116 HydrophobicContact CE1-CG2 3.46Å; F106-V116 VanDerWaalsContact CE1-CG2 3.46Å; F106-V116 HydrophobicContact CZ-CB 4.26Å; F106-V116 HydrophobicContact CZ-CG1 4.18Å; F106-V116 HydrophobicContact CZ-CG2 4.03Å; F106-A135 HydrophobicContact CE2-CB 4.37Å; F106-A135 HydrophobicContact CZ-CB 4.12Å; F106-F138 AromaticContact CD2-CD1 3.63Å; F106-F138 HydrophobicContact CD2-CD1 3.63Å; F106-F138 AromaticContact CD2-CE1 3.99Å; F106-F138 HydrophobicContact CD2-CE1 3.99Å; F106-F138 HydrophobicContact CE2-CD1 4.12Å; F106-L139 HydrophobicContact CD1-CD1 3.88Å; F106-L139 HydrophobicContact CE1-CB 4.37Å; F106-L139 HydrophobicContact CE1-CD1 4.29Å; F106-L139 HydrophobicContact CE1-CD2 4.45Å; F106-L139 HydrophobicContact CG-CD1 4.39Å; F106-L142 HydrophobicContact CB-CD1 4.29Å | ||
| 107 | Q | 72.4 | Confident | 78.7 | Confident | 92 Ų | 92 | 75.9 Ų | 75.9 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | trans | -105.3 | 107.4 | 170.6 | -173.2 | -178.2 | 5.2 | 0 | 0 | 108.3 | K105 K109 L114 | K105-Q107 PolarHBondContact O-N 3.31Å; Q107-K109 HydrophobicContact CG-CG 4.27Å; Q107-K109 PolarHBondContact O-N 3.2Å; Q107-L114 VanDerWaalsContact O-CD2 3.3Å; Q107-L114 WeakPolarHBondContact O-CD2 3.18Å | ||
| 108 | M | 71.4 | Confident | 78.8 | Confident | 99 Ų | 99 | 77.2 Ų | 77.2 | 49% | 0.488 | 41% | 0.411 | S | S | . | . | trans | -64.2 | 120.4 | 167.7 | -69.3 | -158 | -125.8 | 0 | 0 | 108.9 | L114 L142 L143 | M108-L114 HydrophobicContact CG-CD1 4.45Å; M108-L142 HydrophobicContact CE-CB 3.51Å; M108-L142 VanDerWaalsContact CE-O 3.26Å; M108-L142 WeakPolarHBondContact CE-O 3.48Å; M108-L143 HydrophobicContact CE-CD2 3.97Å; M108-L143 HydrophobicContact SD-CD2 3.92Å | ||
| 109 | K | 72.8 | Confident | 78.9 | Confident | 136 Ų | 136 | 75.2 Ų | 75.2 | 59% | 0.591 | 41% | 0.407 | S | S | * | . | trans | -113.6 | -178.3 | 169.6 | -70.4 | -177.2 | 179.4 | 179 | 0 | 107.8 | Q107 V111 | Q107-K109 HydrophobicContact CG-CG 4.27Å; Q107-K109 PolarHBondContact O-N 3.2Å; K109-V111 HydrophobicContact CB-CG2 3.67Å; K109-V111 PolarHBondContact O-N 2.88Å | ||
| 110 | K | 75.6 | Confident | 79 | Confident | 226 Ų | 226 | 75.6 Ų | 75.6 | 98% | 0.983 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -68.5 | 23.2 | 172.1 | -63.1 | -173 | 177.7 | -174.8 | 0 | 113.9 | ||
| 111 | V | 75.3 | Confident | 78.7 | Confident | 91 Ų | 91 | 81.8 Ų | 81.8 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | trans | -115.7 | 140 | 178.9 | -108.3 | 0 | 0 | 0 | 0 | 109.1 | K109 | K109-V111 HydrophobicContact CB-CG2 3.67Å; K109-V111 PolarHBondContact O-N 2.88Å | ||
| 112 | L | 78.4 | Confident | 78.8 | Confident | 182 Ų | 182 | 88.3 Ų | 88.3 | 95% | 0.953 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -78.9 | -23.1 | -176.5 | -64.5 | 164.7 | 0 | 0 | 0 | 112.8 | ||
| 113 | C | 80.3 | Confident | 79 | Confident | 112 Ų | 112 | 88.8 Ų | 88.8 | 76% | 0.757 | 48% | 0.476 | S | S | * | . | trans | -107.6 | 127.7 | -179.8 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 114 | L | 83.6 | Confident | 79.4 | Confident | 69 Ų | 69 | 90.2 Ų | 90.2 | 36% | 0.361 | 49% | 0.485 | S | S | . | . | trans | -116.6 | 133.3 | 172.7 | -64.4 | 171 | 0 | 0 | 0 | 108.5 | Q107 M108 L139 | Q107-L114 VanDerWaalsContact O-CD2 3.3Å; Q107-L114 WeakPolarHBondContact O-CD2 3.18Å; M108-L114 HydrophobicContact CG-CD1 4.45Å; L114-L139 HydrophobicContact CD1-CD1 4.21Å | ||
| 115 | A | 84.2 | Confident | 79.7 | Confident | 89 Ų | 89 | 97.4 Ų | 97.4 | 74% | 0.736 | 52% | 0.518 | S | S | * | . | trans | -117.5 | 128.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 116 | V | 83.8 | Confident | 80.2 | Confident | 48 Ų | 48 | 98 Ų | 98 | 29% | 0.291 | 53% | 0.527 | S | S | . | . | trans | -136.1 | 145.2 | -175.9 | 168.1 | 0 | 0 | 0 | 0 | 109.1 | I104 F106 V118 | I104-V116 HydrophobicContact CB-CG1 4.3Å; I104-V116 HydrophobicContact CD1-CG1 3.66Å; I104-V116 HydrophobicContact CG1-CG1 4.11Å; I104-V116 HydrophobicContact CG2-CB 4.4Å; I104-V116 HydrophobicContact CG2-CG1 3.28Å; I104-V116 HydrophobicContact CG2-CG2 4.24Å; F106-V116 HydrophobicContact CD1-CG2 3.76Å; F106-V116 HydrophobicContact CE1-CB 4.04Å; F106-V116 HydrophobicContact CE1-CG1 4.41Å; F106-V116 HydrophobicContact CE1-CG2 3.46Å; F106-V116 VanDerWaalsContact CE1-CG2 3.46Å; F106-V116 HydrophobicContact CZ-CB 4.26Å; F106-V116 HydrophobicContact CZ-CG1 4.18Å; F106-V116 HydrophobicContact CZ-CG2 4.03Å; V116-V118 HydrophobicContact CG1-CG2 4.17Å | ||
| 117 | A | 83.3 | Confident | 80.6 | Confident | 31 Ų | 31 | 100.5 Ų | 100.5 | 26% | 0.256 | 54% | 0.539 | S | S | . | . | trans | -91.6 | 125.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109 | R9 I104 | R9-A117 HydrophobicContact CG-CB 4.08Å; I104-A117 WeakPolarHBondContact CD1-O 3.47Å | ||
| 118 | V | 81.4 | Confident | 81.2 | Confident | 30 Ų | 30 | 98.5 Ų | 98.5 | 18% | 0.182 | 53% | 0.531 | C | S | . | . | trans | -114.8 | -9.3 | -171.8 | -170.6 | 0 | 0 | 0 | 0 | 112 | L4 V116 N131 I132 A135 | L4-V118 HydrophobicContact CD1-CG1 4.22Å; V116-V118 HydrophobicContact CG1-CG2 4.17Å; V118-N131 VanDerWaalsContact CG1-C 3.43Å; V118-N131 HydrophobicContact CG1-CB 3.65Å; V118-N131 WeakPolarHBondContact CG1-O 3.45Å; V118-N131 PolarHBondContact O-ND2 3.42Å; V118-I132 HydrophobicContact CG1-CG1 3.94Å; V118-A135 HydrophobicContact CG1-CB 4.17Å; V118-A135 HydrophobicContact CG2-CB 4.3Å | ||
| 119 | G | 82.8 | Confident | 81.9 | Confident | 28 Ų | 28 | 97.3 Ų | 97.3 | 29% | 0.289 | 53% | 0.53 | S | S | . | . | trans | -177.9 | -179.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 120 | H | 82.5 | Confident | 82.6 | Confident | 55 Ų | 55 | 96.7 Ų | 96.7 | 26% | 0.255 | 52% | 0.524 | S | S | . | . | trans | -136.4 | 163.8 | 176.5 | 65.5 | -83.8 | 0 | 0 | 0 | 110.7 | L7 K122 M123 | L7-H120 PolarHBondContact O-CE1 3.24Å; L7-H120 PolarHBondContact O-ND1 3.5Å; H120-K122 PolarHBondContact CD2-N 3.46Å; H120-K122 PolarHBondContact O-N 3.03Å; H120-K122 VanDerWaalsContact O-N 3.08Å; H120-M123 WeakPolarHBondContact ND1-CE 3.31Å; H120-M123 WeakPolarHBondContact O-CB 3.18Å; H120-M123 PolarHBondContact O-N 2.79Å; H120-M123 VanDerWaalsContact O-N 3.1Å | ||
| 121 | V | 76.3 | Confident | 83.2 | Confident | 150 Ų | 150 | 86 Ų | 86 | 91% | 0.909 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19 | -170.2 | -175.4 | 0 | 0 | 0 | 0 | 114.2 | M123 | V121-M123 VanDerWaalsContact C-N 3.32Š|
| 122 | K | 80.8 | Confident | 83.7 | Confident | 193 Ų | 193 | 83.6 Ų | 83.6 | 84% | 0.839 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -1.8 | 179.2 | -51 | -178.8 | 175.4 | -172.8 | 0 | 113.7 | H120 | H120-K122 PolarHBondContact CD2-N 3.46Å; H120-K122 PolarHBondContact O-N 3.03Å; H120-K122 VanDerWaalsContact O-N 3.08Å |
| 123 | M | 82.3 | Confident | 84.1 | Confident | 18 Ų | 18 | 80.2 Ų | 80.2 | 9% | 0.089 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -80.7 | 152.7 | 173.8 | -69.4 | 179 | 167.1 | 0 | 0 | 110.8 | T6 L7 H120 V121 L128 | T6-M123 VanDerWaalsContact CB-CE 3.46Å; T6-M123 WeakPolarHBondContact OG1-CE 3.34Å; L7-M123 VanDerWaalsContact C-CE 3.49Å; L7-M123 WeakPolarHBondContact O-CE 3.47Å; H120-M123 WeakPolarHBondContact ND1-CE 3.31Å; H120-M123 WeakPolarHBondContact O-CB 3.18Å; H120-M123 PolarHBondContact O-N 2.79Å; H120-M123 VanDerWaalsContact O-N 3.1Å; V121-M123 VanDerWaalsContact C-N 3.32Å; M123-L128 HydrophobicContact CB-CD1 4.39Å; M123-L128 HydrophobicContact CB-CD2 4.13Å; M123-L128 HydrophobicContact CB-CG 3.91Å; M123-L128 HydrophobicContact SD-CD2 3.97Å |
| 124 | T | 88.2 | Confident | 84.5 | Confident | 80 Ų | 80 | 77.1 Ų | 77.1 | 49% | 0.491 | 42% | 0.416 | S | S | . | . | trans | -73.4 | 159.5 | 170.9 | 60.5 | 0 | 0 | 0 | 0 | 111 | D126 E127 L128 | T124-D126 VanDerWaalsContact C-N 3.31Å; T124-D126 PolarHBondContact O-N 2.88Å; T124-E127 PolarHBondContact O-N 2.77Å; T124-E127 VanDerWaalsContact OG1-CG 3.31Å; T124-E127 WeakPolarHBondContact OG1-CG 3.48Å; T124-L128 WeakPolarHBondContact O-CG 3.22Å; T124-L128 PolarHBondContact O-N 2.9Å; T124-L128 VanDerWaalsContact O-N 3.14Å | ||
| 125 | E | 85 | Confident | 84.6 | Confident | 163 Ų | 163 | 74 Ų | 74 | 76% | 0.762 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.7 | -40.7 | -179 | -63.5 | -177.2 | 173.1 | 0 | 0 | 111.8 | E127 L128 V129 | E125-E127 PolarHBondContact O-N 3.3Å; E125-L128 WeakPolarHBondContact O-CB 3.44Å; E125-L128 PolarHBondContact O-N 3.37Å; E125-V129 WeakPolarHBondContact O-CG2 3.17Å; E125-V129 PolarHBondContact O-N 3Å |
| 126 | D | 86.9 | Confident | 84.8 | Confident | 137 Ų | 137 | 71 Ų | 71 | 73% | 0.733 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 178.9 | -64.4 | -33.7 | 0 | 0 | 0 | 112.7 | T124 L128 V129 Y130 | T124-D126 VanDerWaalsContact C-N 3.31Å; T124-D126 PolarHBondContact O-N 2.88Å; D126-L128 VanDerWaalsContact C-N 3.33Å; D126-L128 PolarHBondContact O-N 2.93Å; D126-V129 PolarHBondContact O-N 3.21Å; D126-Y130 WeakPolarHBondContact O-CB 3.41Å; D126-Y130 PolarHBondContact O-N 2.9Å |
| 127 | E | 85.1 | Confident | 85 | Confident | 81 Ų | 81 | 73 Ų | 73 | 38% | 0.379 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 176.8 | -72.6 | -179 | 168.3 | 0 | 0 | 111.8 | T6 T124 E125 N131 | T6-E127 HydrophobicContact CG2-CG 4.22Å; T124-E127 PolarHBondContact O-N 2.77Å; T124-E127 VanDerWaalsContact OG1-CG 3.31Å; T124-E127 WeakPolarHBondContact OG1-CG 3.48Å; E125-E127 PolarHBondContact O-N 3.3Å; E127-N131 WeakPolarHBondContact O-CB 3.33Å; E127-N131 PolarHBondContact O-N 3.5Å |
| 128 | L | 84.8 | Confident | 85.1 | Confident | 50 Ų | 50 | 73.9 Ų | 73.9 | 26% | 0.262 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.9 | -48.6 | 177 | -74.2 | 168.2 | 0 | 0 | 0 | 111 | M123 T124 E125 D126 Y130 N131 I132 | M123-L128 HydrophobicContact CB-CD1 4.39Å; M123-L128 HydrophobicContact CB-CD2 4.13Å; M123-L128 HydrophobicContact CB-CG 3.91Å; M123-L128 HydrophobicContact SD-CD2 3.97Å; T124-L128 WeakPolarHBondContact O-CG 3.22Å; T124-L128 PolarHBondContact O-N 2.9Å; T124-L128 VanDerWaalsContact O-N 3.14Å; E125-L128 WeakPolarHBondContact O-CB 3.44Å; E125-L128 PolarHBondContact O-N 3.37Å; D126-L128 VanDerWaalsContact C-N 3.33Å; D126-L128 PolarHBondContact O-N 2.93Å; L128-Y130 VanDerWaalsContact C-N 3.32Å; L128-Y130 PolarHBondContact O-N 3.29Å; L128-N131 PolarHBondContact O-N 3.44Å; L128-I132 WeakPolarHBondContact O-CB 3.42Å; L128-I132 WeakPolarHBondContact O-CD1 3.26Å; L128-I132 WeakPolarHBondContact O-CG1 3.37Å; L128-I132 PolarHBondContact O-N 2.98Å |
| 129 | V | 86.9 | Confident | 85.3 | Confident | 75 Ų | 75 | 73.9 Ų | 73.9 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 178.1 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | E125 D126 N131 I132 H133 | E125-V129 WeakPolarHBondContact O-CG2 3.17Å; E125-V129 PolarHBondContact O-N 3Å; D126-V129 PolarHBondContact O-N 3.21Å; V129-N131 PolarHBondContact O-N 2.93Å; V129-I132 PolarHBondContact O-N 3.26Å; V129-H133 PolarHBondContact O-CD2 3.46Å; V129-H133 PolarHBondContact O-N 3.46Å |
| 130 | Y | 87.6 | Confident | 85.4 | Confident | 122 Ų | 122 | 73 Ų | 73 | 48% | 0.478 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 177.2 | -176.5 | -98 | 0 | 0 | 0 | 112.3 | K5 D126 L128 I132 H133 L134 | K5-Y130 HydrophobicContact CB-CD1 4.35Å; K5-Y130 HydrophobicContact CB-CE1 4.03Å; K5-Y130 HydrophobicContact CD-CE1 4.21Å; D126-Y130 WeakPolarHBondContact O-CB 3.41Å; D126-Y130 PolarHBondContact O-N 2.9Å; L128-Y130 VanDerWaalsContact C-N 3.32Å; L128-Y130 PolarHBondContact O-N 3.29Å; Y130-I132 VanDerWaalsContact C-N 3.33Å; Y130-I132 PolarHBondContact O-N 2.98Å; Y130-H133 PolarHBondContact O-N 3.2Å; Y130-L134 HydrophobicContact CE1-CD1 4.04Å; Y130-L134 WeakPolarHBondContact O-CB 3.41Å; Y130-L134 PolarHBondContact O-N 3.43Å |
| 131 | N | 86.9 | Confident | 85.6 | Confident | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 178.5 | -76.8 | -15 | 0 | 0 | 0 | 112.3 | L4 T6 V118 E127 L128 V129 A135 | L4-N131 HydrophobicContact CD1-CB 4.03Å; L4-N131 HydrophobicContact CD2-CB 4.1Å; T6-N131 PolarHBondContact OG1-ND2 2.87Å; V118-N131 VanDerWaalsContact CG1-C 3.43Å; V118-N131 HydrophobicContact CG1-CB 3.65Å; V118-N131 WeakPolarHBondContact CG1-O 3.45Å; V118-N131 PolarHBondContact O-ND2 3.42Å; E127-N131 WeakPolarHBondContact O-CB 3.33Å; E127-N131 PolarHBondContact O-N 3.5Å; L128-N131 PolarHBondContact O-N 3.44Å; V129-N131 PolarHBondContact O-N 2.93Å; N131-A135 VanDerWaalsContact O-CB 3.22Å; N131-A135 WeakPolarHBondContact O-CB 3.37Å; N131-A135 PolarHBondContact O-N 2.94Å |
| 132 | I | 87 | Confident | 85.9 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 176.5 | -69.9 | 160.3 | 0 | 0 | 0 | 110.2 | V118 L128 V129 Y130 L134 A135 V136 I155 L165 | V118-I132 HydrophobicContact CG1-CG1 3.94Å; L128-I132 WeakPolarHBondContact O-CB 3.42Å; L128-I132 WeakPolarHBondContact O-CD1 3.26Å; L128-I132 WeakPolarHBondContact O-CG1 3.37Å; L128-I132 PolarHBondContact O-N 2.98Å; V129-I132 PolarHBondContact O-N 3.26Å; Y130-I132 VanDerWaalsContact C-N 3.33Å; Y130-I132 PolarHBondContact O-N 2.98Å; I132-L134 VanDerWaalsContact C-N 3.33Å; I132-L134 PolarHBondContact O-N 3.46Å; I132-A135 PolarHBondContact O-N 2.78Å; I132-V136 HydrophobicContact CG2-CG2 4.32Å; I132-V136 WeakPolarHBondContact O-CB 3.45Å; I132-V136 VanDerWaalsContact O-CG2 3.29Å; I132-V136 WeakPolarHBondContact O-CG2 3.47Å; I132-V136 PolarHBondContact O-N 2.83Å; I132-I155 HydrophobicContact CD1-CD1 3.74Å; I132-I155 HydrophobicContact CG1-CD1 4.3Å; I132-I155 HydrophobicContact CG2-CD1 4.01Å; I132-L165 HydrophobicContact CG2-CD1 4.45Å |
| 133 | H | 87.5 | Confident | 86 | Confident | 111 Ų | 111 | 62.6 Ų | 62.6 | 51% | 0.514 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 177.5 | -82.9 | -68.3 | 0 | 0 | 0 | 111.8 | V129 Y130 A135 V136 N137 | V129-H133 PolarHBondContact O-CD2 3.46Å; V129-H133 PolarHBondContact O-N 3.46Å; Y130-H133 PolarHBondContact O-N 3.2Å; H133-A135 PolarHBondContact O-N 3.42Å; H133-V136 PolarHBondContact O-N 3.3Å; H133-N137 VanDerWaalsContact O-CB 3.28Å; H133-N137 WeakPolarHBondContact O-CB 3.34Å; H133-N137 PolarHBondContact O-N 3.37Å; H133-N137 PolarHBondContact O-ND2 3.49Å |
| 134 | L | 87.8 | Confident | 86.1 | Confident | 46 Ų | 46 | 72 Ų | 72 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | -179.9 | -164.5 | 120.6 | 0 | 0 | 0 | 111.7 | C2 R3 L4 Y130 I132 F138 | C2-L134 WeakPolarHBondContact SG-CD2 3.3Å; R3-L134 VanDerWaalsContact O-CD2 3.31Å; R3-L134 WeakPolarHBondContact O-CD2 3.47Å; L4-L134 HydrophobicContact CD2-CD2 3.68Å; Y130-L134 HydrophobicContact CE1-CD1 4.04Å; Y130-L134 WeakPolarHBondContact O-CB 3.41Å; Y130-L134 PolarHBondContact O-N 3.43Å; I132-L134 VanDerWaalsContact C-N 3.33Å; I132-L134 PolarHBondContact O-N 3.46Å; L134-F138 WeakPolarHBondContact O-CB 3.28Å; L134-F138 PolarHBondContact O-N 3.32Å |
| 135 | A | 86.3 | Confident | 86 | Confident | 4 Ų | 4 | 74.7 Ų | 74.7 | 3% | 0.033 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F106 V118 N131 I132 H133 L139 | F106-A135 HydrophobicContact CE2-CB 4.37Å; F106-A135 HydrophobicContact CZ-CB 4.12Å; V118-A135 HydrophobicContact CG1-CB 4.17Å; V118-A135 HydrophobicContact CG2-CB 4.3Å; N131-A135 VanDerWaalsContact O-CB 3.22Å; N131-A135 WeakPolarHBondContact O-CB 3.37Å; N131-A135 PolarHBondContact O-N 2.94Å; I132-A135 PolarHBondContact O-N 2.78Å; H133-A135 PolarHBondContact O-N 3.42Å; A135-L139 WeakPolarHBondContact O-CB 3.29Å; A135-L139 PolarHBondContact O-N 2.9Å |
| 136 | V | 87.6 | Confident | 86.1 | Confident | 27 Ų | 27 | 71 Ų | 71 | 16% | 0.164 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.9 | -47.3 | 178.2 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | I132 H133 F138 L139 V140 W147 L153 | I132-V136 HydrophobicContact CG2-CG2 4.32Å; I132-V136 WeakPolarHBondContact O-CB 3.45Å; I132-V136 VanDerWaalsContact O-CG2 3.29Å; I132-V136 WeakPolarHBondContact O-CG2 3.47Å; I132-V136 PolarHBondContact O-N 2.83Å; H133-V136 PolarHBondContact O-N 3.3Å; V136-F138 VanDerWaalsContact C-N 3.32Å; V136-F138 PolarHBondContact O-N 3.39Å; V136-L139 PolarHBondContact O-N 3.49Å; V136-L139 VanDerWaalsContact O-N 3.12Å; V136-V140 HydrophobicContact CG1-CG2 4.32Å; V136-V140 VanDerWaalsContact O-CG2 3.32Å; V136-V140 WeakPolarHBondContact O-CG2 3.36Å; V136-V140 PolarHBondContact O-N 3.04Å; V136-W147 HydrophobicContact CG1-CH2 3.58Å; V136-W147 HydrophobicContact CG1-CZ2 4.01Å; V136-W147 HydrophobicContact CG1-CZ3 4.46Å; V136-L153 HydrophobicContact CG1-CD1 3.72Å; V136-L153 HydrophobicContact CG2-CD1 4.21Å |
| 137 | N | 88.1 | Confident | 86.1 | Confident | 90 Ų | 90 | 69.7 Ų | 69.7 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 179.5 | -72.1 | -16.1 | 0 | 0 | 0 | 111.5 | H133 L139 V140 S141 | H133-N137 VanDerWaalsContact O-CB 3.28Å; H133-N137 WeakPolarHBondContact O-CB 3.34Å; H133-N137 PolarHBondContact O-N 3.37Å; H133-N137 PolarHBondContact O-ND2 3.49Å; N137-L139 PolarHBondContact O-N 2.92Å; N137-V140 PolarHBondContact O-N 3.38Å; N137-S141 PolarHBondContact O-N 3.45Å; N137-S141 PolarHBondContact O-OG 3.12Å |
| 138 | F | 86.3 | Confident | 86.1 | Confident | 48 Ų | 48 | 73.8 Ų | 73.8 | 21% | 0.211 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65 | -37.4 | 175.7 | -176.5 | -96.3 | 0 | 0 | 0 | 112.8 | T1 C2 F106 L134 V136 S141 L142 | T1-F138 WeakPolarHBondContact O-CZ 3.18Å; C2-F138 HydrophobicContact CB-CB 4.09Å; C2-F138 HydrophobicContact CB-CD1 3.61Å; C2-F138 HydrophobicContact CB-CD2 4Å; C2-F138 HydrophobicContact CB-CE1 4.01Å; C2-F138 HydrophobicContact CB-CE2 4.38Å; C2-F138 HydrophobicContact CB-CG 3.6Å; C2-F138 HydrophobicContact CB-CZ 4.4Å; F106-F138 AromaticContact CD2-CD1 3.63Å; F106-F138 HydrophobicContact CD2-CD1 3.63Å; F106-F138 AromaticContact CD2-CE1 3.99Å; F106-F138 HydrophobicContact CD2-CE1 3.99Å; F106-F138 HydrophobicContact CE2-CD1 4.12Å; L134-F138 WeakPolarHBondContact O-CB 3.28Å; L134-F138 PolarHBondContact O-N 3.32Å; V136-F138 VanDerWaalsContact C-N 3.32Å; V136-F138 PolarHBondContact O-N 3.39Å; F138-S141 PolarHBondContact O-OG 2.89Å; F138-L142 HydrophobicContact CD1-CD1 4.04Å; F138-L142 HydrophobicContact CE1-CD1 3.54Å; F138-L142 HydrophobicContact CE1-CG 4.25Å; F138-L142 HydrophobicContact CZ-CD1 4.05Å; F138-L142 HydrophobicContact CZ-CD2 4.34Å; F138-L142 HydrophobicContact CZ-CG 4.38Å; F138-L142 WeakPolarHBondContact O-CG 3.33Å; F138-L142 PolarHBondContact O-N 3.06Å |
| 139 | L | 83.9 | Confident | 86.1 | Confident | 31 Ų | 31 | 76.2 Ų | 76.2 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 176.1 | 178.3 | 64.3 | 0 | 0 | 0 | 111.1 | F106 L114 A135 V136 N137 S141 L142 | F106-L139 HydrophobicContact CD1-CD1 3.88Å; F106-L139 HydrophobicContact CE1-CB 4.37Å; F106-L139 HydrophobicContact CE1-CD1 4.29Å; F106-L139 HydrophobicContact CE1-CD2 4.45Å; F106-L139 HydrophobicContact CG-CD1 4.39Å; L114-L139 HydrophobicContact CD1-CD1 4.21Å; A135-L139 WeakPolarHBondContact O-CB 3.29Å; A135-L139 PolarHBondContact O-N 2.9Å; V136-L139 PolarHBondContact O-N 3.49Å; V136-L139 VanDerWaalsContact O-N 3.12Å; N137-L139 PolarHBondContact O-N 2.92Å; L139-S141 VanDerWaalsContact C-N 3.34Å; L139-S141 PolarHBondContact O-N 2.86Å; L139-L142 PolarHBondContact O-N 2.85Å |
| 140 | V | 85.5 | Confident | 86 | Confident | 10 Ų | 10 | 73.3 Ų | 73.3 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 180 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | V136 N137 L142 L143 N146 W147 V150 | V136-V140 HydrophobicContact CG1-CG2 4.32Å; V136-V140 VanDerWaalsContact O-CG2 3.32Å; V136-V140 WeakPolarHBondContact O-CG2 3.36Å; V136-V140 PolarHBondContact O-N 3.04Å; N137-V140 PolarHBondContact O-N 3.38Å; V140-L142 PolarHBondContact O-N 3.39Å; V140-L142 VanDerWaalsContact O-N 3.17Å; V140-L143 PolarHBondContact O-N 3.22Å; V140-N146 HydrophobicContact CG1-CB 3.65Å; V140-N146 PolarHBondContact O-OD1 2.93Å; V140-W147 HydrophobicContact CG1-CD2 4.35Å; V140-W147 HydrophobicContact CG1-CG 4.08Å; V140-W147 HydrophobicContact CG2-CD2 4Å; V140-W147 HydrophobicContact CG2-CE3 4.33Å; V140-W147 HydrophobicContact CG2-CH2 4.33Å; V140-W147 HydrophobicContact CG2-CZ2 3.99Å; V140-W147 HydrophobicContact CG2-CZ3 4.5Å; V140-V150 HydrophobicContact CG2-CG2 4.21Å |
| 141 | S | 86.7 | Confident | 85.9 | Confident | 77 Ų | 77 | 78.6 Ų | 78.6 | 54% | 0.538 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.7 | -19.5 | -179.8 | 67.1 | 0 | 0 | 0 | 0 | 114 | N137 F138 L139 | N137-S141 PolarHBondContact O-N 3.45Å; N137-S141 PolarHBondContact O-OG 3.12Å; F138-S141 PolarHBondContact O-OG 2.89Å; L139-S141 VanDerWaalsContact C-N 3.34Å; L139-S141 PolarHBondContact O-N 2.86Å |
| 142 | L | 82.9 | Confident | 85.9 | Confident | 74 Ų | 74 | 79.9 Ų | 79.9 | 39% | 0.387 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -16.7 | 175.8 | -67.1 | 171.8 | 0 | 0 | 0 | 112.8 | F106 M108 F138 L139 V140 | F106-L142 HydrophobicContact CB-CD1 4.29Å; M108-L142 HydrophobicContact CE-CB 3.51Å; M108-L142 VanDerWaalsContact CE-O 3.26Å; M108-L142 WeakPolarHBondContact CE-O 3.48Å; F138-L142 HydrophobicContact CD1-CD1 4.04Å; F138-L142 HydrophobicContact CE1-CD1 3.54Å; F138-L142 HydrophobicContact CE1-CG 4.25Å; F138-L142 HydrophobicContact CZ-CD1 4.05Å; F138-L142 HydrophobicContact CZ-CD2 4.34Å; F138-L142 HydrophobicContact CZ-CG 4.38Å; F138-L142 WeakPolarHBondContact O-CG 3.33Å; F138-L142 PolarHBondContact O-N 3.06Å; L139-L142 PolarHBondContact O-N 2.85Å; V140-L142 PolarHBondContact O-N 3.39Å; V140-L142 VanDerWaalsContact O-N 3.17Å |
| 143 | L | 83.1 | Confident | 86 | Confident | 28 Ų | 28 | 79.2 Ų | 79.2 | 15% | 0.147 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -92 | 130.8 | -175.5 | -60.4 | 170.5 | 0 | 0 | 0 | 110.5 | M108 V140 K145 N146 N149 V150 | M108-L143 HydrophobicContact CE-CD2 3.97Å; M108-L143 HydrophobicContact SD-CD2 3.92Å; V140-L143 PolarHBondContact O-N 3.22Å; L143-K145 PolarHBondContact O-N 3.47Å; L143-N146 PolarHBondContact O-N 3.44Å; L143-N146 PolarHBondContact O-OD1 3.17Å; L143-N149 HydrophobicContact CB-CB 4.29Å; L143-N149 HydrophobicContact CD1-CB 4.26Å; L143-V150 HydrophobicContact CD1-CG2 3.7Å |
| 144 | K | 83.6 | Confident | 86.1 | Confident | 216 Ų | 216 | 81 Ų | 81 | 94% | 0.939 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -20.9 | -177 | -68.7 | -173.7 | 176.8 | -174.9 | 0 | 115.6 | ||
| 145 | K | 86.9 | Confident | 86.2 | Confident | 135 Ų | 135 | 81.5 Ų | 81.5 | 59% | 0.587 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | 18.6 | 176.9 | -59.2 | -173.1 | 175.3 | -174.4 | 0 | 112.9 | L143 W147 Q148 N149 | L143-K145 PolarHBondContact O-N 3.47Å; K145-W147 PolarHBondContact O-N 3.37Å; K145-Q148 HydrophobicContact CB-CB 4.14Å; K145-Q148 WeakPolarHBondContact O-CB 3.47Å; K145-Q148 PolarHBondContact O-N 3.08Å; K145-Q148 VanDerWaalsContact O-N 3.07Å; K145-N149 HydrophobicContact CB-CB 4.36Å |
| 146 | N | 87.1 | Confident | 86.3 | Confident | 87 Ų | 87 | 88.7 Ų | 88.7 | 47% | 0.465 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | 47.5 | -124.6 | 179.7 | -60.4 | -28.2 | 0 | 0 | 0 | 111.7 | V140 L143 Q148 N149 | V140-N146 HydrophobicContact CG1-CB 3.65Å; V140-N146 PolarHBondContact O-OD1 2.93Å; L143-N146 PolarHBondContact O-N 3.44Å; L143-N146 PolarHBondContact O-OD1 3.17Å; N146-Q148 VanDerWaalsContact C-N 3.32Å; N146-Q148 PolarHBondContact O-N 3.01Å; N146-N149 PolarHBondContact O-N 3.03Å |
| 147 | W | 86.7 | Confident | 86.1 | Confident | 108 Ų | 108 | 91.1 Ų | 91.1 | 41% | 0.409 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -63.2 | -28.5 | -177.8 | -74.8 | 103.1 | 0 | 0 | 0 | 114.5 | V136 V140 K145 N149 V150 L153 Y166 | V136-W147 HydrophobicContact CG1-CH2 3.58Å; V136-W147 HydrophobicContact CG1-CZ2 4.01Å; V136-W147 HydrophobicContact CG1-CZ3 4.46Å; V140-W147 HydrophobicContact CG1-CD2 4.35Å; V140-W147 HydrophobicContact CG1-CG 4.08Å; V140-W147 HydrophobicContact CG2-CD2 4Å; V140-W147 HydrophobicContact CG2-CE3 4.33Å; V140-W147 HydrophobicContact CG2-CH2 4.33Å; V140-W147 HydrophobicContact CG2-CZ2 3.99Å; V140-W147 HydrophobicContact CG2-CZ3 4.5Å; K145-W147 PolarHBondContact O-N 3.37Å; W147-N149 PolarHBondContact O-N 2.74Å; W147-N149 VanDerWaalsContact O-N 3.16Å; W147-V150 HydrophobicContact CE3-CB 4.46Å; W147-V150 PolarHBondContact O-N 2.87Å; W147-L153 HydrophobicContact CH2-CD1 4Å; W147-L153 HydrophobicContact CZ3-CD1 3.75Å; W147-Y166 HydrophobicContact CE3-CD1 4.47Å; W147-Y166 HydrophobicContact CE3-CE1 4.36Å; W147-Y166 HydrophobicContact CZ3-CD1 4.42Å; W147-Y166 HydrophobicContact CZ3-CG 4.38Å |
| 148 | Q | 84.6 | Confident | 85.9 | Confident | 168 Ų | 168 | 93.8 Ų | 93.8 | 79% | 0.785 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -65.1 | -21.4 | 178.4 | -63 | 179.7 | -7.1 | 0 | 0 | 112.5 | K145 N146 | K145-Q148 HydrophobicContact CB-CB 4.14Å; K145-Q148 WeakPolarHBondContact O-CB 3.47Å; K145-Q148 PolarHBondContact O-N 3.08Å; K145-Q148 VanDerWaalsContact O-N 3.07Å; N146-Q148 VanDerWaalsContact C-N 3.32Å; N146-Q148 PolarHBondContact O-N 3.01Å |
| 149 | N | 84.4 | Confident | 85.8 | Confident | 100 Ų | 100 | 100.2 Ų | 100.2 | 54% | 0.535 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -92.2 | -2.2 | 177.2 | -154.5 | 36.6 | 0 | 0 | 0 | 112.8 | L143 K145 N146 W147 | L143-N149 HydrophobicContact CB-CB 4.29Å; L143-N149 HydrophobicContact CD1-CB 4.26Å; K145-N149 HydrophobicContact CB-CB 4.36Å; N146-N149 PolarHBondContact O-N 3.03Å; W147-N149 PolarHBondContact O-N 2.74Å; W147-N149 VanDerWaalsContact O-N 3.16Å |
| 150 | V | 84.8 | Confident | 85.8 | Confident | 15 Ų | 15 | 100.5 Ų | 100.5 | 9% | 0.091 | 50% | 0.498 | C | S | . | . | trans | -100.6 | 109.9 | 176.8 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | V140 L143 W147 L153 Y166 | V140-V150 HydrophobicContact CG2-CG2 4.21Å; L143-V150 HydrophobicContact CD1-CG2 3.7Å; W147-V150 HydrophobicContact CE3-CB 4.46Å; W147-V150 PolarHBondContact O-N 2.87Å; V150-L153 HydrophobicContact CG1-CD1 4.33Å; V150-L153 HydrophobicContact CG1-CD2 3.78Å; V150-L153 HydrophobicContact CG1-CG 3.75Å; V150-Y166 HydrophobicContact CG1-CD1 4.24Å; V150-Y166 WeakPolarHBondContact O-CE1 3.47Å | ||
| 151 | R | 85.6 | Confident | 85.8 | Confident | 233 Ų | 233 | 109 Ų | 109 | 88% | 0.879 | 53% | 0.534 | S | S | * | . | trans | -79.8 | -41.2 | 178.4 | -177.5 | 177.5 | 178.6 | -174.7 | 0.9 | 112.6 | ||||
| 152 | A | 87.6 | Confident | 85.8 | Confident | 27 Ų | 27 | 109.6 Ų | 109.6 | 22% | 0.223 | 54% | 0.536 | C | S | . | . | trans | -157.1 | 150 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | Y154 Y166 | A152-Y154 HydrophobicContact CB-CD2 4.36Å; A152-Y154 HydrophobicContact CB-CE2 3.54Å; A152-Y166 CarbonylContact C-O 3.59Å; A152-Y166 WeakPolarHBondContact CA-O 3.26Å; A152-Y166 VanDerWaalsContact CB-O 3.26Å; A152-Y166 WeakPolarHBondContact CB-O 3.02Å | ||
| 153 | L | 89.2 | Confident | 86 | Confident | 28 Ų | 28 | 112.6 Ų | 112.6 | 15% | 0.147 | 55% | 0.548 | C | S | . | . | trans | -120.7 | 128.4 | 173.3 | -67.7 | 175 | 0 | 0 | 0 | 109.6 | V136 W147 V150 R164 L165 Y166 | V136-L153 HydrophobicContact CG1-CD1 3.72Å; V136-L153 HydrophobicContact CG2-CD1 4.21Å; W147-L153 HydrophobicContact CH2-CD1 4Å; W147-L153 HydrophobicContact CZ3-CD1 3.75Å; V150-L153 HydrophobicContact CG1-CD1 4.33Å; V150-L153 HydrophobicContact CG1-CD2 3.78Å; V150-L153 HydrophobicContact CG1-CG 3.75Å; L153-R164 WeakPolarHBondContact O-CA 3.17Å; L153-L165 HydrophobicContact CB-CB 4.33Å; L153-L165 PolarHBondContact O-N 3.35Å; L153-Y166 PolarHBondContact N-O 3.27Å | ||
| 154 | Y | 90.2 | Very high | 86.3 | Confident | 150 Ų | 150 | 118.5 Ų | 118.5 | 59% | 0.588 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.2 | 130 | 179.9 | -60.5 | -83.8 | 0 | 0 | 0 | 110.3 | A152 Q163 R164 | A152-Y154 HydrophobicContact CB-CD2 4.36Å; A152-Y154 HydrophobicContact CB-CE2 3.54Å; Y154-Q163 CarbonylContact C-O 3.42Å; Y154-Q163 WeakPolarHBondContact CA-O 3.26Å; Y154-R164 HydrophobicContact CD1-CB 3.93Å; Y154-R164 HydrophobicContact CD1-CG 4.18Å; Y154-R164 HydrophobicContact CE1-CB 3.83Å; Y154-R164 HydrophobicContact CE1-CG 3.82Å |
| 155 | I | 88.9 | Confident | 86.2 | Confident | 56 Ų | 56 | 113.2 Ų | 113.2 | 29% | 0.287 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 131.5 | 165.3 | -66 | -176.8 | 0 | 0 | 0 | 107.7 | I132 P162 Q163 L165 | I132-I155 HydrophobicContact CD1-CD1 3.74Å; I132-I155 HydrophobicContact CG1-CD1 4.3Å; I132-I155 HydrophobicContact CG2-CD1 4.01Å; I155-P162 CarbonylContact O-C 3.58Å; I155-P162 WeakPolarHBondContact O-CA 3.32Å; I155-Q163 PolarHBondContact N-O 2.86Å; I155-Q163 PolarHBondContact O-N 3.22Å; I155-L165 HydrophobicContact CD1-CD1 3.29Å; I155-L165 HydrophobicContact CD1-CD2 4.33Å; I155-L165 HydrophobicContact CD1-CG 3.94Å; I155-L165 HydrophobicContact CG1-CD1 3.69Å; I155-L165 HydrophobicContact CG1-CG 4.15Å |
| 156 | K | 88 | Confident | 85.8 | Confident | 155 Ų | 155 | 112.8 Ų | 112.8 | 67% | 0.674 | 55% | 0.546 | S | S | * | . | trans | -136 | 142.2 | 172 | 66.5 | 179.8 | -173.6 | 175.8 | 0 | 109.9 | P162 | K156-P162 HydrophobicContact CB-CB 4.25Š| ||
| 157 | S | 84.3 | Confident | 85.8 | Confident | 78 Ų | 78 | 114.1 Ų | 114.1 | 55% | 0.545 | 55% | 0.55 | S | S | . | . | trans | -89.4 | 170.9 | 164.4 | 62.3 | 0 | 0 | 0 | 0 | 110 | M159 G160 | S157-M159 PolarHBondContact O-N 2.99Å; S157-G160 WeakPolarHBondContact OG-CA 3.37Å; S157-G160 PolarHBondContact OG-N 3.16Å | ||
| 158 | T | 83 | Confident | 85.7 | Confident | 145 Ų | 145 | 114.4 Ų | 114.4 | 89% | 0.89 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -60.8 | -33.3 | -178.1 | -52.5 | 0 | 0 | 0 | 0 | 113 | ||
| 159 | M | 85.4 | Confident | 85.8 | Confident | 184 Ų | 184 | 111.4 Ų | 111.4 | 91% | 0.906 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -122 | -2.3 | -175.2 | -59.7 | -63.9 | -77.6 | 0 | 0 | 113.5 | S157 | S157-M159 PolarHBondContact O-N 2.99Š|
| 160 | G | 82.8 | Confident | 85.9 | Confident | 36 Ų | 36 | 112.1 Ų | 112.1 | 37% | 0.371 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -98 | 163.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S157 | S157-G160 WeakPolarHBondContact OG-CA 3.37Å; S157-G160 PolarHBondContact OG-N 3.16Å |
| 161 | K | 86.1 | Confident | 85.9 | Confident | 189 Ų | 189 | 118.2 Ų | 118.2 | 82% | 0.822 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 143.1 | 172.9 | -64.4 | -177.7 | -177.7 | 177.7 | 0 | 110 | Q163 | K161-Q163 PolarHBondContact O-N 3.23Š|
| 162 | P | 87 | Confident | 85.9 | Confident | 90 Ų | 90 | 110.5 Ų | 110.5 | 58% | 0.584 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -67 | 131.9 | 175.1 | 27.6 | -32.9 | 0 | 0 | 0 | 110.3 | I155 K156 | I155-P162 CarbonylContact O-C 3.58Å; I155-P162 WeakPolarHBondContact O-CA 3.32Å; K156-P162 HydrophobicContact CB-CB 4.25Å |
| 163 | Q | 87.3 | Confident | 85.8 | Confident | 137 Ų | 137 | 116.5 Ų | 116.5 | 64% | 0.64 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 129.8 | 173 | -67.6 | 178.9 | -25.7 | 0 | 0 | 108.9 | Y154 I155 K161 | Y154-Q163 CarbonylContact C-O 3.42Å; Y154-Q163 WeakPolarHBondContact CA-O 3.26Å; I155-Q163 PolarHBondContact N-O 2.86Å; I155-Q163 PolarHBondContact O-N 3.22Å; K161-Q163 PolarHBondContact O-N 3.23Å |
| 164 | R | 88.1 | Confident | 85.6 | Confident | 152 Ų | 152 | 123.3 Ų | 123.3 | 57% | 0.574 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 125.1 | 177.4 | -174.1 | 176.4 | 174 | -167.8 | -9 | 109.3 | L153 Y154 Y166 | L153-R164 WeakPolarHBondContact O-CA 3.17Å; Y154-R164 HydrophobicContact CD1-CB 3.93Å; Y154-R164 HydrophobicContact CD1-CG 4.18Å; Y154-R164 HydrophobicContact CE1-CB 3.83Å; Y154-R164 HydrophobicContact CE1-CG 3.82Å; R164-Y166 WeakPolarHBondContact CG-O 3.32Å; R164-Y166 VanDerWaalsContact CZ-OXT 3.31Å; R164-Y166 VanDerWaalsContact NE-C 3.26Å; R164-Y166 PolarHBondContact NE-O 2.93Å; R164-Y166 PolarHBondContact NE-OXT 2.96Å; R164-Y166 VanDerWaalsContact NE-OXT 3.08Å; R164-Y166 PolarHBondContact NH2-OXT 3.07Å |
| 165 | L | 83.4 | Confident | 85.2 | Confident | 104 Ų | 104 | 121.1 Ų | 121.1 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | trans | -94.3 | -33.3 | 175.6 | -70.9 | -179.7 | 0 | 0 | 0 | 112.9 | I132 L153 I155 | I132-L165 HydrophobicContact CG2-CD1 4.45Å; L153-L165 HydrophobicContact CB-CB 4.33Å; L153-L165 PolarHBondContact O-N 3.35Å; I155-L165 HydrophobicContact CD1-CD1 3.29Å; I155-L165 HydrophobicContact CD1-CD2 4.33Å; I155-L165 HydrophobicContact CD1-CG 3.94Å; I155-L165 HydrophobicContact CG1-CD1 3.69Å; I155-L165 HydrophobicContact CG1-CG 4.15Å | ||
| 166 | Y | 78 | Confident | 84.8 | Confident | 127 Ų | 127 | 127 Ų | 127 | 50% | 0.498 | 64% | 0.641 | S | S | . | * | trans | -144.3 | 0 | -177.8 | -170.8 | -106.5 | 0 | 0 | 0 | 108.6 | W147 V150 A152 L153 R164 | W147-Y166 HydrophobicContact CE3-CD1 4.47Å; W147-Y166 HydrophobicContact CE3-CE1 4.36Å; W147-Y166 HydrophobicContact CZ3-CD1 4.42Å; W147-Y166 HydrophobicContact CZ3-CG 4.38Å; V150-Y166 HydrophobicContact CG1-CD1 4.24Å; V150-Y166 WeakPolarHBondContact O-CE1 3.47Å; A152-Y166 CarbonylContact C-O 3.59Å; A152-Y166 WeakPolarHBondContact CA-O 3.26Å; A152-Y166 VanDerWaalsContact CB-O 3.26Å; A152-Y166 WeakPolarHBondContact CB-O 3.02Å; L153-Y166 PolarHBondContact N-O 3.27Å; R164-Y166 WeakPolarHBondContact CG-O 3.32Å; R164-Y166 VanDerWaalsContact CZ-OXT 3.31Å; R164-Y166 VanDerWaalsContact NE-C 3.26Å; R164-Y166 PolarHBondContact NE-O 2.93Å; R164-Y166 PolarHBondContact NE-OXT 2.96Å; R164-Y166 VanDerWaalsContact NE-OXT 3.08Å; R164-Y166 PolarHBondContact NH2-OXT 3.07Å |
Retrieved 166 of 166 residues in 153.3 ms
(Link to these results)